*HEADER    METAL BINDING PROTEIN                   13-AUG-06   2I18              
*TITLE     THE REFINED STRUCTURE OF C-TERMINAL DOMAIN OF AN EF-HAND              
*TITLE    2 CALCIUM BINDING PROTEIN FROM ENTAMOEBA HISTOLYTICA                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CALCIUM-BINDING PROTEIN;                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: C-TERMINAL DOMAIN, RESIDUES 71-134;                        
*COMPND   5 SYNONYM: CABP                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ENTAMOEBA HISTOLYTICA;                          
*SOURCE   3 ORGANISM_COMMON: PROTOZOA                                            
*KEYWDS    BETA SHEET, ALPHA HELIX, CALCIUM BINDING LOOPS                        
*EXPDTA    NMR, 16 STRUCTURES                                                    
*AUTHOR    S.M.MUSTAFI, S.MUKHERJEE, K.V.R CHARY                                 
*REVDAT   2   19-SEP-06 2I18    1
*REVDAT   1   22-AUG-06 2I18    0 
1 SER 
        HN      1 SER  QB      4.05
        HN      2 ASP- HN      4.00
        HA      2 ASP- HN      4.00
        O       5 ILE  N       3.00 
        O       5 ILE  HN      2.00
  2 ASP-
        HA      5 ILE  HB      4.50
        HN      3 ASP- HN      3.50 
        HN      2 ASP- HA      3.50   # peak   1500
        HN      2 ASP- HB2     4.00   # peak   2003
        HN      2 ASP- HB3     4.00   # peak   2013
        HA      3 ASP- HN      3.70   # peak   1356
        HB2     5 ILE  HN      4.50   # peak   2129#changed from 4.00
  3 ASP-
        HN      4 LYS+ HN      3.50 
        HN      3 ASP- HA      3.50   # peak   1347
        HN      3 ASP- QB      4.50   # peak   1974
        HA      4 LYS+ HN      3.50   # peak   1624
        QB      4 LYS+ HN      4.34   # peak   2152
  4 LYS+
        HN      4 LYS+ HA      3.50
        HN      4 LYS+ HB2     4.00
        HN      4 LYS+ HB3     4.00
        HN      4 LYS+ QG      5.73
        HN      4 LYS+ QD      5.54
        HN      5 ILE  HN      3.11
        HA      5 ILE  HN      3.51
        HA      7 LEU  QB      4.50
        QB      8 LYS+ HN      5.79
        QB     60 LEU  HG      4.70
        O       8 LYS+ N       3.00
        O       8 LYS+ HN      2.00
  5 ILE 
        HN      5 ILE  HA      3.50
        HN      5 ILE  HB      4.00
        HN      5 ILE  QG1     5.50
        HN      5 ILE  QD1     6.00
        HN      6 GLY  HN      3.20
        HA      6 GLY  HN      3.50
        HA      8 LYS+ QB      4.50
        HB      6 GLY  HN      4.01
        O       9 VAL  N       3.00
        O       9 VAL  HN      2.00
  6 GLY  
        HN      6 GLY  QA      3.50
        HN      7 LEU  HN      3.30
        HN      8 LYS+ HN      5.50
        QA      7 LEU  HN      3.50
        QA      9 VAL  HB      4.50
        O      10 LEU  N       3.00
        O      10 LEU  HN      2.00
  7 LEU 
        QD2     8 LYS+ HN      5.50 
        QD1     8 LYS+ HN      6.03 
        HN      7 LEU  HA      3.50
        HN      7 LEU  HB2     4.00
        HN      7 LEU  HB3     4.00
        HN      7 LEU  HG      4.50
        HN      7 LEU  QD1     5.00
        HN      7 LEU  QD2     5.00
        HN      8 LYS+ HN      3.11 
        HA      8 LYS+ HN      3.51
        HA     10 LEU  HN      4.00
        HA     10 LEU  QB      4.50
        HA     11 TYR  HN      5.50 
        QB      8 LYS+ HN      4.88
        HG      8 LYS+ HN      5.50
        HG     31 PHE  HZ      6.00 
        O      11 TYR  N       3.00
        O      11 TYR  HN      2.00
  8 LYS+
        O      12 LYS+ HN      2.00
        O      12 LYS+ N       3.00
        HA     11 TYR  QB      4.50
        HN      8 LYS+ QG      4.50 
        HN      8 LYS+ HA      3.53   # peak   1790
        HN      8 LYS+ QB      3.83   # peak   2315
        HN      9 VAL  HN      3.14   # peak    336
        HA      9 VAL  HN      3.54   # peak   1789
        HA     11 TYR  HN      4.00   # peak   1793
        QB      9 VAL  HN      4.11   # peak   2316
  9 VAL 
        HN      9 VAL  QG2     6.06
        HN      9 VAL  HA      3.59
        HN      9 VAL  HB      3.89
        HN     10 LEU  HN      3.05
        HA     10 LEU  HN      3.55
        HA     12 LYS+ HN      4.00
        HA     12 LYS+ QB      4.50
        HA     13 LEU  HN      5.50 
        HB     10 LEU  HN      3.02
        QG1    10 LEU  HN      3.86
        QG1    12 LYS+ HN      6.00
        O      13 LEU  N       3.00
        O      13 LEU  HN      2.00
  10 LEU 
        HB2    12 LYS+ HN      4.70    
        HN     10 LEU  HA      3.50
        HN     10 LEU  HB2     4.00
        HN     10 LEU  HB3     4.00
        HN     10 LEU  HG      5.00
        HN     11 TYR  HN      3.51
        HA     11 TYR  HN      3.51
        HA     13 LEU  QB      4.50
        HB2    11 TYR  HN      3.30
        HB3    11 TYR  HN      3.30
        QB     11 TYR  HN      2.83
        HG     13 LEU  HN      5.50
        O      14 MET  N       3.00 
        O      14 MET  HN      2.00
  11 TYR 
        QB     13 LEU  HN      5.50   
        QD     12 LYS+ HN      7.64
 #      HB3    12 LYS+ HN      4.00 
 #      HB2    12 LYS+ HN      2.90  
        HN     11 TYR  HA      3.59
        HN     11 TYR  QB      4.09
        HN     12 LYS+ HN      2.99
        HA     12 LYS+ HN      3.50
        HA     14 MET  QB      4.50
        QB     12 LYS+ HN      3.58
        QB     13 LEU  HN      5.38
 12 LYS+ 
        QD     13 LEU  HN      5.38  
        HN     12 LYS+ HA      3.00
        HN     12 LYS+ QB      3.80
        HN     12 LYS+ QG      5.00
        HN     12 LYS+ QD      6.00
        HN     13 LEU  HN      2.68
        HA     13 LEU  HN      3.50
        HA     15 ASP- HN      4.50
        QB     13 LEU  HN      5.38
        QG     13 LEU  HN      6.31
        QD     14 MET  HN      5.25
 13 LEU 
        QD2    14 MET  HN      4.92 
        QD1    15 ASP- HN      6.00 
 #      HB2    14 MET  HN      4.00  
        HN     13 LEU  HA      3.50
        HN     13 LEU  QB      4.05
        HN     13 LEU  HG      5.05
        HN     13 LEU  QD1     6.00
        HN     13 LEU  QD2     6.00
        HN     13 LEU  QQD     5.60
        HN     14 MET  HN      3.40
        HA     14 MET  HN      4.00
        QB     14 MET  HN      5.38
 14 MET 
#       HB2    15 ASP- HN      4.48  
        HN     14 MET  HA      3.50
        HN     14 MET  QB      4.02
        HN     14 MET  QG      5.00
        HA     15 ASP- HN      4.03 
        QB     15 ASP- HN      4.53
        QG     15 ASP- HN      4.83
 15 ASP- 
        HN     15 ASP- HA      3.52
 #      HN     15 ASP- QB      3.69
        HN     16 VAL  HN      4.20
        HA     16 VAL  HN      4.00
        HB2    16 VAL  HN      4.50
        HB3    16 VAL  HN      4.50
        CG     20 GLY  HN      3.00
 16 VAL 
 #      QG2    17 ASP- HN      4.30 
        HN     16 VAL  QG1     3.43 
        HN     16 VAL  HA      3.50
        HN     16 VAL  HB      4.00 
        HN     16 VAL  QQG     5.00
        HN     17 ASP- HN      4.20
        HA     17 ASP- HN      3.50
        HB     17 ASP- HN      4.50
        QQG    17 ASP- HN      5.50
 17 ASP- 
        HN     17 ASP- HA      3.50
        HN     17 ASP- QB      4.00
        HN     18 GLY  HN      4.00
        HA     18 GLY  HN      4.00 
        QB     18 GLY  HN      4.50
 18 GLY 
        HN     18 GLY  QA      3.50
        HN     19 ASP- HN      4.00 
        HN     20 GLY  HN      4.50 
        QA     19 ASP- HN      4.00
        QA     20 GLY  HN      5.00
 19 ASP-
#       HN     20 GLY  HA2     4.42  
        HN     21 LYS+ HN      6.00
#       HB3    20 GLY  HN      5.50  
        HN     19 ASP- HA      3.50
        HN     19 ASP- HB2     4.17
        HN     19 ASP- HB3     4.17
        HN     19 ASP- QB      3.75
        HN     20 GLY  HN      4.00
        HA     20 GLY  HN      4.50
        QB     20 GLY  HN      5.00
 20 GLY 
        HN     21 LYS+ QB      6.38  
        HN     21 LYS+ HA      4.80 
        HN     20 GLY  HA2     2.85 
        HN     20 GLY  HA1     2.80 
        HN     20 GLY  QA      3.00
        HN     21 LYS+ HN      4.50
        QA     21 LYS+ HN      4.00
 21 LYS+ 
        HN     21 LYS+ HA      3.60
        HN     21 LYS+ QB      4.50
        HN     21 LYS+ QG      5.60
        HN     21 LYS+ QD      5.38
        HA     22 LEU  HN      4.00
        HA     55 THR  HA      2.20
        HA     55 THR  HN      4.70
        HA     22 LEU  HN      2.50
        HN     22 LEU  HN      4.70
        QB     22 LEU  HN      5.00
      # QB     22 LEU  HN      4.50
        QB     54 ILE  HN      6.50
        QB     55 THR  HA      4.50
        QB     55 THR  HB      4.50
 22 LEU 
        HG     23 THR  HN      5.50 
        HA     26 GLU- HN      6.70 
        HA     24 LYS+ HN      6.50
        HN     54 ILE  QG1     6.38 
        HN     53 TYR  HB2     6.00 
        HN     53 TYR  HN      6.50 # modified from 7.50 
        N      54 ILE  O       3.00
        HN     54 ILE  O       2.00
        HN     22 LEU  HG      5.00
        HN     22 LEU  QD1     6.00
        HN     22 LEU  QD2     6.00
        HN     22 LEU  QQD     5.54
        HN     22 LEU  HA      3.00
        HN     54 ILE  HN      3.50
        HN     55 THR  HA      3.70
        HA     23 THR  HN      2.50
        HN     23 THR  HN      4.70
        QD1    23 THR  HN      6.50
        QD2    23 THR  HN      6.50
        O      54 ILE  N       3.00
        O      54 ILE  HN      2.00
 23 THR 
        QG2    26 GLU- HN      6.85
        QG2    24 LYS+ HN      5.00 
        HB     26 GLU- HN      5.94
        HB     24 LYS+ HN      2.77 
        HN     26 GLU- HN      4.36 
        HN     23 THR  QG2     4.00 
        HN     23 THR  HA      3.20
        HN     23 THR  HB      5.00
        HA     53 TYR  HA      2.20
        HA     53 TYR  HN      4.70
        HA     54 ILE  HN      3.70
        OG1    26 GLU- HN      2.10
 24 LYS+ 
        HN     24 LYS+ HA      3.45
        HN     24 LYS+ QB      4.45
        HN     24 LYS+ QG      5.45
        HN     25 GLU- HN      3.42
        HA     25 GLU- HN      3.50
        HA     26 GLU- HN      5.50
        HA     27 VAL  HN      4.00
        HA     27 VAL  HB      4.50
        QB     25 GLU- HN      4.00
        QG     25 GLU- HN      4.56
        O      28 THR  N       3.00
        O      28 THR  HN      2.00
 25 GLU-
        HN     25 GLU- HA      3.20
        HN     25 GLU- QB      4.00
        HN     25 GLU- HG2     5.20
        HN     25 GLU- HG3     5.20
        HN     25 GLU- QG      5.23
        HN     26 GLU- HN      3.11
        HA     26 GLU- HN      3.71
        HA     28 THR  HN      4.00
        HA     28 THR  HB      4.20
        QB     26 GLU- HN      4.12
        O      29 SER  N       3.00
        O      29 SER  HN      2.00
 26 GLU- 
        HN     26 GLU- HA      2.74
        HN     26 GLU- HB2     4.00
        HN     26 GLU- HB3     4.00
        HN     26 GLU- QB      3.65
        HN     26 GLU- QG      4.50
        HN     27 VAL  HN      2.99
        HA     27 VAL  HN      3.50
        HA     29 SER  QB      4.50
        HB2    27 VAL  HN      4.00
        HB3    27 VAL  HN      4.00
        QB     27 VAL  HN      3.78
        QG     27 VAL  HN      4.39
        O      30 PHE  N       3.00
        O      30 PHE  HN      2.00
 27 VAL  
        HN     27 VAL  HA      3.50
        HN     27 VAL  HB      4.00
        HN     27 VAL  QG1     4.17
        HN     27 VAL  QG2     4.17
        HN     27 VAL  QQG     3.57
        HN     28 THR  HN      2.76#chnaged from 2.66
        HA     28 THR  HN      3.46
        HA     30 PHE  HN      4.04
        HA     30 PHE  QB      4.50
        HB     28 THR  HN      4.00
        HB     43 VAL  QQG     6.20
        QG1    28 THR  HN      5.06
        QG1    31 PHE  HN      5.73
        QG2    28 THR  HN      5.04
        QG2    31 PHE  HN      6.00
        QQG    39 VAL  QQG     5.40
        O      31 PHE  N       3.00
        O      31 PHE  HN      2.00
 28 THR 
        HB     31 PHE  HN      5.40   
        HN     28 THR  HA      3.52
        HN     28 THR  HB      3.02
        HN     28 THR  QG2     4.36
        HN     29 SER  HN      3.50
        HA     29 SER  HN      3.50
        HA     30 PHE  HN      5.50
        HA     31 PHE  QB      4.50
        QG2    29 SER  HN      4.76
        O      32 LYS+ N       3.00
        O      32 LYS+ HN      2.00
 29 SER 
        HA     32 LYS+ QB      4.50 
        HN     29 SER  HA      3.48   # peak   3016
        HN     29 SER  QB      3.68   # peak   3017
        HN     30 PHE  HN      2.90   # peak    196
        HN     31 PHE  HN      4.23   # peak    374
        HA     30 PHE  HN      3.50   # peak   3018
        QB     30 PHE  HN      4.33   # peak   3019
 30 PHE 
        HN     30 PHE  HA      3.50
        HN     30 PHE  HB2     4.00
        HN     30 PHE  HB3     4.00
        HN     30 PHE  QB      3.65
        HN     31 PHE  HN      3.10
        HN     32 LYS+ HN      4.32
        HA     31 PHE  HN      3.50
        HB2    31 PHE  HN      4.00
        HB3    31 PHE  HN      4.00
        QB     31 PHE  HN      3.65
 31 PHE 
        HN     31 PHE  HA      2.80
        HN     31 PHE  HB2     4.00
        HN     31 PHE  HB3     4.00
        HN     31 PHE  QB      3.35
        HN     32 LYS+ HN      3.00
        HA     32 LYS+ HN      4.00
        HA     34 HIS  QB      5.80
        QB     34 HIS  QB      6.00
        HZ     59 PHE  HZ      6.00
 32 LYS+ 
        HN     32 LYS+ HA      2.68
        HN     32 LYS+ QB      3.77
        HN     32 LYS+ QG      4.50
        HN     33 LYS+ HN      2.86
        HN     34 HIS  HN      4.30
 #      HA     34 HIS  HN      4.00
        QB     33 LYS+ HN      3.93
        QB     34 HIS  HN      5.50
 33 LYS+ 
        HN     33 LYS+ HA      3.20
        HN     33 LYS+ HB2     4.00
        HN     33 LYS+ HB3     4.00
        HN     33 LYS+ QB      3.45
        HN     33 LYS+ QG      6.08
        HN     34 HIS  HN      3.09
 #      HA     35 GLY  HN      5.00
        HB2    34 HIS  HN      4.00
        HB3    34 HIS  HN      4.00
        QB     34 HIS  HN      3.72
        QG     34 HIS  HN      5.59
 34 HIS 
#       HA     37 GLU- HN      5.30  
        HN     34 HIS  HA      3.50
        HN     35 GLY  HN      4.50
        HN     36 ILE  HN      5.31
#       HA     36 ILE  HN      4.72
        HB2    35 GLY  HN      5.50
        HB2    36 ILE  HN      4.82
        HB3    35 GLY  HN      5.50
        HB3    36 ILE  HN      4.82
        QB     35 GLY  HN      4.17
        QB     36 ILE  HN      3.80
 35 GLY 
#       HA2    37 GLU- HN      4.50 
        HA1    36 ILE  HN      4.00 
        HN     35 GLY  HA2     3.08
        HN     35 GLY  HA1     3.21 
        HN     35 GLY  QA      3.63
        HN     36 ILE  HN      2.73
        QA     37 GLU- QB      6.20
 36 ILE 
        HN     36 ILE  HA      3.51
        HN     36 ILE  HB      4.01
        HN     36 ILE  QG2     4.57
        HN     36 ILE  QG1     4.95
        HN     37 GLU- HN      4.00
        HA     37 GLU- HN      3.50
        HA     40 ALA  HN      6.00
        HA     39 VAL  HB      4.20 
        HA     39 VAL  HN      4.50
        HN     38 LYS+ HN      6.00
        HB     39 VAL  HN      6.00
 #      QG1    38 LYS+ HN      4.76
   
 37 GLU- 
        HN     37 GLU- HA      3.53
        HN     37 GLU- QB      4.03
        HN     37 GLU- QG      3.93
        HN     38 LYS+ HN      3.50
        HN     39 VAL  HN      5.38
        HA     38 LYS+ HN      3.70
        HA     40 ALA  HN      4.50
        HA     40 ALA  QB      4.20
        HA     41 GLU- HN      6.00
    
 38 LYS+ 
        HN     38 LYS+ HA      3.50
        HN     38 LYS+ QB      4.20
        HN     38 LYS+ QG      5.00
        HN     39 VAL  HN      3.73
        HA     39 VAL  HN      3.59
 #      HA     40 ALA  HN      4.45
        HA     42 GLN  HN      5.50
        HA     41 GLU- HN      4.48
        HA     41 GLU- QB      4.50
        QB     39 VAL  HN      4.89
        QG     39 VAL  HN      4.14
        O      42 GLN  N       3.00
        O      42 GLN  HN      2.00
 39 VAL 
        QG2    43 VAL  HN      6.50
        QG2    42 GLN  HN      6.00 
        HN     39 VAL  HA      3.50
        HN     39 VAL  HB      4.00
        HN     39 VAL  QG1     4.79
        HN     39 VAL  QG2     4.79
        HN     39 VAL  QQG     3.90
        HN     40 ALA  HN      3.40
        HA     40 ALA  HN      3.60
        HA     42 GLN  HN      3.30
        HA     42 GLN  QB      4.50
        QG1    40 ALA  HN      6.00
        QG2    40 ALA  HN      6.00
        O      43 VAL  N       3.00
        O      43 VAL  HN      2.00
 40 ALA  
        HN     40 ALA  HA      3.54
        HN     40 ALA  QB      4.50
        HN     41 GLU- HN      2.74
        HA     41 GLU- HN      3.50
        HA     43 VAL  HN      4.00
        HA     43 VAL  HB      4.50
        HA     44 MET  HN      5.50
        QB     41 GLU- HN      3.80
        QB     42 GLN  HN      5.60
        QB     43 VAL  HN      6.00
        O      44 MET  N       3.00
        O      44 MET  HN      2.00
 41 GLU- 
        HN     41 GLU- HA      3.53
        HN     41 GLU- HB2     2.83
        HN     41 GLU- HB3     2.83
        HN     41 GLU- QB      2.49
        HN     42 GLN  HN      2.82
        HA     42 GLN  HN      3.52
        HA     44 MET  HN      3.39
        HA     44 MET  QB      4.50
        O      45 LYS+ N       3.00
        O      45 LYS+ HN      2.00
 42 GLN 
        HN     44 MET  HN      4.29  
        HN     42 GLN  HA      3.50
        HN     42 GLN  QB      4.00
        HN     42 GLN  QG      4.50
        HN     43 VAL  HN      3.00
        HA     43 VAL  HN      3.50
        HA     45 LYS+ QB      4.50
        QG     43 VAL  HN      5.50
        O      46 ALA  N       3.00
        O      46 ALA  HN      2.00
 43 VAL 
        QG1    45 LYS+ HN      6.53  
        HN     43 VAL  HA      3.50
        HN     43 VAL  HB      4.00
        HN     43 VAL  QQG     4.21
        HN     44 MET  HN      2.74
        HN     45 LYS+ HN      5.50
        HA     44 MET  HN      3.54
        HA     45 LYS+ HN      4.42
        HA     46 ALA  HN      4.11
        HA     46 ALA  QB      4.50
        QG1    44 MET  HN      5.66
        QG2    44 MET  HN      5.66
        QQG    44 MET  HN      5.03
 44 MET  
        HN     44 MET  HA      3.50
        HN     44 MET  HB2     4.00
        HN     44 MET  HB3     4.00
        HN     44 MET  QB      3.64
        HN     44 MET  QG      4.30
        HN     45 LYS+ HN      3.21
        HA     45 LYS+ HN      3.51
        HA     46 ALA  HN      4.32
        QG     45 LYS+ HN      6.38
 45 LYS+
        QB     48 ALA  HN      6.26 
        QG     46 ALA  HN      6.38 
        HN     45 LYS+ HA      3.49
        HN     45 LYS+ QB      3.79
        HN     45 LYS+ QG      4.09
        HN     45 LYS+ QD      5.07
        HN     46 ALA  HN      2.80
        HA     46 ALA  HN      3.50
        HA     47 ASP- HN      4.69
        QB     46 ALA  HN      3.93
 46 ALA  
        HN     46 ALA  HA      3.55
        HN     46 ALA  QB      3.55
        HN     47 ASP- HN      2.99
        HA     47 ASP- HN      3.59
        QB     47 ASP- HN      4.50
 47 ASP-
        QB     50 GLY  HN      5.50 
 #      HB2    48 ALA  HN      4.42 
        HA     50 GLY  HN      5.04 
#       HN     47 ASP- HB2     3.59  
        HN     47 ASP- HA      3.50
        HN     47 ASP- QB      3.80
        HN     48 ALA  HN      4.05
        HA     48 ALA  HN      4.50
        HA     49 ASN  HN      4.51
        QB     48 ALA  HN      5.00
        CG     52 GLY  HN      3.00
 48 ALA  
        HN     48 ALA  HA      3.00
        HN     48 ALA  QB      4.00
        HN     49 ASN  HN      4.00#relaxed from 3.50
        HA     49 ASN  HN      4.02
        HA     50 GLY  HN      4.50#relaexed from 4.00
        QB     49 ASN  HN      4.00
 49 ASN 
        HN     49 ASN  HA      3.08
        HN     49 ASN  QB      3.17
        HN     50 GLY  HN      3.50
        HA     50 GLY  HN      4.00
        QB     50 GLY  HN      4.00
 50 GLY  
        HN     50 GLY  QA      3.00
        HN     51 ASP- HN      4.00
        HN     52 GLY  HN      4.80#relaxed from 4.50
        QA     51 ASP- HN      3.50
        QA     52 GLY  HN      5.00
 51 ASP-
        HN     53 TYR HN       5.70
        HN     51 ASP- HA      3.00
        HN     51 ASP- QB      3.50
        HN     52 GLY  HN      3.00
        HA     52 GLY  HN      3.50
        QB     52 GLY  HN      4.30
 52 GLY 
        QA     55 THR  HN      6.34   
        HN     52 GLY  QA      2.70
        HN     53 TYR  HN      4.00
        QA     53 TYR  HN      3.60
 53 TYR 
        HN     53 TYR  HA      3.20
        HN     53 TYR  QB      4.00
        HN     54 ILE  HN      4.70
        HA     54 ILE  HN      2.50
        QB     54 ILE  HN      5.00
 54 ILE 
        QG2    59 PHE  HN      6.09  
        QG2    58 GLU- HN      6.50 
        HN     54 ILE  HA      3.20
        HN     54 ILE  HB      4.00
        HN     54 ILE  QG1     5.00
        HN     54 ILE  QD1     6.00
        HA     54 ILE  HB      3.50
        HN     55 THR  HN      4.70
        HA     55 THR  HN      2.50
        HB     54 ILE  QD1     3.00
        HB     55 THR  HN      5.00
        QG2    55 THR  HN      5.72
        QG1    55 THR  HN      4.93
        QD1    55 THR  HN      5.70
        QD1    55 THR  HN      5.50
 55 THR 
        QG2    58 GLU- HN      5.50 
        HA     58 GLU- HN      4.50 
        HA     57 GLU- HN      4.00   
        HN     59 PHE  HN      4.54 
        HN     58 GLU- HN      3.58  
        HN     55 THR  HA      3.20
        HN     55 THR  HB      4.00
        HA     56 LEU  HN      3.50
        HB     56 LEU  HN      4.50
        OG1    58 GLU- HN      2.10
 56 LEU 
        QD2    59 PHE  HN      6.30 
        HB3    59 PHE  HN      5.20  
        HN     56 LEU  HA      3.46
        HN     56 LEU  QB      3.86
        HN     56 LEU  HG      4.86
        HN     56 LEU  QD1     6.00
        HN     56 LEU  QD2     6.00
        HN     56 LEU  QQD     5.34
        HN     57 GLU- HN      3.08
        HA     57 GLU- HN      3.58
        HA     59 PHE  QB      4.50
        HB2    57 GLU- HN      4.50
        HB3    57 GLU- HN      4.50
        QB     57 GLU- HN      4.26
        QD1    57 GLU- HN      5.70
        QD2    57 GLU- HN      5.70
        QQD    57 GLU- HN      5.31
        O      60 LEU  N       3.00
        O      60 LEU  HN      2.00
 57 GLU-
        HN     60 LEU  HN      6.00
        QG     59 PHE  HN      4.30
        HB2    59 PHE  HN      4.91
        HG3    58 GLU- HN      5.50 
        HB3    58 GLU- HN      4.00  
        HN     57 GLU- HA      3.50
        HN     57 GLU- HB2     3.50
        HN     57 GLU- HB3     3.50
        HN     57 GLU- HG2     5.50
        HN     57 GLU- HG3     5.50
        HN     57 GLU- QG      5.30
        HN     58 GLU- HN      3.14
        HA     58 GLU- HN      3.54
        HA     60 LEU  HN      4.00
        HA     60 LEU  QB      4.50
        QG     58 GLU- HN      6.18
        O      61 GLU- N       3.00
        O      61 GLU- HN      2.00
 58 GLU-
        HB2    59 PHE  HN      4.91 
        HN     58 GLU- HA      3.50
        HN     58 GLU- HB2     4.00
        HN     58 GLU- HB3     4.00
        HN     58 GLU- QB      3.65
        HN     58 GLU- QG      4.50
        HN     59 PHE  HN      3.00
        HN     60 LEU  HN      5.50
        HA     59 PHE  HN      3.50
        HA     61 GLU- QB      4.50
        QG     59 PHE  HN      4.30
        O      62 PHE  N       3.00
        O      62 PHE  HN      2.00
 59 PHE 
        HN     59 PHE  HA      3.50
        HN     59 PHE  HB2     4.00
        HN     59 PHE  HB3     4.00
        HN     59 PHE  QB      3.55
        HN     60 LEU  HN      3.14
        HA     60 LEU  HN      3.54
        HA     62 PHE  HN      4.45
        HA     62 PHE  QB      4.50
 60 LEU 
        HN     60 LEU  HB2     4.00
        HN     60 LEU  HB3     4.00
        HN     60 LEU  QB      3.65
        HN     60 LEU  HG      4.50
        HN     61 GLU- HN      3.02
        HA     63 SER  QB      4.50
        QB     61 GLU- HN      4.88
        HG     61 GLU- HN      4.32
 61 GLU- 
        HN     61 GLU- HA      3.55
        HN     61 GLU- HB2     4.05
        HN     61 GLU- HB3     4.05
        HN     61 GLU- QG      5.48
        HN     62 PHE  HN      3.00
        HA     62 PHE  HN      3.50
        HA     64 LEU  QB      4.50
        HB2    62 PHE  HN      3.89
        HB3    62 PHE  HN      3.89
        QB     62 PHE  HN      3.59
 62 PHE 
        QB     63 SER  HN      4.70 
        HN     62 PHE  HA      3.32
        HN     62 PHE  QB      3.82
        HN     63 SER  HN      3.30
        HA     63 SER  HN      3.52
 63 SER 
        QB     64 LEU  HN      4.70  
        HN     63 SER  HA      2.80
        HN     63 SER  QB      3.50
        HN     64 LEU  HN      3.76
        HA     64 LEU  HN      3.50
 64 LEU  
        HN     64 LEU  HA      3.50
        HN     64 LEU  HB2     4.00
        HN     64 LEU  HB3     4.00
        HN     64 LEU  HG      5.14
        HN     64 LEU  QD1     6.00
        HN     64 LEU  QD2     6.00
11 TYR
        QD      11      TYR     HA      5.500000# peak 0000
        QD      11      TYR     QB      4.500000# peak 0000
        QD      54      ILE     QG2     5.500000# peak 0000
        QD      22      LEU     QQD     6.000000# peak 0000

 11 TYR
       QE       55      THR     HA      6.000000# peak 0000
       QE       54      ILE     HB      6.500000# peak 0000
       QE       54      ILE     QG2     4.500000# peak 0000
       QE       22      LEU     QQD     5.000000# peak 0000

 53 TYR
       QD       53      TYR     HA      4.500000# peak 0000 
       QD       55      THR     HA      6.000000# peak 0000
       QD       23      THR     HA      4.500000# peak 0000
       QD       21      LYS+    HA      5.500000# peak 0000
       QD       53      TYR     QB      4.500000# peak 0000
       QD       55      THR     QG2     4.500000# peak 0000
       QD       23      THR     QG2     4.500000# peak 0000
 31 PHE
       QD       31      PHE     HA      5.000000# peak 0000
       QD       31      PHE     QB      4.500000# peak 0000 
       QD       36      ILE     HB      6.000000# peak 0000
       QD       36      ILE     QG1     6.500000# peak 0000 
       QD       39      VAL     HB      4.500000# peak 0000 
       QD       39      VAL     QQG     6.700000# peak 0000
       QD       27      VAL     QQG     4.700000# peak 0000 
#HYDROGEN BOND CONSTRAINTS OF THE LOOP WHERE  KEPT RELAXED
15 ASP-
       OD1      18      GLY     N       4.300
       OD1      18      GLY     HN      3.300
 15 ASP-
       OD1      19      ASP-    N       4.300
       OD1      19      ASP-    HN      3.300
 15 ASP-
       OD2      20      GLY     N       4.300    
       OD2      20      GLY     HN      3.300    
 
 26 GLU-
 #     OE1      16      VAL     N       4.300
 #     OE1      16      VAL     HN      3.300

 26 GLU-
 #      OE1     17      ASP-    N       4.300
 #      OE1     17      ASP-    HN      3.300
 47 ASP-
        OD1     50      GLY     N       4.300
        OD1     50      GLY     HN      3.300
 47 ASP-
        OD1     51      ASP-    N       4.300
        OD1     51      ASP-    HN      3.300
 47 ASP-
        OD2     52      GLY     N       4.300    
        OD2     52      GLY     HN      3.300
#Origin between the tensors are kept at 0.350 A apart
 106 LTNS
         ME    136      LTNS    ME      0.350
         ME    166      LTNS    ME      0.350
         ME    196      LTNS    ME      0.350 
         ME    226      LTNS    ME      0.350
         ME     96      LTNS    ME      0.350
 136 LTNS 
         ME    166      LTNS    ME      0.350
         ME    196      LTNS    ME      0.350 
         ME    226      LTNS    ME      0.350
         ME     96      LTNS    ME      0.350
 166 LTNS
         ME    196      LTNS    ME      0.350 
         ME    226      LTNS    ME      0.350
         ME     96      LTNS    ME      0.350
 196 LTNS
         ME    226      LTNS    ME      0.350
         ME     96      LTNS    ME      0.350  
 226 LTNS
         ME     96      LTNS    ME      0.350

# PCS constraints in FANTASIAN FORMAT
# Ce3+ ion
   1 SER  N       0.00      1   0.05    1.000
   2 ASP  N       0.00      1   0.05    1.000
   3 ASP  N       0.00      1   0.05    1.000
   4 LYS  N       0.00      1   0.05    1.000
   5 ILE  N       0.00      1   0.05    1.000
   6 GLY  N       0.00      1   0.05    1.000
   7 LEU  N       0.00      1   0.05    1.000
   8 LYS  N       0.01      1   0.05    1.000
   9 VAL  N       0.01      1   0.05    1.000
  10 LEU  N       0.00      1   0.05    1.000
  11 TYR  N       0.02      1   0.05    1.000
  12 LYS  N       0.03      1   0.05    1.000
  13 LEU  N       0.00      1   0.00   -1.000
  14 MET  N       0.00      1   0.00   -1.000
  15 ASP  N       0.00      1   0.00   -1.000
  16 VAL  N       0.56      1   0.25    1.000#Large tolerance used because of contact shifts
  17 ASP  N       0.00      1   0.00   -1.000
  18 GLY  N       0.00      1   0.00   -1.000
  19 ASP  N       0.00      1   0.00   -1.000
  20 GLY  N       0.00      1   0.00   -1.000
  21 LYS  N       0.00      1   0.00   -1.000
  22 LEU  N       0.00      1   0.00   -1.000
  23 THR  N      -0.75      1   0.25    1.000#Large tolerance used because of contact shifts
  24 LYS  N       0.00      1   0.00   -1.000
  25 GLU  N       0.00      1   0.05   -1.000
  26 GLU  N      -0.45      1   0.05    1.000
  27 VAL  N      -0.30      1   0.05    1.000
  28 THR  N      -0.19      1   0.05    1.000
  29 SER  N       0.00      1   0.05   -1.000
  30 PHE  N       0.00      1   0.05   -1.000
  31 PHE  N      -0.55      1   0.05    1.000
  32 LYS  N      -0.08      1   0.05    1.000
  33 LYS  N      -0.25      1   0.05    1.000
  34 HIS  N      -0.20      1   0.05    1.000
  35 GLY  N       0.00      1   0.05    1.000
  36 ILE  N       0.00      1   0.05    1.000
  37 GLU  N       0.00      1   0.05    1.000
  38 LYS  N       0.00      1   0.05    1.000
  39 VAL  N       0.00      1   0.05    1.000
  40 ALA  N       0.00      1   0.05    1.000
  41 GLU  N       0.00      1   0.05    1.000
  42 GLN  N       0.00      1   0.05    1.000
  43 VAL  N       0.00      1   0.05    1.000
  44 MET  N      -0.03      1   0.05    1.000
  45 LYS  N      -0.04      1   0.05    1.000
  46 ALA  N      -0.05      1   0.05    1.000
  47 ASP  N      -0.11      1   0.05    1.000
  48 ALA  N      -0.19      1   0.05    1.000
  49 ASN  N      -0.12      1   0.05    1.000
  50 GLY  N      -0.11      1   0.05    1.000
  51 ASP  N       0.00      1   0.05   -1.000
  52 GLY  N      -0.19      1   0.05    1.000
  53 TYR  N      -0.47      1   0.05    1.000
  54 ILE  N      -0.67      1   0.05    1.000
  55 THR  N       0.00      1   0.05   -1.000
  56 LEU  N       0.00      1   0.05   -1.000
  57 GLU  N       0.01      1   0.05    1.000
  58 GLU  N       0.00      1   0.05    1.000
  59 PHE  N       0.00      1   0.05    1.000
  60 LEU  N       0.00      1   0.05    1.000
  61 GLU  N       0.00      1   0.05    1.000
  62 PHE  N       0.00      1   0.05    1.000
  63 SER  N       0.00      1   0.05    1.000
  64 LEU  N       0.00      1   0.05    1.000
   1 SER  H       0.00      1   0.05    1.000
   2 ASP  H       0.00      1   0.05    1.000
   3 ASP  H       0.00      1   0.05    1.000
   4 LYS  H       0.00      1   0.05    1.000
   5 ILE  H       0.00      1   0.05    1.000
   6 GLY  H       0.00      1   0.05    1.000
   7 LEU  H       0.00      1   0.05    1.000
   8 LYS  H       0.01      1   0.05    1.000
   9 VAL  H       0.01      1   0.05    1.000
  10 LEU  H       0.00      1   0.05    1.000
  11 TYR  H       0.02      1   0.05    1.000
  12 LYS  H       0.02      1   0.05    1.000
  13 LEU  H       0.00      1   0.00   -1.000
  14 MET  H       0.00      1   0.00   -1.000
  15 ASP  H       0.00      1   0.05   -1.000
  16 VAL  H       0.34      1   0.25    1.000#Large tolerances due contact shifts
  17 ASP  H       0.00      1   0.00   -1.000
  18 GLY  H       0.00      1   0.00   -1.000
  19 ASP  H       0.00      1   0.00   -1.000
  20 GLY  H       0.00      1   0.00   -1.000
  21 LYS  H       0.00      1   0.00   -1.000
  22 LEU  H       0.00      1   0.00   -1.000
  23 THR  H      -0.75      1   0.25    1.000# Large tolerances due to contact shifts
  24 LYS  H       0.00      1   0.00   -1.000
  25 GLU  H       0.00      1   0.00   -1.000
  26 GLU  H      -0.30      1   0.05    1.000
  27 VAL  H      -0.30      1   0.05    1.000
  28 THR  H      -0.27      1   0.05    1.000
  29 SER  H       0.00      1   0.05   -1.000
  30 PHE  H       0.00      1   0.05   -1.000
  31 PHE  H      -0.23      1   0.05    1.000
  32 LYS  H      -0.05      1   0.05    1.000
  33 LYS  H      -0.06      1   0.05    1.000
  34 HIS  H      -0.07      1   0.05    1.000
  35 GLY  H       0.00      1   0.05    1.000
  36 ILE  H       0.00      1   0.05    1.000
  37 GLU  H       0.00      1   0.05    1.000
  38 LYS  H       0.00      1   0.05    1.000
  39 VAL  H       0.00      1   0.05    1.000
  40 ALA  H       0.00      1   0.05    1.000
  41 GLU  H       0.00      1   0.05    1.000
  42 GLN  H       0.00      1   0.05    1.000
  43 VAL  H       0.00      1   0.05    1.000
  44 MET  H      -0.03      1   0.05    1.000
  45 LYS  H      -0.05      1   0.05    1.000
  46 ALA  H      -0.08      1   0.05    1.000
  47 ASP  H      -0.07      1   0.05    1.000
  48 ALA  H      -0.23      1   0.05    1.000
  49 ASN  H      -0.15      1   0.08    1.000
  50 GLY  H      -0.08      1   0.05    1.000
  51 ASP  H       0.00      1   0.05   -1.000
  52 GLY  H      -0.20      1   0.05    1.000
  53 TYR  H      -0.54      1   0.05    1.000
  54 ILE  H      -0.67      1   0.05    1.000
  55 THR  H       0.00      1   0.05   -1.000
  56 LEU  H       0.00      1   0.05   -1.000
  57 GLU  H       0.01      1   0.05    1.000
  58 GLU  H       0.00      1   0.05    1.000
  59 PHE  H       0.00      1   0.05    1.000
  60 LEU  H       0.00      1   0.05    1.000
  61 GLU  H       0.00      1   0.05    1.000
  62 PHE  H       0.00      1   0.05    1.000
  63 SER  H       0.00      1   0.05    1.000
  64 LEU  H       0.00      1   0.05    1.000
# Tm3+ ion
   1 SER  N       0.06      1   0.05    1.000
   2 ASP  N       0.15      1   0.05    1.000
   3 ASP  N       0.16      1   0.05    1.000
   4 LYS  N       0.37      1   0.05    1.000
   5 ILE  N       0.32      1   0.05    1.000
   6 GLY  N       0.45      1   0.05    1.000
   7 LEU  N       0.54      1   0.05    1.000
   8 LYS  N       0.60      1   0.05    1.000
   9 VAL  N       0.71      1   0.05    1.000
  10 LEU  N       1.63      1   0.05    1.000
  11 TYR  N       1.40      1   0.05    1.000
  12 LYS  N       0.00      1   0.05   -1.000
  13 LEU  N       0.00      1   0.00   -1.000
  14 MET  N       0.00      1   0.00   -1.000
  15 ASP  N       0.00      1   0.05   -1.000
  16 VAL  N       0.00      1   0.05   -1.000
  17 ASP  N       0.00      1   0.00   -1.000
  18 GLY  N       0.00      1   0.00   -1.000
  19 ASP  N       0.00      1   0.00   -1.000
  20 GLY  N       0.00      1   0.00   -1.000
  21 LYS  N       0.00      1   0.00   -1.000
  22 LEU  N       0.00      1   0.00   -1.000
  23 THR  N       0.00      1   0.05   -1.000
  24 LYS  N       0.00      1   0.00   -1.000
  25 GLU  N       0.00      1   0.00   -1.000
  26 GLU  N       0.00      1   0.05   -1.000
  27 VAL  N       0.00      1   0.05   -1.000
  28 THR  N       0.00      1   0.05   -1.000
  29 SER  N       0.00      1   0.05   -1.000
  30 PHE  N       2.02      1   0.05    1.000
  31 PHE  N       1.75      1   0.05    1.000
  32 LYS  N       1.06      1   0.05    1.000
  33 LYS  N       0.83      1   0.05    1.000
  34 HIS  N       0.82      1   0.05    1.000
  35 GLY  N       0.36      1   0.05    1.000
  36 ILE  N       0.55      1   0.05    1.000
  37 GLU  N       0.78      1   0.05    1.000
  38 LYS  N       0.25      1   0.05    1.000
  39 VAL  N       0.10      1   0.05    1.000
  40 ALA  N       0.00      1   0.05    1.000
  41 GLU  N      -0.11      1   0.05    1.000
  42 GLN  N      -0.15      1   0.05    1.000
  43 VAL  N      -0.23      1   0.05    1.000
  44 MET  N      -0.17      1   0.05    1.000
  45 LYS  N      -0.40      1   0.05    1.000
  46 ALA  N      -0.80      1   0.05    1.000
  47 ASP  N      -0.70      1   0.05    1.000
  48 ALA  N      -0.68      1   0.05    1.000
  49 ASN  N      -0.80      1   0.08    1.000
  50 GLY  N      -0.74      1   0.10    1.000
  51 ASP  N      -0.76      1   0.05    1.000
  52 GLY  N      -1.71      1   0.05    1.000
  53 TYR  N       0.00      1   0.05   -1.000
  54 ILE  N       0.00      1   0.05   -1.000
  55 THR  N       0.00      1   0.05   -1.000
  56 LEU  N       0.00      1   0.05   -1.000
  57 GLU  N       0.40      1   0.05    1.000
  58 GLU  N       0.42      1   0.05    1.000
  59 PHE  N       0.56      1   0.05    1.000
  60 LEU  N       0.53      1   0.05    1.000
  61 GLU  N       0.34      1   0.05    1.000
  62 PHE  N       0.40      1   0.05    1.000
  63 SER  N       0.32      1   0.05    1.000
  64 LEU  N       0.23      1   0.05    1.000
   1 SER  H       0.05      1   0.05    1.000
   2 ASP  H       0.03      1   0.05    1.000
   3 ASP  H       0.21      1   0.05    1.000
   4 LYS  H       0.40      1   0.05    1.000
   5 ILE  H       0.30      1   0.05    1.000
   6 GLY  H       0.34      1   0.05    1.000
   7 LEU  H       0.37      1   0.05    1.000
   8 LYS  H       0.50      1   0.05    1.000
   9 VAL  H       0.53      1   0.05    1.000
  10 LEU  H       1.60      1   0.05    1.000
  11 TYR  H       1.80      1   0.05    1.000
  12 LYS  H       0.00      1   0.05   -1.000
  13 LEU  H       0.00      1   0.00   -1.000
  14 MET  H       0.00      1   0.00   -1.000
  15 ASP  H       0.00      1   0.05   -1.000
  16 VAL  H       0.00      1   0.05   -1.000
  17 ASP  H       0.00      1   0.00   -1.000
  18 GLY  H       0.00      1   0.00   -1.000
  19 ASP  H       0.00      1   0.00   -1.000
  20 GLY  H       0.00      1   0.00   -1.000
  21 LYS  H       0.00      1   0.00   -1.000
  22 LEU  H       0.00      1   0.00   -1.000
  23 THR  H       0.00      1   0.05   -1.000
  24 LYS  H       0.00      1   0.00   -1.000
  25 GLU  H       0.00      1   0.00   -1.000
  26 GLU  H       0.00      1   0.05   -1.000
  27 VAL  H       0.00      1   0.05   -1.000
  28 THR  H       0.00      1   0.05   -1.000
  29 SER  H       0.00      1   0.05   -1.000
  30 PHE  H       1.81      1   0.05    1.000
  31 PHE  H       1.64      1   0.05    1.000
  32 LYS  H       0.91      1   0.05    1.000
  33 LYS  H       0.80      1   0.05    1.000
  34 HIS  H       1.10      1   0.05    1.000
  35 GLY  H       0.16      1   0.05    1.000
  36 ILE  H       0.34      1   0.05    1.000
  37 GLU  H       0.42      1   0.05    1.000
  38 LYS  H       0.14      1   0.05    1.000
  39 VAL  H       0.23      1   0.05    1.000
  40 ALA  H       0.00      1   0.05    1.000
  41 GLU  H      -0.12      1   0.05    1.000
  42 GLN  H      -0.16      1   0.05    1.000
  43 VAL  H      -0.17      1   0.05    1.000
  44 MET  H      -0.38      1   0.05    1.000
  45 LYS  H      -0.27      1   0.05    1.000
  46 ALA  H      -0.52      1   0.05    1.000
  47 ASP  H      -0.60      1   0.05    1.000
  48 ALA  H      -0.48      1   0.05    1.000
  49 ASN  H      -1.10      1   0.08    1.000
  50 GLY  H      -0.74      1   0.10    1.000
  51 ASP  H      -0.90      1   0.05    1.000
  52 GLY  H      -1.56      1   0.05    1.000
  53 TYR  H       0.00      1   0.05   -1.000
  54 ILE  H       0.00      1   0.05   -1.000
  55 THR  H       0.00      1   0.05   -1.000
  56 LEU  H       0.00      1   0.05   -1.000
  57 GLU  H       0.47      1   0.05    1.000
  58 GLU  H       0.38      1   0.05    1.000
  59 PHE  H       0.60      1   0.05    1.000
  60 LEU  H       0.55      1   0.05    1.000
  61 GLU  H       0.30      1   0.05    1.000
  62 PHE  H       0.34      1   0.05    1.000
  63 SER  H       0.25      1   0.05    1.000
  64 LEU  H       0.40      1   0.05    1.000
#Ho3+ ion
   1 SER  N       0.16      1   0.05    1.000
   2 ASP  N       0.10      1   0.05    1.000
   3 ASP  N       0.02      1   0.05    1.000
   4 LYS  N       0.06      1   0.05    1.000
   5 ILE  N       0.20      1   0.05    1.000
   6 GLY  N       0.11      1   0.05    1.000
   7 LEU  N       0.10      1   0.05    1.000
   8 LYS  N       0.35      1   0.05    1.000
   9 VAL  N       0.97      1   0.05    1.000
  10 LEU  N       0.68      1   0.05    1.000
  11 TYR  N       0.67      1   0.05    1.000
  12 LYS  N       0.00      1   0.05   -1.000
  13 LEU  N       0.00      1   0.00   -1.000
  14 MET  N       0.00      1   0.00   -1.000
  15 ASP  N       0.00      1   0.05   -1.000
  16 VAL  N       0.00      1   0.05   -1.000
  17 ASP  N       0.00      1   0.00   -1.000
  18 GLY  N       0.00      1   0.00   -1.000
  19 ASP  N       0.00      1   0.00   -1.000
  20 GLY  N       0.00      1   0.00   -1.000
  21 LYS  N       0.00      1   0.00   -1.000
  22 LEU  N       0.00      1   0.00   -1.000
  23 THR  N       0.00      1   0.05   -1.000
  24 LYS  N       0.00      1   0.00   -1.000
  25 GLU  N       0.00      1   0.00   -1.000
  26 GLU  N       0.00      1   0.05   -1.000
  27 VAL  N       0.00      1   0.05   -1.000
  28 THR  N       0.00      1   0.05   -1.000
  29 SER  N       0.00      1   0.05   -1.000
  30 PHE  N      -1.74      1   0.05    1.000
  31 PHE  N      -1.52      1   0.05    1.000
  32 LYS  N      -1.35      1   0.05    1.000
  33 LYS  N      -0.87      1   0.05    1.000
  34 HIS  N      -0.61      1   0.05    1.000
  35 GLY  N      -0.14      1   0.05    1.000
  36 ILE  N      -0.11      1   0.05    1.000
  37 GLU  N      -0.21      1   0.05    1.000
  38 LYS  N      -0.20      1   0.05    1.000
  39 VAL  N      -0.10      1   0.05    1.000
  40 ALA  N      -0.10      1   0.05    1.000
  41 GLU  N       0.10      1   0.05    1.000
  42 GLN  N       0.00      1   0.05   -1.000
  43 VAL  N       0.02      1   0.05    1.000
  44 MET  N       0.00      1   0.05   -1.000
  45 LYS  N      -0.14      1   0.05    1.000
  46 ALA  N       0.00      1   0.05   -1.000
  47 ASP  N      -0.17      1   0.05    1.000
  48 ALA  N      -0.51      1   0.05    1.000
  49 ASN  N      -0.37      1   0.05    1.000
  50 GLY  N       0.10      1   0.05    1.000
  51 ASP  N      -0.19      1   0.05    1.000
  52 GLY  N       0.00      1   0.05   -1.000
  53 TYR  N       0.00      1   0.05   -1.000
  54 ILE  N       0.00      1   0.05   -1.000
  55 THR  N       0.00      1   0.05   -1.000
  56 LEU  N       0.00      1   0.05   -1.000
  57 GLU  N       0.00      1   0.05   -1.000
  58 GLU  N      -0.36      1   0.05    1.000
  59 PHE  N      -0.53      1   0.05    1.000
  60 LEU  N      -0.25      1   0.05    1.000
  61 GLU  N      -0.38      1   0.05    1.000
  62 PHE  N      -0.37      1   0.05    1.000
  63 SER  N       0.35      1   0.05    1.000
  64 LEU  N      -0.18      1   0.05    1.000
   1 SER  H       0.15      1   0.05    1.000
   2 ASP  H       0.06      1   0.05    1.000
   3 ASP  H       0.03      1   0.05    1.000
   4 LYS  H       0.05      1   0.05    1.000
   5 ILE  H       0.20      1   0.05    1.000
   6 GLY  H       0.20      1   0.05    1.000
   7 LEU  H       0.33      1   0.05    1.000
   8 LYS  H       0.24      1   0.05    1.000
   9 VAL  H       1.41      1   0.05    1.000
  10 LEU  H       0.99      1   0.05    1.000
  11 TYR  H       0.77      1   0.05    1.000
  12 LYS  H       0.00      1   0.05   -1.000
  13 LEU  H       0.00      1   0.00   -1.000
  14 MET  H       0.00      1   0.00   -1.000
  15 ASP  H       0.00      1   0.05   -1.000
  16 VAL  H       0.00      1   0.05   -1.000
  17 ASP  H       0.00      1   0.00   -1.000
  18 GLY  H       0.00      1   0.00   -1.000
  19 ASP  H       0.00      1   0.00   -1.000
  20 GLY  H       0.00      1   0.00   -1.000
  21 LYS  H       0.00      1   0.00   -1.000
  22 LEU  H       0.00      1   0.00   -1.000
  23 THR  H       0.00      1   0.05   -1.000
  24 LYS  H       0.00      1   0.00   -1.000
  25 GLU  H       0.00      1   0.00   -1.000
  26 GLU  H       0.00      1   0.05   -1.000
  27 VAL  H       0.00      1   0.05   -1.000
  28 THR  H       0.00      1   0.05   -1.000
  29 SER  H       0.00      1   0.05   -1.000
  30 PHE  H      -1.68      1   0.05    1.000
  31 PHE  H      -1.76      1   0.05    1.000
  32 LYS  H      -1.31      1   0.05    1.000
  33 LYS  H      -1.01      1   0.05    1.000
  34 HIS  H      -0.56      1   0.05    1.000
  35 GLY  H      -0.14      1   0.05    1.000
  36 ILE  H      -0.30      1   0.05    1.000
  37 GLU  H      -0.11      1   0.05    1.000
  38 LYS  H      -0.20      1   0.05    1.000
  39 VAL  H      -0.10      1   0.05    1.000
  40 ALA  H      -0.10      1   0.05    1.000
  41 GLU  H       0.05      1   0.05    1.000
  42 GLN  H       0.00      1   0.05   -1.000
  43 VAL  H       0.05      1   0.05    1.000
  44 MET  H       0.00      1   0.05   -1.000
  45 LYS  H      -0.16      1   0.05    1.000
  46 ALA  H       0.00      1   0.05   -1.000
  47 ASP  H      -0.46      1   0.05    1.000
  48 ALA  H      -0.63      1   0.05    1.000
  49 ASN  H      -0.37      1   0.05    1.000
  50 GLY  H       0.10      1   0.05    1.000
  51 ASP  H      -0.23      1   0.05    1.000
  52 GLY  H       0.00      1   0.05   -1.000
  53 TYR  H       0.00      1   0.05   -1.000
  54 ILE  H       0.00      1   0.05   -1.000
  55 THR  H       0.00      1   0.05   -1.000
  56 LEU  H       0.00      1   0.05   -1.000
  57 GLU  H       0.00      1   0.05   -1.000
  58 GLU  H      -0.59      1   0.05    1.000
  59 PHE  H      -0.47      1   0.05    1.000
  60 LEU  H      -0.34      1   0.05    1.000
  61 GLU  H      -0.35      1   0.05    1.000
  62 PHE  H      -0.44      1   0.05    1.000
  63 SER  H       0.37      1   0.05    1.000
  64 LEU  H      -0.15      1   0.05    1.000
# Er3+ ion
   1 SER  N       0.00      1   0.05    1.000
   2 ASP  N       0.01      1   0.05    1.000
   3 ASP  N       0.07      1   0.05    1.000
   4 LYS  N       0.10      1   0.05    1.000
   5 ILE  N       0.03      1   0.05    1.000
   6 GLY  N       0.17      1   0.05    1.000
   7 LEU  N       0.20      1   0.05    1.000
   8 LYS  N       0.24      1   0.05    1.000
   9 VAL  N       0.45      1   0.05    1.000
  10 LEU  N       0.51      1   0.05    1.000
  11 TYR  N       0.00      1   0.05   -1.000
  12 LYS  N       0.00      1   0.05   -1.000
  13 LEU  N       0.00      1   0.00   -1.000
  14 MET  N       0.00      1   0.00   -1.000
  15 ASP  N       0.00      1   0.00   -1.000
  16 VAL  N       0.00      1   0.00   -1.000
  17 ASP  N       0.00      1   0.00   -1.000
  18 GLY  N       0.00      1   0.00   -1.000
  19 ASP  N       0.00      1   0.00   -1.000
  20 GLY  N       0.00      1   0.00   -1.000
  21 LYS  N       0.00      1   0.00   -1.000
  22 LEU  N       0.00      1   0.00   -1.000
  23 THR  N       0.00      1   0.00   -1.000
  24 LYS  N       0.00      1   0.00   -1.000
  25 GLU  N       0.00      1   0.00   -1.000
  26 GLU  N       0.00      1   0.00   -1.000
  27 VAL  N       0.00      1   0.00   -1.000
  28 THR  N       0.00      1   0.00   -1.000
  29 SER  N       0.00      1   0.00   -1.000
  30 PHE  N       1.10      1   0.05    1.000
  31 PHE  N       0.85      1   0.05    1.000
  32 LYS  N       0.40      1   0.05    1.000
  33 LYS  N       0.25      1   0.05    1.000
  34 HIS  N       0.40      1   0.05    1.000
  35 GLY  N       0.13      1   0.05    1.000
  36 ILE  N       0.19      1   0.05    1.000
  37 GLU  N       0.00      1   0.05    1.000
  38 LYS  N       0.00      1   0.05    1.000
  39 VAL  N       0.04      1   0.05    1.000
  40 ALA  N       0.00      1   0.05    1.000
  41 GLU  N       0.00      1   0.05    1.000
  42 GLN  N      -0.08      1   0.05    1.000
  43 VAL  N       0.00      1   0.05    1.000
  44 MET  N       0.00      1   0.05    1.000
  45 LYS  N      -0.10      1   0.05    1.000
  46 ALA  N      -0.18      1   0.05    1.000
  47 ASP  N      -0.36      1   0.05    1.000
  48 ALA  N      -0.43      1   0.05    1.000
  49 ASN  N      -0.36      1   0.05    1.000
  50 GLY  N      -0.39      1   0.05    1.000
  51 ASP  N      -0.55      1   0.05    1.000
  52 GLY  N      -0.77      1   0.05    1.000
  53 TYR  N       0.00      1   0.05   -1.000
  54 ILE  N       0.00      1   0.00   -1.000
  55 THR  N       0.00      1   0.05   -1.000
  56 LEU  N       0.00      1   0.05   -1.000
  57 GLU  N       0.00      1   0.05   -1.000
  58 GLU  N       0.16      1   0.05    1.000
  59 PHE  N       0.10      1   0.05    1.000
  60 LEU  N       0.06      1   0.05    1.000
  61 GLU  N       0.00      1   0.05    1.000
  62 PHE  N       0.00      1   0.05    1.000
  63 SER  N       0.00      1   0.05    1.000
  64 LEU  N       0.16      1   0.05    1.000
   1 SER  H       0.00      1   0.05    1.000
   2 ASP  H       0.01      1   0.05    1.000
   3 ASP  H       0.04      1   0.05    1.000
   4 LYS  H       0.10      1   0.05    1.000
   5 ILE  H       0.08      1   0.05    1.000
   6 GLY  H       0.24      1   0.05    1.000
   7 LEU  H       0.30      1   0.05    1.000
   8 LYS  H       0.44      1   0.05    1.000
   9 VAL  H       0.79      1   0.05    1.000
  10 LEU  H       0.64      1   0.05    1.000
  11 TYR  H       0.00      1   0.05   -1.000
  12 LYS  H       0.00      1   0.05   -1.000
  13 LEU  H       0.00      1   0.00   -1.000
  14 MET  H       0.00      1   0.00   -1.000
  15 ASP  H       0.00      1   0.00   -1.000
  16 VAL  H       0.00      1   0.00   -1.000
  17 ASP  H       0.00      1   0.00   -1.000
  18 GLY  H       0.00      1   0.00   -1.000
  19 ASP  H       0.00      1   0.00   -1.000
  20 GLY  H       0.00      1   0.00   -1.000
  21 LYS  H       0.00      1   0.00   -1.000
  22 LEU  H       0.00      1   0.00   -1.000
  23 THR  H       0.00      1   0.00   -1.000
  24 LYS  H       0.00      1   0.00   -1.000
  25 GLU  H       0.00      1   0.00   -1.000
  26 GLU  H       0.00      1   0.00   -1.000
  27 VAL  H       0.00      1   0.00   -1.000
  28 THR  H       0.00      1   0.00   -1.000
  29 SER  H       0.00      1   0.00   -1.000
  30 PHE  H       1.40      1   0.05    1.000
  31 PHE  H       1.05      1   0.05    1.000
  32 LYS  H       0.42      1   0.05    1.000
  33 LYS  H       0.29      1   0.05    1.000
  34 HIS  H       0.27      1   0.05    1.000
  35 GLY  H       0.14      1   0.05    1.000
  36 ILE  H       0.49      1   0.05    1.000
  37 GLU  H       0.00      1   0.05    1.000
  38 LYS  H       0.00      1   0.05    1.000
  39 VAL  H      -0.02      1   0.05    1.000
  40 ALA  H       0.00      1   0.05    1.000
  41 GLU  H       0.00      1   0.05    1.000
  42 GLN  H      -0.06      1   0.05    1.000
  43 VAL  H       0.00      1   0.05   -1.000
  44 MET  H       0.00      1   0.05   -1.000
  45 LYS  H      -0.10      1   0.05    1.000
  46 ALA  H      -0.20      1   0.05    1.000
  47 ASP  H      -0.53      1   0.05    1.000
  48 ALA  H      -0.64      1   0.05    1.000
  49 ASN  H      -0.39      1   0.05    1.000
  50 GLY  H      -0.32      1   0.05    1.000
  51 ASP  H      -0.53      1   0.05    1.000
  52 GLY  H      -1.25      1   0.05    1.000
  53 TYR  H       0.00      1   0.05   -1.000
  54 ILE  H       0.00      1   0.00   -1.000
  55 THR  H       0.00      1   0.05   -1.000
  56 LEU  H       0.00      1   0.05   -1.000
  57 GLU  H       0.00      1   0.05   -1.000
  58 GLU  H       0.15      1   0.05    1.000
  59 PHE  H       0.09      1   0.05    1.000
  60 LEU  H       0.04      1   0.05    1.000
  61 GLU  H       0.00      1   0.05    1.000
  62 PHE  H       0.00      1   0.05    1.000
  63 SER  H       0.00      1   0.05    1.000
  64 LEU  H       0.10      1   0.05    1.000
# Dy3+ ion
   1 SER  N       0.08      1   0.05    1.000
   2 ASP  N       0.10      1   0.05    1.000
   3 ASP  N       0.11      1   0.05    1.000
   4 LYS  N       0.33      1   0.05    1.000
   5 ILE  N       0.43      1   0.05    1.000
   6 GLY  N       0.31      1   0.05    1.000
   7 LEU  N       0.48      1   0.05    1.000
   8 LYS  N       0.62      1   0.05    1.000
   9 VAL  N       1.45      1   0.05    1.000
  10 LEU  N       1.07      1   0.05    1.000
  11 TYR  N       0.00      1   0.05   -1.000
  12 LYS  N       0.00      1   0.05   -1.000
  13 LEU  N       0.00      1   0.00   -1.000
  14 MET  N       0.00      1   0.00   -1.000
  15 ASP  N       0.00      1   0.05   -1.000
  16 VAL  N       0.00      1   0.05   -1.000
  17 ASP  N       0.00      1   0.00   -1.000
  18 GLY  N       0.00      1   0.00   -1.000
  19 ASP  N       0.00      1   0.00   -1.000
  20 GLY  N       0.00      1   0.00   -1.000
  21 LYS  N       0.00      1   0.00   -1.000
  22 LEU  N       0.00      1   0.00   -1.000
  23 THR  N       0.00      1   0.05   -1.000
  24 LYS  N       0.00      1   0.00   -1.000
  25 GLU  N       0.00      1   0.00   -1.000
  26 GLU  N       0.00      1   0.05   -1.000
  27 VAL  N       0.00      1   0.05   -1.000
  28 THR  N       0.00      1   0.05   -1.000
  29 SER  N       0.00      1   0.05   -1.000
  30 PHE  N      -2.07      1   0.05    1.000
  31 PHE  N      -1.64      1   0.05    1.000
  32 LYS  N      -0.40      1   0.05    1.000
  33 LYS  N      -0.70      1   0.05    1.000
  34 HIS  N      -0.70      1   0.05    1.000
  35 GLY  N      -0.51      1   0.05    1.000
  36 ILE  N      -0.46      1   0.05    1.000
  37 GLU  N      -0.30      1   0.05    1.000
  38 LYS  N      -0.11      1   0.05    1.000
  39 VAL  N       0.00      1   0.05    1.000
  40 ALA  N      -0.10      1   0.05    1.000
  41 GLU  N      -0.05      1   0.05    1.000
  42 GLN  N      -0.10      1   0.05    1.000
  43 VAL  N      -0.16      1   0.05    1.000
  44 MET  N      -0.10      1   0.05    1.000
  45 LYS  N      -0.19      1   0.05    1.000
  46 ALA  N      -0.29      1   0.05    1.000
  47 ASP  N      -0.54      1   0.05    1.000
  48 ALA  N      -1.10      1   0.05    1.000
  49 ASN  N      -0.54      1   0.05    1.000
  50 GLY  N      -0.44      1   0.05    1.000
  51 ASP  N       0.00      1   0.05   -1.000
  52 GLY  N       0.00      1   0.05   -1.000
  53 TYR  N       0.00      1   0.05   -1.000
  54 ILE  N       0.00      1   0.05   -1.000
  55 THR  N       0.00      1   0.05   -1.000
  56 LEU  N       0.00      1   0.05   -1.000
  57 GLU  N      -0.65      1   0.05    1.000#corrected
  58 GLU  N      -1.83      1   0.05    1.000
  59 PHE  N      -1.28      1   0.05    1.000
  60 LEU  N      -0.40      1   0.05    1.000
  61 GLU  N      -0.35      1   0.05    1.000
  62 PHE  N      -0.32      1   0.05    1.000
  63 SER  N      -0.23      1   0.05    1.000
  64 LEU  N      -0.12      1   0.05    1.000
   1 SER  H       0.07      1   0.05    1.000
   2 ASP  H       0.14      1   0.05    1.000
   3 ASP  H       0.17      1   0.05    1.000
   4 LYS  H       0.30      1   0.05    1.000
   5 ILE  H       0.31      1   0.05    1.000
   6 GLY  H       0.35      1   0.05    1.000
   7 LEU  H       0.40      1   0.05    1.000
   8 LYS  H       0.62      1   0.05    1.000
   9 VAL  H       1.45      1   0.05    1.000
  10 LEU  H       1.05      1   0.05    1.000
  11 TYR  H       0.00      1   0.05   -1.000
  12 LYS  H       0.00      1   0.05   -1.000
  13 LEU  H       0.00      1   0.00   -1.000
  14 MET  H       0.00      1   0.00   -1.000
  15 ASP  H       0.00      1   0.05   -1.000
  16 VAL  H       0.00      1   0.05   -1.000
  17 ASP  H       0.00      1   0.00   -1.000
  18 GLY  H       0.00      1   0.00   -1.000
  19 ASP  H       0.00      1   0.00   -1.000
  20 GLY  H       0.00      1   0.00   -1.000
  21 LYS  H       0.00      1   0.00   -1.000
  22 LEU  H       0.00      1   0.00   -1.000
  23 THR  H       0.00      1   0.05   -1.000
  24 LYS  H       0.00      1   0.00   -1.000
  25 GLU  H       0.00      1   0.00   -1.000
  26 GLU  H       0.00      1   0.05   -1.000
  27 VAL  H       0.00      1   0.05   -1.000
  28 THR  H       0.00      1   0.05   -1.000
  29 SER  H       0.00      1   0.05   -1.000
  30 PHE  H      -1.97      1   0.05    1.000
  31 PHE  H      -1.84      1   0.05    1.000
  32 LYS  H      -0.50      1   0.05    1.000
  33 LYS  H      -0.97      1   0.05    1.000
  34 HIS  H      -0.70      1   0.05    1.000
  35 GLY  H      -0.55      1   0.05    1.000
  36 ILE  H      -0.55      1   0.05    1.000
  37 GLU  H      -0.29      1   0.05    1.000
  38 LYS  H      -0.09      1   0.05    1.000
  39 VAL  H       0.00      1   0.05    1.000
  40 ALA  H      -0.08      1   0.05    1.000
  41 GLU  H      -0.05      1   0.05    1.000
  42 GLN  H      -0.10      1   0.05    1.000
  43 VAL  H      -0.16      1   0.05    1.000
  44 MET  H      -0.11      1   0.05    1.000
  45 LYS  H      -0.19      1   0.05    1.000
  46 ALA  H      -0.28      1   0.05    1.000
  47 ASP  H      -0.50      1   0.05    1.000
  48 ALA  H      -0.93      1   0.05    1.000
  49 ASN  H      -0.42      1   0.05    1.000
  50 GLY  H      -0.70      1   0.05    1.000
  51 ASP  H       0.00      1   0.05   -1.000
  52 GLY  H       0.00      1   0.05   -1.000
  53 TYR  H       0.00      1   0.05   -1.000
  54 ILE  H       0.00      1   0.05   -1.000
  55 THR  H       0.00      1   0.05   -1.000
  56 LEU  H       0.00      1   0.05   -1.000
  57 GLU  H      -0.65      1   0.05    1.000#corrected
  58 GLU  H      -1.68      1   0.05    1.000
  59 PHE  H      -1.12      1   0.05    1.000
  60 LEU  H      -0.42      1   0.05    1.000
  61 GLU  H      -0.50      1   0.05    1.000
  62 PHE  H      -0.51      1   0.05    1.000
  63 SER  H      -0.15      1   0.05    1.000
  64 LEU  H      -0.20      1   0.05    1.000
#Yb3+ ion
   1 SER  N       0.00      1   0.05    1.000
   2 ASP  N       0.00      1   0.05    1.000
   3 ASP  N       0.00      1   0.05    1.000
   4 LYS  N       0.00      1   0.05    1.000
   5 ILE  N       0.00      1   0.05    1.000
   6 GLY  N       0.05      1   0.05    1.000
   7 LEU  N       0.11      1   0.05    1.000
   8 LYS  N       0.17      1   0.05    1.000
   9 VAL  N       0.30      1   0.05    1.000
  10 LEU  N       0.40      1   0.05    1.000 
  11 TYR  N       0.50      1   0.05    1.000 
  12 LYS  N       0.00      1   0.05   -1.000
  13 LEU  N       0.00      1   0.00   -1.000
  14 MET  N       0.00      1   0.00   -1.000
  15 ASP  N       0.00      1   0.00   -1.000
  16 VAL  N       0.00      1   0.05   -1.000
  17 ASP  N       0.00      1   0.00   -1.000
  18 GLY  N       0.00      1   0.00   -1.000
  19 ASP  N       0.00      1   0.00   -1.000
  20 GLY  N       0.00      1   0.00   -1.000
  21 LYS  N       0.00      1   0.00   -1.000
  22 LEU  N       0.00      1   0.00   -1.000
  23 THR  N       0.00      1   0.05   -1.000
  24 LYS  N       0.00      1   0.00   -1.000
  25 GLU  N       0.00      1   0.05   -1.000
  26 GLU  N       0.00      1   0.05   -1.000
  27 VAL  N       1.00      1   0.05    1.000
  28 THR  N       0.85      1   0.05    1.000
  29 SER  N       0.64      1   0.05    1.000
  30 PHE  N       1.50      1   0.05    1.000
  31 PHE  N       0.80      1   0.05    1.000
  32 LYS  N       0.50      1   0.05    1.000
  33 LYS  N       0.70      1   0.05    1.000
  34 HIS  N       0.40      1   0.05    1.000
  35 GLY  N       0.25      1   0.05    1.000
  36 ILE  N       0.30      1   0.05    1.000
  37 GLU  N       0.28      1   0.05    1.000
  38 LYS  N       0.12      1   0.05    1.000
  39 VAL  N       0.00      1   0.05    1.000
  40 ALA  N       0.00      1   0.05    1.000
  41 GLU  N       0.00      1   0.05    1.000
  42 GLN  N       0.05      1   0.05    1.000
  43 VAL  N       0.00      1   0.05    1.000
  44 MET  N       0.00      1   0.05    1.000
  45 LYS  N       0.00      1   0.05    1.000
  46 ALA  N      -0.35      1   0.05    1.000
  47 ASP  N      -0.30      1   0.05    1.000
  48 ALA  N      -0.32      1   0.05    1.000
  49 ASN  N      -0.14      1   0.05    1.000
  50 GLY  N      -0.17      1   0.05    1.000
  51 ASP  N      -0.35      1   0.05    1.000
  52 GLY  N      -1.01      1   0.05    1.000
  53 TYR  N      -0.78      1   0.05    1.000
  54 ILE  N       0.00      1   0.05   -1.000
  55 THR  N       0.00      1   0.05   -1.000
  56 LEU  N       0.00      1   0.05   -1.000
  57 GLU  N       0.25      1   0.05    1.000
  58 GLU  N       0.10      1   0.05    1.000
  59 PHE  N       0.21      1   0.05    1.000
  60 LEU  N       0.10      1   0.05    1.000
  61 GLU  N       0.00      1   0.05    1.000
  62 PHE  N       0.00      1   0.05    1.000
  63 SER  N       0.00      1   0.05    1.000
  64 LEU  N       0.05      1   0.05    1.000
   1 SER  H       0.00      1   0.05    1.000
   2 ASP  H       0.00      1   0.05    1.000
   3 ASP  H       0.00      1   0.05    1.000
   4 LYS  H       0.00      1   0.05    1.000
   5 ILE  H       0.00      1   0.05    1.000
   6 GLY  H       0.05      1   0.05    1.000
   7 LEU  H       0.10      1   0.05    1.000
   8 LYS  H       0.15      1   0.05    1.000
   9 VAL  H       0.23      1   0.05    1.000
  10 LEU  H       0.41      1   0.05    1.000
  11 TYR  H       0.63      1   0.05    1.000
  12 LYS  H       0.00      1   0.05   -1.000
  13 LEU  H       0.00      1   0.00   -1.000
  14 MET  H       0.00      1   0.00   -1.000
  15 ASP  H       0.00      1   0.05   -1.000
  16 VAL  H       0.00      1   0.05   -1.000
  17 ASP  H       0.00      1   0.00   -1.000
  18 GLY  H       0.00      1   0.00   -1.000
  19 ASP  H       0.00      1   0.00   -1.000
  20 GLY  H       0.00      1   0.00   -1.000
  21 LYS  H       0.00      1   0.00   -1.000
  22 LEU  H       0.00      1   0.00   -1.000
  23 THR  H       0.00      1   0.05   -1.000
  24 LYS  H       0.00      1   0.00   -1.000
  25 GLU  H       0.00      1   0.00   -1.000
  26 GLU  H       0.00      1   0.05   -1.000
  27 VAL  H       1.20      1   0.05    1.000
  28 THR  H       1.05      1   0.05    1.000
  29 SER  H       0.40      1   0.05    1.000
  30 PHE  H       1.05      1   0.05    1.000
  31 PHE  H       0.85      1   0.05    1.000
  32 LYS  H       0.45      1   0.05    1.000
  33 LYS  H       0.50      1   0.05    1.000
  34 HIS  H       0.35      1   0.05    1.000
  35 GLY  H       0.18      1   0.05    1.000
  36 ILE  H       0.27      1   0.05    1.000
  37 GLU  H       0.40      1   0.05    1.000
  38 LYS  H       0.18      1   0.05    1.000
  39 VAL  H       0.00      1   0.05    1.000
  40 ALA  H       0.00      1   0.05    1.000
  41 GLU  H       0.00      1   0.05    1.000
  42 GLN  H       0.06      1   0.05    1.000
  43 VAL  H       0.00      1   0.05    1.000
  44 MET  H       0.00      1   0.05    1.000
  45 LYS  H       0.00      1   0.05    1.000
  46 ALA  H      -0.20      1   0.05    1.000
  47 ASP  H      -0.23      1   0.05    1.000
  48 ALA  H      -0.21      1   0.05    1.000
  49 ASN  H      -0.24      1   0.08    1.000
  50 GLY  H      -0.18      1   0.10    1.000
  51 ASP  H      -0.36      1   0.05    1.000
  52 GLY  H      -0.68      1   0.05    1.000
  53 TYR  H      -0.83      1   0.05    1.000
  54 ILE  H       0.00      1   0.05   -1.000
  55 THR  H       0.00      1   0.05   -1.000
  56 LEU  H       0.00      1   0.05   -1.000
  57 GLU  H       0.23      1   0.05    1.000
  58 GLU  H       0.09      1   0.05    1.000
  59 PHE  H       0.18      1   0.05    1.000
  60 LEU  H       0.08      1   0.05    1.000
  61 GLU  H       0.00      1   0.05    1.000
  62 PHE  H       0.00      1   0.05    1.000
  63 SER  H       0.00      1   0.05    1.000
  64 LEU  H       0.02      1   0.05    1.000 

#Tensorial Values for various Ln3+ in 3rd site of  C-terminal domain

SPECIES  AX.ANI(m^3 E-32)  RH.ANI(m^3 E-32)           
Ce3+     (0.74 +/- 0.14)   (0.32+/- 0.16)    
                                             

Dy3+     (14.93 +/- 0.45)  (6.28 +/-1.36)   
                                           
                                             
Ho3+     (8.71+/-0.97)     (3.08+/-0.92)     


Er3+     (-4.03+/-0.65)    (-1.48+/-0.54)    
 
                                             

Tm3+     (-8.25+/-0.98)     (-2.96+/-0.75)   
                                            
                                             

Yb3+    (-3.15+/-0.63)     (-1.29+/- 0.35)  

#NOTE1
#The anisotropic values and there axes are calculated using FANTASIAN. 
#The uncertainities reported are standard deviations resulting 
#from the fit of individual conformers or by partial data fitting whereby 16% of the
#data were randomly deleted.

#NOTE 2
#NOTE 2
#For Ce3+ shifts, it was found that mainly in E-helix of first EF hand,inter EF hand linker
#and F-helix of second EF-hand no PCS shifts are found (shift=0.00 ppm).Putting the weightage in 
#them as 1.000 or -1.000 doesn't change the structure refinement or calculation of tensorial para-
#meters(< 4%). This is applicable to residue number 1-6,37-41 and 59-64.Hence for a particular
#lanthanide in a long stretch say of 6 residues, no PCSs (or maybe only with one PCS 
#around ~0.05 ppm) are observed, then putting tolerance values as 1.000 or -1.000 in them 
#doesn't affect the structure refinement.
#THESE NOE CONSTRAINTS WERE COMMENTED OUT:
     34 HIS HA     37 GLU H        5.30
     36 ILE QG1    38 LYS H        4.76
     19 ASP HN     20 GLY HA2      4.42

#THESE HYDROGEN BOND CONSTRAINTS WERE ALSO COMMENTED OUT:
     16 VAL HN     26 GLU OE1      2.00
     17 ASP N      26 GLU OE1      3.00
     47 ASP OD2    52 GLY HN       2.00
     16 VAL HN     26 GLU OE1      2.00
     17 ASP N      26 GLU OE1      3.00

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    SER   1          HT1       SER   1   7.580   8.583  13.926
    2    HA   SER   1           HA       SER   1   7.178   9.183  11.160
    3   2HB   SER   1          2HB       SER   1   9.914   8.554  11.655
    4    HG   SER   1           HG       SER   1   9.827  10.398  10.563
    5    H    ASP   2           H        ASP   2   9.347   6.735  12.752
    6    HA   ASP   2           HA       ASP   2   9.593   5.090  10.649
    7   2HB   ASP   2          2HB       ASP   2  10.338   3.426  12.192
    8    H    ASP   3           H        ASP   3   6.792   5.650  12.703
    9    HA   ASP   3           HA       ASP   3   5.414   3.418  12.809
   10   2HB   ASP   3          2HB       ASP   3   3.463   5.156  11.820
   11    H    LYS   4           H        LYS   4   5.912   5.479   9.881
   12    HA   LYS   4           HA       LYS   4   5.654   3.295   8.132
   13   2HB   LYS   4          2HB       LYS   4   3.492   4.873   7.189
   14   2HG   LYS   4          2HG       LYS   4   3.980   2.069   8.171
   15   2HD   LYS   4          2HD       LYS   4   1.200   2.934   7.318
   16   2HE   LYS   4          2HE       LYS   4   2.329   0.451   7.612
   17   1HZ   LYS   4          1HZ       LYS   4   1.489  -0.376   9.702
   18   2HZ   LYS   4          2HZ       LYS   4   2.620   0.773   9.964
   19   3HZ   LYS   4          3HZ       LYS   4   1.037   1.123  10.166
   20    H    ILE   5           H        ILE   5   7.492   5.450   8.833
   21    HA   ILE   5           HA       ILE   5   7.325   7.581   7.048
   22    HB   ILE   5           HB       ILE   5   8.740   7.547   9.022
   23   2HG1  ILE   5          2HG1      ILE   5  10.412   7.878   6.516
   24   1HG2  ILE   5          1HG2      ILE   5   9.405   5.083   8.645
   25   2HG2  ILE   5          2HG2      ILE   5  10.691   5.743   7.606
   26   3HG2  ILE   5          3HG2      ILE   5  10.614   6.198   9.325
   27   1HD1  ILE   5          1HD1      ILE   5   8.099   9.410   7.643
   28   2HD1  ILE   5          2HD1      ILE   5   9.507  10.365   7.120
   29   3HD1  ILE   5          3HD1      ILE   5   8.678   9.296   5.963
   30    H    GLY   6           H        GLY   6   9.222   4.488   6.799
   31   1HA   GLY   6          1HA       GLY   6   9.985   4.980   4.101
   32   2HA   GLY   6          2HA       GLY   6  10.148   3.485   5.002
   33    H    LEU   7           H        LEU   7   7.711   2.559   5.602
   34    HA   LEU   7           HA       LEU   7   6.742   1.421   3.363
   35   2HB   LEU   7          2HB       LEU   7   4.532   1.875   5.099
   36    HG   LEU   7           HG       LEU   7   4.932  -0.283   4.043
   37   1HD1  LEU   7          1HD1      LEU   7   7.173  -0.690   3.860
   38   2HD1  LEU   7          2HD1      LEU   7   7.531  -0.116   5.507
   39   3HD1  LEU   7          3HD1      LEU   7   6.789  -1.715   5.264
   40   1HD2  LEU   7          1HD2      LEU   7   3.548  -0.575   5.860
   41   2HD2  LEU   7          2HD2      LEU   7   4.868  -1.708   6.237
   42   3HD2  LEU   7          3HD2      LEU   7   4.805  -0.118   7.034
   43    H    LYS   8           H        LYS   8   5.915   4.652   4.686
   44    HA   LYS   8           HA       LYS   8   3.841   5.088   2.785
   45   2HB   LYS   8          2HB       LYS   8   5.337   6.980   4.622
   46   2HG   LYS   8          2HG       LYS   8   2.791   7.995   4.109
   47   2HD   LYS   8          2HD       LYS   8   4.215   9.516   2.432
   48   2HE   LYS   8          2HE       LYS   8   4.457   9.249   5.442
   49   1HZ   LYS   8          1HZ       LYS   8   6.424  10.269   5.137
   50   2HZ   LYS   8          2HZ       LYS   8   6.061  10.862   3.660
   51   3HZ   LYS   8          3HZ       LYS   8   5.484  11.597   4.999
   52    H    VAL   9           H        VAL   9   7.311   6.049   3.102
   53    HA   VAL   9           HA       VAL   9   7.491   7.714   0.944
   54    HB   VAL   9           HB       VAL   9   9.357   5.817   2.313
   55   1HG1  VAL   9          1HG1      VAL   9  10.161   5.633   0.074
   56   2HG1  VAL   9          2HG1      VAL   9   9.967   7.379  -0.212
   57   3HG1  VAL   9          3HG1      VAL   9  11.222   6.794   0.907
   58   1HG2  VAL   9          1HG2      VAL   9  10.380   8.438   2.206
   59   2HG2  VAL   9          2HG2      VAL   9   8.631   8.615   2.484
   60   3HG2  VAL   9          3HG2      VAL   9   9.613   7.628   3.593
   61    H    LEU  10           H        LEU  10   8.226   4.148   0.920
   62    HA   LEU  10           HA       LEU  10   8.456   3.961  -1.831
   63   2HB   LEU  10          2HB       LEU  10   7.489   1.504  -0.954
   64    HG   LEU  10           HG       LEU  10   9.753   2.235  -2.136
   65   1HD1  LEU  10          1HD1      LEU  10  10.531   3.291   0.060
   66   2HD1  LEU  10          2HD1      LEU  10  10.793   1.626   0.630
   67   3HD1  LEU  10          3HD1      LEU  10  11.676   2.229  -0.793
   68   1HD2  LEU  10          1HD2      LEU  10   8.638  -0.148  -1.242
   69   2HD2  LEU  10          2HD2      LEU  10  10.012   0.036  -2.359
   70   3HD2  LEU  10          3HD2      LEU  10  10.304  -0.186  -0.617
   71    H    TYR  11           H        TYR  11   5.579   3.417   0.308
   72    HA   TYR  11           HA       TYR  11   3.787   2.658  -1.620
   73   2HB   TYR  11          2HB       TYR  11   3.783   4.235   0.987
   74    HD1  TYR  11           HD1      TYR  11   1.756   4.955   2.149
   75    HD2  TYR  11           HD2      TYR  11   1.605   3.619  -1.913
   76    HE1  TYR  11           HE1      TYR  11  -0.574   5.941   1.904
   77    HE2  TYR  11           HE2      TYR  11  -0.724   4.610  -2.144
   78    HH   TYR  11           HH       TYR  11  -2.135   6.525   0.456
   79    H    LYS  12           H        LYS  12   4.331   6.044  -0.396
   80    HA   LYS  12           HA       LYS  12   2.608   7.274  -2.158
   81   2HB   LYS  12          2HB       LYS  12   5.092   8.222  -0.722
   82   2HG   LYS  12          2HG       LYS  12   3.928  10.537  -1.251
   83   2HD   LYS  12          2HD       LYS  12   5.236   9.554  -3.738
   84   2HE   LYS  12          2HE       LYS  12   6.691  11.449  -2.023
   85   1HZ   LYS  12          1HZ       LYS  12   6.862  12.524  -3.988
   86   2HZ   LYS  12          2HZ       LYS  12   6.550  11.030  -4.569
   87   3HZ   LYS  12          3HZ       LYS  12   5.359  12.145  -4.501
   88    H    LEU  13           H        LEU  13   5.903   6.019  -2.627
   89    HA   LEU  13           HA       LEU  13   6.195   7.346  -5.158
   90   2HB   LEU  13          2HB       LEU  13   7.976   5.102  -4.540
   91    HG   LEU  13           HG       LEU  13   9.749   6.680  -4.878
   92   1HD1  LEU  13          1HD1      LEU  13   8.093   5.875  -6.827
   93   2HD1  LEU  13          2HD1      LEU  13   7.914   7.636  -7.008
   94   3HD1  LEU  13          3HD1      LEU  13   9.526   6.889  -7.121
   95   1HD2  LEU  13          1HD2      LEU  13   9.353   8.678  -3.894
   96   2HD2  LEU  13          2HD2      LEU  13   8.863   9.123  -5.546
   97   3HD2  LEU  13          3HD2      LEU  13   7.629   8.688  -4.339
   98    H    MET  14           H        MET  14   4.859   4.346  -3.893
   99    HA   MET  14           HA       MET  14   5.042   2.958  -6.351
  100   2HB   MET  14          2HB       MET  14   2.937   1.862  -4.761
  101   2HG   MET  14          2HG       MET  14   5.287   0.960  -5.851
  102   1HE   MET  14          1HE       MET  14   7.991   2.575  -3.988
  103   2HE   MET  14          2HE       MET  14   8.174   1.149  -5.037
  104   3HE   MET  14          3HE       MET  14   6.974   2.400  -5.439
  105    H    ASP  15           H        ASP  15   2.293   4.479  -4.512
  106    HA   ASP  15           HA       ASP  15   0.252   3.990  -6.094
  107   2HB   ASP  15          2HB       ASP  15   1.096   6.546  -4.702
  108    H    VAL  16           H        VAL  16   0.594   3.826  -8.369
  109    HA   VAL  16           HA       VAL  16   1.517   6.286  -9.686
  110    HB   VAL  16           HB       VAL  16   3.036   4.399  -9.944
  111   1HG1  VAL  16          1HG1      VAL  16   2.114   2.478 -11.471
  112   2HG1  VAL  16          2HG1      VAL  16   1.827   2.434  -9.715
  113   3HG1  VAL  16          3HG1      VAL  16   0.535   2.972 -10.815
  114   1HG2  VAL  16          1HG2      VAL  16   1.747   5.828 -12.102
  115   2HG2  VAL  16          2HG2      VAL  16   3.453   5.356 -11.916
  116   3HG2  VAL  16          3HG2      VAL  16   2.293   4.229 -12.659
  117    H    ASP  17           H        ASP  17  -1.055   3.961  -9.203
  118    HA   ASP  17           HA       ASP  17  -2.463   3.891 -11.411
  119   2HB   ASP  17          2HB       ASP  17  -3.395   4.533  -8.587
  120    H    GLY  18           H        GLY  18  -3.383   6.428  -8.976
  121   1HA   GLY  18          1HA       GLY  18  -2.912   8.780 -10.006
  122   2HA   GLY  18          2HA       GLY  18  -4.097   8.232 -11.175
  123    H    ASP  19           H        ASP  19  -3.663   8.206  -7.557
  124    HA   ASP  19           HA       ASP  19  -6.100   9.647  -7.287
  125   2HB   ASP  19          2HB       ASP  19  -7.437   8.018  -6.279
  126    H    GLY  20           H        GLY  20  -3.650   7.473  -5.705
  127   1HA   GLY  20          1HA       GLY  20  -2.037   8.592  -4.249
  128   2HA   GLY  20          2HA       GLY  20  -3.374   9.483  -3.550
  129    H    LYS  21           H        LYS  21  -4.807   6.590  -4.158
  130    HA   LYS  21           HA       LYS  21  -4.219   5.652  -1.457
  131   2HB   LYS  21          2HB       LYS  21  -6.545   6.121  -1.892
  132   2HG   LYS  21          2HG       LYS  21  -7.130   3.984  -3.772
  133   2HD   LYS  21          2HD       LYS  21  -7.398   6.979  -4.240
  134   2HE   LYS  21          2HE       LYS  21  -8.829   4.463  -5.141
  135   1HZ   LYS  21          1HZ       LYS  21  -9.984   7.128  -5.443
  136   2HZ   LYS  21          2HZ       LYS  21 -10.698   5.674  -5.657
  137   3HZ   LYS  21          3HZ       LYS  21 -10.362   6.205  -4.149
  138    H    LEU  22           H        LEU  22  -3.709   3.427  -1.037
  139    HA   LEU  22           HA       LEU  22  -2.325   2.219  -3.300
  140   2HB   LEU  22          2HB       LEU  22  -2.159   1.224  -0.485
  141    HG   LEU  22           HG       LEU  22  -0.832   0.015  -2.122
  142   1HD1  LEU  22          1HD1      LEU  22   1.177   1.596  -3.039
  143   2HD1  LEU  22          2HD1      LEU  22  -0.292   1.192  -3.960
  144   3HD1  LEU  22          3HD1      LEU  22  -0.191   2.734  -3.077
  145   1HD2  LEU  22          1HD2      LEU  22   0.546  -0.212  -0.393
  146   2HD2  LEU  22          2HD2      LEU  22   1.523   1.098  -1.097
  147   3HD2  LEU  22          3HD2      LEU  22   0.286   1.471   0.127
  148    H    THR  23           H        THR  23  -3.991   1.277  -4.509
  149    HA   THR  23           HA       THR  23  -5.800  -0.524  -3.091
  150    HB   THR  23           HB       THR  23  -7.205  -0.200  -4.938
  151    HG1  THR  23           HG1      THR  23  -6.277  -0.193  -7.028
  152   1HG2  THR  23          1HG2      THR  23  -5.590   2.117  -5.884
  153   2HG2  THR  23          2HG2      THR  23  -7.279   2.073  -5.324
  154   3HG2  THR  23          3HG2      THR  23  -5.950   2.147  -4.141
  155    H    LYS  24           H        LYS  24  -6.216  -2.710  -4.005
  156    HA   LYS  24           HA       LYS  24  -3.842  -4.162  -4.049
  157   2HB   LYS  24          2HB       LYS  24  -6.397  -5.244  -5.199
  158   2HG   LYS  24          2HG       LYS  24  -4.981  -6.583  -2.970
  159   2HD   LYS  24          2HD       LYS  24  -6.161  -7.262  -5.661
  160   2HE   LYS  24          2HE       LYS  24  -3.801  -8.584  -4.438
  161   1HZ   LYS  24          1HZ       LYS  24  -4.988 -10.352  -3.826
  162   2HZ   LYS  24          2HZ       LYS  24  -6.305  -9.956  -4.708
  163   3HZ   LYS  24          3HZ       LYS  24  -5.039 -10.702  -5.420
  164    H    GLU  25           H        GLU  25  -6.222  -3.799  -6.776
  165    HA   GLU  25           HA       GLU  25  -4.796  -4.864  -8.732
  166   2HB   GLU  25          2HB       GLU  25  -5.848  -2.606  -9.997
  167   2HG   GLU  25          2HG       GLU  25  -6.327  -5.323  -9.958
  168    H    GLU  26           H        GLU  26  -4.532  -1.385  -7.705
  169    HA   GLU  26           HA       GLU  26  -2.502  -0.785  -9.494
  170   2HB   GLU  26          2HB       GLU  26  -3.208   0.487  -6.813
  171   2HG   GLU  26          2HG       GLU  26  -1.718   1.722  -9.171
  172    H    VAL  27           H        VAL  27  -2.503  -2.211  -6.218
  173    HA   VAL  27           HA       VAL  27   0.256  -1.875  -5.744
  174    HB   VAL  27           HB       VAL  27  -2.043  -3.295  -4.560
  175   1HG1  VAL  27          1HG1      VAL  27   0.726  -4.426  -4.489
  176   2HG1  VAL  27          2HG1      VAL  27  -0.229  -4.443  -2.987
  177   3HG1  VAL  27          3HG1      VAL  27  -0.851  -5.251  -4.446
  178   1HG2  VAL  27          1HG2      VAL  27  -1.693  -1.791  -2.947
  179   2HG2  VAL  27          2HG2      VAL  27  -0.009  -2.326  -2.734
  180   3HG2  VAL  27          3HG2      VAL  27  -0.403  -1.094  -3.957
  181    H    THR  28           H        THR  28  -1.532  -4.977  -6.369
  182    HA   THR  28           HA       THR  28   0.623  -6.520  -6.975
  183    HB   THR  28           HB       THR  28  -2.272  -6.466  -7.920
  184    HG1  THR  28           HG1      THR  28  -2.281  -7.544  -5.990
  185   1HG2  THR  28          1HG2      THR  28  -0.154  -7.905  -9.226
  186   2HG2  THR  28          2HG2      THR  28  -1.010  -9.070  -8.187
  187   3HG2  THR  28          3HG2      THR  28  -1.906  -8.149  -9.420
  188    H    SER  29           H        SER  29  -0.880  -4.017  -8.999
  189    HA   SER  29           HA       SER  29   0.256  -4.838 -11.392
  190   2HB   SER  29          2HB       SER  29   0.071  -2.093 -11.643
  191    HG   SER  29           HG       SER  29  -2.452  -3.008 -11.770
  192    H    PHE  30           H        PHE  30   1.314  -2.328  -8.977
  193    HA   PHE  30           HA       PHE  30   3.808  -1.975 -10.338
  194   2HB   PHE  30          2HB       PHE  30   3.321  -1.116  -7.481
  195    HD1  PHE  30           HD1      PHE  30   5.557  -0.281  -7.380
  196    HD2  PHE  30           HD2      PHE  30   2.969   0.955 -10.507
  197    HE1  PHE  30           HE1      PHE  30   7.170   1.541  -7.994
  198    HE2  PHE  30           HE2      PHE  30   4.582   2.778 -11.121
  199    HZ   PHE  30           HZ       PHE  30   6.663   3.049  -9.857
  200    H    PHE  31           H        PHE  31   2.552  -3.819  -7.550
  201    HA   PHE  31           HA       PHE  31   5.164  -4.441  -6.568
  202   2HB   PHE  31          2HB       PHE  31   3.495  -6.230  -5.384
  203    HD1  PHE  31           HD1      PHE  31   4.866  -5.456  -3.549
  204    HD2  PHE  31           HD2      PHE  31   1.971  -2.898  -5.305
  205    HE1  PHE  31           HE1      PHE  31   5.065  -3.891  -1.598
  206    HE2  PHE  31           HE2      PHE  31   2.171  -1.332  -3.353
  207    HZ   PHE  31           HZ       PHE  31   3.715  -1.848  -1.523
  208    H    LYS  32           H        LYS  32   3.082  -5.631  -9.092
  209    HA   LYS  32           HA       LYS  32   3.423  -8.291  -9.156
  210   2HB   LYS  32          2HB       LYS  32   3.944  -7.307 -11.797
  211   2HG   LYS  32          2HG       LYS  32   1.484  -8.308 -10.296
  212   2HD   LYS  32          2HD       LYS  32   1.701  -7.058 -12.949
  213   2HE   LYS  32          2HE       LYS  32   0.029  -8.981 -13.800
  214   1HZ   LYS  32          1HZ       LYS  32   2.729  -9.847 -14.074
  215   2HZ   LYS  32          2HZ       LYS  32   1.667  -9.373 -15.221
  216   3HZ   LYS  32          3HZ       LYS  32   2.533  -8.259 -14.398
  217    H    LYS  33           H        LYS  33   5.924  -5.816  -9.498
  218    HA   LYS  33           HA       LYS  33   7.850  -7.778 -10.418
  219   2HB   LYS  33          2HB       LYS  33   8.439  -4.910  -9.699
  220   2HG   LYS  33          2HG       LYS  33   9.493  -6.622 -11.982
  221   2HD   LYS  33          2HD       LYS  33  10.914  -4.425 -10.440
  222   2HE   LYS  33          2HE       LYS  33  11.368  -4.553 -13.308
  223   1HZ   LYS  33          1HZ       LYS  33  13.613  -5.165 -12.358
  224   2HZ   LYS  33          2HZ       LYS  33  13.006  -3.706 -11.945
  225   3HZ   LYS  33          3HZ       LYS  33  12.950  -4.945 -10.882
  226    H    HIS  34           H        HIS  34   7.093  -5.762  -7.523
  227    HA   HIS  34           HA       HIS  34   9.319  -6.662  -6.063
  228   2HB   HIS  34          2HB       HIS  34   8.185  -5.649  -4.144
  229    HD1  HIS  34           HD1      HIS  34   6.915  -2.898  -4.499
  230    HD2  HIS  34           HD2      HIS  34   9.749  -4.479  -7.157
  231    HE1  HIS  34           HE1      HIS  34   7.971  -0.903  -5.688
  232    H    GLY  35           H        GLY  35   7.025  -7.171  -3.793
  233   1HA   GLY  35          1HA       GLY  35   7.075 -10.089  -4.231
  234   2HA   GLY  35          2HA       GLY  35   7.008  -9.276  -2.679
  235    H    ILE  36           H        ILE  36   5.124  -8.606  -5.702
  236    HA   ILE  36           HA       ILE  36   2.772  -7.976  -4.647
  237    HB   ILE  36           HB       ILE  36   3.010  -7.864  -6.955
  238   2HG1  ILE  36          2HG1      ILE  36   1.022  -8.799  -7.790
  239   1HG2  ILE  36          1HG2      ILE  36   3.901 -10.710  -6.754
  240   2HG2  ILE  36          2HG2      ILE  36   3.156 -10.149  -8.270
  241   3HG2  ILE  36          3HG2      ILE  36   4.614  -9.342  -7.643
  242   1HD1  ILE  36          1HD1      ILE  36   0.516 -10.989  -7.542
  243   2HD1  ILE  36          2HD1      ILE  36   1.917 -11.173  -6.460
  244   3HD1  ILE  36          3HD1      ILE  36   0.322 -10.758  -5.787
  245    H    GLU  37           H        GLU  37   4.217 -11.229  -4.708
  246    HA   GLU  37           HA       GLU  37   1.884 -12.596  -4.040
  247   2HB   GLU  37          2HB       GLU  37   3.866 -14.176  -3.000
  248   2HG   GLU  37          2HG       GLU  37   3.628 -13.856  -6.007
  249    H    LYS  38           H        LYS  38   4.766 -11.992  -1.897
  250    HA   LYS  38           HA       LYS  38   3.401 -12.543   0.457
  251   2HB   LYS  38          2HB       LYS  38   5.918 -10.984  -0.150
  252   2HG   LYS  38          2HG       LYS  38   4.363 -10.938   2.279
  253   2HD   LYS  38          2HD       LYS  38   6.762 -11.707   3.485
  254   2HE   LYS  38          2HE       LYS  38   4.043 -12.336   3.685
  255   1HZ   LYS  38          1HZ       LYS  38   5.114 -14.930   3.874
  256   2HZ   LYS  38          2HZ       LYS  38   3.764 -14.429   3.105
  257   3HZ   LYS  38          3HZ       LYS  38   5.203 -14.396   2.334
  258    H    VAL  39           H        VAL  39   3.643  -9.591  -1.520
  259    HA   VAL  39           HA       VAL  39   2.600  -7.878   0.490
  260    HB   VAL  39           HB       VAL  39   2.885  -7.651  -2.509
  261   1HG1  VAL  39          1HG1      VAL  39   2.412  -5.278  -2.293
  262   2HG1  VAL  39          2HG1      VAL  39   1.035  -6.221  -1.675
  263   3HG1  VAL  39          3HG1      VAL  39   2.169  -5.454  -0.538
  264   1HG2  VAL  39          1HG2      VAL  39   4.661  -7.211  -0.217
  265   2HG2  VAL  39          2HG2      VAL  39   5.042  -7.389  -1.947
  266   3HG2  VAL  39          3HG2      VAL  39   4.553  -5.804  -1.302
  267    H    ALA  40           H        ALA  40   1.247  -9.887  -2.155
  268    HA   ALA  40           HA       ALA  40  -1.324  -8.837  -2.150
  269   1HB   ALA  40          1HB       ALA  40  -0.088 -11.503  -2.858
  270   2HB   ALA  40          2HB       ALA  40  -1.850 -11.269  -2.952
  271   3HB   ALA  40          3HB       ALA  40  -0.764 -10.256  -3.933
  272    H    GLU  41           H        GLU  41   0.180 -11.477  -0.185
  273    HA   GLU  41           HA       GLU  41  -2.180 -12.139   1.128
  274   2HB   GLU  41          2HB       GLU  41   0.715 -12.469   2.034
  275   2HG   GLU  41          2HG       GLU  41  -1.929 -13.518   3.052
  276    H    GLN  42           H        GLN  42   0.604 -10.012   2.079
  277    HA   GLN  42           HA       GLN  42  -0.465  -9.309   4.536
  278   2HB   GLN  42          2HB       GLN  42   1.097  -7.124   3.668
  279   2HG   GLN  42          2HG       GLN  42   2.952  -8.461   4.888
  280   1HE2  GLN  42          1HE2      GLN  42   1.573  -9.598   7.276
  281   2HE2  GLN  42          2HE2      GLN  42   0.912  -8.251   8.141
  282    H    VAL  43           H        VAL  43  -0.847  -7.933   1.240
  283    HA   VAL  43           HA       VAL  43  -2.195  -5.602   2.076
  284    HB   VAL  43           HB       VAL  43  -1.880  -7.111  -0.502
  285   1HG1  VAL  43          1HG1      VAL  43  -3.951  -5.117   0.152
  286   2HG1  VAL  43          2HG1      VAL  43  -2.986  -4.730  -1.292
  287   3HG1  VAL  43          3HG1      VAL  43  -3.857  -6.279  -1.193
  288   1HG2  VAL  43          1HG2      VAL  43  -0.602  -5.171  -1.179
  289   2HG2  VAL  43          2HG2      VAL  43  -1.057  -4.303   0.307
  290   3HG2  VAL  43          3HG2      VAL  43  -0.006  -5.736   0.400
  291    H    MET  44           H        MET  44  -3.256  -8.895   1.046
  292    HA   MET  44           HA       MET  44  -5.942  -8.379   0.946
  293   2HB   MET  44          2HB       MET  44  -5.563 -11.011   2.040
  294   2HG   MET  44          2HG       MET  44  -5.307 -10.654  -0.917
  295   1HE   MET  44          1HE       MET  44  -6.219 -13.169  -2.084
  296   2HE   MET  44          2HE       MET  44  -7.973 -13.179  -1.780
  297   3HE   MET  44          3HE       MET  44  -7.152 -11.658  -2.204
  298    H    LYS  45           H        LYS  45  -3.863  -9.293   3.754
  299    HA   LYS  45           HA       LYS  45  -6.125  -9.331   5.526
  300   2HB   LYS  45          2HB       LYS  45  -3.927  -9.388   7.138
  301   2HG   LYS  45          2HG       LYS  45  -4.061 -11.962   6.682
  302   2HD   LYS  45          2HD       LYS  45  -6.421 -10.231   7.519
  303   2HE   LYS  45          2HE       LYS  45  -6.171 -13.254   7.872
  304   1HZ   LYS  45          1HZ       LYS  45  -7.823 -12.944   9.269
  305   2HZ   LYS  45          2HZ       LYS  45  -7.680 -11.324   9.127
  306   3HZ   LYS  45          3HZ       LYS  45  -8.710 -12.141   8.158
  307    H    ALA  46           H        ALA  46  -3.944  -6.980   4.182
  308    HA   ALA  46           HA       ALA  46  -3.959  -5.166   6.352
  309   1HB   ALA  46          1HB       ALA  46  -3.140  -3.576   4.612
  310   2HB   ALA  46          2HB       ALA  46  -2.250  -5.117   4.605
  311   3HB   ALA  46          3HB       ALA  46  -3.487  -4.799   3.366
  312    H    ASP  47           H        ASP  47  -5.779  -5.249   3.201
  313    HA   ASP  47           HA       ASP  47  -7.300  -3.107   3.462
  314   2HB   ASP  47          2HB       ASP  47  -8.910  -5.506   2.767
  315    H    ALA  48           H        ALA  48  -8.228  -6.418   4.698
  316    HA   ALA  48           HA       ALA  48  -9.850  -7.016   6.128
  317   1HB   ALA  48          1HB       ALA  48  -8.729  -6.913   8.070
  318   2HB   ALA  48          2HB       ALA  48  -7.686  -5.646   7.379
  319   3HB   ALA  48          3HB       ALA  48  -9.168  -5.198   8.258
  320    H    ASN  49           H        ASN  49 -11.059  -5.403   4.294
  321    HA   ASN  49           HA       ASN  49 -12.947  -4.031   5.989
  322   2HB   ASN  49          2HB       ASN  49 -11.604  -2.759   3.546
  323   1HD2  ASN  49          1HD2      ASN  49 -12.450  -0.886   2.788
  324   2HD2  ASN  49          2HD2      ASN  49 -14.019  -0.277   3.196
  325    H    GLY  50           H        GLY  50 -11.908  -5.005   2.648
  326   1HA   GLY  50          1HA       GLY  50 -13.921  -6.710   2.025
  327   2HA   GLY  50          2HA       GLY  50 -14.611  -5.142   1.656
  328    H    ASP  51           H        ASP  51 -12.711  -3.607   0.544
  329    HA   ASP  51           HA       ASP  51 -10.850  -4.814  -1.055
  330   2HB   ASP  51          2HB       ASP  51 -13.238  -4.073  -2.763
  331    H    GLY  52           H        GLY  52 -10.328  -2.642   0.191
  332   1HA   GLY  52          1HA       GLY  52 -11.097  -0.315  -1.463
  333   2HA   GLY  52          2HA       GLY  52 -10.709  -0.259   0.245
  334    H    TYR  53           H        TYR  53  -8.924   1.134   0.164
  335    HA   TYR  53           HA       TYR  53  -6.514  -0.069  -0.931
  336   2HB   TYR  53          2HB       TYR  53  -7.095   1.358  -2.774
  337    HD1  TYR  53           HD1      TYR  53  -8.921   2.426  -3.705
  338    HD2  TYR  53           HD2      TYR  53  -7.674   3.547   0.231
  339    HE1  TYR  53           HE1      TYR  53 -10.825   4.107  -3.573
  340    HE2  TYR  53           HE2      TYR  53  -9.582   5.223   0.350
  341    HH   TYR  53           HH       TYR  53 -11.940   5.351  -0.829
  342    H    ILE  54           H        ILE  54  -4.527   1.271  -0.239
  343    HA   ILE  54           HA       ILE  54  -5.016   2.124   2.513
  344    HB   ILE  54           HB       ILE  54  -2.998   0.570   1.174
  345   2HG1  ILE  54          2HG1      ILE  54  -3.926   1.112   3.971
  346   1HG2  ILE  54          1HG2      ILE  54  -1.071   1.598   2.516
  347   2HG2  ILE  54          2HG2      ILE  54  -1.561   2.410   1.009
  348   3HG2  ILE  54          3HG2      ILE  54  -2.070   3.070   2.582
  349   1HD1  ILE  54          1HD1      ILE  54  -4.920  -0.901   3.674
  350   2HD1  ILE  54          2HD1      ILE  54  -4.422  -0.823   1.967
  351   3HD1  ILE  54          3HD1      ILE  54  -3.383  -1.638   3.160
  352    H    THR  55           H        THR  55  -5.555   4.266   2.545
  353    HA   THR  55           HA       THR  55  -4.055   6.066   0.792
  354    HB   THR  55           HB       THR  55  -5.886   7.635   1.327
  355    HG1  THR  55           HG1      THR  55  -7.470   6.812   2.928
  356   1HG2  THR  55          1HG2      THR  55  -7.744   5.417   1.216
  357   2HG2  THR  55          2HG2      THR  55  -7.291   6.532  -0.095
  358   3HG2  THR  55          3HG2      THR  55  -6.359   5.038   0.163
  359    H    LEU  56           H        LEU  56  -2.921   7.891   1.554
  360    HA   LEU  56           HA       LEU  56  -1.223   7.522   3.592
  361   2HB   LEU  56          2HB       LEU  56  -0.824   9.896   3.572
  362    HG   LEU  56           HG       LEU  56  -0.934   8.386   1.159
  363   1HD1  LEU  56          1HD1      LEU  56  -2.522   9.586   0.047
  364   2HD1  LEU  56          2HD1      LEU  56  -2.211  11.077   0.968
  365   3HD1  LEU  56          3HD1      LEU  56  -1.093  10.579  -0.325
  366   1HD2  LEU  56          1HD2      LEU  56   1.092   9.374   0.738
  367   2HD2  LEU  56          2HD2      LEU  56   0.584  10.956   1.377
  368   3HD2  LEU  56          3HD2      LEU  56   0.965   9.626   2.496
  369    H    GLU  57           H        GLU  57  -4.572   8.801   3.809
  370    HA   GLU  57           HA       GLU  57  -4.365   9.516   6.500
  371   2HB   GLU  57          2HB       GLU  57  -6.116  10.442   5.079
  372   2HG   GLU  57          2HG       GLU  57  -7.214   7.593   4.952
  373    H    GLU  58           H        GLU  58  -5.578   6.552   4.812
  374    HA   GLU  58           HA       GLU  58  -6.306   5.288   7.211
  375   2HB   GLU  58          2HB       GLU  58  -5.723   4.100   4.462
  376   2HG   GLU  58          2HG       GLU  58  -6.455   2.894   7.015
  377    H    PHE  59           H        PHE  59  -3.326   5.501   5.270
  378    HA   PHE  59           HA       PHE  59  -2.017   3.300   6.414
  379   2HB   PHE  59          2HB       PHE  59  -0.479   5.762   5.619
  380    HD1  PHE  59           HD1      PHE  59   1.588   5.248   4.662
  381    HD2  PHE  59           HD2      PHE  59  -1.413   2.252   4.825
  382    HE1  PHE  59           HE1      PHE  59   3.253   3.538   3.884
  383    HE2  PHE  59           HE2      PHE  59   0.252   0.542   4.047
  384    HZ   PHE  59           HZ       PHE  59   2.565   1.205   3.586
  385    H    LEU  60           H        LEU  60  -2.267   6.775   7.319
  386    HA   LEU  60           HA       LEU  60  -0.370   6.448   9.453
  387   2HB   LEU  60          2HB       LEU  60  -0.781   8.773   9.894
  388    HG   LEU  60           HG       LEU  60  -0.348   7.974   7.065
  389   1HD1  LEU  60          1HD1      LEU  60  -2.025  10.052   7.317
  390   2HD1  LEU  60          2HD1      LEU  60  -0.475  10.910   7.491
  391   3HD1  LEU  60          3HD1      LEU  60  -0.796   9.939   6.034
  392   1HD2  LEU  60          1HD2      LEU  60   1.303   8.463   9.137
  393   2HD2  LEU  60          2HD2      LEU  60   1.767   8.673   7.432
  394   3HD2  LEU  60          3HD2      LEU  60   1.258  10.080   8.395
  395    H    GLU  61           H        GLU  61  -3.845   6.168   8.930
  396    HA   GLU  61           HA       GLU  61  -4.546   6.518  11.630
  397   2HB   GLU  61          2HB       GLU  61  -6.109   4.979   9.518
  398   2HG   GLU  61          2HG       GLU  61  -6.703   6.266  12.167
  399    H    PHE  62           H        PHE  62  -3.522   3.764   9.604
  400    HA   PHE  62           HA       PHE  62  -4.290   1.788  11.497
  401   2HB   PHE  62          2HB       PHE  62  -2.274   0.734   9.861
  402    HD1  PHE  62           HD1      PHE  62  -3.208  -1.264   9.229
  403    HD2  PHE  62           HD2      PHE  62  -5.589   2.240   8.990
  404    HE1  PHE  62           HE1      PHE  62  -5.133  -2.631   8.379
  405    HE2  PHE  62           HE2      PHE  62  -7.515   0.874   8.140
  406    HZ   PHE  62           HZ       PHE  62  -7.264  -1.546   7.844
  407    H    SER  63           H        SER  63  -1.432   3.828  10.942
  408    HA   SER  63           HA       SER  63   0.251   2.199  12.542
  409   2HB   SER  63          2HB       SER  63   1.272   4.876  12.347
  410    HG   SER  63           HG       SER  63   2.283   2.599  12.049
  411    H    LEU  64           H        LEU  64  -2.028   4.857  13.022
  412    HA   LEU  64           HA       LEU  64  -0.974   5.571  15.596
  413   2HB   LEU  64          2HB       LEU  64  -3.505   6.349  14.142
  414    HG   LEU  64           HG       LEU  64  -3.625   6.734  16.634
  415   1HD1  LEU  64          1HD1      LEU  64  -1.011   7.932  16.099
  416   2HD1  LEU  64          2HD1      LEU  64  -2.104   9.003  17.008
  417   3HD1  LEU  64          3HD1      LEU  64  -1.733   7.376  17.628
  418   1HD2  LEU  64          1HD2      LEU  64  -4.765   8.105  14.793
  419   2HD2  LEU  64          2HD2      LEU  64  -4.643   8.831  16.414
  420   3HD2  LEU  64          3HD2      LEU  64  -3.529   9.342  15.124
  Start of MODEL    2
    1   1H    SER   1          HT1       SER   1   5.636   7.912  14.818
    2    HA   SER   1           HA       SER   1   4.776   8.715  12.221
    3   2HB   SER   1          2HB       SER   1   6.944   9.608  14.141
    4    HG   SER   1           HG       SER   1   6.625  11.234  11.917
    5    H    ASP   2           H        ASP   2   7.926   7.527  13.628
    6    HA   ASP   2           HA       ASP   2   9.097   7.086  11.167
    7   2HB   ASP   2          2HB       ASP   2  10.854   6.083  12.384
    8    H    ASP   3           H        ASP   3   6.794   5.255  13.131
    9    HA   ASP   3           HA       ASP   3   7.343   2.766  11.881
   10   2HB   ASP   3          2HB       ASP   3   5.057   3.773  13.633
   11    H    LYS   4           H        LYS   4   6.990   4.551   9.805
   12    HA   LYS   4           HA       LYS   4   5.041   3.463   8.243
   13   2HB   LYS   4          2HB       LYS   4   3.811   6.059   8.719
   14   2HG   LYS   4          2HG       LYS   4   2.867   4.090   7.426
   15   2HD   LYS   4          2HD       LYS   4   2.364   2.938  10.208
   16   2HE   LYS   4          2HE       LYS   4   2.191   1.219   7.802
   17   1HZ   LYS   4          1HZ       LYS   4   1.032   0.211   9.363
   18   2HZ   LYS   4          2HZ       LYS   4   1.017   1.521  10.338
   19   3HZ   LYS   4          3HZ       LYS   4  -0.144   1.333   9.204
   20    H    ILE   5           H        ILE   5   6.975   6.285   9.212
   21    HA   ILE   5           HA       ILE   5   7.006   7.841   7.037
   22    HB   ILE   5           HB       ILE   5   8.326   8.077   9.140
   23   2HG1  ILE   5          2HG1      ILE   5   9.930   8.531   6.609
   24   1HG2  ILE   5          1HG2      ILE   5  10.507   7.109   9.343
   25   2HG2  ILE   5          2HG2      ILE   5   9.340   5.795   9.060
   26   3HG2  ILE   5          3HG2      ILE   5  10.386   6.359   7.734
   27   1HD1  ILE   5          1HD1      ILE   5   7.808   9.485   6.121
   28   2HD1  ILE   5          2HD1      ILE   5   7.538   9.963   7.815
   29   3HD1  ILE   5          3HD1      ILE   5   8.732  10.835   6.824
   30    H    GLY   6           H        GLY   6   9.003   4.828   7.407
   31   1HA   GLY   6          1HA       GLY   6  10.115   4.863   4.851
   32   2HA   GLY   6          2HA       GLY   6   9.895   3.454   5.871
   33    H    LEU   7           H        LEU   7   7.425   2.706   6.018
   34    HA   LEU   7           HA       LEU   7   6.696   1.681   3.625
   35   2HB   LEU   7          2HB       LEU   7   4.368   2.302   5.237
   36    HG   LEU   7           HG       LEU   7   4.570   0.261   3.844
   37   1HD1  LEU   7          1HD1      LEU   7   5.927  -1.644   4.794
   38   2HD1  LEU   7          2HD1      LEU   7   6.861  -0.324   4.050
   39   3HD1  LEU   7          3HD1      LEU   7   6.746  -0.445   5.822
   40   1HD2  LEU   7          1HD2      LEU   7   4.303  -0.620   6.707
   41   2HD2  LEU   7          2HD2      LEU   7   3.136   0.516   5.987
   42   3HD2  LEU   7          3HD2      LEU   7   3.358  -1.102   5.278
   43    H    LYS   8           H        LYS   8   5.867   4.900   4.982
   44    HA   LYS   8           HA       LYS   8   3.995   5.560   2.997
   45   2HB   LYS   8          2HB       LYS   8   5.711   7.329   4.766
   46   2HG   LYS   8          2HG       LYS   8   3.065   7.950   3.381
   47   2HD   LYS   8          2HD       LYS   8   3.774   9.166   5.554
   48   2HE   LYS   8          2HE       LYS   8   6.232   9.354   4.279
   49   1HZ   LYS   8          1HZ       LYS   8   5.119  12.051   4.229
   50   2HZ   LYS   8          2HZ       LYS   8   6.495  11.499   3.545
   51   3HZ   LYS   8          3HZ       LYS   8   5.048  11.109   2.898
   52    H    VAL   9           H        VAL   9   7.558   6.087   3.307
   53    HA   VAL   9           HA       VAL   9   7.931   7.653   1.089
   54    HB   VAL   9           HB       VAL   9   9.654   5.487   2.303
   55   1HG1  VAL   9          1HG1      VAL   9  11.075   7.622   0.909
   56   2HG1  VAL   9          2HG1      VAL   9  11.272   5.856   0.801
   57   3HG1  VAL   9          3HG1      VAL   9  10.038   6.676  -0.187
   58   1HG2  VAL   9          1HG2      VAL   9   9.841   6.953   3.980
   59   2HG2  VAL   9          2HG2      VAL   9  10.716   8.018   2.853
   60   3HG2  VAL   9          3HG2      VAL   9   8.960   8.205   3.073
   61    H    LEU  10           H        LEU  10   8.196   4.026   1.244
   62    HA   LEU  10           HA       LEU  10   8.461   3.689  -1.498
   63   2HB   LEU  10          2HB       LEU  10   7.198   1.407  -0.532
   64    HG   LEU  10           HG       LEU  10   9.552   1.818  -1.702
   65   1HD1  LEU  10          1HD1      LEU  10  10.331   1.386   1.195
   66   2HD1  LEU  10          2HD1      LEU  10  11.425   1.400  -0.209
   67   3HD1  LEU  10          3HD1      LEU  10  10.568   2.885   0.265
   68   1HD2  LEU  10          1HD2      LEU  10   9.131  -0.554   0.130
   69   2HD2  LEU  10          2HD2      LEU  10   8.280  -0.326  -1.416
   70   3HD2  LEU  10          3HD2      LEU  10  10.051  -0.494  -1.392
   71    H    TYR  11           H        TYR  11   5.520   3.635   0.615
   72    HA   TYR  11           HA       TYR  11   3.669   2.992  -1.311
   73   2HB   TYR  11          2HB       TYR  11   3.857   4.582   1.262
   74    HD1  TYR  11           HD1      TYR  11   2.088   5.822   2.329
   75    HD2  TYR  11           HD2      TYR  11   1.578   4.311  -1.641
   76    HE1  TYR  11           HE1      TYR  11   0.016   7.266   2.038
   77    HE2  TYR  11           HE2      TYR  11  -0.493   5.760  -1.917
   78    HH   TYR  11           HH       TYR  11  -2.240   6.765  -0.112
   79    H    LYS  12           H        LYS  12   4.669   6.327  -0.250
   80    HA   LYS  12           HA       LYS  12   3.106   7.696  -2.063
   81   2HB   LYS  12          2HB       LYS  12   5.659   8.332  -0.599
   82   2HG   LYS  12          2HG       LYS  12   4.956  10.772  -1.386
   83   2HD   LYS  12          2HD       LYS  12   6.287   9.440  -3.670
   84   2HE   LYS  12          2HE       LYS  12   8.195  10.929  -2.431
   85   1HZ   LYS  12          1HZ       LYS  12   7.717  11.794  -4.406
   86   2HZ   LYS  12          2HZ       LYS  12   6.117  11.487  -4.310
   87   3HZ   LYS  12          3HZ       LYS  12   6.735  12.822  -3.602
   88    H    LEU  13           H        LEU  13   6.232   6.029  -2.465
   89    HA   LEU  13           HA       LEU  13   6.641   7.160  -5.074
   90   2HB   LEU  13          2HB       LEU  13   8.067   5.187  -3.326
   91    HG   LEU  13           HG       LEU  13   8.150   4.550  -5.883
   92   1HD1  LEU  13          1HD1      LEU  13  10.223   6.754  -5.824
   93   2HD1  LEU  13          2HD1      LEU  13   9.762   5.715  -7.194
   94   3HD1  LEU  13          3HD1      LEU  13   8.614   6.922  -6.568
   95   1HD2  LEU  13          1HD2      LEU  13   9.636   3.893  -3.788
   96   2HD2  LEU  13          2HD2      LEU  13  10.084   3.425  -5.446
   97   3HD2  LEU  13          3HD2      LEU  13  10.865   4.827  -4.675
   98    H    MET  14           H        MET  14   4.939   4.459  -3.630
   99    HA   MET  14           HA       MET  14   4.984   2.846  -5.945
  100   2HB   MET  14          2HB       MET  14   3.090   1.653  -4.678
  101   2HG   MET  14          2HG       MET  14   4.864   1.861  -2.430
  102   1HE   MET  14          1HE       MET  14   6.221  -1.192  -5.323
  103   2HE   MET  14          2HE       MET  14   6.685   0.504  -5.052
  104   3HE   MET  14          3HE       MET  14   7.066  -0.729  -3.826
  105    H    ASP  15           H        ASP  15   2.392   4.866  -4.374
  106    HA   ASP  15           HA       ASP  15   0.368   4.539  -5.997
  107   2HB   ASP  15          2HB       ASP  15   1.520   7.168  -4.974
  108    H    VAL  16           H        VAL  16   0.704   4.110  -8.230
  109    HA   VAL  16           HA       VAL  16   2.024   6.256  -9.745
  110    HB   VAL  16           HB       VAL  16   3.178   4.032  -9.651
  111   1HG1  VAL  16          1HG1      VAL  16   1.075   2.666  -9.672
  112   2HG1  VAL  16          2HG1      VAL  16   0.879   3.084 -11.391
  113   3HG1  VAL  16          3HG1      VAL  16   2.296   2.146 -10.858
  114   1HG2  VAL  16          1HG2      VAL  16   3.526   3.909 -12.148
  115   2HG2  VAL  16          2HG2      VAL  16   2.234   5.122 -12.319
  116   3HG2  VAL  16          3HG2      VAL  16   3.726   5.527 -11.435
  117    H    ASP  17           H        ASP  17  -0.751   4.029  -9.413
  118    HA   ASP  17           HA       ASP  17  -2.029   4.194 -11.693
  119   2HB   ASP  17          2HB       ASP  17  -3.142   4.682  -8.898
  120    H    GLY  18           H        GLY  18  -2.776   6.617  -9.067
  121   1HA   GLY  18          1HA       GLY  18  -2.268   8.994  -9.804
  122   2HA   GLY  18          2HA       GLY  18  -3.302   8.622 -11.169
  123    H    ASP  19           H        ASP  19  -3.631   7.597  -7.710
  124    HA   ASP  19           HA       ASP  19  -6.079   9.175  -7.648
  125   2HB   ASP  19          2HB       ASP  19  -7.166   7.387  -6.359
  126    H    GLY  20           H        GLY  20  -3.441   7.457  -5.860
  127   1HA   GLY  20          1HA       GLY  20  -2.192   8.796  -4.259
  128   2HA   GLY  20          2HA       GLY  20  -3.716   9.443  -3.683
  129    H    LYS  21           H        LYS  21  -4.988   6.638  -4.113
  130    HA   LYS  21           HA       LYS  21  -4.110   5.613  -1.527
  131   2HB   LYS  21          2HB       LYS  21  -6.450   6.050  -1.627
  132   2HG   LYS  21          2HG       LYS  21  -7.424   4.209  -3.574
  133   2HD   LYS  21          2HD       LYS  21  -7.415   7.030  -4.417
  134   2HE   LYS  21          2HE       LYS  21  -9.880   5.882  -3.257
  135   1HZ   LYS  21          1HZ       LYS  21  -8.976   7.069  -5.747
  136   2HZ   LYS  21          2HZ       LYS  21 -10.367   6.214  -5.757
  137   3HZ   LYS  21          3HZ       LYS  21 -10.213   7.512  -4.779
  138    H    LEU  22           H        LEU  22  -3.530   3.396  -1.226
  139    HA   LEU  22           HA       LEU  22  -2.411   2.247  -3.658
  140   2HB   LEU  22          2HB       LEU  22  -1.211   0.775  -2.017
  141    HG   LEU  22           HG       LEU  22  -0.601   3.546  -1.106
  142   1HD1  LEU  22          1HD1      LEU  22   1.272   2.504  -0.538
  143   2HD1  LEU  22          2HD1      LEU  22   0.737   1.012  -1.350
  144   3HD1  LEU  22          3HD1      LEU  22   1.624   2.255  -2.265
  145   1HD2  LEU  22          1HD2      LEU  22  -1.322   3.910  -3.424
  146   2HD2  LEU  22          2HD2      LEU  22   0.427   4.172  -3.222
  147   3HD2  LEU  22          3HD2      LEU  22  -0.167   2.672  -3.975
  148    H    THR  23           H        THR  23  -4.141   1.275  -4.719
  149    HA   THR  23           HA       THR  23  -5.828  -0.523  -3.156
  150    HB   THR  23           HB       THR  23  -7.377  -0.205  -4.886
  151    HG1  THR  23           HG1      THR  23  -6.599  -0.539  -6.941
  152   1HG2  THR  23          1HG2      THR  23  -6.097   2.143  -4.183
  153   2HG2  THR  23          2HG2      THR  23  -5.818   2.114  -5.941
  154   3HG2  THR  23          3HG2      THR  23  -7.479   2.067  -5.302
  155    H    LYS  24           H        LYS  24  -6.317  -2.711  -4.034
  156    HA   LYS  24           HA       LYS  24  -3.999  -4.200  -4.203
  157   2HB   LYS  24          2HB       LYS  24  -6.623  -5.153  -5.331
  158   2HG   LYS  24          2HG       LYS  24  -4.594  -6.435  -3.445
  159   2HD   LYS  24          2HD       LYS  24  -5.793  -8.517  -4.560
  160   2HE   LYS  24          2HE       LYS  24  -6.727  -6.752  -2.302
  161   1HZ   LYS  24          1HZ       LYS  24  -8.281  -8.824  -3.602
  162   2HZ   LYS  24          2HZ       LYS  24  -8.291  -8.780  -1.970
  163   3HZ   LYS  24          3HZ       LYS  24  -8.787  -7.480  -2.823
  164    H    GLU  25           H        GLU  25  -6.389  -3.675  -6.896
  165    HA   GLU  25           HA       GLU  25  -5.012  -4.728  -8.897
  166   2HB   GLU  25          2HB       GLU  25  -6.038  -2.233  -9.898
  167   2HG   GLU  25          2HG       GLU  25  -7.716  -4.730  -9.741
  168    H    GLU  26           H        GLU  26  -4.664  -1.266  -7.829
  169    HA   GLU  26           HA       GLU  26  -2.595  -0.720  -9.594
  170   2HB   GLU  26          2HB       GLU  26  -3.320   0.581  -6.931
  171   2HG   GLU  26          2HG       GLU  26  -1.719   1.728  -9.265
  172    H    VAL  27           H        VAL  27  -2.689  -2.184  -6.346
  173    HA   VAL  27           HA       VAL  27   0.072  -1.891  -5.812
  174    HB   VAL  27           HB       VAL  27  -2.267  -3.318  -4.683
  175   1HG1  VAL  27          1HG1      VAL  27  -0.519  -4.405  -3.028
  176   2HG1  VAL  27          2HG1      VAL  27  -0.989  -5.231  -4.533
  177   3HG1  VAL  27          3HG1      VAL  27   0.546  -4.334  -4.452
  178   1HG2  VAL  27          1HG2      VAL  27  -0.227  -1.315  -3.854
  179   2HG2  VAL  27          2HG2      VAL  27  -1.978  -1.377  -3.532
  180   3HG2  VAL  27          3HG2      VAL  27  -0.861  -2.387  -2.582
  181    H    THR  28           H        THR  28  -1.780  -4.948  -6.475
  182    HA   THR  28           HA       THR  28   0.329  -6.558  -7.032
  183    HB   THR  28           HB       THR  28  -2.483  -6.409  -8.225
  184    HG1  THR  28           HG1      THR  28  -2.076  -6.777  -5.874
  185   1HG2  THR  28          1HG2      THR  28  -2.116  -8.340  -9.402
  186   2HG2  THR  28          2HG2      THR  28  -0.378  -8.006  -9.221
  187   3HG2  THR  28          3HG2      THR  28  -1.208  -9.060  -8.051
  188    H    SER  29           H        SER  29  -1.081  -4.057  -9.153
  189    HA   SER  29           HA       SER  29   0.178  -4.889 -11.470
  190   2HB   SER  29          2HB       SER  29  -0.860  -2.215 -10.486
  191    HG   SER  29           HG       SER  29   0.501  -1.386 -11.971
  192    H    PHE  30           H        PHE  30   1.111  -2.258  -9.125
  193    HA   PHE  30           HA       PHE  30   3.649  -1.909 -10.337
  194   2HB   PHE  30          2HB       PHE  30   3.042  -1.183  -7.457
  195    HD1  PHE  30           HD1      PHE  30   3.484   0.395 -10.824
  196    HD2  PHE  30           HD2      PHE  30   4.692   0.250  -6.759
  197    HE1  PHE  30           HE1      PHE  30   5.153   2.219 -11.255
  198    HE2  PHE  30           HE2      PHE  30   6.360   2.074  -7.189
  199    HZ   PHE  30           HZ       PHE  30   6.572   3.037  -9.433
  200    H    PHE  31           H        PHE  31   2.362  -3.833  -7.606
  201    HA   PHE  31           HA       PHE  31   4.944  -4.474  -6.591
  202   2HB   PHE  31          2HB       PHE  31   3.287  -6.350  -5.544
  203    HD1  PHE  31           HD1      PHE  31   2.165  -2.794  -5.635
  204    HD2  PHE  31           HD2      PHE  31   4.030  -5.882  -3.401
  205    HE1  PHE  31           HE1      PHE  31   2.229  -1.297  -3.621
  206    HE2  PHE  31           HE2      PHE  31   4.094  -4.386  -1.386
  207    HZ   PHE  31           HZ       PHE  31   3.193  -2.112  -1.521
  208    H    LYS  32           H        LYS  32   2.955  -5.610  -9.225
  209    HA   LYS  32           HA       LYS  32   3.625  -8.291  -9.293
  210   2HB   LYS  32          2HB       LYS  32   3.459  -7.500 -11.952
  211   2HG   LYS  32          2HG       LYS  32   0.842  -7.843 -11.268
  212   2HD   LYS  32          2HD       LYS  32   2.976 -10.031 -11.236
  213   2HE   LYS  32          2HE       LYS  32   0.035 -10.230 -12.024
  214   1HZ   LYS  32          1HZ       LYS  32   1.991 -11.821 -12.679
  215   2HZ   LYS  32          2HZ       LYS  32   1.687 -12.453 -11.204
  216   3HZ   LYS  32          3HZ       LYS  32   0.503 -12.394 -12.327
  217    H    LYS  33           H        LYS  33   5.604  -5.458  -9.720
  218    HA   LYS  33           HA       LYS  33   7.605  -6.881 -11.244
  219   2HB   LYS  33          2HB       LYS  33   8.045  -4.174 -10.033
  220   2HG   LYS  33          2HG       LYS  33   8.514  -5.007 -12.898
  221   2HD   LYS  33          2HD       LYS  33  10.155  -3.355 -10.921
  222   2HE   LYS  33          2HE       LYS  33  10.633  -2.581 -13.599
  223   1HZ   LYS  33          1HZ       LYS  33  12.205  -4.344 -11.852
  224   2HZ   LYS  33          2HZ       LYS  33  12.785  -3.511 -13.130
  225   3HZ   LYS  33          3HZ       LYS  33  12.234  -2.711 -11.818
  226    H    HIS  34           H        HIS  34   6.673  -6.389  -7.935
  227    HA   HIS  34           HA       HIS  34   9.359  -7.159  -7.070
  228   2HB   HIS  34          2HB       HIS  34   8.726  -6.335  -4.870
  229    HD1  HIS  34           HD1      HIS  34   7.293  -4.376  -7.859
  230    HD2  HIS  34           HD2      HIS  34  10.051  -3.967  -4.724
  231    HE1  HIS  34           HE1      HIS  34   8.324  -2.056  -8.112
  232    H    GLY  35           H        GLY  35   7.536  -7.838  -4.473
  233   1HA   GLY  35          1HA       GLY  35   7.178 -10.647  -5.298
  234   2HA   GLY  35          2HA       GLY  35   7.485 -10.072  -3.671
  235    H    ILE  36           H        ILE  36   5.150  -8.821  -6.144
  236    HA   ILE  36           HA       ILE  36   3.112  -8.112  -4.670
  237    HB   ILE  36           HB       ILE  36   2.888  -7.940  -6.972
  238   2HG1  ILE  36          2HG1      ILE  36   0.690  -8.497  -7.301
  239   1HG2  ILE  36          1HG2      ILE  36   2.760  -9.907  -8.500
  240   2HG2  ILE  36          2HG2      ILE  36   4.342  -9.697  -7.712
  241   3HG2  ILE  36          3HG2      ILE  36   3.216 -10.946  -7.128
  242   1HD1  ILE  36          1HD1      ILE  36  -0.224 -10.679  -6.098
  243   2HD1  ILE  36          2HD1      ILE  36   0.626 -10.811  -7.657
  244   3HD1  ILE  36          3HD1      ILE  36   1.487 -11.171  -6.141
  245    H    GLU  37           H        GLU  37   3.921 -11.560  -5.366
  246    HA   GLU  37           HA       GLU  37   1.827 -12.830  -4.357
  247   2HB   GLU  37          2HB       GLU  37   4.205 -14.059  -3.226
  248   2HG   GLU  37          2HG       GLU  37   3.666 -15.384  -5.576
  249    H    LYS  38           H        LYS  38   4.657 -11.787  -2.311
  250    HA   LYS  38           HA       LYS  38   3.589 -12.486   0.118
  251   2HB   LYS  38          2HB       LYS  38   5.239 -11.040   1.085
  252   2HG   LYS  38          2HG       LYS  38   6.891 -11.488  -1.256
  253   2HD   LYS  38          2HD       LYS  38   6.577 -12.547   1.534
  254   2HE   LYS  38          2HE       LYS  38   8.601 -14.133   0.788
  255   1HZ   LYS  38          1HZ       LYS  38   7.095 -15.571   1.447
  256   2HZ   LYS  38          2HZ       LYS  38   5.885 -14.501   1.208
  257   3HZ   LYS  38          3HZ       LYS  38   6.332 -15.509   0.005
  258    H    VAL  39           H        VAL  39   3.557  -9.148  -1.334
  259    HA   VAL  39           HA       VAL  39   1.882  -8.018   0.513
  260    HB   VAL  39           HB       VAL  39   3.165  -7.260  -1.781
  261   1HG1  VAL  39          1HG1      VAL  39   0.298  -6.559  -2.365
  262   2HG1  VAL  39          2HG1      VAL  39   1.712  -6.562  -3.447
  263   3HG1  VAL  39          3HG1      VAL  39   0.972  -8.101  -2.947
  264   1HG2  VAL  39          1HG2      VAL  39   3.054  -5.635  -0.171
  265   2HG2  VAL  39          2HG2      VAL  39   1.816  -5.014  -1.290
  266   3HG2  VAL  39          3HG2      VAL  39   1.330  -5.922   0.163
  267    H    ALA  40           H        ALA  40   1.171 -10.302  -2.091
  268    HA   ALA  40           HA       ALA  40  -1.554  -9.790  -2.374
  269   1HB   ALA  40          1HB       ALA  40  -1.450 -11.569  -3.786
  270   2HB   ALA  40          2HB       ALA  40   0.306 -11.451  -3.517
  271   3HB   ALA  40          3HB       ALA  40  -0.662 -12.610  -2.575
  272    H    GLU  41           H        GLU  41   0.203 -12.172  -0.263
  273    HA   GLU  41           HA       GLU  41  -2.173 -12.985   0.988
  274   2HB   GLU  41          2HB       GLU  41   0.580 -13.266   2.223
  275   2HG   GLU  41          2HG       GLU  41  -1.935 -14.982   2.055
  276    H    GLN  42           H        GLN  42   0.467 -10.671   1.836
  277    HA   GLN  42           HA       GLN  42  -0.442 -10.114   4.385
  278   2HB   GLN  42          2HB       GLN  42   0.785  -7.799   3.074
  279   2HG   GLN  42          2HG       GLN  42   1.969  -9.796   5.052
  280   1HE2  GLN  42          1HE2      GLN  42   3.438  -8.733   6.518
  281   2HE2  GLN  42          2HE2      GLN  42   4.404  -7.399   5.982
  282    H    VAL  43           H        VAL  43  -0.982  -8.329   1.263
  283    HA   VAL  43           HA       VAL  43  -2.734  -6.450   2.401
  284    HB   VAL  43           HB       VAL  43  -1.377  -6.457   0.192
  285   1HG1  VAL  43          1HG1      VAL  43  -3.951  -7.339  -1.073
  286   2HG1  VAL  43          2HG1      VAL  43  -2.296  -7.340  -1.730
  287   3HG1  VAL  43          3HG1      VAL  43  -2.780  -8.569  -0.537
  288   1HG2  VAL  43          1HG2      VAL  43  -2.942  -4.670   1.096
  289   2HG2  VAL  43          2HG2      VAL  43  -2.720  -4.697  -0.670
  290   3HG2  VAL  43          3HG2      VAL  43  -4.201  -5.372   0.050
  291    H    MET  44           H        MET  44  -3.099  -9.778   1.268
  292    HA   MET  44           HA       MET  44  -5.813  -9.727   0.752
  293   2HB   MET  44          2HB       MET  44  -5.285 -12.285   1.770
  294   2HG   MET  44          2HG       MET  44  -4.235 -12.472  -0.769
  295   1HE   MET  44          1HE       MET  44  -4.999 -14.088  -1.669
  296   2HE   MET  44          2HE       MET  44  -6.405 -15.049  -1.151
  297   3HE   MET  44          3HE       MET  44  -6.543 -13.950  -2.544
  298    H    LYS  45           H        LYS  45  -3.991 -10.480   3.796
  299    HA   LYS  45           HA       LYS  45  -6.444 -10.820   5.253
  300   2HB   LYS  45          2HB       LYS  45  -4.847 -11.069   7.193
  301   2HG   LYS  45          2HG       LYS  45  -3.626 -13.016   5.487
  302   2HD   LYS  45          2HD       LYS  45  -4.606 -13.310   7.816
  303   2HE   LYS  45          2HE       LYS  45  -7.252 -13.625   6.335
  304   1HZ   LYS  45          1HZ       LYS  45  -7.491 -13.057   9.005
  305   2HZ   LYS  45          2HZ       LYS  45  -7.785 -14.486   8.272
  306   3HZ   LYS  45          3HZ       LYS  45  -6.312 -14.183   8.910
  307    H    ALA  46           H        ALA  46  -4.306  -8.216   4.330
  308    HA   ALA  46           HA       ALA  46  -4.991  -6.521   6.531
  309   1HB   ALA  46          1HB       ALA  46  -3.598  -4.939   5.455
  310   2HB   ALA  46          2HB       ALA  46  -2.863  -6.511   5.060
  311   3HB   ALA  46          3HB       ALA  46  -3.861  -5.667   3.852
  312    H    ASP  47           H        ASP  47  -5.874  -6.721   3.014
  313    HA   ASP  47           HA       ASP  47  -7.858  -4.713   3.396
  314   2HB   ASP  47          2HB       ASP  47  -7.723  -6.522   0.975
  315    H    ALA  48           H        ALA  48  -8.510  -6.640   5.217
  316    HA   ALA  48           HA       ALA  48 -10.191  -8.663   4.059
  317   1HB   ALA  48          1HB       ALA  48 -10.218  -9.557   6.190
  318   2HB   ALA  48          2HB       ALA  48  -8.712  -8.615   6.280
  319   3HB   ALA  48          3HB       ALA  48 -10.213  -7.961   6.978
  320    H    ASN  49           H        ASN  49 -10.454  -5.322   4.880
  321    HA   ASN  49           HA       ASN  49 -12.984  -5.166   5.886
  322   2HB   ASN  49          2HB       ASN  49 -12.163  -3.130   3.819
  323   1HD2  ASN  49          1HD2      ASN  49 -12.690  -1.059   4.469
  324   2HD2  ASN  49          2HD2      ASN  49 -13.744  -0.719   5.801
  325    H    GLY  50           H        GLY  50 -11.785  -5.893   2.630
  326   1HA   GLY  50          1HA       GLY  50 -13.896  -7.094   1.547
  327   2HA   GLY  50          2HA       GLY  50 -14.355  -5.415   1.348
  328    H    ASP  51           H        ASP  51 -12.126  -4.029   0.682
  329    HA   ASP  51           HA       ASP  51 -10.170  -5.020  -0.779
  330   2HB   ASP  51          2HB       ASP  51 -11.487  -4.538  -3.173
  331    H    GLY  52           H        GLY  52  -9.920  -2.822   0.428
  332   1HA   GLY  52          1HA       GLY  52 -10.865  -0.543  -1.183
  333   2HA   GLY  52          2HA       GLY  52 -10.337  -0.495   0.488
  334    H    TYR  53           H        TYR  53  -8.581   0.883   0.457
  335    HA   TYR  53           HA       TYR  53  -6.214  -0.087  -0.865
  336   2HB   TYR  53          2HB       TYR  53  -7.009   1.241  -2.702
  337    HD1  TYR  53           HD1      TYR  53  -8.928   2.195  -3.572
  338    HD2  TYR  53           HD2      TYR  53  -7.600   3.420   0.307
  339    HE1  TYR  53           HE1      TYR  53 -10.939   3.736  -3.362
  340    HE2  TYR  53           HE2      TYR  53  -9.617   4.957   0.503
  341    HH   TYR  53           HH       TYR  53 -12.212   4.827  -1.790
  342    H    ILE  54           H        ILE  54  -4.305   1.471  -0.358
  343    HA   ILE  54           HA       ILE  54  -4.660   2.302   2.418
  344    HB   ILE  54           HB       ILE  54  -2.602   0.968   0.918
  345   2HG1  ILE  54          2HG1      ILE  54  -3.339   1.444   3.783
  346   1HG2  ILE  54          1HG2      ILE  54  -1.430   2.990   0.624
  347   2HG2  ILE  54          2HG2      ILE  54  -1.819   3.554   2.267
  348   3HG2  ILE  54          3HG2      ILE  54  -0.680   2.205   2.034
  349   1HD1  ILE  54          1HD1      ILE  54  -4.308  -0.560   3.353
  350   2HD1  ILE  54          2HD1      ILE  54  -3.500  -0.675   1.771
  351   3HD1  ILE  54          3HD1      ILE  54  -2.667  -1.239   3.239
  352    H    THR  55           H        THR  55  -5.413   4.373   2.517
  353    HA   THR  55           HA       THR  55  -4.265   6.316   0.649
  354    HB   THR  55           HB       THR  55  -6.224   7.672   1.311
  355    HG1  THR  55           HG1      THR  55  -7.627   6.593   2.973
  356   1HG2  THR  55          1HG2      THR  55  -6.466   5.046   0.149
  357   2HG2  THR  55          2HG2      THR  55  -7.812   5.247   1.296
  358   3HG2  THR  55          3HG2      THR  55  -7.586   6.418  -0.026
  359    H    LEU  56           H        LEU  56  -3.147   8.146   1.288
  360    HA   LEU  56           HA       LEU  56  -1.365   7.998   3.258
  361   2HB   LEU  56          2HB       LEU  56  -2.500  10.698   2.968
  362    HG   LEU  56           HG       LEU  56   0.185   9.537   2.170
  363   1HD1  LEU  56          1HD1      LEU  56   0.840  12.002   2.188
  364   2HD1  LEU  56          2HD1      LEU  56  -0.146  11.434   0.820
  365   3HD1  LEU  56          3HD1      LEU  56  -0.905  12.353   2.142
  366   1HD2  LEU  56          1HD2      LEU  56  -0.480  11.245   4.580
  367   2HD2  LEU  56          2HD2      LEU  56  -0.299   9.475   4.620
  368   3HD2  LEU  56          3HD2      LEU  56   1.084  10.502   4.170
  369    H    GLU  57           H        GLU  57  -4.786   9.043   3.610
  370    HA   GLU  57           HA       GLU  57  -4.491   9.819   6.281
  371   2HB   GLU  57          2HB       GLU  57  -6.350  10.618   4.899
  372   2HG   GLU  57          2HG       GLU  57  -7.454   7.777   5.019
  373    H    GLU  58           H        GLU  58  -5.780   6.805   4.717
  374    HA   GLU  58           HA       GLU  58  -6.296   5.529   7.135
  375   2HB   GLU  58          2HB       GLU  58  -5.664   4.233   4.448
  376   2HG   GLU  58          2HG       GLU  58  -6.493   3.203   7.029
  377    H    PHE  59           H        PHE  59  -3.417   5.654   4.984
  378    HA   PHE  59           HA       PHE  59  -1.978   3.625   6.256
  379   2HB   PHE  59          2HB       PHE  59  -0.553   6.041   5.168
  380    HD1  PHE  59           HD1      PHE  59  -1.460   2.466   4.672
  381    HD2  PHE  59           HD2      PHE  59   1.485   5.483   4.190
  382    HE1  PHE  59           HE1      PHE  59   0.200   0.729   3.942
  383    HE2  PHE  59           HE2      PHE  59   3.145   3.746   3.462
  384    HZ   PHE  59           HZ       PHE  59   2.482   1.390   3.346
  385    H    LEU  60           H        LEU  60  -2.386   7.121   6.939
  386    HA   LEU  60           HA       LEU  60  -0.297   7.114   8.904
  387   2HB   LEU  60          2HB       LEU  60  -2.389   9.240   8.615
  388    HG   LEU  60           HG       LEU  60   0.215   9.087   9.841
  389   1HD1  LEU  60          1HD1      LEU  60   0.768  11.486   8.737
  390   2HD1  LEU  60          2HD1      LEU  60   1.463   9.948   8.169
  391   3HD1  LEU  60          3HD1      LEU  60   0.060  10.655   7.332
  392   1HD2  LEU  60          1HD2      LEU  60  -1.968  11.164   9.650
  393   2HD2  LEU  60          2HD2      LEU  60  -1.556  10.097  11.014
  394   3HD2  LEU  60          3HD2      LEU  60  -0.466  11.432  10.568
  395    H    GLU  61           H        GLU  61  -3.867   7.784   9.116
  396    HA   GLU  61           HA       GLU  61  -4.151   7.710  11.748
  397   2HB   GLU  61          2HB       GLU  61  -6.419   6.356  11.045
  398   2HG   GLU  61          2HG       GLU  61  -5.565   9.238  10.669
  399    H    PHE  62           H        PHE  62  -3.712   4.873   9.595
  400    HA   PHE  62           HA       PHE  62  -4.393   2.825  11.223
  401   2HB   PHE  62          2HB       PHE  62  -1.865   2.192  10.002
  402    HD1  PHE  62           HD1      PHE  62  -2.138   0.119   9.040
  403    HD2  PHE  62           HD2      PHE  62  -5.379   2.856   8.911
  404    HE1  PHE  62           HE1      PHE  62  -3.568  -1.625   7.939
  405    HE2  PHE  62           HE2      PHE  62  -6.808   1.112   7.811
  406    HZ   PHE  62           HZ       PHE  62  -5.886  -1.108   7.338
  407    H    SER  63           H        SER  63  -1.326   4.735  11.275
  408    HA   SER  63           HA       SER  63  -0.266   3.107  13.349
  409   2HB   SER  63          2HB       SER  63   0.741   5.851  12.513
  410    HG   SER  63           HG       SER  63   2.356   3.554  13.056
  411    H    LEU  64           H        LEU  64  -1.685   6.421  13.028
  412    HA   LEU  64           HA       LEU  64  -1.441   6.895  15.852
  413   2HB   LEU  64          2HB       LEU  64  -3.170   8.626  14.203
  414    HG   LEU  64           HG       LEU  64  -1.955   9.063  16.549
  415   1HD1  LEU  64          1HD1      LEU  64   0.051  10.110  14.533
  416   2HD1  LEU  64          2HD1      LEU  64   0.076  10.365  16.294
  417   3HD1  LEU  64          3HD1      LEU  64   0.305   8.730  15.628
  418   1HD2  LEU  64          1HD2      LEU  64  -3.217  10.858  16.199
  419   2HD2  LEU  64          2HD2      LEU  64  -1.826  11.587  15.361
  420   3HD2  LEU  64          3HD2      LEU  64  -3.063  10.707  14.433
  Start of MODEL    3
    1   1H    SER   1          HT1       SER   1   6.507   6.163  14.640
    2    HA   SER   1           HA       SER   1   5.916   7.747  12.799
    3   2HB   SER   1          2HB       SER   1   8.527   7.817  14.335
    4    HG   SER   1           HG       SER   1   7.440  10.036  12.833
    5    H    ASP   2           H        ASP   2   9.402   6.692  12.657
    6    HA   ASP   2           HA       ASP   2   9.647   7.436   9.990
    7   2HB   ASP   2          2HB       ASP   2  11.846   6.598  10.153
    8    H    ASP   3           H        ASP   3   8.800   4.398  11.705
    9    HA   ASP   3           HA       ASP   3   9.157   2.634   9.632
   10   2HB   ASP   3          2HB       ASP   3   7.214   1.369  10.874
   11    H    LYS   4           H        LYS   4   6.664   5.057  10.321
   12    HA   LYS   4           HA       LYS   4   4.788   3.913   8.443
   13   2HB   LYS   4          2HB       LYS   4   3.492   6.028   9.057
   14   2HG   LYS   4          2HG       LYS   4   3.503   3.602  10.203
   15   2HD   LYS   4          2HD       LYS   4   3.934   5.129  12.719
   16   2HE   LYS   4          2HE       LYS   4   4.821   2.392  11.686
   17   1HZ   LYS   4          1HZ       LYS   4   6.162   3.377  13.499
   18   2HZ   LYS   4          2HZ       LYS   4   4.826   3.409  14.438
   19   3HZ   LYS   4          3HZ       LYS   4   5.417   1.982  13.906
   20    H    ILE   5           H        ILE   5   7.160   6.592   8.688
   21    HA   ILE   5           HA       ILE   5   6.420   7.921   6.357
   22    HB   ILE   5           HB       ILE   5   9.066   7.687   7.789
   23   2HG1  ILE   5          2HG1      ILE   5   6.847   8.739   8.808
   24   1HG2  ILE   5          1HG2      ILE   5   9.063   8.391   5.272
   25   2HG2  ILE   5          2HG2      ILE   5   8.406   9.922   5.899
   26   3HG2  ILE   5          3HG2      ILE   5   9.988   9.334   6.466
   27   1HD1  ILE   5          1HD1      ILE   5   8.703  10.694   9.527
   28   2HD1  ILE   5          2HD1      ILE   5   8.511   9.108  10.312
   29   3HD1  ILE   5          3HD1      ILE   5   9.727   9.325   9.031
   30    H    GLY   6           H        GLY   6   9.144   5.557   6.841
   31   1HA   GLY   6          1HA       GLY   6  10.013   5.253   4.308
   32   2HA   GLY   6          2HA       GLY   6   9.901   3.935   5.457
   33    H    LEU   7           H        LEU   7   7.500   3.034   5.724
   34    HA   LEU   7           HA       LEU   7   6.801   1.786   3.414
   35   2HB   LEU   7          2HB       LEU   7   4.464   2.236   5.030
   36    HG   LEU   7           HG       LEU   7   5.033   0.107   3.826
   37   1HD1  LEU   7          1HD1      LEU   7   7.460   0.337   5.200
   38   2HD1  LEU   7          2HD1      LEU   7   6.625  -1.044   5.953
   39   3HD1  LEU   7          3HD1      LEU   7   6.907  -1.025   4.195
   40   1HD2  LEU   7          1HD2      LEU   7   4.658  -1.096   6.367
   41   2HD2  LEU   7          2HD2      LEU   7   3.843   0.487   6.402
   42   3HD2  LEU   7          3HD2      LEU   7   3.437  -0.697   5.136
   43    H    LYS   8           H        LYS   8   5.735   4.990   4.631
   44    HA   LYS   8           HA       LYS   8   3.763   5.350   2.644
   45   2HB   LYS   8          2HB       LYS   8   5.229   7.522   4.154
   46   2HG   LYS   8          2HG       LYS   8   2.731   7.271   2.552
   47   2HD   LYS   8          2HD       LYS   8   2.460   7.750   5.343
   48   2HE   LYS   8          2HE       LYS   8   1.327  10.210   4.561
   49   1HZ   LYS   8          1HZ       LYS   8   2.942   9.257   6.499
   50   2HZ   LYS   8          2HZ       LYS   8   3.861  10.418   5.810
   51   3HZ   LYS   8          3HZ       LYS   8   2.383  10.789   6.398
   52    H    VAL   9           H        VAL   9   7.273   6.055   2.880
   53    HA   VAL   9           HA       VAL   9   7.484   7.682   0.647
   54    HB   VAL   9           HB       VAL   9   9.432   5.685   1.813
   55   1HG1  VAL   9          1HG1      VAL   9  10.016   8.109   0.082
   56   2HG1  VAL   9          2HG1      VAL   9  11.190   6.936   0.724
   57   3HG1  VAL   9          3HG1      VAL   9  10.005   6.428  -0.501
   58   1HG2  VAL   9          1HG2      VAL   9   9.742   8.583   2.338
   59   2HG2  VAL   9          2HG2      VAL   9   8.333   7.812   3.102
   60   3HG2  VAL   9          3HG2      VAL   9   9.968   7.187   3.417
   61    H    LEU  10           H        LEU  10   7.990   4.088   0.903
   62    HA   LEU  10           HA       LEU  10   8.321   3.700  -1.830
   63   2HB   LEU  10          2HB       LEU  10   7.248   1.349  -0.873
   64    HG   LEU  10           HG       LEU  10   9.811   2.254  -1.614
   65   1HD1  LEU  10          1HD1      LEU  10  11.122   0.833   0.140
   66   2HD1  LEU  10          2HD1      LEU  10  10.710   2.529   0.492
   67   3HD1  LEU  10          3HD1      LEU  10   9.742   1.212   1.199
   68   1HD2  LEU  10          1HD2      LEU  10   8.620  -0.454  -1.023
   69   2HD2  LEU  10          2HD2      LEU  10   8.917   0.320  -2.598
   70   3HD2  LEU  10          3HD2      LEU  10  10.286  -0.257  -1.617
   71    H    TYR  11           H        TYR  11   5.368   3.447   0.259
   72    HA   TYR  11           HA       TYR  11   3.605   2.670  -1.716
   73   2HB   TYR  11          2HB       TYR  11   3.621   4.186   0.907
   74    HD1  TYR  11           HD1      TYR  11   1.402   3.801  -2.033
   75    HD2  TYR  11           HD2      TYR  11   1.745   5.249   1.979
   76    HE1  TYR  11           HE1      TYR  11  -0.784   5.073  -2.297
   77    HE2  TYR  11           HE2      TYR  11  -0.441   6.516   1.701
   78    HH   TYR  11           HH       TYR  11  -2.538   5.942  -0.906
   79    H    LYS  12           H        LYS  12   4.225   6.051  -0.513
   80    HA   LYS  12           HA       LYS  12   2.596   7.306  -2.354
   81   2HB   LYS  12          2HB       LYS  12   4.984   8.164  -0.735
   82   2HG   LYS  12          2HG       LYS  12   4.130  10.542  -1.468
   83   2HD   LYS  12          2HD       LYS  12   5.559   9.323  -3.783
   84   2HE   LYS  12          2HE       LYS  12   5.452  11.816  -2.465
   85   1HZ   LYS  12          1HZ       LYS  12   8.151  11.576  -2.276
   86   2HZ   LYS  12          2HZ       LYS  12   7.108  11.761  -1.032
   87   3HZ   LYS  12          3HZ       LYS  12   7.587  10.266  -1.480
   88    H    LEU  13           H        LEU  13   5.874   5.963  -2.668
   89    HA   LEU  13           HA       LEU  13   6.312   7.263  -5.193
   90   2HB   LEU  13          2HB       LEU  13   7.876   5.005  -3.950
   91    HG   LEU  13           HG       LEU  13   8.332   6.763  -6.236
   92   1HD1  LEU  13          1HD1      LEU  13  10.907   6.793  -5.364
   93   2HD1  LEU  13          2HD1      LEU  13   9.784   8.170  -5.261
   94   3HD1  LEU  13          3HD1      LEU  13  10.028   7.114  -3.850
   95   1HD2  LEU  13          1HD2      LEU  13   8.490   4.234  -6.095
   96   2HD2  LEU  13          2HD2      LEU  13   9.833   5.072  -6.907
   97   3HD2  LEU  13          3HD2      LEU  13  10.034   4.474  -5.244
   98    H    MET  14           H        MET  14   4.814   4.331  -3.971
   99    HA   MET  14           HA       MET  14   5.082   2.906  -6.402
  100   2HB   MET  14          2HB       MET  14   3.196   1.496  -5.210
  101   2HG   MET  14          2HG       MET  14   5.269   1.489  -3.180
  102   1HE   MET  14          1HE       MET  14   6.572  -1.212  -3.158
  103   2HE   MET  14          2HE       MET  14   6.686  -1.927  -4.785
  104   3HE   MET  14          3HE       MET  14   7.260  -0.265  -4.499
  105    H    ASP  15           H        ASP  15   2.437   4.768  -4.773
  106    HA   ASP  15           HA       ASP  15   0.434   4.235  -6.513
  107   2HB   ASP  15          2HB       ASP  15   1.166   6.742  -4.955
  108    H    VAL  16           H        VAL  16   1.172   4.154  -8.735
  109    HA   VAL  16           HA       VAL  16   2.028   6.750  -9.821
  110    HB   VAL  16           HB       VAL  16   2.777   3.915 -10.475
  111   1HG1  VAL  16          1HG1      VAL  16   3.812   4.664 -12.560
  112   2HG1  VAL  16          2HG1      VAL  16   2.055   4.949 -12.594
  113   3HG1  VAL  16          3HG1      VAL  16   3.170   6.305 -12.307
  114   1HG2  VAL  16          1HG2      VAL  16   4.550   6.358 -10.293
  115   2HG2  VAL  16          2HG2      VAL  16   4.079   5.418  -8.858
  116   3HG2  VAL  16          3HG2      VAL  16   5.001   4.641 -10.167
  117    H    ASP  17           H        ASP  17  -0.162   3.948 -10.021
  118    HA   ASP  17           HA       ASP  17  -1.237   4.084 -12.409
  119   2HB   ASP  17          2HB       ASP  17  -2.645   3.964  -9.712
  120    H    GLY  18           H        GLY  18  -1.545   6.508  -9.791
  121   1HA   GLY  18          1HA       GLY  18  -1.900   8.779 -10.217
  122   2HA   GLY  18          2HA       GLY  18  -2.745   8.386 -11.701
  123    H    ASP  19           H        ASP  19  -2.969   8.275  -8.108
  124    HA   ASP  19           HA       ASP  19  -5.724   8.932  -8.309
  125   2HB   ASP  19          2HB       ASP  19  -6.246   6.934  -6.654
  126    H    GLY  20           H        GLY  20  -3.167   7.470  -6.159
  127   1HA   GLY  20          1HA       GLY  20  -2.134   8.959  -4.532
  128   2HA   GLY  20          2HA       GLY  20  -3.725   9.605  -4.186
  129    H    LYS  21           H        LYS  21  -4.880   6.738  -4.559
  130    HA   LYS  21           HA       LYS  21  -4.291   5.921  -1.820
  131   2HB   LYS  21          2HB       LYS  21  -6.609   6.294  -2.201
  132   2HG   LYS  21          2HG       LYS  21  -7.479   4.417  -4.074
  133   2HD   LYS  21          2HD       LYS  21  -7.839   6.445  -5.556
  134   2HE   LYS  21          2HE       LYS  21  -8.554   6.468  -2.608
  135   1HZ   LYS  21          1HZ       LYS  21  -8.472   8.745  -3.262
  136   2HZ   LYS  21          2HZ       LYS  21  -9.314   8.458  -4.633
  137   3HZ   LYS  21          3HZ       LYS  21 -10.040   8.294  -3.179
  138    H    LEU  22           H        LEU  22  -3.722   3.740  -1.299
  139    HA   LEU  22           HA       LEU  22  -2.320   2.451  -3.505
  140   2HB   LEU  22          2HB       LEU  22  -2.125   1.553  -0.666
  141    HG   LEU  22           HG       LEU  22  -0.741   0.411  -2.344
  142   1HD1  LEU  22          1HD1      LEU  22  -0.125   1.653  -4.105
  143   2HD1  LEU  22          2HD1      LEU  22  -0.164   3.173  -3.179
  144   3HD1  LEU  22          3HD1      LEU  22   1.262   2.111  -3.088
  145   1HD2  LEU  22          1HD2      LEU  22   1.049   2.140  -0.633
  146   2HD2  LEU  22          2HD2      LEU  22   0.019   0.852   0.039
  147   3HD2  LEU  22          3HD2      LEU  22   1.289   0.451  -1.143
  148    H    THR  23           H        THR  23  -3.971   1.424  -4.666
  149    HA   THR  23           HA       THR  23  -5.752  -0.335  -3.166
  150    HB   THR  23           HB       THR  23  -7.104  -0.245  -5.122
  151    HG1  THR  23           HG1      THR  23  -6.067   0.079  -7.173
  152   1HG2  THR  23          1HG2      THR  23  -5.947   2.236  -4.275
  153   2HG2  THR  23          2HG2      THR  23  -5.932   2.253  -6.055
  154   3HG2  THR  23          3HG2      THR  23  -7.463   2.010  -5.179
  155    H    LYS  24           H        LYS  24  -6.073  -2.582  -3.820
  156    HA   LYS  24           HA       LYS  24  -3.658  -3.959  -3.865
  157   2HB   LYS  24          2HB       LYS  24  -5.621  -4.949  -2.917
  158   2HG   LYS  24          2HG       LYS  24  -6.774  -4.444  -5.668
  159   2HD   LYS  24          2HD       LYS  24  -8.539  -6.116  -4.120
  160   2HE   LYS  24          2HE       LYS  24  -7.452  -5.895  -6.838
  161   1HZ   LYS  24          1HZ       LYS  24  -7.107  -8.347  -5.591
  162   2HZ   LYS  24          2HZ       LYS  24  -8.333  -8.512  -6.657
  163   3HZ   LYS  24          3HZ       LYS  24  -6.877  -7.978  -7.165
  164    H    GLU  25           H        GLU  25  -5.893  -2.941  -6.482
  165    HA   GLU  25           HA       GLU  25  -4.750  -4.455  -8.484
  166   2HB   GLU  25          2HB       GLU  25  -5.655  -1.864  -9.467
  167   2HG   GLU  25          2HG       GLU  25  -7.142  -4.523  -9.445
  168    H    GLU  26           H        GLU  26  -4.150  -0.975  -7.597
  169    HA   GLU  26           HA       GLU  26  -2.083  -0.667  -9.424
  170   2HB   GLU  26          2HB       GLU  26  -2.687   0.834  -6.839
  171   2HG   GLU  26          2HG       GLU  26  -0.965   1.632  -9.234
  172    H    VAL  27           H        VAL  27  -2.227  -1.985  -6.128
  173    HA   VAL  27           HA       VAL  27   0.556  -1.817  -5.625
  174    HB   VAL  27           HB       VAL  27  -1.856  -3.001  -4.396
  175   1HG1  VAL  27          1HG1      VAL  27   0.862  -4.261  -4.153
  176   2HG1  VAL  27          2HG1      VAL  27  -0.212  -4.206  -2.736
  177   3HG1  VAL  27          3HG1      VAL  27  -0.744  -5.024  -4.224
  178   1HG2  VAL  27          1HG2      VAL  27  -1.351  -1.603  -2.688
  179   2HG2  VAL  27          2HG2      VAL  27   0.390  -1.961  -2.765
  180   3HG2  VAL  27          3HG2      VAL  27  -0.332  -0.806  -3.911
  181    H    THR  28           H        THR  28  -1.487  -4.783  -6.120
  182    HA   THR  28           HA       THR  28   0.537  -6.530  -6.628
  183    HB   THR  28           HB       THR  28  -2.042  -6.853  -6.391
  184    HG1  THR  28           HG1      THR  28  -0.508  -8.151  -8.532
  185   1HG2  THR  28          1HG2      THR  28  -2.836  -5.554  -8.323
  186   2HG2  THR  28          2HG2      THR  28  -1.736  -6.436  -9.410
  187   3HG2  THR  28          3HG2      THR  28  -3.112  -7.280  -8.659
  188    H    SER  29           H        SER  29  -0.755  -4.022  -8.788
  189    HA   SER  29           HA       SER  29   0.383  -5.077 -11.108
  190   2HB   SER  29          2HB       SER  29  -0.638  -2.354 -10.272
  191    HG   SER  29           HG       SER  29   0.586  -3.049 -12.805
  192    H    PHE  30           H        PHE  30   1.451  -2.525  -8.755
  193    HA   PHE  30           HA       PHE  30   3.959  -2.217 -10.106
  194   2HB   PHE  30          2HB       PHE  30   3.397  -1.318  -7.264
  195    HD1  PHE  30           HD1      PHE  30   5.811  -0.807  -7.270
  196    HD2  PHE  30           HD2      PHE  30   3.171   0.958 -10.085
  197    HE1  PHE  30           HE1      PHE  30   7.539   0.933  -7.799
  198    HE2  PHE  30           HE2      PHE  30   4.900   2.699 -10.614
  199    HZ   PHE  30           HZ       PHE  30   7.063   2.666  -9.465
  200    H    PHE  31           H        PHE  31   2.637  -4.080  -7.383
  201    HA   PHE  31           HA       PHE  31   5.221  -4.686  -6.310
  202   2HB   PHE  31          2HB       PHE  31   3.515  -6.493  -5.198
  203    HD1  PHE  31           HD1      PHE  31   4.291  -6.011  -3.070
  204    HD2  PHE  31           HD2      PHE  31   2.549  -2.894  -5.363
  205    HE1  PHE  31           HE1      PHE  31   4.441  -4.473  -1.092
  206    HE2  PHE  31           HE2      PHE  31   2.700  -1.355  -3.385
  207    HZ   PHE  31           HZ       PHE  31   3.644  -2.164  -1.273
  208    H    LYS  32           H        LYS  32   3.211  -5.878  -8.895
  209    HA   LYS  32           HA       LYS  32   3.768  -8.571  -8.873
  210   2HB   LYS  32          2HB       LYS  32   3.774  -7.686 -11.571
  211   2HG   LYS  32          2HG       LYS  32   1.191  -8.305 -10.200
  212   2HD   LYS  32          2HD       LYS  32   1.829  -8.367 -12.760
  213   2HE   LYS  32          2HE       LYS  32   2.347 -11.072 -12.997
  214   1HZ   LYS  32          1HZ       LYS  32   3.415  -8.999 -14.000
  215   2HZ   LYS  32          2HZ       LYS  32   4.543  -9.163 -12.832
  216   3HZ   LYS  32          3HZ       LYS  32   4.307 -10.364 -13.914
  217    H    LYS  33           H        LYS  33   5.911  -5.864  -9.298
  218    HA   LYS  33           HA       LYS  33   7.890  -7.452 -10.691
  219   2HB   LYS  33          2HB       LYS  33   9.219  -5.343 -10.582
  220   2HG   LYS  33          2HG       LYS  33   6.512  -5.614 -11.827
  221   2HD   LYS  33          2HD       LYS  33   7.878  -2.975 -11.325
  222   2HE   LYS  33          2HE       LYS  33   6.211  -2.505 -13.524
  223   1HZ   LYS  33          1HZ       LYS  33   8.433  -2.276 -14.647
  224   2HZ   LYS  33          2HZ       LYS  33   8.209  -1.383 -13.299
  225   3HZ   LYS  33          3HZ       LYS  33   9.113  -2.741 -13.238
  226    H    HIS  34           H        HIS  34   6.990  -6.443  -7.426
  227    HA   HIS  34           HA       HIS  34   9.565  -7.326  -6.416
  228   2HB   HIS  34          2HB       HIS  34   8.742  -6.464  -4.256
  229    HD1  HIS  34           HD1      HIS  34   7.009  -3.935  -6.385
  230    HD2  HIS  34           HD2      HIS  34  10.908  -4.759  -5.077
  231    HE1  HIS  34           HE1      HIS  34   8.382  -1.839  -6.867
  232    H    GLY  35           H        GLY  35   7.527  -7.894  -3.916
  233   1HA   GLY  35          1HA       GLY  35   7.313 -10.754  -4.603
  234   2HA   GLY  35          2HA       GLY  35   7.448 -10.078  -2.992
  235    H    ILE  36           H        ILE  36   5.336  -9.016  -5.738
  236    HA   ILE  36           HA       ILE  36   3.149  -8.297  -4.501
  237    HB   ILE  36           HB       ILE  36   3.417  -8.390  -6.916
  238   2HG1  ILE  36          2HG1      ILE  36   1.180  -8.364  -7.355
  239   1HG2  ILE  36          1HG2      ILE  36   4.359 -10.692  -7.021
  240   2HG2  ILE  36          2HG2      ILE  36   2.723 -11.332  -6.735
  241   3HG2  ILE  36          3HG2      ILE  36   3.064 -10.387  -8.204
  242   1HD1  ILE  36          1HD1      ILE  36   1.017 -10.910  -5.691
  243   2HD1  ILE  36          2HD1      ILE  36  -0.429 -10.028  -6.239
  244   3HD1  ILE  36          3HD1      ILE  36   0.698 -10.719  -7.432
  245    H    GLU  37           H        GLU  37   3.871 -11.791  -5.176
  246    HA   GLU  37           HA       GLU  37   1.745 -12.976  -4.179
  247   2HB   GLU  37          2HB       GLU  37   3.470 -14.701  -3.165
  248   2HG   GLU  37          2HG       GLU  37   3.850 -13.997  -6.098
  249    H    LYS  38           H        LYS  38   4.547 -11.942  -2.096
  250    HA   LYS  38           HA       LYS  38   3.435 -12.629   0.324
  251   2HB   LYS  38          2HB       LYS  38   5.132 -10.170   0.080
  252   2HG   LYS  38          2HG       LYS  38   4.346 -11.700   2.210
  253   2HD   LYS  38          2HD       LYS  38   7.019 -12.709   2.362
  254   2HE   LYS  38          2HE       LYS  38   5.791 -14.935   2.453
  255   1HZ   LYS  38          1HZ       LYS  38   5.910 -13.174   4.299
  256   2HZ   LYS  38          2HZ       LYS  38   4.308 -12.997   4.035
  257   3HZ   LYS  38          3HZ       LYS  38   4.907 -14.450   4.480
  258    H    VAL  39           H        VAL  39   3.514  -9.268  -1.068
  259    HA   VAL  39           HA       VAL  39   1.794  -8.135   0.720
  260    HB   VAL  39           HB       VAL  39   3.158  -7.364  -1.508
  261   1HG1  VAL  39          1HG1      VAL  39   0.319  -6.677  -2.232
  262   2HG1  VAL  39          2HG1      VAL  39   1.785  -6.660  -3.241
  263   3HG1  VAL  39          3HG1      VAL  39   1.035  -8.209  -2.788
  264   1HG2  VAL  39          1HG2      VAL  39   1.041  -5.891   0.086
  265   2HG2  VAL  39          2HG2      VAL  39   2.801  -5.909   0.351
  266   3HG2  VAL  39          3HG2      VAL  39   2.124  -5.094  -1.081
  267    H    ALA  40           H        ALA  40   1.107 -10.330  -1.984
  268    HA   ALA  40           HA       ALA  40  -1.599  -9.789  -2.300
  269   1HB   ALA  40          1HB       ALA  40  -1.436 -11.485  -3.786
  270   2HB   ALA  40          2HB       ALA  40   0.295 -11.510  -3.374
  271   3HB   ALA  40          3HB       ALA  40  -0.831 -12.619  -2.555
  272    H    GLU  41           H        GLU  41   0.105 -12.151  -0.136
  273    HA   GLU  41           HA       GLU  41  -2.315 -13.002   1.020
  274   2HB   GLU  41          2HB       GLU  41   0.425 -13.283   2.298
  275   2HG   GLU  41          2HG       GLU  41  -2.122 -14.953   2.182
  276    H    GLN  42           H        GLN  42   0.351 -10.777   2.057
  277    HA   GLN  42           HA       GLN  42  -0.653 -10.217   4.548
  278   2HB   GLN  42          2HB       GLN  42   0.571  -7.843   3.741
  279   2HG   GLN  42          2HG       GLN  42   2.442 -10.056   4.386
  280   1HE2  GLN  42          1HE2      GLN  42   4.067  -8.656   4.507
  281   2HE2  GLN  42          2HE2      GLN  42   4.154  -7.281   5.556
  282    H    VAL  43           H        VAL  43  -1.161  -8.456   1.411
  283    HA   VAL  43           HA       VAL  43  -2.863  -6.514   2.470
  284    HB   VAL  43           HB       VAL  43  -2.619  -7.673  -0.312
  285   1HG1  VAL  43          1HG1      VAL  43  -4.401  -6.448  -0.864
  286   2HG1  VAL  43          2HG1      VAL  43  -4.501  -5.759   0.775
  287   3HG1  VAL  43          3HG1      VAL  43  -3.463  -4.992  -0.452
  288   1HG2  VAL  43          1HG2      VAL  43  -0.924  -6.195  -0.728
  289   2HG2  VAL  43          2HG2      VAL  43  -1.524  -4.999   0.446
  290   3HG2  VAL  43          3HG2      VAL  43  -0.652  -6.443   1.014
  291    H    MET  44           H        MET  44  -3.436  -9.817   1.172
  292    HA   MET  44           HA       MET  44  -6.142  -9.718   0.943
  293   2HB   MET  44          2HB       MET  44  -5.473 -12.275   2.055
  294   2HG   MET  44          2HG       MET  44  -5.349 -11.334  -0.853
  295   1HE   MET  44          1HE       MET  44  -5.694 -13.943  -2.797
  296   2HE   MET  44          2HE       MET  44  -4.769 -12.473  -2.408
  297   3HE   MET  44          3HE       MET  44  -3.977 -14.065  -2.344
  298    H    LYS  45           H        LYS  45  -4.163 -10.476   3.882
  299    HA   LYS  45           HA       LYS  45  -6.529 -10.758   5.485
  300   2HB   LYS  45          2HB       LYS  45  -4.715 -10.881   7.330
  301   2HG   LYS  45          2HG       LYS  45  -4.020 -13.207   6.464
  302   2HD   LYS  45          2HD       LYS  45  -6.732 -12.177   7.042
  303   2HE   LYS  45          2HE       LYS  45  -6.660 -15.007   6.002
  304   1HZ   LYS  45          1HZ       LYS  45  -8.859 -14.749   6.118
  305   2HZ   LYS  45          2HZ       LYS  45  -8.522 -13.523   7.144
  306   3HZ   LYS  45          3HZ       LYS  45  -8.854 -13.208   5.576
  307    H    ALA  46           H        ALA  46  -4.493  -8.185   4.345
  308    HA   ALA  46           HA       ALA  46  -4.917  -6.447   6.568
  309   1HB   ALA  46          1HB       ALA  46  -4.170  -5.645   3.742
  310   2HB   ALA  46          2HB       ALA  46  -3.706  -4.873   5.277
  311   3HB   ALA  46          3HB       ALA  46  -3.008  -6.446   4.826
  312    H    ASP  47           H        ASP  47  -6.235  -6.660   3.187
  313    HA   ASP  47           HA       ASP  47  -8.360  -4.893   4.060
  314   2HB   ASP  47          2HB       ASP  47  -8.083  -5.904   1.228
  315    H    ALA  48           H        ALA  48  -8.780  -7.230   5.300
  316    HA   ALA  48           HA       ALA  48 -10.280  -9.008   3.545
  317   1HB   ALA  48          1HB       ALA  48  -9.576 -10.607   4.963
  318   2HB   ALA  48          2HB       ALA  48  -8.581  -9.366   5.762
  319   3HB   ALA  48          3HB       ALA  48 -10.216  -9.722   6.368
  320    H    ASN  49           H        ASN  49 -10.650  -6.533   6.057
  321    HA   ASN  49           HA       ASN  49 -13.260  -7.223   6.769
  322   2HB   ASN  49          2HB       ASN  49 -12.735  -4.347   6.968
  323   1HD2  ASN  49          1HD2      ASN  49 -14.285  -4.020   8.372
  324   2HD2  ASN  49          2HD2      ASN  49 -14.561  -4.885   9.847
  325    H    GLY  50           H        GLY  50 -11.873  -5.936   3.901
  326   1HA   GLY  50          1HA       GLY  50 -14.433  -5.438   2.715
  327   2HA   GLY  50          2HA       GLY  50 -13.536  -3.960   3.000
  328    H    ASP  51           H        ASP  51 -12.435  -3.285   1.219
  329    HA   ASP  51           HA       ASP  51 -10.469  -4.778   0.050
  330   2HB   ASP  51          2HB       ASP  51 -12.717  -4.547  -1.949
  331    H    GLY  52           H        GLY  52 -10.358  -2.251   0.887
  332   1HA   GLY  52          1HA       GLY  52 -11.004  -0.455  -1.357
  333   2HA   GLY  52          2HA       GLY  52 -10.691   0.013   0.302
  334    H    TYR  53           H        TYR  53  -8.993   1.478  -0.171
  335    HA   TYR  53           HA       TYR  53  -6.523   0.152  -1.049
  336   2HB   TYR  53          2HB       TYR  53  -7.164   1.515  -2.926
  337    HD1  TYR  53           HD1      TYR  53  -7.636   3.827   0.006
  338    HD2  TYR  53           HD2      TYR  53  -9.035   2.531  -3.824
  339    HE1  TYR  53           HE1      TYR  53  -9.539   5.511   0.122
  340    HE2  TYR  53           HE2      TYR  53 -10.932   4.218  -3.695
  341    HH   TYR  53           HH       TYR  53 -12.170   5.366  -1.458
  342    H    ILE  54           H        ILE  54  -4.536   1.511  -0.424
  343    HA   ILE  54           HA       ILE  54  -4.993   2.471   2.298
  344    HB   ILE  54           HB       ILE  54  -2.973   0.877   0.984
  345   2HG1  ILE  54          2HG1      ILE  54  -3.923   1.450   3.769
  346   1HG2  ILE  54          1HG2      ILE  54  -2.067   3.394   2.376
  347   2HG2  ILE  54          2HG2      ILE  54  -1.064   1.924   2.337
  348   3HG2  ILE  54          3HG2      ILE  54  -1.539   2.719   0.816
  349   1HD1  ILE  54          1HD1      ILE  54  -4.917  -0.570   3.500
  350   2HD1  ILE  54          2HD1      ILE  54  -4.444  -0.489   1.786
  351   3HD1  ILE  54          3HD1      ILE  54  -3.391  -1.311   2.963
  352    H    THR  55           H        THR  55  -5.526   4.615   2.239
  353    HA   THR  55           HA       THR  55  -4.024   6.334   0.409
  354    HB   THR  55           HB       THR  55  -5.847   7.935   0.892
  355    HG1  THR  55           HG1      THR  55  -7.480   7.067   2.479
  356   1HG2  THR  55          1HG2      THR  55  -7.645   5.621   0.853
  357   2HG2  THR  55          2HG2      THR  55  -7.341   6.817  -0.431
  358   3HG2  THR  55          3HG2      THR  55  -6.296   5.382  -0.284
  359    H    LEU  56           H        LEU  56  -2.779   8.087   1.066
  360    HA   LEU  56           HA       LEU  56  -1.137   7.809   3.149
  361   2HB   LEU  56          2HB       LEU  56  -0.899  10.322   3.087
  362    HG   LEU  56           HG       LEU  56  -0.031   8.512   1.223
  363   1HD1  LEU  56          1HD1      LEU  56  -1.699   8.750  -0.390
  364   2HD1  LEU  56          2HD1      LEU  56  -1.795  10.515  -0.174
  365   3HD1  LEU  56          3HD1      LEU  56  -0.382   9.792  -0.980
  366   1HD2  LEU  56          1HD2      LEU  56   1.432  10.341   0.411
  367   2HD2  LEU  56          2HD2      LEU  56   0.422  11.508   1.299
  368   3HD2  LEU  56          3HD2      LEU  56   1.328  10.259   2.186
  369    H    GLU  57           H        GLU  57  -4.429   9.251   3.245
  370    HA   GLU  57           HA       GLU  57  -4.232  10.116   5.885
  371   2HB   GLU  57          2HB       GLU  57  -5.943  10.982   4.366
  372   2HG   GLU  57          2HG       GLU  57  -7.219   8.212   4.513
  373    H    GLU  58           H        GLU  58  -5.615   7.107   4.401
  374    HA   GLU  58           HA       GLU  58  -6.343   6.027   6.881
  375   2HB   GLU  58          2HB       GLU  58  -5.865   4.665   4.193
  376   2HG   GLU  58          2HG       GLU  58  -6.893   3.711   6.848
  377    H    PHE  59           H        PHE  59  -3.429   5.822   4.799
  378    HA   PHE  59           HA       PHE  59  -2.201   3.700   6.126
  379   2HB   PHE  59          2HB       PHE  59  -0.598   6.028   5.051
  380    HD1  PHE  59           HD1      PHE  59   1.452   5.375   4.138
  381    HD2  PHE  59           HD2      PHE  59  -1.567   2.453   4.730
  382    HE1  PHE  59           HE1      PHE  59   3.094   3.565   3.569
  383    HE2  PHE  59           HE2      PHE  59   0.075   0.642   4.160
  384    HZ   PHE  59           HZ       PHE  59   2.386   1.220   3.587
  385    H    LEU  60           H        LEU  60  -2.378   7.206   6.818
  386    HA   LEU  60           HA       LEU  60  -0.327   7.072   8.811
  387   2HB   LEU  60          2HB       LEU  60  -2.343   9.272   8.405
  388    HG   LEU  60           HG       LEU  60   0.021   9.051  10.008
  389   1HD1  LEU  60          1HD1      LEU  60   1.432  10.774   9.221
  390   2HD1  LEU  60          2HD1      LEU  60   1.133   9.710   7.827
  391   3HD1  LEU  60          3HD1      LEU  60   0.272  11.262   7.963
  392   1HD2  LEU  60          1HD2      LEU  60  -1.159  11.720   9.678
  393   2HD2  LEU  60          2HD2      LEU  60  -2.342  10.438  10.025
  394   3HD2  LEU  60          3HD2      LEU  60  -0.976  10.710  11.132
  395    H    GLU  61           H        GLU  61  -3.925   7.592   8.859
  396    HA   GLU  61           HA       GLU  61  -4.247   7.611  11.537
  397   2HB   GLU  61          2HB       GLU  61  -6.131   6.243   9.568
  398   2HG   GLU  61          2HG       GLU  61  -6.451   7.555  12.291
  399    H    PHE  62           H        PHE  62  -3.824   4.785   9.363
  400    HA   PHE  62           HA       PHE  62  -4.566   2.732  10.950
  401   2HB   PHE  62          2HB       PHE  62  -1.894   2.362   9.708
  402    HD1  PHE  62           HD1      PHE  62  -5.546   2.065   8.958
  403    HD2  PHE  62           HD2      PHE  62  -1.749   0.169   9.031
  404    HE1  PHE  62           HE1      PHE  62  -6.608  -0.090   8.233
  405    HE2  PHE  62           HE2      PHE  62  -2.813  -1.986   8.305
  406    HZ   PHE  62           HZ       PHE  62  -5.229  -2.089   7.914
  407    H    SER  63           H        SER  63  -1.358   4.429  11.005
  408    HA   SER  63           HA       SER  63  -0.460   2.823  13.151
  409   2HB   SER  63          2HB       SER  63   0.588   5.315  11.772
  410    HG   SER  63           HG       SER  63   2.127   3.852  13.701
  411    H    LEU  64           H        LEU  64  -1.490   6.290  12.777
  412    HA   LEU  64           HA       LEU  64  -1.159   7.145  15.332
  413   2HB   LEU  64          2HB       LEU  64  -3.198   7.786  13.223
  414    HG   LEU  64           HG       LEU  64  -3.733   8.401  15.851
  415   1HD1  LEU  64          1HD1      LEU  64  -1.725  10.298  14.874
  416   2HD1  LEU  64          2HD1      LEU  64  -3.218  11.076  15.454
  417   3HD1  LEU  64          3HD1      LEU  64  -2.309   9.983  16.526
  418   1HD2  LEU  64          1HD2      LEU  64  -4.550   9.421  13.193
  419   2HD2  LEU  64          2HD2      LEU  64  -5.524   8.759  14.529
  420   3HD2  LEU  64          3HD2      LEU  64  -4.962  10.447  14.589
  Start of MODEL    4
    1   1H    SER   1          HT1       SER   1   6.862   5.880  14.784
    2    HA   SER   1           HA       SER   1   5.101   5.843  13.384
    3   2HB   SER   1          2HB       SER   1   5.374   8.859  13.475
    4    HG   SER   1           HG       SER   1   4.511   9.008  11.530
    5    H    ASP   2           H        ASP   2   8.278   7.043  13.103
    6    HA   ASP   2           HA       ASP   2   8.474   7.575  10.410
    7   2HB   ASP   2          2HB       ASP   2  10.836   7.376  10.718
    8    H    ASP   3           H        ASP   3   8.132   4.580  12.251
    9    HA   ASP   3           HA       ASP   3   9.317   2.825  10.473
   10   2HB   ASP   3          2HB       ASP   3   7.723   1.133  11.568
   11    H    LYS   4           H        LYS   4   6.328   4.661  10.406
   12    HA   LYS   4           HA       LYS   4   5.206   2.926   8.336
   13   2HB   LYS   4          2HB       LYS   4   3.122   4.130   8.719
   14   2HG   LYS   4          2HG       LYS   4   4.434   2.445  10.586
   15   2HD   LYS   4          2HD       LYS   4   2.685   4.158  12.272
   16   2HE   LYS   4          2HE       LYS   4   5.431   3.477  13.155
   17   1HZ   LYS   4          1HZ       LYS   4   2.724   3.398  14.113
   18   2HZ   LYS   4          2HZ       LYS   4   3.704   2.239  14.715
   19   3HZ   LYS   4          3HZ       LYS   4   4.096   3.814  14.896
   20    H    ILE   5           H        ILE   5   6.512   6.185   9.010
   21    HA   ILE   5           HA       ILE   5   5.743   7.470   6.708
   22    HB   ILE   5           HB       ILE   5   7.210   8.081   8.891
   23   2HG1  ILE   5          2HG1      ILE   5   7.246  10.287   8.073
   24   1HG2  ILE   5          1HG2      ILE   5   9.450   8.684   8.299
   25   2HG2  ILE   5          2HG2      ILE   5   9.214   6.965   7.900
   26   3HG2  ILE   5          3HG2      ILE   5   9.196   8.189   6.608
   27   1HD1  ILE   5          1HD1      ILE   5   7.755   8.940   5.455
   28   2HD1  ILE   5          2HD1      ILE   5   6.725  10.391   5.396
   29   3HD1  ILE   5          3HD1      ILE   5   8.368  10.493   6.075
   30    H    GLY   6           H        GLY   6   8.171   4.933   7.219
   31   1HA   GLY   6          1HA       GLY   6   9.614   5.293   4.817
   32   2HA   GLY   6          2HA       GLY   6   9.536   3.843   5.799
   33    H    LEU   7           H        LEU   7   7.328   2.592   5.647
   34    HA   LEU   7           HA       LEU   7   7.022   1.623   3.130
   35   2HB   LEU   7          2HB       LEU   7   4.508   1.417   4.418
   36    HG   LEU   7           HG       LEU   7   5.651  -0.449   3.262
   37   1HD1  LEU   7          1HD1      LEU   7   7.521  -1.574   4.108
   38   2HD1  LEU   7          2HD1      LEU   7   7.928   0.151   4.279
   39   3HD1  LEU   7          3HD1      LEU   7   7.397  -0.783   5.698
   40   1HD2  LEU   7          1HD2      LEU   7   4.876  -2.178   4.694
   41   2HD2  LEU   7          2HD2      LEU   7   5.090  -1.169   6.145
   42   3HD2  LEU   7          3HD2      LEU   7   3.820  -0.771   4.963
   43    H    LYS   8           H        LYS   8   5.511   4.503   4.604
   44    HA   LYS   8           HA       LYS   8   3.601   4.872   2.558
   45   2HB   LYS   8          2HB       LYS   8   4.773   6.720   4.651
   46   2HG   LYS   8          2HG       LYS   8   2.369   7.154   2.816
   47   2HD   LYS   8          2HD       LYS   8   2.731   8.099   5.386
   48   2HE   LYS   8          2HE       LYS   8   3.818  10.199   3.447
   49   1HZ   LYS   8          1HZ       LYS   8   2.310  10.664   5.557
   50   2HZ   LYS   8          2HZ       LYS   8   3.769  10.607   6.289
   51   3HZ   LYS   8          3HZ       LYS   8   3.503  11.670   5.078
   52    H    VAL   9           H        VAL   9   6.983   5.974   3.092
   53    HA   VAL   9           HA       VAL   9   7.086   7.799   1.000
   54    HB   VAL   9           HB       VAL   9   9.152   6.067   2.353
   55   1HG1  VAL   9          1HG1      VAL   9  10.588   6.518   0.703
   56   2HG1  VAL   9          2HG1      VAL   9   9.414   7.578  -0.113
   57   3HG1  VAL   9          3HG1      VAL   9  10.474   8.235   1.157
   58   1HG2  VAL   9          1HG2      VAL   9   9.302   8.983   2.636
   59   2HG2  VAL   9          2HG2      VAL   9   7.772   8.298   3.233
   60   3HG2  VAL   9          3HG2      VAL   9   9.323   7.707   3.876
   61    H    LEU  10           H        LEU  10   7.660   4.235   1.099
   62    HA   LEU  10           HA       LEU  10   8.393   4.112  -1.640
   63   2HB   LEU  10          2HB       LEU  10   7.406   1.619  -0.634
   64    HG   LEU  10           HG       LEU  10   9.650   2.463  -2.010
   65   1HD1  LEU  10          1HD1      LEU  10  11.384   2.768  -0.666
   66   2HD1  LEU  10          2HD1      LEU  10  10.340   2.517   0.754
   67   3HD1  LEU  10          3HD1      LEU  10  11.169   1.133   0.002
   68   1HD2  LEU  10          1HD2      LEU  10   8.300   0.174  -1.726
   69   2HD2  LEU  10          2HD2      LEU  10   9.915   0.257  -2.471
   70   3HD2  LEU  10          3HD2      LEU  10   9.743  -0.240  -0.770
   71    H    TYR  11           H        TYR  11   5.360   3.487   0.229
   72    HA   TYR  11           HA       TYR  11   3.841   2.614  -1.935
   73   2HB   TYR  11          2HB       TYR  11   3.526   3.816   0.818
   74    HD1  TYR  11           HD1      TYR  11   1.568   4.707   1.839
   75    HD2  TYR  11           HD2      TYR  11   1.468   3.495  -2.263
   76    HE1  TYR  11           HE1      TYR  11  -0.700   5.819   1.558
   77    HE2  TYR  11           HE2      TYR  11  -0.801   4.612  -2.531
   78    HH   TYR  11           HH       TYR  11  -2.108   6.286  -1.541
   79    H    LYS  12           H        LYS  12   4.022   5.919  -0.422
   80    HA   LYS  12           HA       LYS  12   2.324   7.157  -2.208
   81   2HB   LYS  12          2HB       LYS  12   3.177   8.054  -0.028
   82   2HG   LYS  12          2HG       LYS  12   5.656   7.569  -0.723
   83   2HD   LYS  12          2HD       LYS  12   4.966   9.484  -2.715
   84   2HE   LYS  12          2HE       LYS  12   6.917  11.133  -2.161
   85   1HZ   LYS  12          1HZ       LYS  12   4.315  11.361  -1.886
   86   2HZ   LYS  12          2HZ       LYS  12   4.749  11.613  -0.331
   87   3HZ   LYS  12          3HZ       LYS  12   5.348  12.570  -1.513
   88    H    LEU  13           H        LEU  13   5.852   6.477  -2.418
   89    HA   LEU  13           HA       LEU  13   6.153   7.922  -4.847
   90   2HB   LEU  13          2HB       LEU  13   7.976   5.765  -3.811
   91    HG   LEU  13           HG       LEU  13   9.728   6.857  -4.817
   92   1HD1  LEU  13          1HD1      LEU  13   8.113   5.975  -6.509
   93   2HD1  LEU  13          2HD1      LEU  13   7.488   7.631  -6.700
   94   3HD1  LEU  13          3HD1      LEU  13   9.180   7.267  -7.110
   95   1HD2  LEU  13          1HD2      LEU  13   8.216   9.417  -5.286
   96   2HD2  LEU  13          2HD2      LEU  13   8.997   9.081  -3.722
   97   3HD2  LEU  13          3HD2      LEU  13   9.972   9.136  -5.211
   98    H    MET  14           H        MET  14   5.302   4.588  -3.915
   99    HA   MET  14           HA       MET  14   5.698   3.537  -6.494
  100   2HB   MET  14          2HB       MET  14   4.001   2.602  -4.113
  101   2HG   MET  14          2HG       MET  14   5.049   0.496  -5.852
  102   1HE   MET  14          1HE       MET  14   0.592   0.830  -5.862
  103   2HE   MET  14          2HE       MET  14   1.399   2.369  -5.481
  104   3HE   MET  14          3HE       MET  14   1.819   1.489  -6.970
  105    H    ASP  15           H        ASP  15   2.881   4.893  -4.707
  106    HA   ASP  15           HA       ASP  15   0.826   4.146  -6.201
  107   2HB   ASP  15          2HB       ASP  15   1.455   6.957  -5.190
  108    H    VAL  16           H        VAL  16   1.129   3.873  -8.470
  109    HA   VAL  16           HA       VAL  16   1.616   6.359  -9.953
  110    HB   VAL  16           HB       VAL  16   2.712   3.605 -10.558
  111   1HG1  VAL  16          1HG1      VAL  16   3.311   6.156 -12.072
  112   2HG1  VAL  16          2HG1      VAL  16   3.666   4.474 -12.536
  113   3HG1  VAL  16          3HG1      VAL  16   1.986   5.062 -12.537
  114   1HG2  VAL  16          1HG2      VAL  16   3.713   5.622  -8.862
  115   2HG2  VAL  16          2HG2      VAL  16   4.569   4.181  -9.463
  116   3HG2  VAL  16          3HG2      VAL  16   4.678   5.717 -10.355
  117    H    ASP  17           H        ASP  17  -0.765   6.492  -9.937
  118    HA   ASP  17           HA       ASP  17  -1.785   4.947 -12.142
  119   2HB   ASP  17          2HB       ASP  17  -3.995   4.928 -10.500
  120    H    GLY  18           H        GLY  18  -2.703   7.238  -9.450
  121   1HA   GLY  18          1HA       GLY  18  -2.900   9.606 -10.267
  122   2HA   GLY  18          2HA       GLY  18  -4.009   8.966 -11.463
  123    H    ASP  19           H        ASP  19  -3.617   8.032  -7.983
  124    HA   ASP  19           HA       ASP  19  -6.247   9.170  -7.517
  125   2HB   ASP  19          2HB       ASP  19  -6.686   6.811  -7.853
  126    H    GLY  20           H        GLY  20  -3.293   7.543  -6.161
  127   1HA   GLY  20          1HA       GLY  20  -1.895   8.633  -4.601
  128   2HA   GLY  20          2HA       GLY  20  -3.270   9.526  -3.984
  129    H    LYS  21           H        LYS  21  -4.614   6.566  -4.469
  130    HA   LYS  21           HA       LYS  21  -4.066   5.788  -1.708
  131   2HB   LYS  21          2HB       LYS  21  -6.151   4.516  -1.872
  132   2HG   LYS  21          2HG       LYS  21  -5.942   7.225  -1.656
  133   2HD   LYS  21          2HD       LYS  21  -7.482   6.625  -4.197
  134   2HE   LYS  21          2HE       LYS  21  -8.664   8.054  -2.122
  135   1HZ   LYS  21          1HZ       LYS  21  -8.234  10.228  -2.377
  136   2HZ   LYS  21          2HZ       LYS  21  -6.762   9.697  -2.843
  137   3HZ   LYS  21          3HZ       LYS  21  -7.868  10.126  -3.964
  138    H    LEU  22           H        LEU  22  -3.720   3.492  -1.199
  139    HA   LEU  22           HA       LEU  22  -2.135   2.257  -3.314
  140   2HB   LEU  22          2HB       LEU  22  -2.224   1.261  -0.501
  141    HG   LEU  22           HG       LEU  22  -0.713   0.041  -1.871
  142   1HD1  LEU  22          1HD1      LEU  22  -0.156   2.688  -3.083
  143   2HD1  LEU  22          2HD1      LEU  22   1.226   1.574  -2.945
  144   3HD1  LEU  22          3HD1      LEU  22  -0.239   1.070  -3.822
  145   1HD2  LEU  22          1HD2      LEU  22   0.277   1.802   0.218
  146   2HD2  LEU  22          2HD2      LEU  22   0.627   0.085  -0.098
  147   3HD2  LEU  22          3HD2      LEU  22   1.556   1.351  -0.934
  148    H    THR  23           H        THR  23  -3.708   1.330  -4.658
  149    HA   THR  23           HA       THR  23  -5.640  -0.454  -3.386
  150    HB   THR  23           HB       THR  23  -6.919  -0.050  -5.287
  151    HG1  THR  23           HG1      THR  23  -5.921  -0.423  -7.257
  152   1HG2  THR  23          1HG2      THR  23  -5.638   2.250  -4.517
  153   2HG2  THR  23          2HG2      THR  23  -5.041   2.108  -6.187
  154   3HG2  THR  23          3HG2      THR  23  -6.790   2.193  -5.873
  155    H    LYS  24           H        LYS  24  -6.027  -2.619  -4.450
  156    HA   LYS  24           HA       LYS  24  -3.637  -4.085  -4.300
  157   2HB   LYS  24          2HB       LYS  24  -6.433  -4.808  -5.209
  158   2HG   LYS  24          2HG       LYS  24  -4.793  -7.021  -4.270
  159   2HD   LYS  24          2HD       LYS  24  -5.984  -6.533  -7.037
  160   2HE   LYS  24          2HE       LYS  24  -4.478  -8.654  -6.138
  161   1HZ   LYS  24          1HZ       LYS  24  -6.255  -9.159  -4.537
  162   2HZ   LYS  24          2HZ       LYS  24  -7.289  -9.417  -5.774
  163   3HZ   LYS  24          3HZ       LYS  24  -5.980 -10.375  -5.592
  164    H    GLU  25           H        GLU  25  -5.881  -3.676  -7.134
  165    HA   GLU  25           HA       GLU  25  -4.391  -4.771  -9.026
  166   2HB   GLU  25          2HB       GLU  25  -5.380  -2.296 -10.133
  167   2HG   GLU  25          2HG       GLU  25  -6.496  -5.137 -10.009
  168    H    GLU  26           H        GLU  26  -4.095  -1.300  -7.980
  169    HA   GLU  26           HA       GLU  26  -1.975  -0.739  -9.668
  170   2HB   GLU  26          2HB       GLU  26  -2.705   0.534  -6.993
  171   2HG   GLU  26          2HG       GLU  26  -1.024   1.510  -9.348
  172    H    VAL  27           H        VAL  27  -2.147  -2.192  -6.409
  173    HA   VAL  27           HA       VAL  27   0.600  -1.931  -5.824
  174    HB   VAL  27           HB       VAL  27  -1.782  -3.288  -4.736
  175   1HG1  VAL  27          1HG1      VAL  27  -0.654  -5.280  -4.591
  176   2HG1  VAL  27          2HG1      VAL  27   0.948  -4.502  -4.565
  177   3HG1  VAL  27          3HG1      VAL  27  -0.067  -4.500  -3.102
  178   1HG2  VAL  27          1HG2      VAL  27  -1.450  -1.797  -3.109
  179   2HG2  VAL  27          2HG2      VAL  27   0.202  -2.393  -2.825
  180   3HG2  VAL  27          3HG2      VAL  27  -0.092  -1.144  -4.057
  181    H    THR  28           H        THR  28  -1.248  -4.978  -6.535
  182    HA   THR  28           HA       THR  28   0.881  -6.582  -7.062
  183    HB   THR  28           HB       THR  28  -1.973  -6.433  -8.108
  184    HG1  THR  28           HG1      THR  28  -2.097  -8.078  -6.510
  185   1HG2  THR  28          1HG2      THR  28  -0.904  -9.072  -8.424
  186   2HG2  THR  28          2HG2      THR  28  -1.536  -8.007  -9.703
  187   3HG2  THR  28          3HG2      THR  28   0.196  -7.975  -9.293
  188    H    SER  29           H        SER  29  -0.428  -4.000  -9.110
  189    HA   SER  29           HA       SER  29   0.782  -4.853 -11.464
  190   2HB   SER  29          2HB       SER  29   0.677  -2.084 -11.671
  191    HG   SER  29           HG       SER  29  -1.204  -2.456 -12.808
  192    H    PHE  30           H        PHE  30   1.784  -2.378  -8.990
  193    HA   PHE  30           HA       PHE  30   4.345  -2.074 -10.229
  194   2HB   PHE  30          2HB       PHE  30   3.899  -1.196  -7.405
  195    HD1  PHE  30           HD1      PHE  30   6.050  -0.188  -7.443
  196    HD2  PHE  30           HD2      PHE  30   3.216   0.776 -10.450
  197    HE1  PHE  30           HE1      PHE  30   7.498   1.719  -8.196
  198    HE2  PHE  30           HE2      PHE  30   4.663   2.683 -11.203
  199    HZ   PHE  30           HZ       PHE  30   6.787   3.133 -10.066
  200    H    PHE  31           H        PHE  31   2.913  -3.948  -7.558
  201    HA   PHE  31           HA       PHE  31   5.466  -4.625  -6.447
  202   2HB   PHE  31          2HB       PHE  31   3.703  -6.385  -5.359
  203    HD1  PHE  31           HD1      PHE  31   2.297  -2.992  -5.340
  204    HD2  PHE  31           HD2      PHE  31   4.962  -5.689  -3.432
  205    HE1  PHE  31           HE1      PHE  31   2.443  -1.451  -3.364
  206    HE2  PHE  31           HE2      PHE  31   5.108  -4.147  -1.457
  207    HZ   PHE  31           HZ       PHE  31   3.847  -2.047  -1.446
  208    H    LYS  32           H        LYS  32   3.473  -5.740  -9.075
  209    HA   LYS  32           HA       LYS  32   3.830  -8.429  -9.111
  210   2HB   LYS  32          2HB       LYS  32   4.233  -7.565 -11.766
  211   2HG   LYS  32          2HG       LYS  32   1.499  -7.747 -11.462
  212   2HD   LYS  32          2HD       LYS  32   3.659  -9.872 -11.678
  213   2HE   LYS  32          2HE       LYS  32   0.677 -10.221 -11.364
  214   1HZ   LYS  32          1HZ       LYS  32   0.606 -11.935 -12.817
  215   2HZ   LYS  32          2HZ       LYS  32   1.631 -10.968 -13.641
  216   3HZ   LYS  32          3HZ       LYS  32   2.212 -12.230 -12.782
  217    H    LYS  33           H        LYS  33   6.263  -5.904  -9.405
  218    HA   LYS  33           HA       LYS  33   8.219  -7.796 -10.419
  219   2HB   LYS  33          2HB       LYS  33   9.434  -5.323  -9.793
  220   2HG   LYS  33          2HG       LYS  33   9.542  -7.035 -11.837
  221   2HD   LYS  33          2HD       LYS  33   7.126  -5.489 -12.376
  222   2HE   LYS  33          2HE       LYS  33   9.390  -5.324 -14.423
  223   1HZ   LYS  33          1HZ       LYS  33   7.807  -5.200 -15.924
  224   2HZ   LYS  33          2HZ       LYS  33   6.672  -5.567 -14.809
  225   3HZ   LYS  33          3HZ       LYS  33   7.039  -4.006 -15.118
  226    H    HIS  34           H        HIS  34   7.234  -6.100  -7.436
  227    HA   HIS  34           HA       HIS  34   9.582  -6.940  -6.037
  228   2HB   HIS  34          2HB       HIS  34   8.467  -5.941  -4.084
  229    HD1  HIS  34           HD1      HIS  34   8.149  -3.223  -3.842
  230    HD2  HIS  34           HD2      HIS  34   9.331  -4.681  -7.594
  231    HE1  HIS  34           HE1      HIS  34   9.103  -1.229  -5.116
  232    H    GLY  35           H        GLY  35   7.261  -7.408  -3.768
  233   1HA   GLY  35          1HA       GLY  35   7.254 -10.324  -4.224
  234   2HA   GLY  35          2HA       GLY  35   7.192  -9.520  -2.667
  235    H    ILE  36           H        ILE  36   5.345  -8.808  -5.705
  236    HA   ILE  36           HA       ILE  36   3.004  -8.110  -4.699
  237    HB   ILE  36           HB       ILE  36   3.378  -8.135  -7.035
  238   2HG1  ILE  36          2HG1      ILE  36   1.248  -8.567  -7.712
  239   1HG2  ILE  36          1HG2      ILE  36   4.820 -10.012  -7.319
  240   2HG2  ILE  36          2HG2      ILE  36   3.554 -11.146  -6.794
  241   3HG2  ILE  36          3HG2      ILE  36   3.387 -10.279  -8.340
  242   1HD1  ILE  36          1HD1      ILE  36   1.327 -10.968  -7.908
  243   2HD1  ILE  36          2HD1      ILE  36   1.472 -11.171  -6.145
  244   3HD1  ILE  36          3HD1      ILE  36  -0.058 -10.598  -6.853
  245    H    GLU  37           H        GLU  37   4.156 -11.520  -4.981
  246    HA   GLU  37           HA       GLU  37   1.863 -12.752  -4.184
  247   2HB   GLU  37          2HB       GLU  37   3.915 -14.266  -3.016
  248   2HG   GLU  37          2HG       GLU  37   3.955 -15.321  -5.419
  249    H    LYS  38           H        LYS  38   4.623 -11.620  -2.105
  250    HA   LYS  38           HA       LYS  38   3.420 -12.350   0.311
  251   2HB   LYS  38          2HB       LYS  38   5.541 -10.276  -0.319
  252   2HG   LYS  38          2HG       LYS  38   4.128 -10.806   2.134
  253   2HD   LYS  38          2HD       LYS  38   6.601 -11.146   3.290
  254   2HE   LYS  38          2HE       LYS  38   5.371 -13.752   2.698
  255   1HZ   LYS  38          1HZ       LYS  38   4.880 -13.397   5.143
  256   2HZ   LYS  38          2HZ       LYS  38   6.450 -13.489   4.701
  257   3HZ   LYS  38          3HZ       LYS  38   5.777 -12.037   5.028
  258    H    VAL  39           H        VAL  39   3.896  -8.968  -0.938
  259    HA   VAL  39           HA       VAL  39   2.257  -7.680   0.759
  260    HB   VAL  39           HB       VAL  39   1.743  -6.284  -1.454
  261   1HG1  VAL  39          1HG1      VAL  39   3.586  -6.177   0.620
  262   2HG1  VAL  39          2HG1      VAL  39   4.595  -6.064  -0.841
  263   3HG1  VAL  39          3HG1      VAL  39   3.274  -4.900  -0.580
  264   1HG2  VAL  39          1HG2      VAL  39   4.329  -7.510  -2.327
  265   2HG2  VAL  39          2HG2      VAL  39   2.817  -8.367  -2.711
  266   3HG2  VAL  39          3HG2      VAL  39   3.064  -6.700  -3.282
  267    H    ALA  40           H        ALA  40   1.308  -9.621  -2.115
  268    HA   ALA  40           HA       ALA  40  -1.362  -8.910  -2.206
  269   1HB   ALA  40          1HB       ALA  40  -1.559 -11.306  -3.189
  270   2HB   ALA  40          2HB       ALA  40  -0.481 -10.151  -4.010
  271   3HB   ALA  40          3HB       ALA  40   0.201 -11.398  -2.939
  272    H    GLU  41           H        GLU  41   0.309 -11.510  -0.314
  273    HA   GLU  41           HA       GLU  41  -2.062 -12.438   0.836
  274   2HB   GLU  41          2HB       GLU  41   0.678 -12.691   2.118
  275   2HG   GLU  41          2HG       GLU  41  -1.657 -14.630   1.762
  276    H    GLN  42           H        GLN  42   0.578 -10.270   2.074
  277    HA   GLN  42           HA       GLN  42  -0.544  -9.833   4.543
  278   2HB   GLN  42          2HB       GLN  42   0.862  -7.496   3.397
  279   2HG   GLN  42          2HG       GLN  42   2.491  -8.669   5.298
  280   1HE2  GLN  42          1HE2      GLN  42  -0.521  -7.934   6.736
  281   2HE2  GLN  42          2HE2      GLN  42  -0.267  -6.256   7.079
  282    H    VAL  43           H        VAL  43  -0.960  -8.049   1.423
  283    HA   VAL  43           HA       VAL  43  -2.581  -6.023   2.468
  284    HB   VAL  43           HB       VAL  43  -2.182  -7.210  -0.272
  285   1HG1  VAL  43          1HG1      VAL  43  -3.916  -4.830   0.476
  286   2HG1  VAL  43          2HG1      VAL  43  -3.427  -5.264  -1.180
  287   3HG1  VAL  43          3HG1      VAL  43  -4.461  -6.366  -0.240
  288   1HG2  VAL  43          1HG2      VAL  43  -0.425  -5.841  -0.342
  289   2HG2  VAL  43          2HG2      VAL  43  -1.485  -4.442  -0.044
  290   3HG2  VAL  43          3HG2      VAL  43  -0.764  -5.321   1.325
  291    H    MET  44           H        MET  44  -3.297  -9.281   1.096
  292    HA   MET  44           HA       MET  44  -6.009  -9.043   0.950
  293   2HB   MET  44          2HB       MET  44  -5.365 -11.691   1.899
  294   2HG   MET  44          2HG       MET  44  -5.410 -10.655  -0.976
  295   1HE   MET  44          1HE       MET  44  -6.973 -13.869  -2.374
  296   2HE   MET  44          2HE       MET  44  -7.886 -13.739  -0.850
  297   3HE   MET  44          3HE       MET  44  -7.554 -12.282  -1.816
  298    H    LYS  45           H        LYS  45  -3.929  -9.867   3.776
  299    HA   LYS  45           HA       LYS  45  -6.211 -10.321   5.458
  300   2HB   LYS  45          2HB       LYS  45  -4.271 -10.314   7.221
  301   2HG   LYS  45          2HG       LYS  45  -3.802 -12.513   5.275
  302   2HD   LYS  45          2HD       LYS  45  -4.304 -12.098   8.177
  303   2HE   LYS  45          2HE       LYS  45  -4.837 -14.862   7.749
  304   1HZ   LYS  45          1HZ       LYS  45  -6.574 -14.397   9.111
  305   2HZ   LYS  45          2HZ       LYS  45  -5.647 -13.089   9.421
  306   3HZ   LYS  45          3HZ       LYS  45  -6.929 -12.962   8.417
  307    H    ALA  46           H        ALA  46  -4.260  -7.615   4.390
  308    HA   ALA  46           HA       ALA  46  -4.850  -5.968   6.653
  309   1HB   ALA  46          1HB       ALA  46  -2.932  -5.945   4.741
  310   2HB   ALA  46          2HB       ALA  46  -4.074  -4.779   4.029
  311   3HB   ALA  46          3HB       ALA  46  -3.411  -4.493   5.655
  312    H    ASP  47           H        ASP  47  -5.994  -6.189   3.214
  313    HA   ASP  47           HA       ASP  47  -8.040  -4.282   3.790
  314   2HB   ASP  47          2HB       ASP  47  -7.910  -6.012   1.302
  315    H    ALA  48           H        ALA  48  -8.459  -6.306   5.576
  316    HA   ALA  48           HA       ALA  48 -10.382  -8.143   4.348
  317   1HB   ALA  48          1HB       ALA  48  -8.304  -8.675   6.005
  318   2HB   ALA  48          2HB       ALA  48  -9.584  -8.395   7.210
  319   3HB   ALA  48          3HB       ALA  48  -9.793  -9.650   5.965
  320    H    ASN  49           H        ASN  49 -11.979  -6.395   4.066
  321    HA   ASN  49           HA       ASN  49 -13.695  -6.309   6.282
  322   2HB   ASN  49          2HB       ASN  49 -12.712  -3.558   5.421
  323   1HD2  ASN  49          1HD2      ASN  49 -12.623  -2.407   7.806
  324   2HD2  ASN  49          2HD2      ASN  49 -14.151  -2.441   8.622
  325    H    GLY  50           H        GLY  50 -12.571  -4.832   3.179
  326   1HA   GLY  50          1HA       GLY  50 -15.242  -5.196   2.053
  327   2HA   GLY  50          2HA       GLY  50 -14.609  -3.563   2.093
  328    H    ASP  51           H        ASP  51 -12.675  -3.016   0.865
  329    HA   ASP  51           HA       ASP  51 -11.005  -4.541  -0.448
  330   2HB   ASP  51          2HB       ASP  51 -12.413  -4.386  -2.836
  331    H    GLY  52           H        GLY  52 -10.383  -2.200   0.239
  332   1HA   GLY  52          1HA       GLY  52 -10.932  -0.310  -1.973
  333   2HA   GLY  52          2HA       GLY  52 -10.766   0.165  -0.295
  334    H    TYR  53           H        TYR  53  -8.956   1.540  -0.635
  335    HA   TYR  53           HA       TYR  53  -6.487   0.074  -1.269
  336   2HB   TYR  53          2HB       TYR  53  -6.800   1.504  -3.158
  337    HD1  TYR  53           HD1      TYR  53  -8.479   2.600  -4.309
  338    HD2  TYR  53           HD2      TYR  53  -7.704   3.715  -0.251
  339    HE1  TYR  53           HE1      TYR  53 -10.365   4.301  -4.408
  340    HE2  TYR  53           HE2      TYR  53  -9.594   5.412  -0.365
  341    HH   TYR  53           HH       TYR  53 -11.905   5.419  -2.108
  342    H    ILE  54           H        ILE  54  -4.493   1.307  -0.432
  343    HA   ILE  54           HA       ILE  54  -5.146   2.226   2.264
  344    HB   ILE  54           HB       ILE  54  -3.109   0.554   1.096
  345   2HG1  ILE  54          2HG1      ILE  54  -4.254   1.145   3.801
  346   1HG2  ILE  54          1HG2      ILE  54  -2.181   3.005   2.588
  347   2HG2  ILE  54          2HG2      ILE  54  -1.257   1.483   2.609
  348   3HG2  ILE  54          3HG2      ILE  54  -1.568   2.315   1.067
  349   1HD1  ILE  54          1HD1      ILE  54  -5.456  -0.533   2.648
  350   2HD1  ILE  54          2HD1      ILE  54  -3.983  -1.210   1.910
  351   3HD1  ILE  54          3HD1      ILE  54  -4.314  -1.472   3.640
  352    H    THR  55           H        THR  55  -5.542   4.394   2.263
  353    HA   THR  55           HA       THR  55  -3.846   6.087   0.587
  354    HB   THR  55           HB       THR  55  -5.633   7.633   0.718
  355    HG1  THR  55           HG1      THR  55  -7.174   7.238   2.647
  356   1HG2  THR  55          1HG2      THR  55  -7.206   5.135   1.479
  357   2HG2  THR  55          2HG2      THR  55  -7.700   6.462   0.400
  358   3HG2  THR  55          3HG2      THR  55  -6.465   5.295  -0.132
  359    H    LEU  56           H        LEU  56  -2.380   7.549   1.343
  360    HA   LEU  56           HA       LEU  56  -0.997   7.115   3.582
  361   2HB   LEU  56          2HB       LEU  56  -0.281   9.479   3.458
  362    HG   LEU  56           HG       LEU  56   0.345   7.624   1.642
  363   1HD1  LEU  56          1HD1      LEU  56  -0.068   9.122  -0.596
  364   2HD1  LEU  56          2HD1      LEU  56  -1.056   7.724  -0.109
  365   3HD1  LEU  56          3HD1      LEU  56  -1.597   9.375   0.281
  366   1HD2  LEU  56          1HD2      LEU  56   2.160   8.894   1.654
  367   2HD2  LEU  56          2HD2      LEU  56   1.370  10.030   0.534
  368   3HD2  LEU  56          3HD2      LEU  56   1.222  10.265   2.293
  369    H    GLU  57           H        GLU  57  -3.910   9.248   3.325
  370    HA   GLU  57           HA       GLU  57  -3.885  10.154   5.900
  371   2HB   GLU  57          2HB       GLU  57  -5.386  11.121   4.282
  372   2HG   GLU  57          2HG       GLU  57  -6.767   8.395   4.210
  373    H    GLU  58           H        GLU  58  -5.356   7.144   4.536
  374    HA   GLU  58           HA       GLU  58  -6.381   6.370   7.055
  375   2HB   GLU  58          2HB       GLU  58  -6.893   4.216   5.870
  376   2HG   GLU  58          2HG       GLU  58  -7.897   5.750   3.733
  377    H    PHE  59           H        PHE  59  -3.502   5.540   5.049
  378    HA   PHE  59           HA       PHE  59  -2.531   3.402   6.398
  379   2HB   PHE  59          2HB       PHE  59  -0.529   5.534   5.803
  380    HD1  PHE  59           HD1      PHE  59  -0.652   2.523   6.624
  381    HD2  PHE  59           HD2      PHE  59  -0.092   4.518   2.921
  382    HE1  PHE  59           HE1      PHE  59   0.634   0.551   5.755
  383    HE2  PHE  59           HE2      PHE  59   1.196   2.545   2.053
  384    HZ   PHE  59           HZ       PHE  59   1.543   0.585   3.480
  385    H    LEU  60           H        LEU  60  -2.275   6.884   7.309
  386    HA   LEU  60           HA       LEU  60  -0.658   6.249   9.598
  387   2HB   LEU  60          2HB       LEU  60  -0.793   8.644  10.044
  388    HG   LEU  60           HG       LEU  60   0.008   7.693   7.346
  389   1HD1  LEU  60          1HD1      LEU  60   0.213   9.728   6.293
  390   2HD1  LEU  60          2HD1      LEU  60  -1.338   9.932   7.142
  391   3HD1  LEU  60          3HD1      LEU  60   0.146  10.651   7.813
  392   1HD2  LEU  60          1HD2      LEU  60   1.437   9.402   9.400
  393   2HD2  LEU  60          2HD2      LEU  60   1.496   7.624   9.329
  394   3HD2  LEU  60          3HD2      LEU  60   2.152   8.590   7.985
  395    H    GLU  61           H        GLU  61  -4.036   7.418   8.977
  396    HA   GLU  61           HA       GLU  61  -4.841   7.578  11.560
  397   2HB   GLU  61          2HB       GLU  61  -7.143   6.742  10.402
  398   2HG   GLU  61          2HG       GLU  61  -5.613   9.342  10.002
  399    H    PHE  62           H        PHE  62  -4.511   4.682   9.470
  400    HA   PHE  62           HA       PHE  62  -5.755   2.970  11.399
  401   2HB   PHE  62          2HB       PHE  62  -3.887   2.121   9.142
  402    HD1  PHE  62           HD1      PHE  62  -3.871  -0.083  10.211
  403    HD2  PHE  62           HD2      PHE  62  -7.510   1.751   9.028
  404    HE1  PHE  62           HE1      PHE  62  -5.050  -2.290  10.418
  405    HE2  PHE  62           HE2      PHE  62  -8.690  -0.455   9.234
  406    HZ   PHE  62           HZ       PHE  62  -7.445  -2.449   9.926
  407    H    SER  63           H        SER  63  -2.418   3.857  10.386
  408    HA   SER  63           HA       SER  63  -1.165   1.845  11.844
  409   2HB   SER  63          2HB       SER  63   0.729   3.817  11.746
  410    HG   SER  63           HG       SER  63  -0.190   1.862   9.914
  411    H    LEU  64           H        LEU  64  -1.752   5.364  12.561
  412    HA   LEU  64           HA       LEU  64  -0.804   5.024  15.252
  413   2HB   LEU  64          2HB       LEU  64  -2.250   7.440  14.227
  414    HG   LEU  64           HG       LEU  64  -1.092   7.144  16.601
  415   1HD1  LEU  64          1HD1      LEU  64   1.100   6.632  15.114
  416   2HD1  LEU  64          2HD1      LEU  64   1.264   8.393  15.310
  417   3HD1  LEU  64          3HD1      LEU  64   1.150   7.345  16.744
  418   1HD2  LEU  64          1HD2      LEU  64  -0.597   9.608  16.561
  419   2HD2  LEU  64          2HD2      LEU  64  -0.950   9.583  14.816
  420   3HD2  LEU  64          3HD2      LEU  64  -2.219   9.150  15.987
  Start of MODEL    5
    1   1H    SER   1          HT1       SER   1  10.933   6.281  13.000
    2    HA   SER   1           HA       SER   1  11.501   7.062  10.261
    3   2HB   SER   1          2HB       SER   1   9.737   4.914   9.982
    4    HG   SER   1           HG       SER   1  11.439   5.104   8.543
    5    H    ASP   2           H        ASP   2  10.009   8.121  12.759
    6    HA   ASP   2           HA       ASP   2   8.274   9.431  12.996
    7   2HB   ASP   2          2HB       ASP   2   6.785   8.485  10.564
    8    H    ASP   3           H        ASP   3   7.287   6.389  11.234
    9    HA   ASP   3           HA       ASP   3   6.401   4.931  13.235
   10   2HB   ASP   3          2HB       ASP   3   3.739   5.708  12.660
   11    H    LYS   4           H        LYS   4   5.803   6.342  10.040
   12    HA   LYS   4           HA       LYS   4   5.585   3.764   8.863
   13   2HB   LYS   4          2HB       LYS   4   3.164   5.303   8.169
   14   2HG   LYS   4          2HG       LYS   4   4.015   2.838   7.565
   15   2HD   LYS   4          2HD       LYS   4   2.625   2.552  10.262
   16   2HE   LYS   4          2HE       LYS   4   2.900   0.008   9.617
   17   1HZ   LYS   4          1HZ       LYS   4   0.755   0.607   9.879
   18   2HZ   LYS   4          2HZ       LYS   4   0.823   1.873   8.849
   19   3HZ   LYS   4          3HZ       LYS   4   0.715   0.352   8.266
   20    H    ILE   5           H        ILE   5   7.250   6.238   8.859
   21    HA   ILE   5           HA       ILE   5   6.663   7.669   6.491
   22    HB   ILE   5           HB       ILE   5   8.076   8.304   8.562
   23   2HG1  ILE   5          2HG1      ILE   5   9.389   9.903   7.186
   24   1HG2  ILE   5          1HG2      ILE   5  10.490   7.570   7.028
   25   2HG2  ILE   5          2HG2      ILE   5  10.198   7.593   8.783
   26   3HG2  ILE   5          3HG2      ILE   5   9.638   6.215   7.806
   27   1HD1  ILE   5          1HD1      ILE   5   8.068   8.736   4.735
   28   2HD1  ILE   5          2HD1      ILE   5   9.509   9.775   4.855
   29   3HD1  ILE   5          3HD1      ILE   5   9.617   8.051   5.286
   30    H    GLY   6           H        GLY   6   8.342   4.644   7.256
   31   1HA   GLY   6          1HA       GLY   6   9.816   4.443   4.836
   32   2HA   GLY   6          2HA       GLY   6   9.439   3.157   5.964
   33    H    LEU   7           H        LEU   7   6.899   2.583   5.973
   34    HA   LEU   7           HA       LEU   7   6.351   1.424   3.538
   35   2HB   LEU   7          2HB       LEU   7   3.914   1.907   4.932
   36    HG   LEU   7           HG       LEU   7   4.498  -0.230   3.825
   37   1HD1  LEU   7          1HD1      LEU   7   6.267  -1.505   4.338
   38   2HD1  LEU   7          2HD1      LEU   7   6.904  -0.031   5.106
   39   3HD1  LEU   7          3HD1      LEU   7   6.069  -1.256   6.090
   40   1HD2  LEU   7          1HD2      LEU   7   3.978  -0.742   6.753
   41   2HD2  LEU   7          2HD2      LEU   7   2.775   0.030   5.693
   42   3HD2  LEU   7          3HD2      LEU   7   3.351  -1.616   5.334
   43    H    LYS   8           H        LYS   8   5.381   4.621   4.862
   44    HA   LYS   8           HA       LYS   8   3.571   5.254   2.832
   45   2HB   LYS   8          2HB       LYS   8   5.266   7.097   4.543
   46   2HG   LYS   8          2HG       LYS   8   2.845   8.319   4.142
   47   2HD   LYS   8          2HD       LYS   8   4.238   9.333   2.012
   48   2HE   LYS   8          2HE       LYS   8   3.635  10.300   4.404
   49   1HZ   LYS   8          1HZ       LYS   8   5.071   9.675   5.934
   50   2HZ   LYS   8          2HZ       LYS   8   6.060   8.945   4.859
   51   3HZ   LYS   8          3HZ       LYS   8   6.231  10.538   5.175
   52    H    VAL   9           H        VAL   9   7.130   5.744   3.157
   53    HA   VAL   9           HA       VAL   9   7.497   7.281   0.893
   54    HB   VAL   9           HB       VAL   9   9.166   5.371   2.479
   55   1HG1  VAL   9          1HG1      VAL   9   9.884   6.563  -0.199
   56   2HG1  VAL   9          2HG1      VAL   9  11.130   6.218   1.024
   57   3HG1  VAL   9          3HG1      VAL   9  10.115   4.900   0.392
   58   1HG2  VAL   9          1HG2      VAL   9   9.946   7.226   3.486
   59   2HG2  VAL   9          2HG2      VAL   9  10.105   8.111   1.950
   60   3HG2  VAL   9          3HG2      VAL   9   8.528   8.028   2.769
   61    H    LEU  10           H        LEU  10   7.671   3.668   1.251
   62    HA   LEU  10           HA       LEU  10   8.086   3.193  -1.470
   63   2HB   LEU  10          2HB       LEU  10   6.728   0.995  -0.340
   64    HG   LEU  10           HG       LEU  10   9.266   1.500  -1.460
   65   1HD1  LEU  10          1HD1      LEU  10   9.920  -0.223   0.835
   66   2HD1  LEU  10          2HD1      LEU  10  10.888   1.026   0.013
   67   3HD1  LEU  10          3HD1      LEU  10   9.685   1.495   1.239
   68   1HD2  LEU  10          1HD2      LEU  10   8.682  -1.241  -0.506
   69   2HD2  LEU  10          2HD2      LEU  10   7.426  -0.476  -1.509
   70   3HD2  LEU  10          3HD2      LEU  10   9.084  -0.644  -2.134
   71    H    TYR  11           H        TYR  11   5.059   3.136   0.531
   72    HA   TYR  11           HA       TYR  11   3.311   2.470  -1.490
   73   2HB   TYR  11          2HB       TYR  11   3.329   4.056   1.103
   74    HD1  TYR  11           HD1      TYR  11   1.226   3.681  -1.908
   75    HD2  TYR  11           HD2      TYR  11   1.402   5.122   2.117
   76    HE1  TYR  11           HE1      TYR  11  -0.924   4.989  -2.274
   77    HE2  TYR  11           HE2      TYR  11  -0.749   6.423   1.737
   78    HH   TYR  11           HH       TYR  11  -2.300   6.451  -1.453
   79    H    LYS  12           H        LYS  12   4.054   5.822  -0.274
   80    HA   LYS  12           HA       LYS  12   2.586   7.155  -2.185
   81   2HB   LYS  12          2HB       LYS  12   4.993   7.902  -0.529
   82   2HG   LYS  12          2HG       LYS  12   4.242  10.307  -1.234
   83   2HD   LYS  12          2HD       LYS  12   5.531   9.041  -3.607
   84   2HE   LYS  12          2HE       LYS  12   7.339  10.707  -2.257
   85   1HZ   LYS  12          1HZ       LYS  12   6.762  10.774  -4.586
   86   2HZ   LYS  12          2HZ       LYS  12   5.309  11.442  -4.251
   87   3HZ   LYS  12          3HZ       LYS  12   6.681  12.272  -3.940
   88    H    LEU  13           H        LEU  13   5.774   5.600  -2.384
   89    HA   LEU  13           HA       LEU  13   6.390   6.861  -4.890
   90   2HB   LEU  13          2HB       LEU  13   7.696   4.681  -3.266
   91    HG   LEU  13           HG       LEU  13   8.548   5.875  -5.901
   92   1HD1  LEU  13          1HD1      LEU  13  10.542   4.401  -4.242
   93   2HD1  LEU  13          2HD1      LEU  13  10.778   5.651  -5.488
   94   3HD1  LEU  13          3HD1      LEU  13  10.227   6.110  -3.859
   95   1HD2  LEU  13          1HD2      LEU  13   8.239   3.825  -6.688
   96   2HD2  LEU  13          2HD2      LEU  13   9.311   3.140  -5.443
   97   3HD2  LEU  13          3HD2      LEU  13   7.577   3.351  -5.105
   98    H    MET  14           H        MET  14   4.736   3.971  -3.710
   99    HA   MET  14           HA       MET  14   4.959   2.557  -6.139
  100   2HB   MET  14          2HB       MET  14   2.944   1.277  -5.015
  101   2HG   MET  14          2HG       MET  14   4.940   1.145  -2.911
  102   1HE   MET  14          1HE       MET  14   6.832  -0.926  -4.621
  103   2HE   MET  14          2HE       MET  14   6.318  -1.291  -2.956
  104   3HE   MET  14          3HE       MET  14   6.056  -2.484  -4.251
  105    H    ASP  15           H        ASP  15   2.260   4.413  -4.558
  106    HA   ASP  15           HA       ASP  15   0.383   4.055  -6.464
  107   2HB   ASP  15          2HB       ASP  15   1.044   6.438  -4.695
  108    H    VAL  16           H        VAL  16   1.151   4.149  -8.652
  109    HA   VAL  16           HA       VAL  16   2.257   6.744  -9.475
  110    HB   VAL  16           HB       VAL  16   3.767   4.806  -9.695
  111   1HG1  VAL  16          1HG1      VAL  16   2.494   3.591 -12.006
  112   2HG1  VAL  16          2HG1      VAL  16   3.133   2.832 -10.528
  113   3HG1  VAL  16          3HG1      VAL  16   1.466   3.457 -10.560
  114   1HG2  VAL  16          1HG2      VAL  16   4.524   5.306 -11.905
  115   2HG2  VAL  16          2HG2      VAL  16   2.895   5.806 -12.421
  116   3HG2  VAL  16          3HG2      VAL  16   3.802   6.797 -11.253
  117    H    ASP  17           H        ASP  17  -0.248   4.270  -9.904
  118    HA   ASP  17           HA       ASP  17  -1.248   4.697 -12.295
  119   2HB   ASP  17          2HB       ASP  17  -2.705   4.564  -9.625
  120    H    GLY  18           H        GLY  18  -1.796   6.805  -9.383
  121   1HA   GLY  18          1HA       GLY  18  -1.742   9.181  -9.627
  122   2HA   GLY  18          2HA       GLY  18  -2.484   9.022 -11.207
  123    H    ASP  19           H        ASP  19  -3.259   7.569  -7.961
  124    HA   ASP  19           HA       ASP  19  -5.915   8.728  -8.298
  125   2HB   ASP  19          2HB       ASP  19  -6.295   6.649  -6.531
  126    H    GLY  20           H        GLY  20  -3.297   7.624  -6.054
  127   1HA   GLY  20          1HA       GLY  20  -2.580   9.161  -4.342
  128   2HA   GLY  20          2HA       GLY  20  -4.255   9.599  -4.073
  129    H    LYS  21           H        LYS  21  -5.193   6.731  -4.408
  130    HA   LYS  21           HA       LYS  21  -4.472   5.891  -1.707
  131   2HB   LYS  21          2HB       LYS  21  -6.511   4.601  -1.747
  132   2HG   LYS  21          2HG       LYS  21  -6.433   7.326  -1.705
  133   2HD   LYS  21          2HD       LYS  21  -8.715   6.941  -3.600
  134   2HE   LYS  21          2HE       LYS  21  -7.931   9.227  -4.329
  135   1HZ   LYS  21          1HZ       LYS  21  -8.133  10.110  -1.896
  136   2HZ   LYS  21          2HZ       LYS  21  -9.423   9.486  -2.679
  137   3HZ   LYS  21          3HZ       LYS  21  -8.608   8.577  -1.593
  138    H    LEU  22           H        LEU  22  -3.938   3.638  -1.272
  139    HA   LEU  22           HA       LEU  22  -2.443   2.516  -3.509
  140   2HB   LEU  22          2HB       LEU  22  -2.306   1.472  -0.715
  141    HG   LEU  22           HG       LEU  22  -0.851   0.370  -2.286
  142   1HD1  LEU  22          1HD1      LEU  22   1.034   2.037  -3.252
  143   2HD1  LEU  22          2HD1      LEU  22  -0.438   1.584  -4.145
  144   3HD1  LEU  22          3HD1      LEU  22  -0.372   3.128  -3.262
  145   1HD2  LEU  22          1HD2      LEU  22   0.527   0.283  -0.543
  146   2HD2  LEU  22          2HD2      LEU  22   1.413   1.641  -1.278
  147   3HD2  LEU  22          3HD2      LEU  22   0.148   1.954  -0.063
  148    H    THR  23           H        THR  23  -4.053   1.535  -4.769
  149    HA   THR  23           HA       THR  23  -5.830  -0.348  -3.426
  150    HB   THR  23           HB       THR  23  -7.189  -0.039  -5.300
  151    HG1  THR  23           HG1      THR  23  -6.210  -0.072  -7.366
  152   1HG2  THR  23          1HG2      THR  23  -5.574   2.271  -6.261
  153   2HG2  THR  23          2HG2      THR  23  -7.273   2.224  -5.732
  154   3HG2  THR  23          3HG2      THR  23  -5.968   2.335  -4.527
  155    H    LYS  24           H        LYS  24  -6.146  -2.539  -4.404
  156    HA   LYS  24           HA       LYS  24  -3.716  -3.908  -4.348
  157   2HB   LYS  24          2HB       LYS  24  -6.252  -5.009  -5.555
  158   2HG   LYS  24          2HG       LYS  24  -4.931  -6.587  -3.512
  159   2HD   LYS  24          2HD       LYS  24  -4.913  -7.095  -6.511
  160   2HE   LYS  24          2HE       LYS  24  -4.756  -8.723  -3.986
  161   1HZ   LYS  24          1HZ       LYS  24  -6.533  -9.850  -4.738
  162   2HZ   LYS  24          2HZ       LYS  24  -6.370  -9.374  -6.292
  163   3HZ   LYS  24          3HZ       LYS  24  -5.423 -10.565  -5.699
  164    H    GLU  25           H        GLU  25  -5.984  -3.369  -7.143
  165    HA   GLU  25           HA       GLU  25  -4.566  -4.463  -9.094
  166   2HB   GLU  25          2HB       GLU  25  -5.415  -2.116 -10.322
  167   2HG   GLU  25          2HG       GLU  25  -7.042  -4.568  -9.503
  168    H    GLU  26           H        GLU  26  -4.139  -1.014  -8.011
  169    HA   GLU  26           HA       GLU  26  -1.974  -0.543  -9.672
  170   2HB   GLU  26          2HB       GLU  26  -2.729   0.776  -7.027
  171   2HG   GLU  26          2HG       GLU  26  -0.939   1.705  -9.321
  172    H    VAL  27           H        VAL  27  -2.264  -2.040  -6.456
  173    HA   VAL  27           HA       VAL  27   0.481  -1.847  -5.798
  174    HB   VAL  27           HB       VAL  27  -1.976  -3.032  -4.738
  175   1HG1  VAL  27          1HG1      VAL  27  -0.464  -4.519  -3.169
  176   2HG1  VAL  27          2HG1      VAL  27  -1.054  -5.148  -4.727
  177   3HG1  VAL  27          3HG1      VAL  27   0.614  -4.542  -4.586
  178   1HG2  VAL  27          1HG2      VAL  27   0.206  -2.407  -2.882
  179   2HG2  VAL  27          2HG2      VAL  27  -0.161  -1.077  -4.006
  180   3HG2  VAL  27          3HG2      VAL  27  -1.446  -1.751  -2.974
  181    H    THR  28           H        THR  28  -1.467  -4.813  -6.591
  182    HA   THR  28           HA       THR  28   0.569  -6.529  -7.043
  183    HB   THR  28           HB       THR  28  -2.190  -6.155  -8.261
  184    HG1  THR  28           HG1      THR  28  -2.394  -8.101  -6.894
  185   1HG2  THR  28          1HG2      THR  28  -0.034  -8.115  -9.070
  186   2HG2  THR  28          2HG2      THR  28  -1.692  -8.730  -8.868
  187   3HG2  THR  28          3HG2      THR  28  -1.360  -7.437 -10.046
  188    H    SER  29           H        SER  29  -0.529  -3.917  -9.220
  189    HA   SER  29           HA       SER  29   0.900  -4.791 -11.432
  190   2HB   SER  29          2HB       SER  29   0.460  -1.855 -10.852
  191    HG   SER  29           HG       SER  29  -0.040  -1.811 -13.070
  192    H    PHE  30           H        PHE  30   1.684  -2.231  -8.960
  193    HA   PHE  30           HA       PHE  30   4.324  -1.911  -9.942
  194   2HB   PHE  30          2HB       PHE  30   3.578  -1.226  -7.103
  195    HD1  PHE  30           HD1      PHE  30   3.581   0.839 -10.192
  196    HD2  PHE  30           HD2      PHE  30   5.617  -0.189  -6.613
  197    HE1  PHE  30           HE1      PHE  30   5.203   2.714 -10.576
  198    HE2  PHE  30           HE2      PHE  30   7.240   1.687  -6.999
  199    HZ   PHE  30           HZ       PHE  30   7.013   3.116  -8.976
  200    H    PHE  31           H        PHE  31   2.755  -3.926  -7.449
  201    HA   PHE  31           HA       PHE  31   5.245  -4.648  -6.236
  202   2HB   PHE  31          2HB       PHE  31   3.422  -6.480  -5.360
  203    HD1  PHE  31           HD1      PHE  31   2.014  -3.101  -5.157
  204    HD2  PHE  31           HD2      PHE  31   4.629  -5.911  -3.347
  205    HE1  PHE  31           HE1      PHE  31   2.077  -1.701  -3.075
  206    HE2  PHE  31           HE2      PHE  31   4.691  -4.511  -1.265
  207    HZ   PHE  31           HZ       PHE  31   3.415  -2.422  -1.154
  208    H    LYS  32           H        LYS  32   3.403  -5.648  -9.019
  209    HA   LYS  32           HA       LYS  32   3.945  -8.357  -9.093
  210   2HB   LYS  32          2HB       LYS  32   4.014  -7.511 -11.741
  211   2HG   LYS  32          2HG       LYS  32   1.297  -7.676 -11.032
  212   2HD   LYS  32          2HD       LYS  32   1.822 -10.256 -11.463
  213   2HE   LYS  32          2HE       LYS  32   2.383  -8.096 -13.553
  214   1HZ   LYS  32          1HZ       LYS  32   1.222 -10.713 -14.070
  215   2HZ   LYS  32          2HZ       LYS  32   2.024  -9.720 -15.089
  216   3HZ   LYS  32          3HZ       LYS  32   2.846 -10.575 -13.966
  217    H    LYS  33           H        LYS  33   6.087  -5.623  -9.302
  218    HA   LYS  33           HA       LYS  33   8.134  -7.178 -10.654
  219   2HB   LYS  33          2HB       LYS  33   9.403  -4.926 -10.222
  220   2HG   LYS  33          2HG       LYS  33   7.063  -5.338 -12.130
  221   2HD   LYS  33          2HD       LYS  33   7.521  -2.878 -11.791
  222   2HE   LYS  33          2HE       LYS  33   9.950  -2.585 -13.204
  223   1HZ   LYS  33          1HZ       LYS  33  10.083  -2.422 -10.354
  224   2HZ   LYS  33          2HZ       LYS  33  10.348  -1.267 -11.477
  225   3HZ   LYS  33          3HZ       LYS  33   8.824  -1.609 -11.002
  226    H    HIS  34           H        HIS  34   6.945  -6.530  -7.475
  227    HA   HIS  34           HA       HIS  34   9.544  -7.229  -6.337
  228   2HB   HIS  34          2HB       HIS  34   8.608  -6.406  -4.209
  229    HD1  HIS  34           HD1      HIS  34   8.118  -3.632  -3.792
  230    HD2  HIS  34           HD2      HIS  34   9.608  -4.906  -7.501
  231    HE1  HIS  34           HE1      HIS  34   9.162  -1.578  -4.887
  232    H    GLY  35           H        GLY  35   7.371  -7.851  -3.954
  233   1HA   GLY  35          1HA       GLY  35   7.179 -10.698  -4.721
  234   2HA   GLY  35          2HA       GLY  35   7.352 -10.089  -3.088
  235    H    ILE  36           H        ILE  36   5.202  -8.970  -5.789
  236    HA   ILE  36           HA       ILE  36   3.044  -8.264  -4.434
  237    HB   ILE  36           HB       ILE  36   3.234  -8.123  -6.831
  238   2HG1  ILE  36          2HG1      ILE  36   0.956  -8.447  -7.399
  239   1HG2  ILE  36          1HG2      ILE  36   3.483 -11.041  -6.637
  240   2HG2  ILE  36          2HG2      ILE  36   2.381 -10.492  -7.922
  241   3HG2  ILE  36          3HG2      ILE  36   4.064  -9.913  -7.885
  242   1HD1  ILE  36          1HD1      ILE  36   1.227 -10.948  -6.161
  243   2HD1  ILE  36          2HD1      ILE  36   0.122 -10.058  -5.087
  244   3HD1  ILE  36          3HD1      ILE  36  -0.281 -10.258  -6.809
  245    H    GLU  37           H        GLU  37   4.165 -11.618  -4.916
  246    HA   GLU  37           HA       GLU  37   1.947 -12.992  -4.233
  247   2HB   GLU  37          2HB       GLU  37   3.877 -14.482  -2.983
  248   2HG   GLU  37          2HG       GLU  37   3.799 -14.154  -6.011
  249    H    LYS  38           H        LYS  38   4.584 -12.266  -1.829
  250    HA   LYS  38           HA       LYS  38   3.075 -12.862   0.398
  251   2HB   LYS  38          2HB       LYS  38   5.426 -12.737   0.603
  252   2HG   LYS  38          2HG       LYS  38   5.078  -9.954  -0.556
  253   2HD   LYS  38          2HD       LYS  38   7.786 -10.713   0.413
  254   2HE   LYS  38          2HE       LYS  38   6.052  -8.232   0.234
  255   1HZ   LYS  38          1HZ       LYS  38   8.687  -8.123   1.443
  256   2HZ   LYS  38          2HZ       LYS  38   7.431  -7.092   1.600
  257   3HZ   LYS  38          3HZ       LYS  38   7.421  -8.518   2.396
  258    H    VAL  39           H        VAL  39   3.369  -9.816  -1.480
  259    HA   VAL  39           HA       VAL  39   2.010  -8.189   0.337
  260    HB   VAL  39           HB       VAL  39   2.014  -7.940  -2.670
  261   1HG1  VAL  39          1HG1      VAL  39   0.609  -6.307  -1.593
  262   2HG1  VAL  39          2HG1      VAL  39   1.879  -5.923  -0.407
  263   3HG1  VAL  39          3HG1      VAL  39   2.103  -5.496  -2.119
  264   1HG2  VAL  39          1HG2      VAL  39   4.150  -6.452  -1.480
  265   2HG2  VAL  39          2HG2      VAL  39   4.284  -8.148  -0.956
  266   3HG2  VAL  39          3HG2      VAL  39   4.234  -7.753  -2.691
  267    H    ALA  40           H        ALA  40   0.902 -10.416  -2.252
  268    HA   ALA  40           HA       ALA  40  -1.762  -9.602  -2.295
  269   1HB   ALA  40          1HB       ALA  40  -0.121 -11.528  -3.527
  270   2HB   ALA  40          2HB       ALA  40  -1.402 -12.462  -2.719
  271   3HB   ALA  40          3HB       ALA  40  -1.830 -11.190  -3.887
  272    H    GLU  41           H        GLU  41  -0.046 -12.116  -0.331
  273    HA   GLU  41           HA       GLU  41  -2.360 -12.942   0.985
  274   2HB   GLU  41          2HB       GLU  41   0.454 -13.110   2.123
  275   2HG   GLU  41          2HG       GLU  41  -1.696 -15.251   2.081
  276    H    GLN  42           H        GLN  42   0.256 -10.590   1.846
  277    HA   GLN  42           HA       GLN  42  -0.751 -10.011   4.364
  278   2HB   GLN  42          2HB       GLN  42   0.773  -8.022   2.650
  279   2HG   GLN  42          2HG       GLN  42   1.294  -8.786   5.536
  280   1HE2  GLN  42          1HE2      GLN  42   2.114  -6.923   6.699
  281   2HE2  GLN  42          2HE2      GLN  42   3.074  -5.739   5.877
  282    H    VAL  43           H        VAL  43  -1.228  -8.424   1.144
  283    HA   VAL  43           HA       VAL  43  -2.870  -6.367   2.130
  284    HB   VAL  43           HB       VAL  43  -2.422  -7.601  -0.582
  285   1HG1  VAL  43          1HG1      VAL  43  -4.018  -5.079  -0.050
  286   2HG1  VAL  43          2HG1      VAL  43  -3.745  -5.892  -1.609
  287   3HG1  VAL  43          3HG1      VAL  43  -4.756  -6.667  -0.365
  288   1HG2  VAL  43          1HG2      VAL  43  -0.549  -6.337   0.364
  289   2HG2  VAL  43          2HG2      VAL  43  -1.250  -5.484  -1.031
  290   3HG2  VAL  43          3HG2      VAL  43  -1.612  -4.933   0.622
  291    H    MET  44           H        MET  44  -3.441  -9.739   1.114
  292    HA   MET  44           HA       MET  44  -6.173  -9.558   0.780
  293   2HB   MET  44          2HB       MET  44  -5.678 -12.126   1.824
  294   2HG   MET  44          2HG       MET  44  -4.816 -11.615  -1.005
  295   1HE   MET  44          1HE       MET  44  -5.006 -15.199  -1.530
  296   2HE   MET  44          2HE       MET  44  -5.331 -13.813  -2.598
  297   3HE   MET  44          3HE       MET  44  -4.037 -13.714  -1.381
  298    H    LYS  45           H        LYS  45  -4.187 -10.286   3.716
  299    HA   LYS  45           HA       LYS  45  -6.543 -10.552   5.336
  300   2HB   LYS  45          2HB       LYS  45  -4.764 -10.685   7.177
  301   2HG   LYS  45          2HG       LYS  45  -3.957 -12.799   5.308
  302   2HD   LYS  45          2HD       LYS  45  -5.112 -12.463   8.011
  303   2HE   LYS  45          2HE       LYS  45  -5.760 -15.042   6.528
  304   1HZ   LYS  45          1HZ       LYS  45  -6.023 -15.549   8.661
  305   2HZ   LYS  45          2HZ       LYS  45  -6.075 -13.998   9.171
  306   3HZ   LYS  45          3HZ       LYS  45  -7.420 -14.708   8.574
  307    H    ALA  46           H        ALA  46  -4.503  -7.992   4.159
  308    HA   ALA  46           HA       ALA  46  -4.998  -6.223   6.358
  309   1HB   ALA  46          1HB       ALA  46  -3.759  -4.638   5.048
  310   2HB   ALA  46          2HB       ALA  46  -2.972  -6.218   4.820
  311   3HB   ALA  46          3HB       ALA  46  -4.035  -5.562   3.552
  312    H    ASP  47           H        ASP  47  -6.147  -6.521   2.924
  313    HA   ASP  47           HA       ASP  47  -8.303  -4.719   3.656
  314   2HB   ASP  47          2HB       ASP  47  -7.557  -5.737   0.879
  315    H    ALA  48           H        ALA  48  -8.945  -6.943   4.879
  316    HA   ALA  48           HA       ALA  48 -10.335  -8.707   2.996
  317   1HB   ALA  48          1HB       ALA  48  -9.104  -9.009   5.717
  318   2HB   ALA  48          2HB       ALA  48 -10.506 -10.029   5.311
  319   3HB   ALA  48          3HB       ALA  48  -9.037 -10.096   4.309
  320    H    ASN  49           H        ASN  49 -10.709  -6.646   5.926
  321    HA   ASN  49           HA       ASN  49 -13.274  -7.234   6.548
  322   2HB   ASN  49          2HB       ASN  49 -13.020  -4.390   6.797
  323   1HD2  ASN  49          1HD2      ASN  49 -12.386  -3.839   9.104
  324   2HD2  ASN  49          2HD2      ASN  49 -12.889  -4.935  10.347
  325    H    GLY  50           H        GLY  50 -11.961  -5.651   3.711
  326   1HA   GLY  50          1HA       GLY  50 -14.625  -5.319   2.599
  327   2HA   GLY  50          2HA       GLY  50 -13.702  -3.844   2.802
  328    H    ASP  51           H        ASP  51 -12.574  -3.217   1.021
  329    HA   ASP  51           HA       ASP  51 -10.741  -4.778  -0.242
  330   2HB   ASP  51          2HB       ASP  51 -12.443  -6.183  -1.187
  331    H    GLY  52           H        GLY  52 -10.412  -2.287   0.519
  332   1HA   GLY  52          1HA       GLY  52 -11.045  -0.518  -1.764
  333   2HA   GLY  52          2HA       GLY  52 -10.847   0.005  -0.103
  334    H    TYR  53           H        TYR  53  -9.134   1.474  -0.575
  335    HA   TYR  53           HA       TYR  53  -6.618   0.128  -1.296
  336   2HB   TYR  53          2HB       TYR  53  -7.077   1.573  -3.142
  337    HD1  TYR  53           HD1      TYR  53  -8.832   2.626  -4.220
  338    HD2  TYR  53           HD2      TYR  53  -8.013   3.648  -0.147
  339    HE1  TYR  53           HE1      TYR  53 -10.813   4.219  -4.214
  340    HE2  TYR  53           HE2      TYR  53  -9.996   5.238  -0.154
  341    HH   TYR  53           HH       TYR  53 -11.275   6.509  -1.772
  342    H    ILE  54           H        ILE  54  -4.650   1.457  -0.532
  343    HA   ILE  54           HA       ILE  54  -5.218   2.286   2.210
  344    HB   ILE  54           HB       ILE  54  -3.158   0.748   0.912
  345   2HG1  ILE  54          2HG1      ILE  54  -4.175   1.246   3.687
  346   1HG2  ILE  54          1HG2      ILE  54  -2.276   3.217   2.405
  347   2HG2  ILE  54          2HG2      ILE  54  -1.273   1.750   2.319
  348   3HG2  ILE  54          3HG2      ILE  54  -1.728   2.606   0.826
  349   1HD1  ILE  54          1HD1      ILE  54  -4.797  -1.021   3.573
  350   2HD1  ILE  54          2HD1      ILE  54  -5.030  -0.488   1.890
  351   3HD1  ILE  54          3HD1      ILE  54  -3.568  -1.396   2.343
  352    H    THR  55           H        THR  55  -5.728   4.428   2.286
  353    HA   THR  55           HA       THR  55  -4.225   6.248   0.561
  354    HB   THR  55           HB       THR  55  -6.081   7.689   0.835
  355    HG1  THR  55           HG1      THR  55  -6.592   6.081   3.239
  356   1HG2  THR  55          1HG2      THR  55  -6.790   5.222   0.068
  357   2HG2  THR  55          2HG2      THR  55  -7.574   5.188   1.665
  358   3HG2  THR  55          3HG2      THR  55  -8.038   6.425   0.473
  359    H    LEU  56           H        LEU  56  -2.783   7.754   1.263
  360    HA   LEU  56           HA       LEU  56  -1.276   7.340   3.437
  361   2HB   LEU  56          2HB       LEU  56  -1.622  10.188   2.964
  362    HG   LEU  56           HG       LEU  56   0.601   8.209   2.443
  363   1HD1  LEU  56          1HD1      LEU  56   1.507  10.903   2.129
  364   2HD1  LEU  56          2HD1      LEU  56   1.574   9.551   0.974
  365   3HD1  LEU  56          3HD1      LEU  56   0.150  10.617   1.013
  366   1HD2  LEU  56          1HD2      LEU  56   1.683  10.036   4.053
  367   2HD2  LEU  56          2HD2      LEU  56  -0.020  10.246   4.527
  368   3HD2  LEU  56          3HD2      LEU  56   0.752   8.648   4.668
  369    H    GLU  57           H        GLU  57  -4.297   9.316   3.305
  370    HA   GLU  57           HA       GLU  57  -4.177  10.261   5.873
  371   2HB   GLU  57          2HB       GLU  57  -5.786  11.153   4.309
  372   2HG   GLU  57          2HG       GLU  57  -7.038   8.365   4.337
  373    H    GLU  58           H        GLU  58  -5.542   7.173   4.587
  374    HA   GLU  58           HA       GLU  58  -6.406   6.382   7.176
  375   2HB   GLU  58          2HB       GLU  58  -6.130   4.718   4.634
  376   2HG   GLU  58          2HG       GLU  58  -6.843   3.997   7.295
  377    H    PHE  59           H        PHE  59  -3.642   5.687   4.978
  378    HA   PHE  59           HA       PHE  59  -2.549   3.566   6.367
  379   2HB   PHE  59          2HB       PHE  59  -0.761   5.713   5.217
  380    HD1  PHE  59           HD1      PHE  59   1.200   4.850   4.288
  381    HD2  PHE  59           HD2      PHE  59  -2.085   2.248   4.953
  382    HE1  PHE  59           HE1      PHE  59   2.645   2.879   3.714
  383    HE2  PHE  59           HE2      PHE  59  -0.641   0.277   4.378
  384    HZ   PHE  59           HZ       PHE  59   1.707   0.617   3.766
  385    H    LEU  60           H        LEU  60  -2.364   7.098   6.954
  386    HA   LEU  60           HA       LEU  60  -0.340   6.773   8.968
  387   2HB   LEU  60          2HB       LEU  60  -2.014   9.196   8.308
  388    HG   LEU  60           HG       LEU  60   0.116   8.793  10.191
  389   1HD1  LEU  60          1HD1      LEU  60   1.920   9.887   9.415
  390   2HD1  LEU  60          2HD1      LEU  60   1.271   9.438   7.820
  391   3HD1  LEU  60          3HD1      LEU  60   0.950  11.056   8.488
  392   1HD2  LEU  60          1HD2      LEU  60  -0.379  11.484  10.155
  393   2HD2  LEU  60          2HD2      LEU  60  -1.871  10.827   9.441
  394   3HD2  LEU  60          3HD2      LEU  60  -1.334  10.272  11.045
  395    H    GLU  61           H        GLU  61  -3.863   7.633   8.861
  396    HA   GLU  61           HA       GLU  61  -4.267   7.961  11.506
  397   2HB   GLU  61          2HB       GLU  61  -6.586   6.664  10.739
  398   2HG   GLU  61          2HG       GLU  61  -5.561   9.489  10.327
  399    H    PHE  62           H        PHE  62  -3.942   4.897   9.670
  400    HA   PHE  62           HA       PHE  62  -4.674   3.284  11.910
  401   2HB   PHE  62          2HB       PHE  62  -2.992   2.255   9.626
  402    HD1  PHE  62           HD1      PHE  62  -6.081   1.454   8.615
  403    HD2  PHE  62           HD2      PHE  62  -3.565   0.732  11.954
  404    HE1  PHE  62           HE1      PHE  62  -7.327  -0.672   9.093
  405    HE2  PHE  62           HE2      PHE  62  -4.811  -1.394  12.433
  406    HZ   PHE  62           HZ       PHE  62  -6.676  -2.070  10.997
  407    H    SER  63           H        SER  63  -1.706   4.718  10.605
  408    HA   SER  63           HA       SER  63   0.029   2.935  11.917
  409   2HB   SER  63          2HB       SER  63   0.232   5.415  10.312
  410    HG   SER  63           HG       SER  63   1.432   6.238  12.039
  411    H    LEU  64           H        LEU  64  -1.851   5.743  12.864
  412    HA   LEU  64           HA       LEU  64  -0.202   6.428  15.100
  413   2HB   LEU  64          2HB       LEU  64  -2.994   7.246  14.289
  414    HG   LEU  64           HG       LEU  64  -2.185   7.605  16.800
  415   1HD1  LEU  64          1HD1      LEU  64  -0.699   9.705  15.228
  416   2HD1  LEU  64          2HD1      LEU  64  -1.199   9.969  16.915
  417   3HD1  LEU  64          3HD1      LEU  64  -0.101   8.627  16.512
  418   1HD2  LEU  64          1HD2      LEU  64  -3.567   9.631  16.885
  419   2HD2  LEU  64          2HD2      LEU  64  -3.494   9.755  15.111
  420   3HD2  LEU  64          3HD2      LEU  64  -4.307   8.367  15.874
  Start of MODEL    6
    1   1H    SER   1          HT1       SER   1   3.780  10.134  12.269
    2    HA   SER   1           HA       SER   1   4.936   8.122  13.293
    3   2HB   SER   1          2HB       SER   1   2.717   8.107  12.061
    4    HG   SER   1           HG       SER   1   4.304   8.308   9.899
    5    H    ASP   2           H        ASP   2   7.291   8.384  13.098
    6    HA   ASP   2           HA       ASP   2   8.630   8.281  10.705
    7   2HB   ASP   2          2HB       ASP   2  10.587   7.980  12.005
    8    H    ASP   3           H        ASP   3   7.445   5.718  12.949
    9    HA   ASP   3           HA       ASP   3   8.748   3.625  11.594
   10   2HB   ASP   3          2HB       ASP   3   6.945   2.245  12.915
   11    H    LYS   4           H        LYS   4   7.605   5.000   9.530
   12    HA   LYS   4           HA       LYS   4   6.019   3.164   8.233
   13   2HB   LYS   4          2HB       LYS   4   4.164   5.403   8.812
   14   2HG   LYS   4          2HG       LYS   4   4.049   2.917   7.546
   15   2HD   LYS   4          2HD       LYS   4   2.128   2.475   9.747
   16   2HE   LYS   4          2HE       LYS   4   4.011   0.886   8.007
   17   1HZ   LYS   4          1HZ       LYS   4   2.700  -0.247  10.372
   18   2HZ   LYS   4          2HZ       LYS   4   3.734  -0.992   9.350
   19   3HZ   LYS   4          3HZ       LYS   4   4.279   0.171  10.359
   20    H    ILE   5           H        ILE   5   6.960   6.564   8.784
   21    HA   ILE   5           HA       ILE   5   6.385   7.777   6.474
   22    HB   ILE   5           HB       ILE   5   7.639   8.676   8.433
   23   2HG1  ILE   5          2HG1      ILE   5   8.654  10.422   7.207
   24   1HG2  ILE   5          1HG2      ILE   5   9.618   7.866   9.014
   25   2HG2  ILE   5          2HG2      ILE   5   9.556   6.730   7.644
   26   3HG2  ILE   5          3HG2      ILE   5  10.295   8.337   7.436
   27   1HD1  ILE   5          1HD1      ILE   5  10.061  10.018   5.485
   28   2HD1  ILE   5          2HD1      ILE   5   9.640   8.290   5.553
   29   3HD1  ILE   5          3HD1      ILE   5   8.704   9.395   4.517
   30    H    GLY   6           H        GLY   6   8.649   5.082   6.936
   31   1HA   GLY   6          1HA       GLY   6   9.965   5.329   4.426
   32   2HA   GLY   6          2HA       GLY   6   9.943   3.936   5.488
   33    H    LEU   7           H        LEU   7   7.681   2.746   5.585
   34    HA   LEU   7           HA       LEU   7   7.179   1.633   3.156
   35   2HB   LEU   7          2HB       LEU   7   4.765   1.544   4.621
   36    HG   LEU   7           HG       LEU   7   5.797  -0.414   3.534
   37   1HD1  LEU   7          1HD1      LEU   7   7.609  -1.585   5.015
   38   2HD1  LEU   7          2HD1      LEU   7   8.077  -0.328   3.845
   39   3HD1  LEU   7          3HD1      LEU   7   7.941   0.072   5.575
   40   1HD2  LEU   7          1HD2      LEU   7   4.906  -1.938   4.990
   41   2HD2  LEU   7          2HD2      LEU   7   5.629  -1.168   6.422
   42   3HD2  LEU   7          3HD2      LEU   7   4.207  -0.437   5.640
   43    H    LYS   8           H        LYS   8   5.849   4.631   4.562
   44    HA   LYS   8           HA       LYS   8   3.804   4.922   2.627
   45   2HB   LYS   8          2HB       LYS   8   4.913   7.323   3.978
   46   2HG   LYS   8          2HG       LYS   8   2.334   6.200   3.068
   47   2HD   LYS   8          2HD       LYS   8   2.157   6.059   5.631
   48   2HE   LYS   8          2HE       LYS   8   1.628   8.450   6.583
   49   1HZ   LYS   8          1HZ       LYS   8   4.461   8.106   6.078
   50   2HZ   LYS   8          2HZ       LYS   8   3.690   8.441   7.477
   51   3HZ   LYS   8          3HZ       LYS   8   3.685   6.918   6.888
   52    H    VAL   9           H        VAL   9   7.196   6.108   2.943
   53    HA   VAL   9           HA       VAL   9   7.224   7.815   0.788
   54    HB   VAL   9           HB       VAL   9   9.289   6.065   2.098
   55   1HG1  VAL   9          1HG1      VAL   9   9.817   8.064  -0.127
   56   2HG1  VAL   9          2HG1      VAL   9  11.041   7.169   0.806
   57   3HG1  VAL   9          3HG1      VAL   9   9.932   6.294  -0.277
   58   1HG2  VAL   9          1HG2      VAL   9   9.732   7.853   3.396
   59   2HG2  VAL   9          2HG2      VAL   9   9.598   8.998   2.039
   60   3HG2  VAL   9          3HG2      VAL   9   8.131   8.426   2.871
   61    H    LEU  10           H        LEU  10   7.954   4.259   0.872
   62    HA   LEU  10           HA       LEU  10   8.433   4.027  -1.859
   63   2HB   LEU  10          2HB       LEU  10   7.278   1.632  -0.811
   64    HG   LEU  10           HG       LEU  10   9.898   2.529  -1.798
   65   1HD1  LEU  10          1HD1      LEU  10  11.166   1.784  -0.129
   66   2HD1  LEU  10          2HD1      LEU  10   9.778   1.038   0.699
   67   3HD1  LEU  10          3HD1      LEU  10  10.637   0.145  -0.579
   68   1HD2  LEU  10          1HD2      LEU  10   9.302   1.064  -3.351
   69   2HD2  LEU  10          2HD2      LEU  10   9.472  -0.249  -2.162
   70   3HD2  LEU  10          3HD2      LEU  10   7.900   0.559  -2.376
   71    H    TYR  11           H        TYR  11   5.454   2.921  -0.089
   72    HA   TYR  11           HA       TYR  11   3.869   2.444  -2.216
   73   2HB   TYR  11          2HB       TYR  11   3.660   3.339   0.624
   74    HD1  TYR  11           HD1      TYR  11   1.352   3.506  -2.322
   75    HD2  TYR  11           HD2      TYR  11   2.036   4.578   1.762
   76    HE1  TYR  11           HE1      TYR  11  -0.743   4.946  -2.342
   77    HE2  TYR  11           HE2      TYR  11  -0.061   6.016   1.730
   78    HH   TYR  11           HH       TYR  11  -2.322   5.843  -0.838
   79    H    LYS  12           H        LYS  12   4.355   5.663  -0.616
   80    HA   LYS  12           HA       LYS  12   2.559   7.063  -2.198
   81   2HB   LYS  12          2HB       LYS  12   5.036   7.880  -0.673
   82   2HG   LYS  12          2HG       LYS  12   3.794  10.213  -0.917
   83   2HD   LYS  12          2HD       LYS  12   5.185   9.514  -3.470
   84   2HE   LYS  12          2HE       LYS  12   4.722  11.852  -2.182
   85   1HZ   LYS  12          1HZ       LYS  12   7.345  10.934  -1.225
   86   2HZ   LYS  12          2HZ       LYS  12   6.768  12.456  -1.080
   87   3HZ   LYS  12          3HZ       LYS  12   6.039  11.228  -0.289
   88    H    LEU  13           H        LEU  13   5.936   6.034  -2.771
   89    HA   LEU  13           HA       LEU  13   6.122   7.595  -5.176
   90   2HB   LEU  13          2HB       LEU  13   8.026   5.397  -4.582
   91    HG   LEU  13           HG       LEU  13   8.163   7.579  -6.231
   92   1HD1  LEU  13          1HD1      LEU  13   8.296   8.906  -3.970
   93   2HD1  LEU  13          2HD1      LEU  13   9.996   8.381  -4.001
   94   3HD1  LEU  13          3HD1      LEU  13   9.337   9.344  -5.345
   95   1HD2  LEU  13          1HD2      LEU  13  10.753   7.133  -5.970
   96   2HD2  LEU  13          2HD2      LEU  13  10.185   5.763  -4.986
   97   3HD2  LEU  13          3HD2      LEU  13   9.668   5.915  -6.683
   98    H    MET  14           H        MET  14   4.952   4.441  -4.187
   99    HA   MET  14           HA       MET  14   5.251   3.271  -6.751
  100   2HB   MET  14          2HB       MET  14   3.638   1.540  -5.668
  101   2HG   MET  14          2HG       MET  14   5.915   2.132  -3.763
  102   1HE   MET  14          1HE       MET  14   7.630   0.147  -4.432
  103   2HE   MET  14          2HE       MET  14   7.173  -1.180  -3.337
  104   3HE   MET  14          3HE       MET  14   7.083  -1.410  -5.100
  105    H    ASP  15           H        ASP  15   2.632   4.938  -4.933
  106    HA   ASP  15           HA       ASP  15   0.447   4.362  -6.267
  107   2HB   ASP  15          2HB       ASP  15   1.544   7.024  -5.332
  108    H    VAL  16           H        VAL  16   0.547   3.853  -8.508
  109    HA   VAL  16           HA       VAL  16   1.280   6.096 -10.255
  110    HB   VAL  16           HB       VAL  16   3.095   4.565 -10.353
  111   1HG1  VAL  16          1HG1      VAL  16   2.775   2.447  -9.716
  112   2HG1  VAL  16          2HG1      VAL  16   1.020   2.560  -9.992
  113   3HG1  VAL  16          3HG1      VAL  16   2.106   2.137 -11.337
  114   1HG2  VAL  16          1HG2      VAL  16   1.400   3.872 -12.764
  115   2HG2  VAL  16          2HG2      VAL  16   2.107   5.486 -12.515
  116   3HG2  VAL  16          3HG2      VAL  16   3.166   4.064 -12.669
  117    H    ASP  17           H        ASP  17  -0.854   6.773 -10.585
  118    HA   ASP  17           HA       ASP  17  -2.262   5.330 -12.500
  119   2HB   ASP  17          2HB       ASP  17  -4.385   5.275 -10.803
  120    H    GLY  18           H        GLY  18  -3.001   7.375  -9.561
  121   1HA   GLY  18          1HA       GLY  18  -3.016   9.838 -10.148
  122   2HA   GLY  18          2HA       GLY  18  -4.206   9.390 -11.352
  123    H    ASP  19           H        ASP  19  -3.524   8.931  -7.810
  124    HA   ASP  19           HA       ASP  19  -6.102   9.928  -7.199
  125   2HB   ASP  19          2HB       ASP  19  -7.192   8.008  -6.499
  126    H    GLY  20           H        GLY  20  -3.318   7.857  -6.103
  127   1HA   GLY  20          1HA       GLY  20  -1.726   8.690  -4.554
  128   2HA   GLY  20          2HA       GLY  20  -2.974   9.655  -3.792
  129    H    LYS  21           H        LYS  21  -4.525   6.799  -4.524
  130    HA   LYS  21           HA       LYS  21  -4.051   5.807  -1.819
  131   2HB   LYS  21          2HB       LYS  21  -6.354   6.351  -2.383
  132   2HG   LYS  21          2HG       LYS  21  -6.764   4.106  -4.246
  133   2HD   LYS  21          2HD       LYS  21  -7.363   7.060  -4.661
  134   2HE   LYS  21          2HE       LYS  21  -8.619   4.434  -5.565
  135   1HZ   LYS  21          1HZ       LYS  21 -10.085   6.474  -4.827
  136   2HZ   LYS  21          2HZ       LYS  21  -9.742   6.970  -6.344
  137   3HZ   LYS  21          3HZ       LYS  21 -10.480   5.533  -6.102
  138    H    LEU  22           H        LEU  22  -3.577   3.579  -1.411
  139    HA   LEU  22           HA       LEU  22  -2.155   2.368  -3.651
  140   2HB   LEU  22          2HB       LEU  22  -2.064   1.332  -0.850
  141    HG   LEU  22           HG       LEU  22  -0.671   0.128  -2.379
  142   1HD1  LEU  22          1HD1      LEU  22  -0.172   1.177  -4.293
  143   2HD1  LEU  22          2HD1      LEU  22  -0.197   2.788  -3.537
  144   3HD1  LEU  22          3HD1      LEU  22   1.258   1.769  -3.414
  145   1HD2  LEU  22          1HD2      LEU  22   0.591   1.915  -0.379
  146   2HD2  LEU  22          2HD2      LEU  22   0.589   0.140  -0.505
  147   3HD2  LEU  22          3HD2      LEU  22   1.690   1.103  -1.521
  148    H    THR  23           H        THR  23  -3.794   1.448  -4.906
  149    HA   THR  23           HA       THR  23  -5.664  -0.333  -3.542
  150    HB   THR  23           HB       THR  23  -7.037   0.067  -5.384
  151    HG1  THR  23           HG1      THR  23  -4.538   0.470  -6.870
  152   1HG2  THR  23          1HG2      THR  23  -5.243   2.271  -6.333
  153   2HG2  THR  23          2HG2      THR  23  -6.971   2.326  -5.905
  154   3HG2  THR  23          3HG2      THR  23  -5.735   2.368  -4.625
  155    H    LYS  24           H        LYS  24  -6.107  -2.498  -4.545
  156    HA   LYS  24           HA       LYS  24  -3.802  -4.026  -4.468
  157   2HB   LYS  24          2HB       LYS  24  -6.484  -4.715  -5.706
  158   2HG   LYS  24          2HG       LYS  24  -5.380  -6.939  -4.410
  159   2HD   LYS  24          2HD       LYS  24  -4.694  -7.352  -7.053
  160   2HE   LYS  24          2HE       LYS  24  -7.317  -7.870  -7.241
  161   1HZ   LYS  24          1HZ       LYS  24  -6.176  -9.750  -6.974
  162   2HZ   LYS  24          2HZ       LYS  24  -5.181  -9.153  -5.825
  163   3HZ   LYS  24          3HZ       LYS  24  -6.674  -9.677  -5.420
  164    H    GLU  25           H        GLU  25  -5.880  -3.424  -7.394
  165    HA   GLU  25           HA       GLU  25  -4.315  -4.472  -9.253
  166   2HB   GLU  25          2HB       GLU  25  -5.220  -1.882 -10.226
  167   2HG   GLU  25          2HG       GLU  25  -6.462  -4.658 -10.500
  168    H    GLU  26           H        GLU  26  -3.976  -1.092  -7.969
  169    HA   GLU  26           HA       GLU  26  -1.769  -0.485  -9.539
  170   2HB   GLU  26          2HB       GLU  26  -2.568   0.666  -6.829
  171   2HG   GLU  26          2HG       GLU  26  -0.818   1.708  -9.102
  172    H    VAL  27           H        VAL  27  -2.139  -2.091  -6.367
  173    HA   VAL  27           HA       VAL  27   0.604  -1.952  -5.680
  174    HB   VAL  27           HB       VAL  27  -1.853  -3.323  -4.714
  175   1HG1  VAL  27          1HG1      VAL  27   0.951  -4.306  -4.201
  176   2HG1  VAL  27          2HG1      VAL  27  -0.317  -4.476  -2.964
  177   3HG1  VAL  27          3HG1      VAL  27  -0.524  -5.236  -4.561
  178   1HG2  VAL  27          1HG2      VAL  27  -0.912  -2.376  -2.523
  179   2HG2  VAL  27          2HG2      VAL  27   0.285  -1.536  -3.537
  180   3HG2  VAL  27          3HG2      VAL  27  -1.450  -1.207  -3.753
  181    H    THR  28           H        THR  28  -1.377  -4.885  -6.505
  182    HA   THR  28           HA       THR  28   0.704  -6.573  -7.013
  183    HB   THR  28           HB       THR  28  -2.103  -6.323  -8.195
  184    HG1  THR  28           HG1      THR  28  -1.753  -6.795  -5.883
  185   1HG2  THR  28          1HG2      THR  28  -1.190  -9.030  -8.200
  186   2HG2  THR  28          2HG2      THR  28  -1.617  -8.044  -9.619
  187   3HG2  THR  28          3HG2      THR  28   0.066  -8.088  -9.040
  188    H    SER  29           H        SER  29  -0.486  -3.915  -9.033
  189    HA   SER  29           HA       SER  29   0.720  -4.796 -11.387
  190   2HB   SER  29          2HB       SER  29   0.618  -2.188 -11.865
  191    HG   SER  29           HG       SER  29  -0.957  -3.816 -12.615
  192    H    PHE  30           H        PHE  30   1.744  -2.356  -8.888
  193    HA   PHE  30           HA       PHE  30   4.314  -2.064 -10.093
  194   2HB   PHE  30          2HB       PHE  30   3.463  -1.343  -7.243
  195    HD1  PHE  30           HD1      PHE  30   4.170   1.038  -9.925
  196    HD2  PHE  30           HD2      PHE  30   5.801  -1.082  -6.631
  197    HE1  PHE  30           HE1      PHE  30   6.172   2.552  -9.942
  198    HE2  PHE  30           HE2      PHE  30   7.802   0.432  -6.648
  199    HZ   PHE  30           HZ       PHE  30   7.964   2.231  -8.303
  200    H    PHE  31           H        PHE  31   2.856  -4.034  -7.510
  201    HA   PHE  31           HA       PHE  31   5.397  -4.788  -6.423
  202   2HB   PHE  31          2HB       PHE  31   3.714  -6.515  -5.306
  203    HD1  PHE  31           HD1      PHE  31   3.749  -5.998  -3.070
  204    HD2  PHE  31           HD2      PHE  31   3.036  -2.876  -5.853
  205    HE1  PHE  31           HE1      PHE  31   3.656  -4.341  -1.187
  206    HE2  PHE  31           HE2      PHE  31   2.943  -1.218  -3.970
  207    HZ   PHE  31           HZ       PHE  31   3.254  -1.971  -1.660
  208    H    LYS  32           H        LYS  32   3.396  -5.766  -9.101
  209    HA   LYS  32           HA       LYS  32   3.782  -8.467  -9.227
  210   2HB   LYS  32          2HB       LYS  32   4.051  -7.444 -11.862
  211   2HG   LYS  32          2HG       LYS  32   1.685  -8.378 -10.174
  212   2HD   LYS  32          2HD       LYS  32   1.516  -6.963 -12.589
  213   2HE   LYS  32          2HE       LYS  32   1.709  -9.944 -13.065
  214   1HZ   LYS  32          1HZ       LYS  32  -0.108  -8.062 -14.381
  215   2HZ   LYS  32          2HZ       LYS  32   0.438  -9.404 -15.136
  216   3HZ   LYS  32          3HZ       LYS  32  -0.452  -9.539 -13.775
  217    H    LYS  33           H        LYS  33   6.141  -5.886  -9.466
  218    HA   LYS  33           HA       LYS  33   8.084  -7.545 -10.793
  219   2HB   LYS  33          2HB       LYS  33   9.560  -5.502 -10.188
  220   2HG   LYS  33          2HG       LYS  33   7.156  -5.490 -12.046
  221   2HD   LYS  33          2HD       LYS  33   7.976  -3.113 -11.224
  222   2HE   LYS  33          2HE       LYS  33  10.279  -4.151 -12.894
  223   1HZ   LYS  33          1HZ       LYS  33  10.673  -2.148 -13.779
  224   2HZ   LYS  33          2HZ       LYS  33   9.050  -1.981 -13.701
  225   3HZ   LYS  33          3HZ       LYS  33   9.997  -1.307 -12.554
  226    H    HIS  34           H        HIS  34   7.192  -6.524  -7.489
  227    HA   HIS  34           HA       HIS  34   9.564  -7.777  -6.421
  228   2HB   HIS  34          2HB       HIS  34   8.706  -6.988  -4.255
  229    HD1  HIS  34           HD1      HIS  34  10.991  -5.756  -5.251
  230    HD2  HIS  34           HD2      HIS  34   7.310  -3.849  -5.890
  231    HE1  HIS  34           HE1      HIS  34  11.532  -3.325  -5.806
  232    H    GLY  35           H        GLY  35   7.297  -8.313  -4.097
  233   1HA   GLY  35          1HA       GLY  35   6.699 -11.031  -5.107
  234   2HA   GLY  35          2HA       GLY  35   7.156 -10.677  -3.453
  235    H    ILE  36           H        ILE  36   4.887  -8.992  -5.739
  236    HA   ILE  36           HA       ILE  36   3.047  -8.063  -4.133
  237    HB   ILE  36           HB       ILE  36   2.586  -7.743  -6.336
  238   2HG1  ILE  36          2HG1      ILE  36   0.643  -9.981  -5.697
  239   1HG2  ILE  36          1HG2      ILE  36   2.312  -9.705  -7.967
  240   2HG2  ILE  36          2HG2      ILE  36   3.956  -9.294  -7.423
  241   3HG2  ILE  36          3HG2      ILE  36   3.107 -10.688  -6.713
  242   1HD1  ILE  36          1HD1      ILE  36  -0.619  -8.463  -4.430
  243   2HD1  ILE  36          2HD1      ILE  36   1.039  -8.020  -3.958
  244   3HD1  ILE  36          3HD1      ILE  36   0.167  -7.043  -5.163
  245    H    GLU  37           H        GLU  37   3.287 -11.568  -4.993
  246    HA   GLU  37           HA       GLU  37   1.152 -12.617  -3.916
  247   2HB   GLU  37          2HB       GLU  37   3.147 -14.253  -2.803
  248   2HG   GLU  37          2HG       GLU  37   2.455 -14.322  -5.753
  249    H    LYS  38           H        LYS  38   4.101 -12.092  -1.839
  250    HA   LYS  38           HA       LYS  38   2.926 -12.604   0.568
  251   2HB   LYS  38          2HB       LYS  38   5.158 -10.691  -0.160
  252   2HG   LYS  38          2HG       LYS  38   4.044 -11.591   2.516
  253   2HD   LYS  38          2HD       LYS  38   6.839 -10.455   2.202
  254   2HE   LYS  38          2HE       LYS  38   5.939 -12.350   4.364
  255   1HZ   LYS  38          1HZ       LYS  38   8.053 -10.649   3.883
  256   2HZ   LYS  38          2HZ       LYS  38   7.245 -10.024   5.157
  257   3HZ   LYS  38          3HZ       LYS  38   7.792 -11.561   5.213
  258    H    VAL  39           H        VAL  39   3.514  -9.240  -0.684
  259    HA   VAL  39           HA       VAL  39   2.006  -7.903   1.118
  260    HB   VAL  39           HB       VAL  39   2.481  -7.435  -1.823
  261   1HG1  VAL  39          1HG1      VAL  39   0.936  -5.826  -1.830
  262   2HG1  VAL  39          2HG1      VAL  39   0.585  -6.091  -0.106
  263   3HG1  VAL  39          3HG1      VAL  39   1.880  -4.970  -0.588
  264   1HG2  VAL  39          1HG2      VAL  39   3.637  -5.686   0.282
  265   2HG2  VAL  39          2HG2      VAL  39   4.247  -7.357   0.224
  266   3HG2  VAL  39          3HG2      VAL  39   4.362  -6.317  -1.216
  267    H    ALA  40           H        ALA  40   0.913  -9.955  -1.566
  268    HA   ALA  40           HA       ALA  40  -1.712  -9.030  -1.735
  269   1HB   ALA  40          1HB       ALA  40  -1.916 -10.726  -3.238
  270   2HB   ALA  40          2HB       ALA  40  -0.153 -10.867  -3.035
  271   3HB   ALA  40          3HB       ALA  40  -1.242 -11.934  -2.118
  272    H    GLU  41           H        GLU  41  -0.255 -11.724   0.215
  273    HA   GLU  41           HA       GLU  41  -2.632 -12.436   1.432
  274   2HB   GLU  41          2HB       GLU  41   0.060 -12.689   2.805
  275   2HG   GLU  41          2HG       GLU  41  -2.287 -14.609   2.433
  276    H    GLN  42           H        GLN  42  -0.007 -10.162   2.462
  277    HA   GLN  42           HA       GLN  42  -1.140  -9.566   4.920
  278   2HB   GLN  42          2HB       GLN  42   0.553  -7.656   3.266
  279   2HG   GLN  42          2HG       GLN  42  -0.469  -7.319   5.768
  280   1HE2  GLN  42          1HE2      GLN  42   0.300  -7.329   7.907
  281   2HE2  GLN  42          2HE2      GLN  42   1.348  -8.573   8.504
  282    H    VAL  43           H        VAL  43  -1.460  -8.031   1.665
  283    HA   VAL  43           HA       VAL  43  -3.057  -5.891   2.550
  284    HB   VAL  43           HB       VAL  43  -2.469  -7.201  -0.088
  285   1HG1  VAL  43          1HG1      VAL  43  -3.720  -5.000  -0.942
  286   2HG1  VAL  43          2HG1      VAL  43  -4.572  -6.545  -0.703
  287   3HG1  VAL  43          3HG1      VAL  43  -4.664  -5.275   0.541
  288   1HG2  VAL  43          1HG2      VAL  43  -1.185  -5.290  -0.535
  289   2HG2  VAL  43          2HG2      VAL  43  -2.007  -4.327   0.717
  290   3HG2  VAL  43          3HG2      VAL  43  -0.874  -5.618   1.186
  291    H    MET  44           H        MET  44  -3.711  -9.269   1.600
  292    HA   MET  44           HA       MET  44  -6.442  -8.979   1.220
  293   2HB   MET  44          2HB       MET  44  -5.837 -11.574   2.350
  294   2HG   MET  44          2HG       MET  44  -5.865 -12.218  -0.154
  295   1HE   MET  44          1HE       MET  44  -7.733 -13.078  -1.137
  296   2HE   MET  44          2HE       MET  44  -8.043 -13.842   0.441
  297   3HE   MET  44          3HE       MET  44  -9.381 -13.095  -0.464
  298    H    LYS  45           H        LYS  45  -4.477  -9.732   4.156
  299    HA   LYS  45           HA       LYS  45  -6.818 -10.036   5.779
  300   2HB   LYS  45          2HB       LYS  45  -5.031 -10.069   7.621
  301   2HG   LYS  45          2HG       LYS  45  -5.623 -12.001   5.471
  302   2HD   LYS  45          2HD       LYS  45  -2.992 -12.188   7.010
  303   2HE   LYS  45          2HE       LYS  45  -2.967 -14.434   5.567
  304   1HZ   LYS  45          1HZ       LYS  45  -3.074 -14.068   8.071
  305   2HZ   LYS  45          2HZ       LYS  45  -4.656 -14.453   7.946
  306   3HZ   LYS  45          3HZ       LYS  45  -3.515 -15.529   7.490
  307    H    ALA  46           H        ALA  46  -4.795  -7.421   4.633
  308    HA   ALA  46           HA       ALA  46  -5.476  -5.652   6.790
  309   1HB   ALA  46          1HB       ALA  46  -4.363  -4.848   4.095
  310   2HB   ALA  46          2HB       ALA  46  -4.070  -4.119   5.692
  311   3HB   ALA  46          3HB       ALA  46  -3.348  -5.694   5.288
  312    H    ASP  47           H        ASP  47  -6.375  -6.069   3.301
  313    HA   ASP  47           HA       ASP  47  -8.598  -4.270   3.826
  314   2HB   ASP  47          2HB       ASP  47  -7.494  -5.289   1.165
  315    H    ALA  48           H        ALA  48  -9.228  -6.547   5.015
  316    HA   ALA  48           HA       ALA  48 -10.441  -8.346   3.052
  317   1HB   ALA  48          1HB       ALA  48 -10.784  -9.432   5.593
  318   2HB   ALA  48          2HB       ALA  48  -9.484  -9.841   4.448
  319   3HB   ALA  48          3HB       ALA  48  -9.208  -8.611   5.705
  320    H    ASN  49           H        ASN  49 -11.123  -6.254   5.905
  321    HA   ASN  49           HA       ASN  49 -13.728  -6.897   6.281
  322   2HB   ASN  49          2HB       ASN  49 -13.253  -3.978   6.430
  323   1HD2  ASN  49          1HD2      ASN  49 -12.208  -4.955   9.255
  324   2HD2  ASN  49          2HD2      ASN  49 -13.670  -5.281  10.125
  325    H    GLY  50           H        GLY  50 -12.173  -5.314   3.579
  326   1HA   GLY  50          1HA       GLY  50 -14.739  -4.966   2.246
  327   2HA   GLY  50          2HA       GLY  50 -13.793  -3.512   2.492
  328    H    ASP  51           H        ASP  51 -12.654  -2.954   0.693
  329    HA   ASP  51           HA       ASP  51 -10.722  -4.586  -0.368
  330   2HB   ASP  51          2HB       ASP  51 -13.071  -4.324  -2.285
  331    H    GLY  52           H        GLY  52 -10.497  -2.044   0.404
  332   1HA   GLY  52          1HA       GLY  52 -10.950  -0.301  -1.931
  333   2HA   GLY  52          2HA       GLY  52 -10.730   0.220  -0.273
  334    H    TYR  53           H        TYR  53  -8.951   1.605  -0.716
  335    HA   TYR  53           HA       TYR  53  -6.495   0.156  -1.441
  336   2HB   TYR  53          2HB       TYR  53  -6.899   1.611  -3.294
  337    HD1  TYR  53           HD1      TYR  53  -8.610   2.741  -4.365
  338    HD2  TYR  53           HD2      TYR  53  -7.711   3.747  -0.304
  339    HE1  TYR  53           HE1      TYR  53 -10.510   4.430  -4.355
  340    HE2  TYR  53           HE2      TYR  53  -9.614   5.434  -0.309
  341    HH   TYR  53           HH       TYR  53 -11.956   5.500  -1.895
  342    H    ILE  54           H        ILE  54  -4.474   1.411  -0.681
  343    HA   ILE  54           HA       ILE  54  -5.009   2.262   2.061
  344    HB   ILE  54           HB       ILE  54  -3.001   0.659   0.755
  345   2HG1  ILE  54          2HG1      ILE  54  -4.006   1.174   3.531
  346   1HG2  ILE  54          1HG2      ILE  54  -1.092   1.596   2.185
  347   2HG2  ILE  54          2HG2      ILE  54  -1.502   2.458   0.683
  348   3HG2  ILE  54          3HG2      ILE  54  -2.046   3.096   2.253
  349   1HD1  ILE  54          1HD1      ILE  54  -4.269  -0.828   1.428
  350   2HD1  ILE  54          2HD1      ILE  54  -3.656  -1.570   2.925
  351   3HD1  ILE  54          3HD1      ILE  54  -5.188  -0.666   2.943
  352    H    THR  55           H        THR  55  -5.479   4.420   2.094
  353    HA   THR  55           HA       THR  55  -3.850   6.182   0.414
  354    HB   THR  55           HB       THR  55  -5.657   7.767   0.756
  355    HG1  THR  55           HG1      THR  55  -6.695   5.792   2.650
  356   1HG2  THR  55          1HG2      THR  55  -6.246   5.104  -0.154
  357   2HG2  THR  55          2HG2      THR  55  -7.595   5.608   0.892
  358   3HG2  THR  55          3HG2      THR  55  -7.147   6.596  -0.519
  359    H    LEU  56           H        LEU  56  -2.411   7.654   1.185
  360    HA   LEU  56           HA       LEU  56  -1.025   7.245   3.422
  361   2HB   LEU  56          2HB       LEU  56  -1.560  10.081   2.659
  362    HG   LEU  56           HG       LEU  56   0.839   8.457   3.419
  363   1HD1  LEU  56          1HD1      LEU  56   2.169   9.300   1.860
  364   2HD1  LEU  56          2HD1      LEU  56   0.807  10.193   1.143
  365   3HD1  LEU  56          3HD1      LEU  56   1.783  10.941   2.431
  366   1HD2  LEU  56          1HD2      LEU  56   1.281  10.841   4.485
  367   2HD2  LEU  56          2HD2      LEU  56  -0.479  10.999   4.269
  368   3HD2  LEU  56          3HD2      LEU  56   0.183   9.663   5.242
  369    H    GLU  57           H        GLU  57  -4.075   9.151   3.175
  370    HA   GLU  57           HA       GLU  57  -4.066  10.105   5.750
  371   2HB   GLU  57          2HB       GLU  57  -5.618  10.970   4.106
  372   2HG   GLU  57          2HG       GLU  57  -6.978   8.236   4.166
  373    H    GLU  58           H        GLU  58  -5.479   7.051   4.400
  374    HA   GLU  58           HA       GLU  58  -6.355   6.226   6.966
  375   2HB   GLU  58          2HB       GLU  58  -6.054   4.545   4.441
  376   2HG   GLU  58          2HG       GLU  58  -7.232   4.134   7.123
  377    H    PHE  59           H        PHE  59  -3.632   5.392   4.739
  378    HA   PHE  59           HA       PHE  59  -2.555   3.276   6.051
  379   2HB   PHE  59          2HB       PHE  59  -0.765   5.547   5.132
  380    HD1  PHE  59           HD1      PHE  59  -1.877   2.028   4.693
  381    HD2  PHE  59           HD2      PHE  59   1.287   4.825   4.276
  382    HE1  PHE  59           HE1      PHE  59  -0.298   0.158   4.140
  383    HE2  PHE  59           HE2      PHE  59   2.867   2.955   3.724
  384    HZ   PHE  59           HZ       PHE  59   2.056   0.643   3.663
  385    H    LEU  60           H        LEU  60  -2.196   6.781   6.835
  386    HA   LEU  60           HA       LEU  60  -0.382   6.207   8.983
  387   2HB   LEU  60          2HB       LEU  60  -1.808   8.792   8.370
  388    HG   LEU  60           HG       LEU  60   0.495   8.052  10.076
  389   1HD1  LEU  60          1HD1      LEU  60   2.000   9.108   8.771
  390   2HD1  LEU  60          2HD1      LEU  60   0.758  10.027   7.887
  391   3HD1  LEU  60          3HD1      LEU  60   1.289  10.569   9.497
  392   1HD2  LEU  60          1HD2      LEU  60  -1.045   9.030  11.397
  393   2HD2  LEU  60          2HD2      LEU  60  -0.281  10.534  10.830
  394   3HD2  LEU  60          3HD2      LEU  60  -1.775   9.948  10.058
  395    H    GLU  61           H        GLU  61  -3.695   7.704   8.816
  396    HA   GLU  61           HA       GLU  61  -4.220   7.719  11.445
  397   2HB   GLU  61          2HB       GLU  61  -6.364   6.853   9.487
  398   2HG   GLU  61          2HG       GLU  61  -7.084   9.160  10.952
  399    H    PHE  62           H        PHE  62  -4.030   4.917   9.297
  400    HA   PHE  62           HA       PHE  62  -5.400   3.171  11.105
  401   2HB   PHE  62          2HB       PHE  62  -3.628   2.872   8.612
  402    HD1  PHE  62           HD1      PHE  62  -6.531   0.795   9.305
  403    HD2  PHE  62           HD2      PHE  62  -2.294   0.981   9.447
  404    HE1  PHE  62           HE1      PHE  62  -6.430  -1.700   9.559
  405    HE2  PHE  62           HE2      PHE  62  -2.193  -1.514   9.700
  406    HZ   PHE  62           HZ       PHE  62  -4.263  -2.825   9.753
  407    H    SER  63           H        SER  63  -2.031   4.138  10.394
  408    HA   SER  63           HA       SER  63  -0.891   2.004  11.823
  409   2HB   SER  63          2HB       SER  63   0.248   4.725  11.044
  410    HG   SER  63           HG       SER  63   2.006   4.084  12.067
  411    H    LEU  64           H        LEU  64  -1.534   5.500  12.559
  412    HA   LEU  64           HA       LEU  64  -0.630   5.179  15.263
  413   2HB   LEU  64          2HB       LEU  64  -2.199   7.551  14.421
  414    HG   LEU  64           HG       LEU  64  -0.612   7.176  16.548
  415   1HD1  LEU  64          1HD1      LEU  64   1.228   7.740  14.278
  416   2HD1  LEU  64          2HD1      LEU  64   1.526   8.596  15.811
  417   3HD1  LEU  64          3HD1      LEU  64   1.493   6.816  15.777
  418   1HD2  LEU  64          1HD2      LEU  64  -1.585   9.170  16.779
  419   2HD2  LEU  64          2HD2      LEU  64  -0.117   9.838  16.026
  420   3HD2  LEU  64          3HD2      LEU  64  -1.550   9.493  15.029
  Start of MODEL    7
    1   1H    SER   1          HT1       SER   1   4.547   9.025  10.384
    2    HA   SER   1           HA       SER   1   5.176   8.334  13.063
    3   2HB   SER   1          2HB       SER   1   3.291   6.586  11.436
    4    HG   SER   1           HG       SER   1   3.601   5.089  13.322
    5    H    ASP   2           H        ASP   2   7.311   7.751  12.920
    6    HA   ASP   2           HA       ASP   2   8.599   7.419  10.545
    7   2HB   ASP   2          2HB       ASP   2  10.510   6.841  11.840
    8    H    ASP   3           H        ASP   3   6.988   5.071  12.727
    9    HA   ASP   3           HA       ASP   3   8.062   2.800  11.448
   10   2HB   ASP   3          2HB       ASP   3   5.458   2.852  13.011
   11    H    LYS   4           H        LYS   4   7.217   4.279   9.324
   12    HA   LYS   4           HA       LYS   4   5.498   2.690   7.929
   13   2HB   LYS   4          2HB       LYS   4   3.743   4.979   8.325
   14   2HG   LYS   4          2HG       LYS   4   3.403   2.557   7.293
   15   2HD   LYS   4          2HD       LYS   4   2.928   2.152  10.279
   16   2HE   LYS   4          2HE       LYS   4   2.258   0.055   8.217
   17   1HZ   LYS   4          1HZ       LYS   4   1.300   0.792  10.890
   18   2HZ   LYS   4          2HZ       LYS   4   0.588  -0.359   9.978
   19   3HZ   LYS   4          3HZ       LYS   4   2.134  -0.546  10.468
   20    H    ILE   5           H        ILE   5   6.773   5.937   8.637
   21    HA   ILE   5           HA       ILE   5   6.376   7.295   6.363
   22    HB   ILE   5           HB       ILE   5   7.824   7.717   8.522
   23   2HG1  ILE   5          2HG1      ILE   5   8.284   9.798   7.673
   24   1HG2  ILE   5          1HG2      ILE   5   9.888   6.902   6.461
   25   2HG2  ILE   5          2HG2      ILE   5  10.246   7.862   7.917
   26   3HG2  ILE   5          3HG2      ILE   5   9.623   6.202   8.076
   27   1HD1  ILE   5          1HD1      ILE   5  10.065   9.210   6.113
   28   2HD1  ILE   5          2HD1      ILE   5   8.901   8.423   5.019
   29   3HD1  ILE   5          3HD1      ILE   5   8.860  10.189   5.242
   30    H    GLY   6           H        GLY   6   8.470   4.439   6.810
   31   1HA   GLY   6          1HA       GLY   6   9.804   4.642   4.309
   32   2HA   GLY   6          2HA       GLY   6   9.698   3.237   5.351
   33    H    LEU   7           H        LEU   7   7.250   2.313   5.458
   34    HA   LEU   7           HA       LEU   7   6.735   1.218   2.988
   35   2HB   LEU   7          2HB       LEU   7   4.317   1.156   4.358
   36    HG   LEU   7           HG       LEU   7   5.464  -0.834   3.452
   37   1HD1  LEU   7          1HD1      LEU   7   7.162  -1.914   5.099
   38   2HD1  LEU   7          2HD1      LEU   7   7.714  -0.659   3.965
   39   3HD1  LEU   7          3HD1      LEU   7   7.406  -0.245   5.668
   40   1HD2  LEU   7          1HD2      LEU   7   4.779  -2.390   5.171
   41   2HD2  LEU   7          2HD2      LEU   7   4.823  -1.104   6.401
   42   3HD2  LEU   7          3HD2      LEU   7   3.622  -1.038   5.089
   43    H    LYS   8           H        LYS   8   5.628   4.279   4.437
   44    HA   LYS   8           HA       LYS   8   3.590   4.730   2.522
   45   2HB   LYS   8          2HB       LYS   8   5.044   6.617   4.399
   46   2HG   LYS   8          2HG       LYS   8   2.421   7.513   3.868
   47   2HD   LYS   8          2HD       LYS   8   4.106   9.058   2.240
   48   2HE   LYS   8          2HE       LYS   8   4.460   9.999   4.888
   49   1HZ   LYS   8          1HZ       LYS   8   3.004  11.598   4.181
   50   2HZ   LYS   8          2HZ       LYS   8   3.553  11.033   2.751
   51   3HZ   LYS   8          3HZ       LYS   8   2.085  10.575   3.300
   52    H    VAL   9           H        VAL   9   7.073   5.579   2.807
   53    HA   VAL   9           HA       VAL   9   7.203   7.352   0.688
   54    HB   VAL   9           HB       VAL   9   9.152   5.446   1.960
   55   1HG1  VAL   9          1HG1      VAL   9  10.633   7.336   0.490
   56   2HG1  VAL   9          2HG1      VAL   9  10.520   5.583   0.202
   57   3HG1  VAL   9          3HG1      VAL   9   9.414   6.696  -0.639
   58   1HG2  VAL   9          1HG2      VAL   9   9.674   8.341   1.979
   59   2HG2  VAL   9          2HG2      VAL   9   8.148   7.878   2.769
   60   3HG2  VAL   9          3HG2      VAL   9   9.685   7.162   3.312
   61    H    LEU  10           H        LEU  10   7.687   3.754   0.731
   62    HA   LEU  10           HA       LEU  10   8.105   3.554  -2.028
   63   2HB   LEU  10          2HB       LEU  10   7.121   1.122  -1.314
   64    HG   LEU  10           HG       LEU  10   9.720   2.236  -1.639
   65   1HD1  LEU  10          1HD1      LEU  10   9.604   1.854   0.968
   66   2HD1  LEU  10          2HD1      LEU  10   9.896   0.159   0.508
   67   3HD1  LEU  10          3HD1      LEU  10  11.057   1.423   0.034
   68   1HD2  LEU  10          1HD2      LEU  10   9.352  -0.709  -1.412
   69   2HD2  LEU  10          2HD2      LEU  10   8.374   0.152  -2.625
   70   3HD2  LEU  10          3HD2      LEU  10  10.149   0.262  -2.674
   71    H    TYR  11           H        TYR  11   5.136   3.123   0.006
   72    HA   TYR  11           HA       TYR  11   3.412   2.456  -2.049
   73   2HB   TYR  11          2HB       TYR  11   3.399   3.661   0.709
   74    HD1  TYR  11           HD1      TYR  11   1.676   4.836   1.843
   75    HD2  TYR  11           HD2      TYR  11   1.115   3.662  -2.232
   76    HE1  TYR  11           HE1      TYR  11  -0.424   6.264   1.713
   77    HE2  TYR  11           HE2      TYR  11  -0.983   5.093  -2.348
   78    HH   TYR  11           HH       TYR  11  -2.335   6.390  -1.283
   79    H    LYS  12           H        LYS  12   4.102   5.734  -0.633
   80    HA   LYS  12           HA       LYS  12   2.409   7.136  -2.316
   81   2HB   LYS  12          2HB       LYS  12   4.889   7.877  -0.768
   82   2HG   LYS  12          2HG       LYS  12   3.869  10.286  -1.237
   83   2HD   LYS  12          2HD       LYS  12   5.303   9.373  -3.674
   84   2HE   LYS  12          2HE       LYS  12   6.870  11.031  -1.926
   85   1HZ   LYS  12          1HZ       LYS  12   5.580  11.172  -4.472
   86   2HZ   LYS  12          2HZ       LYS  12   5.777  12.624  -3.752
   87   3HZ   LYS  12          3HZ       LYS  12   7.071  11.668  -4.031
   88    H    LEU  13           H        LEU  13   5.689   5.832  -2.817
   89    HA   LEU  13           HA       LEU  13   6.026   7.278  -5.276
   90   2HB   LEU  13          2HB       LEU  13   7.701   4.936  -4.487
   91    HG   LEU  13           HG       LEU  13   8.227   7.629  -5.737
   92   1HD1  LEU  13          1HD1      LEU  13  10.554   5.906  -5.068
   93   2HD1  LEU  13          2HD1      LEU  13  10.422   7.678  -5.178
   94   3HD1  LEU  13          3HD1      LEU  13   9.817   6.827  -3.735
   95   1HD2  LEU  13          1HD2      LEU  13   9.526   5.194  -6.767
   96   2HD2  LEU  13          2HD2      LEU  13   7.749   5.190  -6.859
   97   3HD2  LEU  13          3HD2      LEU  13   8.677   6.503  -7.624
   98    H    MET  14           H        MET  14   4.701   4.194  -4.175
   99    HA   MET  14           HA       MET  14   4.881   2.913  -6.665
  100   2HB   MET  14          2HB       MET  14   2.889   1.554  -5.471
  101   2HG   MET  14          2HG       MET  14   5.751   1.740  -4.419
  102   1HE   MET  14          1HE       MET  14   5.255  -2.216  -3.243
  103   2HE   MET  14          2HE       MET  14   5.269  -1.655  -4.932
  104   3HE   MET  14          3HE       MET  14   6.514  -1.085  -3.794
  105    H    ASP  15           H        ASP  15   2.215   4.674  -4.948
  106    HA   ASP  15           HA       ASP  15   0.198   4.245  -6.654
  107   2HB   ASP  15          2HB       ASP  15   1.034   6.752  -5.149
  108    H    VAL  16           H        VAL  16   0.769   4.155  -8.904
  109    HA   VAL  16           HA       VAL  16   1.738   6.691 -10.031
  110    HB   VAL  16           HB       VAL  16   3.320   4.792 -10.163
  111   1HG1  VAL  16          1HG1      VAL  16   1.261   3.149 -10.505
  112   2HG1  VAL  16          2HG1      VAL  16   1.609   3.456 -12.224
  113   3HG1  VAL  16          3HG1      VAL  16   2.871   2.778 -11.168
  114   1HG2  VAL  16          1HG2      VAL  16   3.432   4.880 -12.807
  115   2HG2  VAL  16          2HG2      VAL  16   2.188   6.133 -12.591
  116   3HG2  VAL  16          3HG2      VAL  16   3.781   6.319 -11.820
  117    H    ASP  17           H        ASP  17  -0.573   3.969 -10.197
  118    HA   ASP  17           HA       ASP  17  -1.744   4.239 -12.531
  119   2HB   ASP  17          2HB       ASP  17  -2.948   3.945  -9.763
  120    H    GLY  18           H        GLY  18  -2.308   6.361  -9.635
  121   1HA   GLY  18          1HA       GLY  18  -2.482   8.737  -9.999
  122   2HA   GLY  18          2HA       GLY  18  -3.412   8.417 -11.449
  123    H    ASP  19           H        ASP  19  -3.445   8.439  -7.889
  124    HA   ASP  19           HA       ASP  19  -6.203   8.980  -7.911
  125   2HB   ASP  19          2HB       ASP  19  -6.660   6.960  -6.287
  126    H    GLY  20           H        GLY  20  -3.404   7.621  -6.031
  127   1HA   GLY  20          1HA       GLY  20  -2.327   9.040  -4.415
  128   2HA   GLY  20          2HA       GLY  20  -3.896   9.672  -3.959
  129    H    LYS  21           H        LYS  21  -5.041   6.788  -4.306
  130    HA   LYS  21           HA       LYS  21  -4.285   5.950  -1.613
  131   2HB   LYS  21          2HB       LYS  21  -6.377   4.900  -1.467
  132   2HG   LYS  21          2HG       LYS  21  -6.246   7.588  -2.070
  133   2HD   LYS  21          2HD       LYS  21  -8.005   6.196  -4.114
  134   2HE   LYS  21          2HE       LYS  21  -9.345   7.870  -2.660
  135   1HZ   LYS  21          1HZ       LYS  21  -8.770  10.173  -3.708
  136   2HZ   LYS  21          2HZ       LYS  21  -8.051   9.669  -2.332
  137   3HZ   LYS  21          3HZ       LYS  21  -7.262   9.549  -3.756
  138    H    LEU  22           H        LEU  22  -3.811   3.689  -1.166
  139    HA   LEU  22           HA       LEU  22  -2.418   2.490  -3.429
  140   2HB   LEU  22          2HB       LEU  22  -2.244   1.481  -0.622
  141    HG   LEU  22           HG       LEU  22  -0.866   0.275  -2.151
  142   1HD1  LEU  22          1HD1      LEU  22  -0.524   1.337  -4.110
  143   2HD1  LEU  22          2HD1      LEU  22  -0.411   2.943  -3.351
  144   3HD1  LEU  22          3HD1      LEU  22   0.991   1.846  -3.328
  145   1HD2  LEU  22          1HD2      LEU  22   0.355   2.072  -0.172
  146   2HD2  LEU  22          2HD2      LEU  22   0.525   0.315  -0.398
  147   3HD2  LEU  22          3HD2      LEU  22   1.492   1.436  -1.385
  148    H    THR  23           H        THR  23  -4.066   1.530  -4.642
  149    HA   THR  23           HA       THR  23  -5.884  -0.264  -3.231
  150    HB   THR  23           HB       THR  23  -7.272   0.069  -5.078
  151    HG1  THR  23           HG1      THR  23  -4.797   0.516  -6.589
  152   1HG2  THR  23          1HG2      THR  23  -5.610   2.290  -6.143
  153   2HG2  THR  23          2HG2      THR  23  -7.281   2.326  -5.529
  154   3HG2  THR  23          3HG2      THR  23  -5.912   2.407  -4.394
  155    H    LYS  24           H        LYS  24  -6.298  -2.457  -4.179
  156    HA   LYS  24           HA       LYS  24  -3.932  -3.921  -4.125
  157   2HB   LYS  24          2HB       LYS  24  -6.456  -4.975  -5.371
  158   2HG   LYS  24          2HG       LYS  24  -5.518  -6.610  -3.287
  159   2HD   LYS  24          2HD       LYS  24  -4.857  -6.739  -6.269
  160   2HE   LYS  24          2HE       LYS  24  -3.699  -8.316  -4.423
  161   1HZ   LYS  24          1HZ       LYS  24  -6.372  -8.959  -4.197
  162   2HZ   LYS  24          2HZ       LYS  24  -5.654 -10.227  -4.934
  163   3HZ   LYS  24          3HZ       LYS  24  -5.104  -9.704  -3.488
  164    H    GLU  25           H        GLU  25  -6.178  -3.396  -6.940
  165    HA   GLU  25           HA       GLU  25  -4.749  -4.523  -8.862
  166   2HB   GLU  25          2HB       GLU  25  -5.877  -1.775  -9.412
  167   2HG   GLU  25          2HG       GLU  25  -5.692  -4.456 -10.788
  168    H    GLU  26           H        GLU  26  -4.316  -1.067  -7.809
  169    HA   GLU  26           HA       GLU  26  -2.166  -0.591  -9.478
  170   2HB   GLU  26          2HB       GLU  26  -2.832   0.702  -6.796
  171   2HG   GLU  26          2HG       GLU  26  -1.134   1.603  -9.167
  172    H    VAL  27           H        VAL  27  -2.409  -2.085  -6.249
  173    HA   VAL  27           HA       VAL  27   0.370  -1.945  -5.692
  174    HB   VAL  27           HB       VAL  27  -2.080  -3.055  -4.509
  175   1HG1  VAL  27          1HG1      VAL  27  -1.152  -5.165  -4.430
  176   2HG1  VAL  27          2HG1      VAL  27   0.517  -4.552  -4.368
  177   3HG1  VAL  27          3HG1      VAL  27  -0.516  -4.466  -2.922
  178   1HG2  VAL  27          1HG2      VAL  27   0.189  -2.324  -2.781
  179   2HG2  VAL  27          2HG2      VAL  27  -0.296  -1.047  -3.922
  180   3HG2  VAL  27          3HG2      VAL  27  -1.489  -1.730  -2.790
  181    H    THR  28           H        THR  28  -1.694  -4.877  -6.284
  182    HA   THR  28           HA       THR  28   0.220  -6.692  -6.756
  183    HB   THR  28           HB       THR  28  -2.473  -6.205  -8.111
  184    HG1  THR  28           HG1      THR  28  -1.405  -8.145  -6.188
  185   1HG2  THR  28          1HG2      THR  28  -0.472  -8.021  -9.024
  186   2HG2  THR  28          2HG2      THR  28  -1.583  -8.989  -8.026
  187   3HG2  THR  28          3HG2      THR  28  -2.208  -8.065  -9.413
  188    H    SER  29           H        SER  29  -0.797  -4.117  -9.035
  189    HA   SER  29           HA       SER  29   0.645  -5.115 -11.188
  190   2HB   SER  29          2HB       SER  29   0.601  -2.293 -11.425
  191    HG   SER  29           HG       SER  29  -0.234  -4.215 -12.843
  192    H    PHE  30           H        PHE  30   1.422  -2.257  -9.058
  193    HA   PHE  30           HA       PHE  30   4.042  -2.013  -9.951
  194   2HB   PHE  30          2HB       PHE  30   3.301  -1.364  -7.093
  195    HD1  PHE  30           HD1      PHE  30   5.921  -1.061  -7.685
  196    HD2  PHE  30           HD2      PHE  30   2.778   1.450  -9.037
  197    HE1  PHE  30           HE1      PHE  30   7.561   0.809  -8.026
  198    HE2  PHE  30           HE2      PHE  30   4.419   3.320  -9.377
  199    HZ   PHE  30           HZ       PHE  30   6.790   2.976  -8.868
  200    H    PHE  31           H        PHE  31   2.563  -4.052  -7.419
  201    HA   PHE  31           HA       PHE  31   5.107  -4.755  -6.299
  202   2HB   PHE  31          2HB       PHE  31   3.341  -6.565  -5.302
  203    HD1  PHE  31           HD1      PHE  31   4.511  -5.986  -3.302
  204    HD2  PHE  31           HD2      PHE  31   1.992  -3.139  -5.189
  205    HE1  PHE  31           HE1      PHE  31   4.632  -4.526  -1.263
  206    HE2  PHE  31           HE2      PHE  31   2.114  -1.680  -3.150
  207    HZ   PHE  31           HZ       PHE  31   3.432  -2.391  -1.212
  208    H    LYS  32           H        LYS  32   3.122  -5.787  -8.975
  209    HA   LYS  32           HA       LYS  32   3.420  -8.440  -9.164
  210   2HB   LYS  32          2HB       LYS  32   2.523  -6.580 -10.824
  211   2HG   LYS  32          2HG       LYS  32   5.239  -7.375 -11.977
  212   2HD   LYS  32          2HD       LYS  32   2.747  -6.773 -13.295
  213   2HE   LYS  32          2HE       LYS  32   3.878  -4.361 -12.784
  214   1HZ   LYS  32          1HZ       LYS  32   4.959  -4.932 -15.419
  215   2HZ   LYS  32          2HZ       LYS  32   5.392  -3.774 -14.352
  216   3HZ   LYS  32          3HZ       LYS  32   5.856  -5.321 -14.110
  217    H    LYS  33           H        LYS  33   5.992  -5.997  -9.333
  218    HA   LYS  33           HA       LYS  33   7.917  -7.996 -10.171
  219   2HB   LYS  33          2HB       LYS  33   8.088  -5.822 -11.194
  220   2HG   LYS  33          2HG       LYS  33   8.276  -4.812  -8.320
  221   2HD   LYS  33          2HD       LYS  33   8.340  -2.592  -9.984
  222   2HE   LYS  33          2HE       LYS  33  11.028  -3.647  -9.289
  223   1HZ   LYS  33          1HZ       LYS  33  11.219  -1.489  -9.011
  224   2HZ   LYS  33          2HZ       LYS  33   9.629  -1.253  -9.300
  225   3HZ   LYS  33          3HZ       LYS  33  10.153  -1.503  -7.774
  226    H    HIS  34           H        HIS  34   7.088  -5.955  -7.310
  227    HA   HIS  34           HA       HIS  34   9.216  -6.823  -5.738
  228   2HB   HIS  34          2HB       HIS  34   7.858  -5.975  -3.851
  229    HD1  HIS  34           HD1      HIS  34   6.147  -3.357  -5.141
  230    HD2  HIS  34           HD2      HIS  34  10.148  -4.500  -5.674
  231    HE1  HIS  34           HE1      HIS  34   7.403  -1.253  -5.854
  232    H    GLY  35           H        GLY  35   6.586  -7.509  -3.779
  233   1HA   GLY  35          1HA       GLY  35   6.880 -10.414  -4.263
  234   2HA   GLY  35          2HA       GLY  35   6.748  -9.681  -2.678
  235    H    ILE  36           H        ILE  36   4.927  -8.985  -5.739
  236    HA   ILE  36           HA       ILE  36   2.532  -8.429  -4.756
  237    HB   ILE  36           HB       ILE  36   2.930  -8.348  -7.078
  238   2HG1  ILE  36          2HG1      ILE  36   0.908  -9.209  -7.962
  239   1HG2  ILE  36          1HG2      ILE  36   4.234  -9.884  -8.018
  240   2HG2  ILE  36          2HG2      ILE  36   3.931 -11.045  -6.704
  241   3HG2  ILE  36          3HG2      ILE  36   2.808 -10.949  -8.082
  242   1HD1  ILE  36          1HD1      ILE  36   0.129 -11.290  -7.525
  243   2HD1  ILE  36          2HD1      ILE  36   1.566 -11.551  -6.506
  244   3HD1  ILE  36          3HD1      ILE  36   0.057 -10.946  -5.780
  245    H    GLU  37           H        GLU  37   4.050 -11.654  -4.794
  246    HA   GLU  37           HA       GLU  37   1.729 -13.062  -4.163
  247   2HB   GLU  37          2HB       GLU  37   3.618 -14.694  -3.172
  248   2HG   GLU  37          2HG       GLU  37   3.852 -14.167  -6.130
  249    H    LYS  38           H        LYS  38   4.580 -12.447  -1.983
  250    HA   LYS  38           HA       LYS  38   3.225 -13.037   0.353
  251   2HB   LYS  38          2HB       LYS  38   5.663 -11.330  -0.196
  252   2HG   LYS  38          2HG       LYS  38   4.210 -11.108   2.109
  253   2HD   LYS  38          2HD       LYS  38   5.194 -13.777   2.187
  254   2HE   LYS  38          2HE       LYS  38   6.421 -13.058   4.592
  255   1HZ   LYS  38          1HZ       LYS  38   7.441 -14.700   3.462
  256   2HZ   LYS  38          2HZ       LYS  38   7.317 -13.979   2.001
  257   3HZ   LYS  38          3HZ       LYS  38   8.467 -13.496   3.055
  258    H    VAL  39           H        VAL  39   3.381 -10.049  -1.588
  259    HA   VAL  39           HA       VAL  39   2.227  -8.415   0.431
  260    HB   VAL  39           HB       VAL  39   2.352  -8.013  -2.564
  261   1HG1  VAL  39          1HG1      VAL  39   1.585  -5.927  -2.244
  262   2HG1  VAL  39          2HG1      VAL  39   1.034  -6.511  -0.655
  263   3HG1  VAL  39          3HG1      VAL  39   2.600  -5.677  -0.803
  264   1HG2  VAL  39          1HG2      VAL  39   4.495  -8.281  -0.723
  265   2HG2  VAL  39          2HG2      VAL  39   4.561  -7.754  -2.422
  266   3HG2  VAL  39          3HG2      VAL  39   4.367  -6.552  -1.124
  267    H    ALA  40           H        ALA  40   1.021 -10.425  -2.283
  268    HA   ALA  40           HA       ALA  40  -1.583  -9.474  -2.345
  269   1HB   ALA  40          1HB       ALA  40  -0.131 -11.971  -3.129
  270   2HB   ALA  40          2HB       ALA  40  -1.908 -12.048  -3.053
  271   3HB   ALA  40          3HB       ALA  40  -1.114 -10.862  -4.117
  272    H    GLU  41           H        GLU  41   0.000 -11.963  -0.269
  273    HA   GLU  41           HA       GLU  41  -2.409 -12.714   0.960
  274   2HB   GLU  41          2HB       GLU  41   0.482 -13.045   1.875
  275   2HG   GLU  41          2HG       GLU  41  -1.701 -14.946   2.660
  276    H    GLN  42           H        GLN  42   0.323 -10.527   1.904
  277    HA   GLN  42           HA       GLN  42  -0.730  -9.872   4.382
  278   2HB   GLN  42          2HB       GLN  42   0.800  -7.816   4.124
  279   2HG   GLN  42          2HG       GLN  42   2.878  -9.476   3.685
  280   1HE2  GLN  42          1HE2      GLN  42   0.968 -11.266   5.819
  281   2HE2  GLN  42          2HE2      GLN  42   1.387 -10.496   7.313
  282    H    VAL  43           H        VAL  43  -1.242  -8.539   1.093
  283    HA   VAL  43           HA       VAL  43  -2.625  -6.230   1.946
  284    HB   VAL  43           HB       VAL  43  -2.354  -7.757  -0.629
  285   1HG1  VAL  43          1HG1      VAL  43  -3.515  -5.399  -1.404
  286   2HG1  VAL  43          2HG1      VAL  43  -4.364  -6.957  -1.261
  287   3HG1  VAL  43          3HG1      VAL  43  -4.429  -5.782   0.075
  288   1HG2  VAL  43          1HG2      VAL  43  -1.657  -4.871  -0.297
  289   2HG2  VAL  43          2HG2      VAL  43  -0.630  -6.074   0.522
  290   3HG2  VAL  43          3HG2      VAL  43  -0.851  -6.146  -1.243
  291    H    MET  44           H        MET  44  -3.660  -9.526   0.862
  292    HA   MET  44           HA       MET  44  -6.357  -9.049   0.923
  293   2HB   MET  44          2HB       MET  44  -5.132 -11.682   1.850
  294   2HG   MET  44          2HG       MET  44  -6.942 -11.853  -0.400
  295   1HE   MET  44          1HE       MET  44  -7.176 -15.277   0.817
  296   2HE   MET  44          2HE       MET  44  -6.969 -14.078  -0.483
  297   3HE   MET  44          3HE       MET  44  -5.635 -14.403   0.650
  298    H    LYS  45           H        LYS  45  -4.081  -9.883   3.571
  299    HA   LYS  45           HA       LYS  45  -6.215 -10.208   5.465
  300   2HB   LYS  45          2HB       LYS  45  -4.163 -10.259   7.059
  301   2HG   LYS  45          2HG       LYS  45  -3.824 -12.451   5.083
  302   2HD   LYS  45          2HD       LYS  45  -5.043 -13.368   7.460
  303   2HE   LYS  45          2HE       LYS  45  -2.240 -13.413   7.878
  304   1HZ   LYS  45          1HZ       LYS  45  -2.506 -15.629   7.343
  305   2HZ   LYS  45          2HZ       LYS  45  -3.991 -15.209   7.875
  306   3HZ   LYS  45          3HZ       LYS  45  -3.711 -15.364   6.274
  307    H    ALA  46           H        ALA  46  -4.270  -7.613   4.138
  308    HA   ALA  46           HA       ALA  46  -4.626  -5.876   6.388
  309   1HB   ALA  46          1HB       ALA  46  -3.658  -5.476   3.532
  310   2HB   ALA  46          2HB       ALA  46  -3.681  -4.189   4.763
  311   3HB   ALA  46          3HB       ALA  46  -2.664  -5.632   5.001
  312    H    ASP  47           H        ASP  47  -6.040  -6.228   3.068
  313    HA   ASP  47           HA       ASP  47  -7.936  -4.176   3.672
  314   2HB   ASP  47          2HB       ASP  47  -8.112  -6.045   1.293
  315    H    ALA  48           H        ALA  48  -8.235  -6.168   5.579
  316    HA   ALA  48           HA       ALA  48 -10.362  -7.930   4.622
  317   1HB   ALA  48          1HB       ALA  48  -9.181  -7.994   7.393
  318   2HB   ALA  48          2HB       ALA  48  -9.818  -9.328   6.402
  319   3HB   ALA  48          3HB       ALA  48  -8.232  -8.615   6.021
  320    H    ASN  49           H        ASN  49 -11.936  -6.180   4.383
  321    HA   ASN  49           HA       ASN  49 -13.435  -5.878   6.725
  322   2HB   ASN  49          2HB       ASN  49 -12.460  -3.213   5.627
  323   1HD2  ASN  49          1HD2      ASN  49 -14.598  -2.575   6.095
  324   2HD2  ASN  49          2HD2      ASN  49 -15.140  -2.309   7.719
  325    H    GLY  50           H        GLY  50 -12.531  -4.651   3.450
  326   1HA   GLY  50          1HA       GLY  50 -15.243  -5.053   2.511
  327   2HA   GLY  50          2HA       GLY  50 -14.715  -3.381   2.539
  328    H    ASP  51           H        ASP  51 -12.889  -2.699   1.214
  329    HA   ASP  51           HA       ASP  51 -11.245  -4.181  -0.238
  330   2HB   ASP  51          2HB       ASP  51 -13.001  -3.732  -2.463
  331    H    GLY  52           H        GLY  52 -10.420  -1.961   0.441
  332   1HA   GLY  52          1HA       GLY  52 -11.127   0.099  -1.564
  333   2HA   GLY  52          2HA       GLY  52 -10.822   0.464   0.123
  334    H    TYR  53           H        TYR  53  -8.993   1.793  -0.212
  335    HA   TYR  53           HA       TYR  53  -6.614   0.311  -1.083
  336   2HB   TYR  53          2HB       TYR  53  -6.976   1.754  -2.941
  337    HD1  TYR  53           HD1      TYR  53  -8.617   2.936  -4.071
  338    HD2  TYR  53           HD2      TYR  53  -7.888   3.850   0.044
  339    HE1  TYR  53           HE1      TYR  53 -10.525   4.615  -4.099
  340    HE2  TYR  53           HE2      TYR  53  -9.800   5.526   0.003
  341    HH   TYR  53           HH       TYR  53 -11.942   5.777  -1.388
  342    H    ILE  54           H        ILE  54  -4.548   1.537  -0.384
  343    HA   ILE  54           HA       ILE  54  -5.002   2.415   2.365
  344    HB   ILE  54           HB       ILE  54  -3.057   0.768   1.024
  345   2HG1  ILE  54          2HG1      ILE  54  -3.975   1.332   3.821
  346   1HG2  ILE  54          1HG2      ILE  54  -1.532   2.541   0.888
  347   2HG2  ILE  54          2HG2      ILE  54  -2.014   3.201   2.469
  348   3HG2  ILE  54          3HG2      ILE  54  -1.090   1.683   2.384
  349   1HD1  ILE  54          1HD1      ILE  54  -3.538  -1.418   2.788
  350   2HD1  ILE  54          2HD1      ILE  54  -4.951  -0.725   3.618
  351   3HD1  ILE  54          3HD1      ILE  54  -4.731  -0.467   1.870
  352    H    THR  55           H        THR  55  -5.401   4.581   2.436
  353    HA   THR  55           HA       THR  55  -3.846   6.312   0.665
  354    HB   THR  55           HB       THR  55  -5.625   7.841   0.956
  355    HG1  THR  55           HG1      THR  55  -6.209   6.299   3.384
  356   1HG2  THR  55          1HG2      THR  55  -7.510   6.635   0.410
  357   2HG2  THR  55          2HG2      THR  55  -6.432   5.219   0.467
  358   3HG2  THR  55          3HG2      THR  55  -7.407   5.653   1.891
  359    H    LEU  56           H        LEU  56  -2.276   7.692   1.319
  360    HA   LEU  56           HA       LEU  56  -0.769   7.232   3.472
  361   2HB   LEU  56          2HB       LEU  56   0.161   8.681   1.990
  362    HG   LEU  56           HG       LEU  56  -2.493   9.778   1.637
  363   1HD1  LEU  56          1HD1      LEU  56  -0.283  11.837   1.887
  364   2HD1  LEU  56          2HD1      LEU  56  -1.959  12.123   1.362
  365   3HD1  LEU  56          3HD1      LEU  56  -1.625  11.621   3.037
  366   1HD2  LEU  56          1HD2      LEU  56  -1.474  10.555  -0.512
  367   2HD2  LEU  56          2HD2      LEU  56   0.091   9.930   0.066
  368   3HD2  LEU  56          3HD2      LEU  56  -1.277   8.817  -0.182
  369    H    GLU  57           H        GLU  57  -3.649   9.419   3.374
  370    HA   GLU  57           HA       GLU  57  -3.434  10.366   5.928
  371   2HB   GLU  57          2HB       GLU  57  -5.015  11.339   4.391
  372   2HG   GLU  57          2HG       GLU  57  -6.469   8.651   4.470
  373    H    GLU  58           H        GLU  58  -5.052   7.369   4.707
  374    HA   GLU  58           HA       GLU  58  -5.916   6.654   7.307
  375   2HB   GLU  58          2HB       GLU  58  -5.729   4.949   4.784
  376   2HG   GLU  58          2HG       GLU  58  -7.115   4.646   7.464
  377    H    PHE  59           H        PHE  59  -3.174   5.816   5.140
  378    HA   PHE  59           HA       PHE  59  -2.176   3.637   6.452
  379   2HB   PHE  59          2HB       PHE  59  -0.262   5.792   5.570
  380    HD1  PHE  59           HD1      PHE  59  -1.710   2.423   4.989
  381    HD2  PHE  59           HD2      PHE  59   1.688   4.934   4.593
  382    HE1  PHE  59           HE1      PHE  59  -0.328   0.444   4.301
  383    HE2  PHE  59           HE2      PHE  59   3.070   2.955   3.904
  384    HZ   PHE  59           HZ       PHE  59   2.046   0.734   3.767
  385    H    LEU  60           H        LEU  60  -1.694   7.142   7.191
  386    HA   LEU  60           HA       LEU  60   0.057   6.513   9.380
  387   2HB   LEU  60          2HB       LEU  60   0.106   8.918   9.719
  388    HG   LEU  60           HG       LEU  60   0.633   7.794   7.042
  389   1HD1  LEU  60          1HD1      LEU  60  -0.736   9.868   6.563
  390   2HD1  LEU  60          2HD1      LEU  60   0.581  10.803   7.311
  391   3HD1  LEU  60          3HD1      LEU  60   0.897   9.824   5.858
  392   1HD2  LEU  60          1HD2      LEU  60   2.484   7.767   8.416
  393   2HD2  LEU  60          2HD2      LEU  60   2.746   9.265   7.491
  394   3HD2  LEU  60          3HD2      LEU  60   2.102   9.344   9.148
  395    H    GLU  61           H        GLU  61  -3.224   8.049   9.048
  396    HA   GLU  61           HA       GLU  61  -3.811   8.253  11.661
  397   2HB   GLU  61          2HB       GLU  61  -5.835   7.311   9.593
  398   2HG   GLU  61          2HG       GLU  61  -6.203   7.958  12.235
  399    H    PHE  62           H        PHE  62  -3.877   5.314   9.615
  400    HA   PHE  62           HA       PHE  62  -5.244   3.694  11.456
  401   2HB   PHE  62          2HB       PHE  62  -3.229   3.239   9.183
  402    HD1  PHE  62           HD1      PHE  62  -6.110   1.323  10.585
  403    HD2  PHE  62           HD2      PHE  62  -2.027   1.278   9.424
  404    HE1  PHE  62           HE1      PHE  62  -6.012  -1.146  11.022
  405    HE2  PHE  62           HE2      PHE  62  -1.930  -1.192   9.862
  406    HZ   PHE  62           HZ       PHE  62  -3.924  -2.375  10.655
  407    H    SER  63           H        SER  63  -1.841   4.685  11.093
  408    HA   SER  63           HA       SER  63  -0.922   2.648  12.853
  409   2HB   SER  63          2HB       SER  63   1.265   3.701  12.591
  410    HG   SER  63           HG       SER  63   1.474   3.516  10.382
  411    H    LEU  64           H        LEU  64  -1.891   6.087  13.015
  412    HA   LEU  64           HA       LEU  64  -0.812   6.706  15.497
  413   2HB   LEU  64          2HB       LEU  64  -3.279   7.731  14.088
  414    HG   LEU  64           HG       LEU  64  -2.206   8.464  16.692
  415   1HD1  LEU  64          1HD1      LEU  64  -0.986  10.242  16.064
  416   2HD1  LEU  64          2HD1      LEU  64  -1.744  10.333  14.455
  417   3HD1  LEU  64          3HD1      LEU  64  -2.571  11.028  15.871
  418   1HD2  LEU  64          1HD2      LEU  64  -4.627   9.197  15.044
  419   2HD2  LEU  64          2HD2      LEU  64  -4.528   8.148  16.478
  420   3HD2  LEU  64          3HD2      LEU  64  -4.307   9.906  16.645
  Start of MODEL    8
    1   1H    SER   1          HT1       SER   1   5.409  11.612   9.044
    2    HA   SER   1           HA       SER   1   5.957  10.828  11.044
    3   2HB   SER   1          2HB       SER   1   3.504   9.231  10.223
    4    HG   SER   1           HG       SER   1   4.276   9.685  12.954
    5    H    ASP   2           H        ASP   2   7.732   9.645  11.646
    6    HA   ASP   2           HA       ASP   2   8.849   7.656  10.298
    7   2HB   ASP   2          2HB       ASP   2   9.551   6.844  12.779
    8    H    ASP   3           H        ASP   3   5.995   7.522  12.398
    9    HA   ASP   3           HA       ASP   3   5.865   5.017  13.258
   10   2HB   ASP   3          2HB       ASP   3   3.303   5.238  12.456
   11    H    LYS   4           H        LYS   4   5.356   6.224   9.901
   12    HA   LYS   4           HA       LYS   4   5.905   3.634   8.839
   13   2HB   LYS   4          2HB       LYS   4   3.491   4.131   7.536
   14   2HG   LYS   4          2HG       LYS   4   2.747   2.077   8.782
   15   2HD   LYS   4          2HD       LYS   4   5.397   2.324   7.412
   16   2HE   LYS   4          2HE       LYS   4   5.752   0.754   9.436
   17   1HZ   LYS   4          1HZ       LYS   4   3.764  -0.406   9.512
   18   2HZ   LYS   4          2HZ       LYS   4   3.732  -0.712   7.909
   19   3HZ   LYS   4          3HZ       LYS   4   4.803  -1.488   8.866
   20    H    ILE   5           H        ILE   5   7.016   6.367   8.856
   21    HA   ILE   5           HA       ILE   5   6.355   7.698   6.483
   22    HB   ILE   5           HB       ILE   5   7.804   8.277   8.669
   23   2HG1  ILE   5          2HG1      ILE   5   8.012  10.378   7.771
   24   1HG2  ILE   5          1HG2      ILE   5   9.695   6.875   8.047
   25   2HG2  ILE   5          2HG2      ILE   5   9.854   7.743   6.501
   26   3HG2  ILE   5          3HG2      ILE   5  10.155   8.594   8.035
   27   1HD1  ILE   5          1HD1      ILE   5   8.678   8.990   5.141
   28   2HD1  ILE   5          2HD1      ILE   5   8.370  10.739   5.264
   29   3HD1  ILE   5          3HD1      ILE   5   9.745  10.014   6.131
   30    H    GLY   6           H        GLY   6   8.356   4.873   7.207
   31   1HA   GLY   6          1HA       GLY   6   9.905   4.910   4.829
   32   2HA   GLY   6          2HA       GLY   6   9.640   3.555   5.906
   33    H    LEU   7           H        LEU   7   7.328   2.536   5.785
   34    HA   LEU   7           HA       LEU   7   6.942   1.562   3.237
   35   2HB   LEU   7          2HB       LEU   7   4.507   1.460   4.750
   36    HG   LEU   7           HG       LEU   7   5.403  -0.364   3.280
   37   1HD1  LEU   7          1HD1      LEU   7   7.551  -0.902   3.567
   38   2HD1  LEU   7          2HD1      LEU   7   7.600  -0.225   5.212
   39   3HD1  LEU   7          3HD1      LEU   7   6.989  -1.876   4.947
   40   1HD2  LEU   7          1HD2      LEU   7   4.238  -0.638   5.957
   41   2HD2  LEU   7          2HD2      LEU   7   3.739  -1.347   4.403
   42   3HD2  LEU   7          3HD2      LEU   7   5.026  -2.118   5.360
   43    H    LYS   8           H        LYS   8   5.469   4.374   4.912
   44    HA   LYS   8           HA       LYS   8   3.481   4.876   3.023
   45   2HB   LYS   8          2HB       LYS   8   4.946   6.738   4.914
   46   2HG   LYS   8          2HG       LYS   8   2.657   7.983   4.656
   47   2HD   LYS   8          2HD       LYS   8   3.840   8.556   2.100
   48   2HE   LYS   8          2HE       LYS   8   4.869  10.064   4.429
   49   1HZ   LYS   8          1HZ       LYS   8   3.290  11.651   3.066
   50   2HZ   LYS   8          2HZ       LYS   8   4.814  11.313   2.586
   51   3HZ   LYS   8          3HZ       LYS   8   3.552  10.528   1.910
   52    H    VAL   9           H        VAL   9   6.891   6.061   3.291
   53    HA   VAL   9           HA       VAL   9   6.862   7.779   1.147
   54    HB   VAL   9           HB       VAL   9   8.924   6.113   2.527
   55   1HG1  VAL   9          1HG1      VAL   9   9.346   7.636  -0.057
   56   2HG1  VAL   9          2HG1      VAL   9  10.667   7.279   1.081
   57   3HG1  VAL   9          3HG1      VAL   9   9.767   5.948   0.315
   58   1HG2  VAL   9          1HG2      VAL   9   9.625   8.108   3.450
   59   2HG2  VAL   9          2HG2      VAL   9   9.072   9.075   2.061
   60   3HG2  VAL   9          3HG2      VAL   9   7.890   8.438   3.230
   61    H    LEU  10           H        LEU  10   7.724   4.248   1.179
   62    HA   LEU  10           HA       LEU  10   8.145   4.037  -1.550
   63   2HB   LEU  10          2HB       LEU  10   7.415   1.571  -1.013
   64    HG   LEU  10           HG       LEU  10   9.859   2.827  -0.892
   65   1HD1  LEU  10          1HD1      LEU  10   9.202   1.732   1.835
   66   2HD1  LEU  10          2HD1      LEU  10  10.873   1.745   1.220
   67   3HD1  LEU  10          3HD1      LEU  10   9.975   3.273   1.391
   68   1HD2  LEU  10          1HD2      LEU  10   9.131   0.540  -1.789
   69   2HD2  LEU  10          2HD2      LEU  10  10.784   0.692  -1.148
   70   3HD2  LEU  10          3HD2      LEU  10   9.517  -0.079  -0.166
   71    H    TYR  11           H        TYR  11   5.179   2.991   0.281
   72    HA   TYR  11           HA       TYR  11   3.565   2.429  -1.801
   73   2HB   TYR  11          2HB       TYR  11   3.390   3.494   0.989
   74    HD1  TYR  11           HD1      TYR  11   1.105   3.529  -1.972
   75    HD2  TYR  11           HD2      TYR  11   1.723   4.730   2.087
   76    HE1  TYR  11           HE1      TYR  11  -0.997   4.956  -2.067
   77    HE2  TYR  11           HE2      TYR  11  -0.382   6.153   1.979
   78    HH   TYR  11           HH       TYR  11  -1.659   7.298  -0.385
   79    H    LYS  12           H        LYS  12   4.048   5.721  -0.346
   80    HA   LYS  12           HA       LYS  12   2.283   7.026  -2.058
   81   2HB   LYS  12          2HB       LYS  12   4.512   7.814  -0.236
   82   2HG   LYS  12          2HG       LYS  12   3.935  10.247  -0.925
   83   2HD   LYS  12          2HD       LYS  12   5.371   9.180  -3.272
   84   2HE   LYS  12          2HE       LYS  12   6.453  10.686  -0.852
   85   1HZ   LYS  12          1HZ       LYS  12   8.018   9.935  -2.505
   86   2HZ   LYS  12          2HZ       LYS  12   7.175  10.660  -3.701
   87   3HZ   LYS  12          3HZ       LYS  12   7.898  11.563  -2.548
   88    H    LEU  13           H        LEU  13   5.669   5.977  -2.438
   89    HA   LEU  13           HA       LEU  13   6.117   7.526  -4.777
   90   2HB   LEU  13          2HB       LEU  13   7.671   5.054  -4.218
   91    HG   LEU  13           HG       LEU  13   9.588   6.356  -4.675
   92   1HD1  LEU  13          1HD1      LEU  13   8.780   5.814  -6.749
   93   2HD1  LEU  13          2HD1      LEU  13   7.294   6.774  -6.551
   94   3HD1  LEU  13          3HD1      LEU  13   8.843   7.588  -6.881
   95   1HD2  LEU  13          1HD2      LEU  13   9.501   8.816  -5.044
   96   2HD2  LEU  13          2HD2      LEU  13   7.814   8.802  -4.475
   97   3HD2  LEU  13          3HD2      LEU  13   9.128   8.323  -3.374
   98    H    MET  14           H        MET  14   5.929   3.916  -4.391
   99    HA   MET  14           HA       MET  14   5.612   3.351  -7.010
  100   2HB   MET  14          2HB       MET  14   5.940   1.639  -5.254
  101   2HG   MET  14          2HG       MET  14   3.040   2.141  -4.438
  102   1HE   MET  14          1HE       MET  14   6.588  -0.130  -3.567
  103   2HE   MET  14          2HE       MET  14   6.383   1.565  -3.065
  104   3HE   MET  14          3HE       MET  14   6.184   0.254  -1.877
  105    H    ASP  15           H        ASP  15   3.056   4.227  -4.615
  106    HA   ASP  15           HA       ASP  15   0.823   3.649  -5.892
  107   2HB   ASP  15          2HB       ASP  15   1.585   6.237  -4.478
  108    H    VAL  16           H        VAL  16   0.779   3.746  -8.196
  109    HA   VAL  16           HA       VAL  16   1.277   6.394  -9.366
  110    HB   VAL  16           HB       VAL  16   1.595   3.588 -10.416
  111   1HG1  VAL  16          1HG1      VAL  16   1.631   6.154 -12.041
  112   2HG1  VAL  16          2HG1      VAL  16   2.070   4.534 -12.632
  113   3HG1  VAL  16          3HG1      VAL  16   0.396   4.875 -12.129
  114   1HG2  VAL  16          1HG2      VAL  16   3.366   5.660  -9.428
  115   2HG2  VAL  16          2HG2      VAL  16   3.720   3.965  -9.843
  116   3HG2  VAL  16          3HG2      VAL  16   3.779   5.221 -11.103
  117    H    ASP  17           H        ASP  17  -0.627   3.404 -10.181
  118    HA   ASP  17           HA       ASP  17  -2.514   4.579 -11.661
  119   2HB   ASP  17          2HB       ASP  17  -2.384   2.177  -9.910
  120    H    GLY  18           H        GLY  18  -2.823   3.820  -8.099
  121   1HA   GLY  18          1HA       GLY  18  -5.203   5.176  -7.637
  122   2HA   GLY  18          2HA       GLY  18  -3.973   4.811  -6.443
  123    H    ASP  19           H        ASP  19  -1.806   6.341  -7.782
  124    HA   ASP  19           HA       ASP  19  -0.917   8.314  -7.569
  125   2HB   ASP  19          2HB       ASP  19  -1.665   9.604  -9.276
  126    H    GLY  20           H        GLY  20  -2.707   7.265  -5.316
  127   1HA   GLY  20          1HA       GLY  20  -2.569   9.502  -3.598
  128   2HA   GLY  20          2HA       GLY  20  -4.222   9.282  -4.134
  129    H    LYS  21           H        LYS  21  -4.980   6.821  -4.088
  130    HA   LYS  21           HA       LYS  21  -4.283   5.875  -1.417
  131   2HB   LYS  21          2HB       LYS  21  -6.634   6.347  -1.814
  132   2HG   LYS  21          2HG       LYS  21  -7.161   4.088  -3.609
  133   2HD   LYS  21          2HD       LYS  21  -8.357   6.516  -2.883
  134   2HE   LYS  21          2HE       LYS  21  -7.899   6.673  -5.872
  135   1HZ   LYS  21          1HZ       LYS  21  -9.421   8.199  -5.360
  136   2HZ   LYS  21          2HZ       LYS  21  -9.029   8.271  -3.776
  137   3HZ   LYS  21          3HZ       LYS  21  -8.151   9.104  -4.873
  138    H    LEU  22           H        LEU  22  -3.822   3.610  -1.035
  139    HA   LEU  22           HA       LEU  22  -2.446   2.449  -3.329
  140   2HB   LEU  22          2HB       LEU  22  -2.269   1.338  -0.567
  141    HG   LEU  22           HG       LEU  22  -0.859   0.228  -2.128
  142   1HD1  LEU  22          1HD1      LEU  22  -0.635   1.428  -4.047
  143   2HD1  LEU  22          2HD1      LEU  22  -0.380   2.969  -3.194
  144   3HD1  LEU  22          3HD1      LEU  22   0.945   1.786  -3.310
  145   1HD2  LEU  22          1HD2      LEU  22   0.262   1.883  -0.025
  146   2HD2  LEU  22          2HD2      LEU  22   0.634   0.204  -0.482
  147   3HD2  LEU  22          3HD2      LEU  22   1.454   1.552  -1.305
  148    H    THR  23           H        THR  23  -4.110   1.537  -4.559
  149    HA   THR  23           HA       THR  23  -5.944  -0.270  -3.184
  150    HB   THR  23           HB       THR  23  -7.322   0.082  -5.050
  151    HG1  THR  23           HG1      THR  23  -6.373   0.017  -7.102
  152   1HG2  THR  23          1HG2      THR  23  -5.719   2.410  -5.959
  153   2HG2  THR  23          2HG2      THR  23  -7.394   2.361  -5.354
  154   3HG2  THR  23          3HG2      THR  23  -6.033   2.412  -4.207
  155    H    LYS  24           H        LYS  24  -6.382  -2.435  -4.169
  156    HA   LYS  24           HA       LYS  24  -4.073  -3.953  -4.131
  157   2HB   LYS  24          2HB       LYS  24  -6.698  -4.726  -5.431
  158   2HG   LYS  24          2HG       LYS  24  -5.812  -6.865  -3.984
  159   2HD   LYS  24          2HD       LYS  24  -4.431  -6.802  -6.575
  160   2HE   LYS  24          2HE       LYS  24  -6.596  -8.358  -5.180
  161   1HZ   LYS  24          1HZ       LYS  24  -6.272  -8.122  -8.072
  162   2HZ   LYS  24          2HZ       LYS  24  -6.769  -9.531  -7.412
  163   3HZ   LYS  24          3HZ       LYS  24  -7.651  -8.173  -7.198
  164    H    GLU  25           H        GLU  25  -6.184  -3.365  -7.036
  165    HA   GLU  25           HA       GLU  25  -4.630  -4.395  -8.911
  166   2HB   GLU  25          2HB       GLU  25  -5.891  -1.663  -9.332
  167   2HG   GLU  25          2HG       GLU  25  -6.083  -4.135 -11.085
  168    H    GLU  26           H        GLU  26  -4.259  -1.061  -7.537
  169    HA   GLU  26           HA       GLU  26  -2.125  -0.360  -9.155
  170   2HB   GLU  26          2HB       GLU  26  -3.331   0.633  -6.601
  171   2HG   GLU  26          2HG       GLU  26  -0.510   1.275  -7.540
  172    H    VAL  27           H        VAL  27  -2.301  -1.989  -5.946
  173    HA   VAL  27           HA       VAL  27   0.472  -1.952  -5.473
  174    HB   VAL  27           HB       VAL  27  -1.955  -3.179  -4.348
  175   1HG1  VAL  27          1HG1      VAL  27  -0.298  -4.637  -2.870
  176   2HG1  VAL  27          2HG1      VAL  27  -1.004  -5.268  -4.377
  177   3HG1  VAL  27          3HG1      VAL  27   0.660  -4.637  -4.371
  178   1HG2  VAL  27          1HG2      VAL  27  -1.401  -1.555  -2.908
  179   2HG2  VAL  27          2HG2      VAL  27  -0.132  -2.654  -2.318
  180   3HG2  VAL  27          3HG2      VAL  27   0.252  -1.433  -3.554
  181    H    THR  28           H        THR  28  -1.600  -4.833  -6.264
  182    HA   THR  28           HA       THR  28   0.391  -6.551  -6.937
  183    HB   THR  28           HB       THR  28  -2.397  -6.184  -8.152
  184    HG1  THR  28           HG1      THR  28  -1.233  -7.913  -6.086
  185   1HG2  THR  28          1HG2      THR  28  -0.523  -7.886  -9.196
  186   2HG2  THR  28          2HG2      THR  28  -1.106  -8.876  -7.837
  187   3HG2  THR  28          3HG2      THR  28  -2.248  -8.311  -9.079
  188    H    SER  29           H        SER  29  -0.804  -3.798  -8.836
  189    HA   SER  29           HA       SER  29   0.326  -4.614 -11.246
  190   2HB   SER  29          2HB       SER  29  -0.503  -1.925 -10.109
  191    HG   SER  29           HG       SER  29   0.155  -0.895 -11.905
  192    H    PHE  30           H        PHE  30   1.469  -2.241  -8.728
  193    HA   PHE  30           HA       PHE  30   4.013  -1.985  -9.984
  194   2HB   PHE  30          2HB       PHE  30   3.325  -1.340  -7.079
  195    HD1  PHE  30           HD1      PHE  30   3.671   1.272  -9.552
  196    HD2  PHE  30           HD2      PHE  30   5.804  -1.202  -6.844
  197    HE1  PHE  30           HE1      PHE  30   5.641   2.821  -9.688
  198    HE2  PHE  30           HE2      PHE  30   7.775   0.347  -6.980
  199    HZ   PHE  30           HZ       PHE  30   7.670   2.340  -8.401
  200    H    PHE  31           H        PHE  31   2.601  -3.945  -7.348
  201    HA   PHE  31           HA       PHE  31   5.166  -4.821  -6.423
  202   2HB   PHE  31          2HB       PHE  31   3.388  -6.534  -5.312
  203    HD1  PHE  31           HD1      PHE  31   1.957  -3.197  -5.008
  204    HD2  PHE  31           HD2      PHE  31   4.913  -5.854  -3.520
  205    HE1  PHE  31           HE1      PHE  31   2.254  -1.736  -2.988
  206    HE2  PHE  31           HE2      PHE  31   5.209  -4.393  -1.500
  207    HZ   PHE  31           HZ       PHE  31   3.877  -2.352  -1.258
  208    H    LYS  32           H        LYS  32   2.948  -5.700  -8.969
  209    HA   LYS  32           HA       LYS  32   3.096  -8.366  -9.200
  210   2HB   LYS  32          2HB       LYS  32   3.616  -7.330 -11.798
  211   2HG   LYS  32          2HG       LYS  32   1.226  -8.248 -10.187
  212   2HD   LYS  32          2HD       LYS  32   1.182  -6.577 -12.657
  213   2HE   LYS  32          2HE       LYS  32   0.529  -9.284 -12.990
  214   1HZ   LYS  32          1HZ       LYS  32  -1.971  -8.813 -13.355
  215   2HZ   LYS  32          2HZ       LYS  32  -1.441  -9.307 -11.892
  216   3HZ   LYS  32          3HZ       LYS  32  -1.775  -7.729 -12.149
  217    H    LYS  33           H        LYS  33   5.762  -6.055  -9.484
  218    HA   LYS  33           HA       LYS  33   7.518  -8.147 -10.486
  219   2HB   LYS  33          2HB       LYS  33   8.682  -5.523  -9.848
  220   2HG   LYS  33          2HG       LYS  33   8.529  -6.509 -12.641
  221   2HD   LYS  33          2HD       LYS  33  10.596  -5.527 -10.675
  222   2HE   LYS  33          2HE       LYS  33  11.067  -7.486 -12.892
  223   1HZ   LYS  33          1HZ       LYS  33  12.884  -5.232 -12.396
  224   2HZ   LYS  33          2HZ       LYS  33  13.124  -6.466 -13.437
  225   3HZ   LYS  33          3HZ       LYS  33  11.944  -5.374 -13.724
  226    H    HIS  34           H        HIS  34   6.919  -6.093  -7.592
  227    HA   HIS  34           HA       HIS  34   9.162  -7.018  -6.184
  228   2HB   HIS  34          2HB       HIS  34   8.016  -6.045  -4.219
  229    HD1  HIS  34           HD1      HIS  34   8.483  -3.562  -3.816
  230    HD2  HIS  34           HD2      HIS  34   8.138  -4.547  -7.879
  231    HE1  HIS  34           HE1      HIS  34   9.238  -1.502  -5.118
  232    H    GLY  35           H        GLY  35   6.797  -7.506  -3.927
  233   1HA   GLY  35          1HA       GLY  35   6.898 -10.430  -4.326
  234   2HA   GLY  35          2HA       GLY  35   6.793  -9.603  -2.784
  235    H    ILE  36           H        ILE  36   4.962  -8.970  -5.846
  236    HA   ILE  36           HA       ILE  36   2.585  -8.351  -4.849
  237    HB   ILE  36           HB       ILE  36   3.148  -8.406  -7.216
  238   2HG1  ILE  36          2HG1      ILE  36   0.984  -8.617  -7.951
  239   1HG2  ILE  36          1HG2      ILE  36   4.306 -10.416  -7.553
  240   2HG2  ILE  36          2HG2      ILE  36   2.999 -11.397  -6.848
  241   3HG2  ILE  36          3HG2      ILE  36   2.774 -10.624  -8.436
  242   1HD1  ILE  36          1HD1      ILE  36   1.039 -11.185  -6.400
  243   2HD1  ILE  36          2HD1      ILE  36  -0.538 -10.380  -6.579
  244   3HD1  ILE  36          3HD1      ILE  36   0.388 -10.851  -8.023
  245    H    GLU  37           H        GLU  37   4.043 -11.605  -4.857
  246    HA   GLU  37           HA       GLU  37   1.704 -12.963  -4.190
  247   2HB   GLU  37          2HB       GLU  37   3.802 -14.444  -3.080
  248   2HG   GLU  37          2HG       GLU  37   2.913 -14.329  -6.001
  249    H    LYS  38           H        LYS  38   4.574 -12.350  -2.033
  250    HA   LYS  38           HA       LYS  38   3.207 -12.879   0.317
  251   2HB   LYS  38          2HB       LYS  38   5.716 -11.321  -0.312
  252   2HG   LYS  38          2HG       LYS  38   4.464 -10.583   1.865
  253   2HD   LYS  38          2HD       LYS  38   5.324 -13.429   2.525
  254   2HE   LYS  38          2HE       LYS  38   5.455 -11.023   4.213
  255   1HZ   LYS  38          1HZ       LYS  38   4.403 -12.799   5.947
  256   2HZ   LYS  38          2HZ       LYS  38   3.660 -11.450   5.406
  257   3HZ   LYS  38          3HZ       LYS  38   3.372 -12.885   4.684
  258    H    VAL  39           H        VAL  39   3.450  -9.929  -1.673
  259    HA   VAL  39           HA       VAL  39   2.386  -8.206   0.308
  260    HB   VAL  39           HB       VAL  39   2.515  -7.975  -2.706
  261   1HG1  VAL  39          1HG1      VAL  39   2.628  -5.421  -1.711
  262   2HG1  VAL  39          2HG1      VAL  39   1.167  -6.204  -2.359
  263   3HG1  VAL  39          3HG1      VAL  39   1.465  -6.192  -0.605
  264   1HG2  VAL  39          1HG2      VAL  39   4.398  -6.298  -1.365
  265   2HG2  VAL  39          2HG2      VAL  39   4.575  -7.948  -0.721
  266   3HG2  VAL  39          3HG2      VAL  39   4.709  -7.657  -2.473
  267    H    ALA  40           H        ALA  40   1.008 -10.107  -2.436
  268    HA   ALA  40           HA       ALA  40  -1.565  -9.130  -2.335
  269   1HB   ALA  40          1HB       ALA  40  -1.025 -10.504  -4.154
  270   2HB   ALA  40          2HB       ALA  40  -0.309 -11.762  -3.120
  271   3HB   ALA  40          3HB       ALA  40  -2.076 -11.556  -3.176
  272    H    GLU  41           H        GLU  41   0.086 -11.601  -0.314
  273    HA   GLU  41           HA       GLU  41  -2.284 -12.389   0.978
  274   2HB   GLU  41          2HB       GLU  41   0.503 -12.664   2.150
  275   2HG   GLU  41          2HG       GLU  41  -2.131 -14.135   2.294
  276    H    GLN  42           H        GLN  42   0.430 -10.141   1.811
  277    HA   GLN  42           HA       GLN  42  -0.547  -9.503   4.330
  278   2HB   GLN  42          2HB       GLN  42   0.868  -7.259   3.588
  279   2HG   GLN  42          2HG       GLN  42   2.921  -8.632   4.335
  280   1HE2  GLN  42          1HE2      GLN  42   3.144  -7.395   6.039
  281   2HE2  GLN  42          2HE2      GLN  42   2.086  -7.298   7.407
  282    H    VAL  43           H        VAL  43  -0.932  -7.890   1.105
  283    HA   VAL  43           HA       VAL  43  -2.466  -5.753   2.059
  284    HB   VAL  43           HB       VAL  43  -2.946  -5.334  -0.237
  285   1HG1  VAL  43          1HG1      VAL  43  -0.458  -6.133  -1.144
  286   2HG1  VAL  43          2HG1      VAL  43  -0.810  -4.643  -0.233
  287   3HG1  VAL  43          3HG1      VAL  43  -0.247  -6.098   0.623
  288   1HG2  VAL  43          1HG2      VAL  43  -2.203  -8.235  -0.682
  289   2HG2  VAL  43          2HG2      VAL  43  -3.737  -7.414  -1.059
  290   3HG2  VAL  43          3HG2      VAL  43  -2.274  -7.044  -2.002
  291    H    MET  44           H        MET  44  -3.251  -9.104   1.093
  292    HA   MET  44           HA       MET  44  -5.985  -8.751   0.860
  293   2HB   MET  44          2HB       MET  44  -5.650 -11.360   1.805
  294   2HG   MET  44          2HG       MET  44  -4.935 -10.383  -1.002
  295   1HE   MET  44          1HE       MET  44  -3.732 -11.762  -2.076
  296   2HE   MET  44          2HE       MET  44  -3.807 -13.535  -2.222
  297   3HE   MET  44          3HE       MET  44  -5.020 -12.522  -3.043
  298    H    LYS  45           H        LYS  45  -3.903  -9.560   3.697
  299    HA   LYS  45           HA       LYS  45  -6.175  -9.812   5.427
  300   2HB   LYS  45          2HB       LYS  45  -4.363  -9.978   7.188
  301   2HG   LYS  45          2HG       LYS  45  -4.128 -11.819   4.760
  302   2HD   LYS  45          2HD       LYS  45  -3.119 -11.922   7.584
  303   2HE   LYS  45          2HE       LYS  45  -3.220 -14.614   6.784
  304   1HZ   LYS  45          1HZ       LYS  45  -4.163 -12.993   8.864
  305   2HZ   LYS  45          2HZ       LYS  45  -5.275 -14.142   8.530
  306   3HZ   LYS  45          3HZ       LYS  45  -3.746 -14.572   8.906
  307    H    ALA  46           H        ALA  46  -4.210  -7.242   4.145
  308    HA   ALA  46           HA       ALA  46  -4.621  -5.466   6.355
  309   1HB   ALA  46          1HB       ALA  46  -3.888  -4.566   3.579
  310   2HB   ALA  46          2HB       ALA  46  -3.273  -4.008   5.153
  311   3HB   ALA  46          3HB       ALA  46  -2.738  -5.571   4.493
  312    H    ASP  47           H        ASP  47  -5.923  -5.806   2.982
  313    HA   ASP  47           HA       ASP  47  -7.868  -3.796   3.539
  314   2HB   ASP  47          2HB       ASP  47  -7.927  -5.680   1.162
  315    H    ALA  48           H        ALA  48  -8.278  -5.684   5.468
  316    HA   ALA  48           HA       ALA  48 -10.167  -7.663   4.502
  317   1HB   ALA  48          1HB       ALA  48  -8.317  -7.419   6.669
  318   2HB   ALA  48          2HB       ALA  48  -9.949  -7.561   7.367
  319   3HB   ALA  48          3HB       ALA  48  -9.346  -8.809   6.250
  320    H    ASN  49           H        ASN  49 -11.119  -5.154   3.885
  321    HA   ASN  49           HA       ASN  49 -13.094  -4.733   5.989
  322   2HB   ASN  49          2HB       ASN  49 -12.548  -2.636   3.876
  323   1HD2  ASN  49          1HD2      ASN  49 -11.744  -0.856   6.048
  324   2HD2  ASN  49          2HD2      ASN  49 -13.169  -0.469   6.954
  325    H    GLY  50           H        GLY  50 -12.340  -4.891   2.463
  326   1HA   GLY  50          1HA       GLY  50 -14.645  -6.230   1.715
  327   2HA   GLY  50          2HA       GLY  50 -15.000  -4.523   1.540
  328    H    ASP  51           H        ASP  51 -12.849  -3.274   0.567
  329    HA   ASP  51           HA       ASP  51 -11.137  -4.487  -1.094
  330   2HB   ASP  51          2HB       ASP  51 -12.775  -5.527  -2.458
  331    H    GLY  52           H        GLY  52 -10.549  -2.355   0.179
  332   1HA   GLY  52          1HA       GLY  52 -11.236   0.029  -1.428
  333   2HA   GLY  52          2HA       GLY  52 -10.819   0.034   0.274
  334    H    TYR  53           H        TYR  53  -8.994   1.384   0.162
  335    HA   TYR  53           HA       TYR  53  -6.646   0.107  -0.997
  336   2HB   TYR  53          2HB       TYR  53  -7.094   1.603  -2.789
  337    HD1  TYR  53           HD1      TYR  53  -7.853   3.780   0.185
  338    HD2  TYR  53           HD2      TYR  53  -8.990   2.520  -3.743
  339    HE1  TYR  53           HE1      TYR  53  -9.836   5.371   0.240
  340    HE2  TYR  53           HE2      TYR  53 -10.969   4.116  -3.674
  341    HH   TYR  53           HH       TYR  53 -11.356   6.393  -1.032
  342    H    ILE  54           H        ILE  54  -4.596   1.326  -0.297
  343    HA   ILE  54           HA       ILE  54  -5.005   2.141   2.479
  344    HB   ILE  54           HB       ILE  54  -3.064   0.541   1.063
  345   2HG1  ILE  54          2HG1      ILE  54  -3.973   0.991   3.886
  346   1HG2  ILE  54          1HG2      ILE  54  -1.105   1.419   2.468
  347   2HG2  ILE  54          2HG2      ILE  54  -1.545   2.318   0.996
  348   3HG2  ILE  54          3HG2      ILE  54  -2.041   2.929   2.592
  349   1HD1  ILE  54          1HD1      ILE  54  -4.664  -1.272   3.728
  350   2HD1  ILE  54          2HD1      ILE  54  -5.025  -0.613   2.114
  351   3HD1  ILE  54          3HD1      ILE  54  -3.569  -1.605   2.365
  352    H    THR  55           H        THR  55  -5.439   4.307   2.557
  353    HA   THR  55           HA       THR  55  -3.863   6.065   0.830
  354    HB   THR  55           HB       THR  55  -5.626   7.668   1.264
  355    HG1  THR  55           HG1      THR  55  -6.577   5.712   3.223
  356   1HG2  THR  55          1HG2      THR  55  -7.594   5.549   1.515
  357   2HG2  THR  55          2HG2      THR  55  -7.203   6.520   0.076
  358   3HG2  THR  55          3HG2      THR  55  -6.315   5.012   0.400
  359    H    LEU  56           H        LEU  56  -2.546   7.724   1.594
  360    HA   LEU  56           HA       LEU  56  -0.940   7.228   3.682
  361   2HB   LEU  56          2HB       LEU  56  -0.406   8.895   2.092
  362    HG   LEU  56           HG       LEU  56  -3.020   9.938   2.497
  363   1HD1  LEU  56          1HD1      LEU  56  -0.921  12.048   3.045
  364   2HD1  LEU  56          2HD1      LEU  56  -2.689  12.247   2.993
  365   3HD1  LEU  56          3HD1      LEU  56  -1.938  11.303   4.302
  366   1HD2  LEU  56          1HD2      LEU  56  -2.707  10.752   0.417
  367   2HD2  LEU  56          2HD2      LEU  56  -1.118  11.454   0.807
  368   3HD2  LEU  56          3HD2      LEU  56  -1.262   9.714   0.459
  369    H    GLU  57           H        GLU  57  -4.126   8.892   3.780
  370    HA   GLU  57           HA       GLU  57  -3.927   9.666   6.440
  371   2HB   GLU  57          2HB       GLU  57  -5.575  10.679   4.979
  372   2HG   GLU  57          2HG       GLU  57  -6.800   7.884   4.811
  373    H    GLU  58           H        GLU  58  -5.260   6.709   4.850
  374    HA   GLU  58           HA       GLU  58  -6.121   5.625   7.317
  375   2HB   GLU  58          2HB       GLU  58  -5.752   4.376   4.560
  376   2HG   GLU  58          2HG       GLU  58  -6.689   3.266   7.193
  377    H    PHE  59           H        PHE  59  -3.169   5.526   5.337
  378    HA   PHE  59           HA       PHE  59  -2.036   3.236   6.480
  379   2HB   PHE  59          2HB       PHE  59  -0.309   5.572   5.686
  380    HD1  PHE  59           HD1      PHE  59  -1.510   2.143   4.900
  381    HD2  PHE  59           HD2      PHE  59   1.710   4.900   4.725
  382    HE1  PHE  59           HE1      PHE  59   0.018   0.309   4.122
  383    HE2  PHE  59           HE2      PHE  59   3.238   3.068   3.947
  384    HZ   PHE  59           HZ       PHE  59   2.373   0.794   3.655
  385    H    LEU  60           H        LEU  60  -2.042   6.706   7.420
  386    HA   LEU  60           HA       LEU  60  -0.140   6.245   9.524
  387   2HB   LEU  60          2HB       LEU  60  -0.483   8.595  10.027
  388    HG   LEU  60           HG       LEU  60  -0.015   7.839   7.172
  389   1HD1  LEU  60          1HD1      LEU  60  -0.723   9.763   6.327
  390   2HD1  LEU  60          2HD1      LEU  60  -1.160  10.368   7.943
  391   3HD1  LEU  60          3HD1      LEU  60   0.491  10.604   7.320
  392   1HD2  LEU  60          1HD2      LEU  60   1.597   8.083   9.377
  393   2HD2  LEU  60          2HD2      LEU  60   2.144   8.123   7.683
  394   3HD2  LEU  60          3HD2      LEU  60   1.840   9.644   8.557
  395    H    GLU  61           H        GLU  61  -3.690   6.568   9.121
  396    HA   GLU  61           HA       GLU  61  -4.304   6.792  11.798
  397   2HB   GLU  61          2HB       GLU  61  -6.053   5.296   9.822
  398   2HG   GLU  61          2HG       GLU  61  -6.697   7.453  11.883
  399    H    PHE  62           H        PHE  62  -3.546   3.956   9.756
  400    HA   PHE  62           HA       PHE  62  -4.341   2.091  11.779
  401   2HB   PHE  62          2HB       PHE  62  -2.530   0.997   9.802
  402    HD1  PHE  62           HD1      PHE  62  -5.262   1.316   7.824
  403    HD2  PHE  62           HD2      PHE  62  -4.189  -0.418  11.547
  404    HE1  PHE  62           HE1      PHE  62  -7.146  -0.328   7.602
  405    HE2  PHE  62           HE2      PHE  62  -6.073  -2.061  11.324
  406    HZ   PHE  62           HZ       PHE  62  -7.529  -1.996   9.355
  407    H    SER  63           H        SER  63  -1.272   3.508  10.521
  408    HA   SER  63           HA       SER  63   0.409   1.841  11.956
  409   2HB   SER  63          2HB       SER  63   1.086   3.322  10.049
  410    HG   SER  63           HG       SER  63   1.006   5.406  12.062
  411    H    LEU  64           H        LEU  64  -1.582   4.590  12.883
  412    HA   LEU  64           HA       LEU  64  -0.085   5.202  15.245
  413   2HB   LEU  64          2HB       LEU  64  -2.690   6.233  15.444
  414    HG   LEU  64           HG       LEU  64  -0.072   7.266  15.341
  415   1HD1  LEU  64          1HD1      LEU  64  -0.741   7.614  12.850
  416   2HD1  LEU  64          2HD1      LEU  64  -1.741   8.940  13.488
  417   3HD1  LEU  64          3HD1      LEU  64   0.019   8.946  13.754
  418   1HD2  LEU  64          1HD2      LEU  64  -1.032   9.192  16.363
  419   2HD2  LEU  64          2HD2      LEU  64  -2.635   8.840  15.672
  420   3HD2  LEU  64          3HD2      LEU  64  -1.953   7.777  16.927
  Start of MODEL    9
    1   1H    SER   1          HT1       SER   1   4.610  11.274   8.946
    2    HA   SER   1           HA       SER   1   5.857  10.853  10.942
    3   2HB   SER   1          2HB       SER   1   4.295   8.312  10.635
    4    HG   SER   1           HG       SER   1   5.014   9.895  12.643
    5    H    ASP   2           H        ASP   2   8.020  10.296  11.094
    6    HA   ASP   2           HA       ASP   2   9.412   8.558   9.699
    7   2HB   ASP   2          2HB       ASP   2  10.933   8.323  11.647
    8    H    ASP   3           H        ASP   3   7.021   7.832  12.227
    9    HA   ASP   3           HA       ASP   3   7.694   5.387  13.071
   10   2HB   ASP   3          2HB       ASP   3   4.849   5.575  12.227
   11    H    LYS   4           H        LYS   4   5.629   6.146  10.156
   12    HA   LYS   4           HA       LYS   4   6.614   3.662   8.950
   13   2HB   LYS   4          2HB       LYS   4   3.861   4.343   8.217
   14   2HG   LYS   4          2HG       LYS   4   5.232   1.852   9.338
   15   2HD   LYS   4          2HD       LYS   4   2.610   2.135   9.490
   16   2HE   LYS   4          2HE       LYS   4   3.028   1.511   6.527
   17   1HZ   LYS   4          1HZ       LYS   4   0.610   1.574   8.195
   18   2HZ   LYS   4          2HZ       LYS   4   0.605   1.478   6.565
   19   3HZ   LYS   4          3HZ       LYS   4   1.240   0.263   7.452
   20    H    ILE   5           H        ILE   5   7.558   6.450   8.745
   21    HA   ILE   5           HA       ILE   5   6.507   7.647   6.436
   22    HB   ILE   5           HB       ILE   5   7.990   8.574   8.344
   23   2HG1  ILE   5          2HG1      ILE   5   8.763  10.395   6.872
   24   1HG2  ILE   5          1HG2      ILE   5   9.898   7.173   8.195
   25   2HG2  ILE   5          2HG2      ILE   5  10.072   7.472   6.449
   26   3HG2  ILE   5          3HG2      ILE   5  10.396   8.780   7.612
   27   1HD1  ILE   5          1HD1      ILE   5   9.219   8.574   4.949
   28   2HD1  ILE   5          2HD1      ILE   5   7.548   8.998   4.503
   29   3HD1  ILE   5          3HD1      ILE   5   8.802  10.259   4.555
   30    H    GLY   6           H        GLY   6   8.994   5.144   7.013
   31   1HA   GLY   6          1HA       GLY   6  10.181   5.146   4.480
   32   2HA   GLY   6          2HA       GLY   6  10.115   3.802   5.604
   33    H    LEU   7           H        LEU   7   7.657   2.870   5.795
   34    HA   LEU   7           HA       LEU   7   7.154   1.623   3.382
   35   2HB   LEU   7          2HB       LEU   7   4.776   1.699   4.949
   36    HG   LEU   7           HG       LEU   7   5.580  -0.314   3.779
   37   1HD1  LEU   7          1HD1      LEU   7   7.510  -1.457   4.259
   38   2HD1  LEU   7          2HD1      LEU   7   8.039   0.217   4.544
   39   3HD1  LEU   7          3HD1      LEU   7   7.608  -0.827   5.920
   40   1HD2  LEU   7          1HD2      LEU   7   3.967  -0.687   5.475
   41   2HD2  LEU   7          2HD2      LEU   7   5.222  -1.931   5.684
   42   3HD2  LEU   7          3HD2      LEU   7   5.178  -0.520   6.768
   43    H    LYS   8           H        LYS   8   5.899   4.675   4.762
   44    HA   LYS   8           HA       LYS   8   3.826   4.998   2.888
   45   2HB   LYS   8          2HB       LYS   8   5.226   7.295   4.233
   46   2HG   LYS   8          2HG       LYS   8   2.264   6.776   4.235
   47   2HD   LYS   8          2HD       LYS   8   2.384   9.303   3.646
   48   2HE   LYS   8          2HE       LYS   8   3.557   8.253   6.264
   49   1HZ   LYS   8          1HZ       LYS   8   2.375  10.500   6.860
   50   2HZ   LYS   8          2HZ       LYS   8   3.958  10.440   6.470
   51   3HZ   LYS   8          3HZ       LYS   8   2.860  10.901   5.354
   52    H    VAL   9           H        VAL   9   7.312   5.840   2.931
   53    HA   VAL   9           HA       VAL   9   7.289   7.502   0.695
   54    HB   VAL   9           HB       VAL   9   9.403   5.702   1.886
   55   1HG1  VAL   9          1HG1      VAL   9   9.476   6.804  -0.666
   56   2HG1  VAL   9          2HG1      VAL   9  10.378   7.975   0.327
   57   3HG1  VAL   9          3HG1      VAL   9  10.875   6.265   0.294
   58   1HG2  VAL   9          1HG2      VAL   9   9.675   7.295   3.423
   59   2HG2  VAL   9          2HG2      VAL   9   9.867   8.536   2.162
   60   3HG2  VAL   9          3HG2      VAL   9   8.245   8.127   2.769
   61    H    LEU  10           H        LEU  10   8.132   3.971   0.936
   62    HA   LEU  10           HA       LEU  10   8.428   3.527  -1.756
   63   2HB   LEU  10          2HB       LEU  10   7.358   1.179  -0.796
   64    HG   LEU  10           HG       LEU  10   9.897   2.053  -1.535
   65   1HD1  LEU  10          1HD1      LEU  10  10.232   0.697   1.135
   66   2HD1  LEU  10          2HD1      LEU  10  11.446   1.526   0.131
   67   3HD1  LEU  10          3HD1      LEU  10  10.201   2.470   0.983
   68   1HD2  LEU  10          1HD2      LEU  10   9.643  -0.719  -0.500
   69   2HD2  LEU  10          2HD2      LEU  10   8.467  -0.210  -1.736
   70   3HD2  LEU  10          3HD2      LEU  10  10.211  -0.121  -2.077
   71    H    TYR  11           H        TYR  11   5.428   3.030   0.239
   72    HA   TYR  11           HA       TYR  11   3.767   2.349  -1.853
   73   2HB   TYR  11          2HB       TYR  11   3.673   3.484   0.925
   74    HD1  TYR  11           HD1      TYR  11   1.990   4.712   2.029
   75    HD2  TYR  11           HD2      TYR  11   1.374   3.474  -2.021
   76    HE1  TYR  11           HE1      TYR  11  -0.112   6.135   1.905
   77    HE2  TYR  11           HE2      TYR  11  -0.725   4.902  -2.130
   78    HH   TYR  11           HH       TYR  11  -1.626   6.864  -1.026
   79    H    LYS  12           H        LYS  12   4.452   5.626  -0.451
   80    HA   LYS  12           HA       LYS  12   2.692   7.021  -2.073
   81   2HB   LYS  12          2HB       LYS  12   5.243   7.797  -0.652
   82   2HG   LYS  12          2HG       LYS  12   4.108  10.173  -1.004
   83   2HD   LYS  12          2HD       LYS  12   5.400   9.304  -3.548
   84   2HE   LYS  12          2HE       LYS  12   5.171  11.670  -2.098
   85   1HZ   LYS  12          1HZ       LYS  12   6.786  11.063  -0.530
   86   2HZ   LYS  12          2HZ       LYS  12   7.810  10.469  -1.655
   87   3HZ   LYS  12          3HZ       LYS  12   7.543  12.077  -1.563
   88    H    LEU  13           H        LEU  13   5.964   5.740  -2.677
   89    HA   LEU  13           HA       LEU  13   6.196   7.174  -5.158
   90   2HB   LEU  13          2HB       LEU  13   8.054   5.014  -4.903
   91    HG   LEU  13           HG       LEU  13   9.748   6.720  -4.715
   92   1HD1  LEU  13          1HD1      LEU  13   8.673   6.290  -6.927
   93   2HD1  LEU  13          2HD1      LEU  13   7.636   7.709  -6.646
   94   3HD1  LEU  13          3HD1      LEU  13   9.401   7.907  -6.767
   95   1HD2  LEU  13          1HD2      LEU  13   9.345   8.504  -3.450
   96   2HD2  LEU  13          2HD2      LEU  13   8.449   9.180  -4.832
   97   3HD2  LEU  13          3HD2      LEU  13   7.582   8.279  -3.566
   98    H    MET  14           H        MET  14   4.893   4.127  -3.982
   99    HA   MET  14           HA       MET  14   5.046   2.792  -6.455
  100   2HB   MET  14          2HB       MET  14   2.851   2.050  -4.567
  101   2HG   MET  14          2HG       MET  14   5.085   0.748  -6.079
  102   1HE   MET  14          1HE       MET  14   7.011  -0.423  -3.166
  103   2HE   MET  14          2HE       MET  14   6.974  -1.002  -4.848
  104   3HE   MET  14          3HE       MET  14   6.802   0.736  -4.501
  105    H    ASP  15           H        ASP  15   2.470   4.660  -4.733
  106    HA   ASP  15           HA       ASP  15   0.370   4.164  -6.317
  107   2HB   ASP  15          2HB       ASP  15   1.326   6.699  -4.954
  108    H    VAL  16           H        VAL  16   0.822   3.928  -8.579
  109    HA   VAL  16           HA       VAL  16   1.859   6.338  -9.904
  110    HB   VAL  16           HB       VAL  16   2.158   3.403 -10.414
  111   1HG1  VAL  16          1HG1      VAL  16   3.170   4.211 -12.697
  112   2HG1  VAL  16          2HG1      VAL  16   1.422   3.907 -12.552
  113   3HG1  VAL  16          3HG1      VAL  16   2.043   5.574 -12.490
  114   1HG2  VAL  16          1HG2      VAL  16   3.941   4.489  -9.204
  115   2HG2  VAL  16          2HG2      VAL  16   4.517   4.110 -10.846
  116   3HG2  VAL  16          3HG2      VAL  16   4.050   5.776 -10.429
  117    H    ASP  17           H        ASP  17  -0.782   4.028  -9.549
  118    HA   ASP  17           HA       ASP  17  -2.114   4.111 -11.820
  119   2HB   ASP  17          2HB       ASP  17  -3.105   4.484  -8.972
  120    H    GLY  18           H        GLY  18  -3.236   6.402  -9.242
  121   1HA   GLY  18          1HA       GLY  18  -2.710   8.849 -10.061
  122   2HA   GLY  18          2HA       GLY  18  -3.862   8.384 -11.296
  123    H    ASP  19           H        ASP  19  -3.453   8.295  -7.684
  124    HA   ASP  19           HA       ASP  19  -5.971   9.570  -7.398
  125   2HB   ASP  19          2HB       ASP  19  -7.218   7.852  -6.402
  126    H    GLY  20           H        GLY  20  -3.314   7.586  -5.937
  127   1HA   GLY  20          1HA       GLY  20  -1.801   8.658  -4.414
  128   2HA   GLY  20          2HA       GLY  20  -3.147   9.551  -3.737
  129    H    LYS  21           H        LYS  21  -4.573   6.652  -4.316
  130    HA   LYS  21           HA       LYS  21  -3.992   5.742  -1.604
  131   2HB   LYS  21          2HB       LYS  21  -6.317   6.210  -2.042
  132   2HG   LYS  21          2HG       LYS  21  -6.931   4.076  -3.905
  133   2HD   LYS  21          2HD       LYS  21  -7.111   7.066  -4.435
  134   2HE   LYS  21          2HE       LYS  21  -8.592   4.569  -5.285
  135   1HZ   LYS  21          1HZ       LYS  21  -9.977   6.582  -4.288
  136   2HZ   LYS  21          2HZ       LYS  21  -9.826   7.102  -5.829
  137   3HZ   LYS  21          3HZ       LYS  21 -10.512   5.653  -5.520
  138    H    LEU  22           H        LEU  22  -3.487   3.522  -1.160
  139    HA   LEU  22           HA       LEU  22  -2.109   2.285  -3.413
  140   2HB   LEU  22          2HB       LEU  22  -1.904   1.259  -0.627
  141    HG   LEU  22           HG       LEU  22  -0.460   0.154  -2.151
  142   1HD1  LEU  22          1HD1      LEU  22   1.294   1.791  -3.363
  143   2HD1  LEU  22          2HD1      LEU  22  -0.234   1.263  -4.110
  144   3HD1  LEU  22          3HD1      LEU  22  -0.130   2.859  -3.329
  145   1HD2  LEU  22          1HD2      LEU  22   1.811   1.590  -1.381
  146   2HD2  LEU  22          2HD2      LEU  22   0.614   1.897  -0.099
  147   3HD2  LEU  22          3HD2      LEU  22   1.053   0.225  -0.526
  148    H    THR  23           H        THR  23  -3.806   1.344  -4.591
  149    HA   THR  23           HA       THR  23  -5.581  -0.457  -3.131
  150    HB   THR  23           HB       THR  23  -7.043  -0.086  -4.907
  151    HG1  THR  23           HG1      THR  23  -4.640   0.342  -6.534
  152   1HG2  THR  23          1HG2      THR  23  -5.314   2.120  -5.968
  153   2HG2  THR  23          2HG2      THR  23  -7.023   2.164  -5.473
  154   3HG2  THR  23          3HG2      THR  23  -5.738   2.237  -4.243
  155    H    LYS  24           H        LYS  24  -6.023  -2.641  -4.066
  156    HA   LYS  24           HA       LYS  24  -3.679  -4.116  -4.109
  157   2HB   LYS  24          2HB       LYS  24  -6.474  -4.820  -5.044
  158   2HG   LYS  24          2HG       LYS  24  -4.529  -6.870  -4.046
  159   2HD   LYS  24          2HD       LYS  24  -7.013  -7.190  -4.811
  160   2HE   LYS  24          2HE       LYS  24  -6.473  -7.859  -7.488
  161   1HZ   LYS  24          1HZ       LYS  24  -7.771  -5.453  -6.409
  162   2HZ   LYS  24          2HZ       LYS  24  -7.985  -6.052  -7.913
  163   3HZ   LYS  24          3HZ       LYS  24  -8.491  -6.905  -6.615
  164    H    GLU  25           H        GLU  25  -5.968  -3.619  -6.893
  165    HA   GLU  25           HA       GLU  25  -4.520  -4.674  -8.838
  166   2HB   GLU  25          2HB       GLU  25  -6.059  -2.043  -8.967
  167   2HG   GLU  25          2HG       GLU  25  -5.806  -3.947 -11.287
  168    H    GLU  26           H        GLU  26  -4.136  -1.274  -7.622
  169    HA   GLU  26           HA       GLU  26  -2.052  -0.666  -9.359
  170   2HB   GLU  26          2HB       GLU  26  -2.690   0.535  -6.628
  171   2HG   GLU  26          2HG       GLU  26  -1.202   1.659  -9.049
  172    H    VAL  27           H        VAL  27  -2.180  -2.162  -6.108
  173    HA   VAL  27           HA       VAL  27   0.611  -1.994  -5.648
  174    HB   VAL  27           HB       VAL  27  -1.785  -3.120  -4.381
  175   1HG1  VAL  27          1HG1      VAL  27  -0.836  -5.228  -4.349
  176   2HG1  VAL  27          2HG1      VAL  27   0.829  -4.601  -4.314
  177   3HG1  VAL  27          3HG1      VAL  27  -0.179  -4.532  -2.849
  178   1HG2  VAL  27          1HG2      VAL  27   0.621  -2.326  -2.823
  179   2HG2  VAL  27          2HG2      VAL  27  -0.116  -1.068  -3.845
  180   3HG2  VAL  27          3HG2      VAL  27  -1.091  -1.887  -2.602
  181    H    THR  28           H        THR  28  -1.439  -4.950  -6.177
  182    HA   THR  28           HA       THR  28   0.532  -6.715  -6.724
  183    HB   THR  28           HB       THR  28  -2.319  -6.341  -7.692
  184    HG1  THR  28           HG1      THR  28  -2.509  -7.794  -6.002
  185   1HG2  THR  28          1HG2      THR  28  -0.375  -8.576  -8.464
  186   2HG2  THR  28          2HG2      THR  28  -2.145  -8.756  -8.515
  187   3HG2  THR  28          3HG2      THR  28  -1.340  -7.569  -9.570
  188    H    SER  29           H        SER  29  -0.758  -4.214  -8.942
  189    HA   SER  29           HA       SER  29   0.489  -5.180 -11.211
  190   2HB   SER  29          2HB       SER  29  -0.398  -2.403 -10.356
  191    HG   SER  29           HG       SER  29   0.285  -1.567 -12.227
  192    H    PHE  30           H        PHE  30   1.510  -2.524  -8.934
  193    HA   PHE  30           HA       PHE  30   4.053  -2.270 -10.144
  194   2HB   PHE  30          2HB       PHE  30   3.212  -1.539  -7.287
  195    HD1  PHE  30           HD1      PHE  30   3.632   1.309  -9.201
  196    HD2  PHE  30           HD2      PHE  30   5.904  -1.792  -7.404
  197    HE1  PHE  30           HE1      PHE  30   5.655   2.796  -9.189
  198    HE2  PHE  30           HE2      PHE  30   7.926  -0.305  -7.391
  199    HZ   PHE  30           HZ       PHE  30   7.777   1.972  -8.284
  200    H    PHE  31           H        PHE  31   2.710  -4.186  -7.444
  201    HA   PHE  31           HA       PHE  31   5.283  -4.903  -6.438
  202   2HB   PHE  31          2HB       PHE  31   3.538  -6.726  -5.398
  203    HD1  PHE  31           HD1      PHE  31   4.662  -6.257  -3.375
  204    HD2  PHE  31           HD2      PHE  31   2.375  -3.215  -5.252
  205    HE1  PHE  31           HE1      PHE  31   4.881  -4.827  -1.324
  206    HE2  PHE  31           HE2      PHE  31   2.596  -1.784  -3.202
  207    HZ   PHE  31           HZ       PHE  31   3.845  -2.607  -1.262
  208    H    LYS  32           H        LYS  32   3.246  -5.951  -9.060
  209    HA   LYS  32           HA       LYS  32   3.675  -8.642  -9.172
  210   2HB   LYS  32          2HB       LYS  32   3.438  -6.553 -11.343
  211   2HG   LYS  32          2HG       LYS  32   2.777  -9.325 -12.074
  212   2HD   LYS  32          2HD       LYS  32   4.146  -8.709 -14.081
  213   2HE   LYS  32          2HE       LYS  32   2.565  -6.215 -13.588
  214   1HZ   LYS  32          1HZ       LYS  32   1.573  -7.790 -15.587
  215   2HZ   LYS  32          2HZ       LYS  32   2.533  -6.479 -15.759
  216   3HZ   LYS  32          3HZ       LYS  32   3.193  -7.971 -15.683
  217    H    LYS  33           H        LYS  33   5.943  -5.968  -9.798
  218    HA   LYS  33           HA       LYS  33   7.894  -7.596 -11.056
  219   2HB   LYS  33          2HB       LYS  33   9.366  -5.616 -10.649
  220   2HG   LYS  33          2HG       LYS  33   6.732  -5.585 -12.050
  221   2HD   LYS  33          2HD       LYS  33   8.253  -3.054 -11.317
  222   2HE   LYS  33          2HE       LYS  33   6.123  -3.077 -13.456
  223   1HZ   LYS  33          1HZ       LYS  33   7.073  -1.047 -12.506
  224   2HZ   LYS  33          2HZ       LYS  33   8.547  -1.465 -13.072
  225   3HZ   LYS  33          3HZ       LYS  33   7.328  -1.161 -14.115
  226    H    HIS  34           H        HIS  34   7.056  -6.740  -7.698
  227    HA   HIS  34           HA       HIS  34   9.480  -7.992  -6.742
  228   2HB   HIS  34          2HB       HIS  34   8.775  -7.231  -4.553
  229    HD1  HIS  34           HD1      HIS  34   7.339  -4.294  -4.653
  230    HD2  HIS  34           HD2      HIS  34  10.488  -5.695  -7.044
  231    HE1  HIS  34           HE1      HIS  34   8.577  -2.226  -5.489
  232    H    GLY  35           H        GLY  35   7.573  -8.733  -4.288
  233   1HA   GLY  35          1HA       GLY  35   6.847 -11.372  -5.404
  234   2HA   GLY  35          2HA       GLY  35   7.386 -11.079  -3.762
  235    H    ILE  36           H        ILE  36   4.974  -9.351  -5.864
  236    HA   ILE  36           HA       ILE  36   3.210  -8.498  -4.141
  237    HB   ILE  36           HB       ILE  36   2.807  -8.232  -6.437
  238   2HG1  ILE  36          2HG1      ILE  36   0.551 -10.012  -5.483
  239   1HG2  ILE  36          1HG2      ILE  36   2.372  -9.966  -8.015
  240   2HG2  ILE  36          2HG2      ILE  36   3.844 -10.412  -7.119
  241   3HG2  ILE  36          3HG2      ILE  36   2.295 -11.200  -6.734
  242   1HD1  ILE  36          1HD1      ILE  36   1.163  -8.413  -3.690
  243   2HD1  ILE  36          2HD1      ILE  36   1.133  -7.078  -4.867
  244   3HD1  ILE  36          3HD1      ILE  36  -0.370  -7.939  -4.461
  245    H    GLU  37           H        GLU  37   3.511 -11.979  -5.057
  246    HA   GLU  37           HA       GLU  37   1.478 -13.151  -3.964
  247   2HB   GLU  37          2HB       GLU  37   3.135 -14.919  -3.024
  248   2HG   GLU  37          2HG       GLU  37   3.329 -13.884  -5.889
  249    H    LYS  38           H        LYS  38   4.357 -12.541  -1.816
  250    HA   LYS  38           HA       LYS  38   3.052 -13.010   0.552
  251   2HB   LYS  38          2HB       LYS  38   5.392 -11.176  -0.043
  252   2HG   LYS  38          2HG       LYS  38   3.914 -11.524   2.385
  253   2HD   LYS  38          2HD       LYS  38   6.643 -12.371   3.104
  254   2HE   LYS  38          2HE       LYS  38   4.328 -12.248   4.442
  255   1HZ   LYS  38          1HZ       LYS  38   4.379 -15.050   3.587
  256   2HZ   LYS  38          2HZ       LYS  38   3.243 -14.296   4.485
  257   3HZ   LYS  38          3HZ       LYS  38   3.391 -13.949   2.895
  258    H    VAL  39           H        VAL  39   3.856  -9.707  -0.745
  259    HA   VAL  39           HA       VAL  39   2.432  -8.214   0.967
  260    HB   VAL  39           HB       VAL  39   2.883  -7.957  -1.998
  261   1HG1  VAL  39          1HG1      VAL  39   1.729  -5.804  -0.195
  262   2HG1  VAL  39          2HG1      VAL  39   2.112  -5.663  -1.928
  263   3HG1  VAL  39          3HG1      VAL  39   0.797  -6.737  -1.392
  264   1HG2  VAL  39          1HG2      VAL  39   4.636  -7.738   0.047
  265   2HG2  VAL  39          2HG2      VAL  39   4.768  -6.809  -1.466
  266   3HG2  VAL  39          3HG2      VAL  39   4.041  -6.062  -0.023
  267    H    ALA  40           H        ALA  40   1.163 -10.298  -1.635
  268    HA   ALA  40           HA       ALA  40  -1.436  -9.279  -1.688
  269   1HB   ALA  40          1HB       ALA  40  -0.968 -12.202  -2.101
  270   2HB   ALA  40          2HB       ALA  40  -1.825 -11.026  -3.125
  271   3HB   ALA  40          3HB       ALA  40  -0.046 -11.083  -3.132
  272    H    GLU  41           H        GLU  41   0.018 -12.036   0.177
  273    HA   GLU  41           HA       GLU  41  -2.299 -12.717   1.489
  274   2HB   GLU  41          2HB       GLU  41   0.421 -12.944   2.804
  275   2HG   GLU  41          2HG       GLU  41  -2.174 -14.475   2.742
  276    H    GLN  42           H        GLN  42   0.314 -10.383   2.383
  277    HA   GLN  42           HA       GLN  42  -0.832  -9.768   4.865
  278   2HB   GLN  42          2HB       GLN  42   0.724  -7.691   4.619
  279   2HG   GLN  42          2HG       GLN  42   2.616  -9.831   4.205
  280   1HE2  GLN  42          1HE2      GLN  42   3.111 -10.649   6.674
  281   2HE2  GLN  42          2HE2      GLN  42   3.366  -9.337   7.776
  282    H    VAL  43           H        VAL  43  -1.166  -8.472   1.544
  283    HA   VAL  43           HA       VAL  43  -2.586  -6.147   2.330
  284    HB   VAL  43           HB       VAL  43  -2.067  -7.621  -0.232
  285   1HG1  VAL  43          1HG1      VAL  43  -4.226  -5.645   0.296
  286   2HG1  VAL  43          2HG1      VAL  43  -3.240  -5.373  -1.161
  287   3HG1  VAL  43          3HG1      VAL  43  -4.105  -6.915  -0.946
  288   1HG2  VAL  43          1HG2      VAL  43  -0.797  -5.688  -0.819
  289   2HG2  VAL  43          2HG2      VAL  43  -1.470  -4.750   0.536
  290   3HG2  VAL  43          3HG2      VAL  43  -0.359  -6.104   0.856
  291    H    MET  44           H        MET  44  -3.459  -9.501   1.387
  292    HA   MET  44           HA       MET  44  -6.180  -9.024   1.133
  293   2HB   MET  44          2HB       MET  44  -4.983 -11.633   2.166
  294   2HG   MET  44          2HG       MET  44  -7.261 -10.831   0.322
  295   1HE   MET  44          1HE       MET  44  -7.606 -14.945   0.673
  296   2HE   MET  44          2HE       MET  44  -5.895 -14.935   1.163
  297   3HE   MET  44          3HE       MET  44  -7.064 -13.877   1.990
  298    H    LYS  45           H        LYS  45  -4.132  -9.961   3.950
  299    HA   LYS  45           HA       LYS  45  -6.424 -10.186   5.666
  300   2HB   LYS  45          2HB       LYS  45  -4.591 -10.443   7.425
  301   2HG   LYS  45          2HG       LYS  45  -3.843 -12.692   6.400
  302   2HD   LYS  45          2HD       LYS  45  -6.487 -11.777   7.216
  303   2HE   LYS  45          2HE       LYS  45  -6.362 -14.055   5.182
  304   1HZ   LYS  45          1HZ       LYS  45  -8.115 -13.539   7.357
  305   2HZ   LYS  45          2HZ       LYS  45  -8.907 -13.638   5.933
  306   3HZ   LYS  45          3HZ       LYS  45  -7.971 -14.878   6.435
  307    H    ALA  46           H        ALA  46  -4.283  -7.679   4.507
  308    HA   ALA  46           HA       ALA  46  -4.727  -5.949   6.758
  309   1HB   ALA  46          1HB       ALA  46  -3.523  -4.309   5.283
  310   2HB   ALA  46          2HB       ALA  46  -2.630  -5.828   5.540
  311   3HB   ALA  46          3HB       ALA  46  -3.489  -5.549   4.006
  312    H    ASP  47           H        ASP  47  -5.812  -6.158   3.302
  313    HA   ASP  47           HA       ASP  47  -7.665  -4.032   3.777
  314   2HB   ASP  47          2HB       ASP  47  -7.427  -5.864   1.347
  315    H    ALA  48           H        ALA  48  -8.307  -5.992   5.585
  316    HA   ALA  48           HA       ALA  48 -10.279  -7.756   4.373
  317   1HB   ALA  48          1HB       ALA  48  -9.116  -7.499   7.173
  318   2HB   ALA  48          2HB       ALA  48 -10.375  -8.673   6.720
  319   3HB   ALA  48          3HB       ALA  48  -8.763  -8.760   5.969
  320    H    ASN  49           H        ASN  49 -10.812  -4.943   4.161
  321    HA   ASN  49           HA       ASN  49 -12.849  -4.592   6.205
  322   2HB   ASN  49          2HB       ASN  49 -12.540  -2.299   4.426
  323   1HD2  ASN  49          1HD2      ASN  49 -10.693  -0.978   6.226
  324   2HD2  ASN  49          2HD2      ASN  49 -11.513  -0.718   7.730
  325    H    GLY  50           H        GLY  50 -12.179  -5.183   2.798
  326   1HA   GLY  50          1HA       GLY  50 -14.601  -6.058   2.007
  327   2HA   GLY  50          2HA       GLY  50 -14.769  -4.322   1.835
  328    H    ASP  51           H        ASP  51 -12.475  -3.325   0.869
  329    HA   ASP  51           HA       ASP  51 -10.852  -4.595  -0.753
  330   2HB   ASP  51          2HB       ASP  51 -12.361  -4.036  -3.015
  331    H    GLY  52           H        GLY  52 -10.215  -2.400   0.318
  332   1HA   GLY  52          1HA       GLY  52 -10.918  -0.134  -1.450
  333   2HA   GLY  52          2HA       GLY  52 -10.529   0.001   0.253
  334    H    TYR  53           H        TYR  53  -8.712   1.360   0.043
  335    HA   TYR  53           HA       TYR  53  -6.349   0.007  -1.011
  336   2HB   TYR  53          2HB       TYR  53  -6.840   1.445  -2.857
  337    HD1  TYR  53           HD1      TYR  53  -8.714   2.430  -3.785
  338    HD2  TYR  53           HD2      TYR  53  -7.401   3.741   0.070
  339    HE1  TYR  53           HE1      TYR  53 -10.612   4.120  -3.704
  340    HE2  TYR  53           HE2      TYR  53  -9.302   5.426   0.138
  341    HH   TYR  53           HH       TYR  53 -11.871   5.335  -2.130
  342    H    ILE  54           H        ILE  54  -4.300   1.265  -0.350
  343    HA   ILE  54           HA       ILE  54  -4.715   2.147   2.403
  344    HB   ILE  54           HB       ILE  54  -2.754   0.541   1.020
  345   2HG1  ILE  54          2HG1      ILE  54  -3.676   1.035   3.829
  346   1HG2  ILE  54          1HG2      ILE  54  -1.766   2.977   2.495
  347   2HG2  ILE  54          2HG2      ILE  54  -0.811   1.478   2.413
  348   3HG2  ILE  54          3HG2      ILE  54  -1.255   2.332   0.916
  349   1HD1  ILE  54          1HD1      ILE  54  -3.249  -1.539   2.258
  350   2HD1  ILE  54          2HD1      ILE  54  -4.222  -1.309   3.730
  351   3HD1  ILE  54          3HD1      ILE  54  -4.763  -0.607   2.187
  352    H    THR  55           H        THR  55  -5.175   4.307   2.437
  353    HA   THR  55           HA       THR  55  -3.633   6.047   0.660
  354    HB   THR  55           HB       THR  55  -5.395   7.689   1.238
  355    HG1  THR  55           HG1      THR  55  -6.981   6.935   2.845
  356   1HG2  THR  55          1HG2      THR  55  -6.866   6.672  -0.183
  357   2HG2  THR  55          2HG2      THR  55  -5.953   5.156   0.002
  358   3HG2  THR  55          3HG2      THR  55  -7.314   5.513   1.092
  359    H    LEU  56           H        LEU  56  -2.308   7.715   1.369
  360    HA   LEU  56           HA       LEU  56  -0.658   7.307   3.416
  361   2HB   LEU  56          2HB       LEU  56  -0.259   9.008   1.810
  362    HG   LEU  56           HG       LEU  56  -2.860   9.896   2.161
  363   1HD1  LEU  56          1HD1      LEU  56  -1.341  11.242   4.107
  364   2HD1  LEU  56          2HD1      LEU  56  -1.597  12.411   2.789
  365   3HD1  LEU  56          3HD1      LEU  56  -2.992  11.616   3.556
  366   1HD2  LEU  56          1HD2      LEU  56  -2.399  11.378   0.398
  367   2HD2  LEU  56          2HD2      LEU  56  -0.695  11.564   0.880
  368   3HD2  LEU  56          3HD2      LEU  56  -1.259  10.028   0.178
  369    H    GLU  57           H        GLU  57  -3.911   8.821   3.622
  370    HA   GLU  57           HA       GLU  57  -3.641   9.551   6.304
  371   2HB   GLU  57          2HB       GLU  57  -5.319  10.583   4.849
  372   2HG   GLU  57          2HG       GLU  57  -6.759   7.892   4.883
  373    H    GLU  58           H        GLU  58  -5.219   6.716   4.673
  374    HA   GLU  58           HA       GLU  58  -5.986   5.528   7.080
  375   2HB   GLU  58          2HB       GLU  58  -5.500   4.202   4.376
  376   2HG   GLU  58          2HG       GLU  58  -6.326   3.147   6.909
  377    H    PHE  59           H        PHE  59  -3.052   5.328   5.030
  378    HA   PHE  59           HA       PHE  59  -1.921   3.080   6.204
  379   2HB   PHE  59          2HB       PHE  59  -0.231   5.455   5.391
  380    HD1  PHE  59           HD1      PHE  59  -1.249   1.940   4.732
  381    HD2  PHE  59           HD2      PHE  59   1.843   4.839   4.510
  382    HE1  PHE  59           HE1      PHE  59   0.383   0.150   4.072
  383    HE2  PHE  59           HE2      PHE  59   3.474   3.049   3.849
  384    HZ   PHE  59           HZ       PHE  59   2.724   0.726   3.638
  385    H    LEU  60           H        LEU  60  -1.706   6.586   7.064
  386    HA   LEU  60           HA       LEU  60   0.166   6.162   9.139
  387   2HB   LEU  60          2HB       LEU  60  -1.715   8.492   9.000
  388    HG   LEU  60           HG       LEU  60   0.869   7.982  10.229
  389   1HD1  LEU  60          1HD1      LEU  60   2.179   9.054   8.756
  390   2HD1  LEU  60          2HD1      LEU  60   0.807   9.855   7.954
  391   3HD1  LEU  60          3HD1      LEU  60   1.471  10.526   9.463
  392   1HD2  LEU  60          1HD2      LEU  60  -1.079   8.903  11.392
  393   2HD2  LEU  60          2HD2      LEU  60   0.316  10.005  11.479
  394   3HD2  LEU  60          3HD2      LEU  60  -1.021  10.348  10.356
  395    H    GLU  61           H        GLU  61  -3.328   7.152   9.341
  396    HA   GLU  61           HA       GLU  61  -3.698   6.848  11.946
  397   2HB   GLU  61          2HB       GLU  61  -5.857   5.610  10.297
  398   2HG   GLU  61          2HG       GLU  61  -5.515   7.567  12.519
  399    H    PHE  62           H        PHE  62  -3.416   4.214   9.535
  400    HA   PHE  62           HA       PHE  62  -4.336   2.105  11.027
  401   2HB   PHE  62          2HB       PHE  62  -1.996   1.280   9.590
  402    HD1  PHE  62           HD1      PHE  62  -4.408  -0.078  10.434
  403    HD2  PHE  62           HD2      PHE  62  -3.622   1.969   6.800
  404    HE1  PHE  62           HE1      PHE  62  -6.119  -1.494   9.266
  405    HE2  PHE  62           HE2      PHE  62  -5.334   0.552   5.633
  406    HZ   PHE  62           HZ       PHE  62  -6.562  -1.163   6.879
  407    H    SER  63           H        SER  63  -1.080   3.666  11.026
  408    HA   SER  63           HA       SER  63  -0.071   1.750  12.863
  409   2HB   SER  63          2HB       SER  63   1.340   2.948  11.163
  410    HG   SER  63           HG       SER  63   1.865   5.178  12.637
  411    H    LEU  64           H        LEU  64  -1.705   4.889  12.980
  412    HA   LEU  64           HA       LEU  64  -0.923   5.458  15.673
  413   2HB   LEU  64          2HB       LEU  64  -3.013   6.657  13.851
  414    HG   LEU  64           HG       LEU  64  -2.327   7.277  16.653
  415   1HD1  LEU  64          1HD1      LEU  64  -2.530   9.741  16.296
  416   2HD1  LEU  64          2HD1      LEU  64  -1.015   9.032  15.688
  417   3HD1  LEU  64          3HD1      LEU  64  -2.318   9.457  14.552
  418   1HD2  LEU  64          1HD2      LEU  64  -4.632   7.226  14.893
  419   2HD2  LEU  64          2HD2      LEU  64  -4.547   7.171  16.670
  420   3HD2  LEU  64          3HD2      LEU  64  -4.558   8.739  15.828
  Start of MODEL   10
    1   1H    SER   1          HT1       SER   1   2.831   8.253  12.374
    2    HA   SER   1           HA       SER   1   3.490   6.729  10.955
    3   2HB   SER   1          2HB       SER   1   2.686   8.815   8.918
    4    HG   SER   1           HG       SER   1   4.404   7.871   7.826
    5    H    ASP   2           H        ASP   2   5.174   8.859  12.254
    6    HA   ASP   2           HA       ASP   2   7.133   9.876  10.752
    7   2HB   ASP   2          2HB       ASP   2   8.649   9.357  12.809
    8    H    ASP   3           H        ASP   3   7.673   6.827  12.674
    9    HA   ASP   3           HA       ASP   3   9.814   6.015  11.140
   10   2HB   ASP   3          2HB       ASP   3   8.038   3.989  12.505
   11    H    LYS   4           H        LYS   4   6.316   5.750  10.733
   12    HA   LYS   4           HA       LYS   4   6.370   3.512   8.972
   13   2HB   LYS   4          2HB       LYS   4   4.019   5.115   8.637
   14   2HG   LYS   4          2HG       LYS   4   4.280   2.581   8.595
   15   2HD   LYS   4          2HD       LYS   4   3.785   2.183  11.417
   16   2HE   LYS   4          2HE       LYS   4   5.883   1.298   9.404
   17   1HZ   LYS   4          1HZ       LYS   4   5.738   0.037  11.991
   18   2HZ   LYS   4          2HZ       LYS   4   7.020   0.236  10.999
   19   3HZ   LYS   4          3HZ       LYS   4   6.513   1.473  11.937
   20    H    ILE   5           H        ILE   5   7.373   6.764   8.709
   21    HA   ILE   5           HA       ILE   5   6.576   7.708   6.344
   22    HB   ILE   5           HB       ILE   5   9.210   7.708   7.744
   23   2HG1  ILE   5          2HG1      ILE   5   7.124   9.111   8.338
   24   1HG2  ILE   5          1HG2      ILE   5   8.729   8.623   4.920
   25   2HG2  ILE   5          2HG2      ILE   5   9.907   9.454   5.965
   26   3HG2  ILE   5          3HG2      ILE   5  10.105   7.722   5.603
   27   1HD1  ILE   5          1HD1      ILE   5   9.179  11.138   7.976
   28   2HD1  ILE   5          2HD1      ILE   5   8.638  10.349   9.478
   29   3HD1  ILE   5          3HD1      ILE   5   9.918   9.602   8.491
   30    H    GLY   6           H        GLY   6   9.388   5.422   6.671
   31   1HA   GLY   6          1HA       GLY   6  10.040   4.946   4.126
   32   2HA   GLY   6          2HA       GLY   6   9.958   3.677   5.332
   33    H    LEU   7           H        LEU   7   7.618   2.781   5.756
   34    HA   LEU   7           HA       LEU   7   6.715   1.510   3.551
   35   2HB   LEU   7          2HB       LEU   7   4.466   1.994   5.217
   36    HG   LEU   7           HG       LEU   7   5.166  -0.212   4.215
   37   1HD1  LEU   7          1HD1      LEU   7   7.265  -0.861   4.597
   38   2HD1  LEU   7          2HD1      LEU   7   7.447   0.237   5.987
   39   3HD1  LEU   7          3HD1      LEU   7   6.695  -1.362   6.207
   40   1HD2  LEU   7          1HD2      LEU   7   4.718  -0.441   7.190
   41   2HD2  LEU   7          2HD2      LEU   7   3.460   0.157   6.082
   42   3HD2  LEU   7          3HD2      LEU   7   4.114  -1.486   5.881
   43    H    LYS   8           H        LYS   8   5.800   4.779   4.725
   44    HA   LYS   8           HA       LYS   8   3.729   5.118   2.830
   45   2HB   LYS   8          2HB       LYS   8   5.301   7.256   4.291
   46   2HG   LYS   8          2HG       LYS   8   2.654   7.996   4.209
   47   2HD   LYS   8          2HD       LYS   8   3.466   9.220   1.961
   48   2HE   LYS   8          2HE       LYS   8   3.365   9.998   4.524
   49   1HZ   LYS   8          1HZ       LYS   8   6.021  10.693   4.465
   50   2HZ   LYS   8          2HZ       LYS   8   5.279   9.716   5.543
   51   3HZ   LYS   8          3HZ       LYS   8   5.986   9.079   4.215
   52    H    VAL   9           H        VAL   9   7.244   5.889   2.923
   53    HA   VAL   9           HA       VAL   9   7.392   7.442   0.663
   54    HB   VAL   9           HB       VAL   9   9.331   5.399   1.764
   55   1HG1  VAL   9          1HG1      VAL   9   9.858   5.992  -0.574
   56   2HG1  VAL   9          2HG1      VAL   9   9.867   7.715  -0.127
   57   3HG1  VAL   9          3HG1      VAL   9  11.079   6.610   0.565
   58   1HG2  VAL   9          1HG2      VAL   9  10.125   7.002   3.202
   59   2HG2  VAL   9          2HG2      VAL   9   9.627   8.352   2.154
   60   3HG2  VAL   9          3HG2      VAL   9   8.415   7.489   3.128
   61    H    LEU  10           H        LEU  10   7.970   3.852   0.846
   62    HA   LEU  10           HA       LEU  10   8.114   3.442  -1.869
   63   2HB   LEU  10          2HB       LEU  10   7.003   1.127  -0.911
   64    HG   LEU  10           HG       LEU  10   9.461   1.783  -1.834
   65   1HD1  LEU  10          1HD1      LEU  10  10.704   2.518  -0.108
   66   2HD1  LEU  10          2HD1      LEU  10   9.661   1.752   1.115
   67   3HD1  LEU  10          3HD1      LEU  10  10.877   0.782   0.248
   68   1HD2  LEU  10          1HD2      LEU  10   9.789  -0.457  -2.012
   69   2HD2  LEU  10          2HD2      LEU  10   9.326  -0.778  -0.323
   70   3HD2  LEU  10          3HD2      LEU  10   8.070  -0.480  -1.549
   71    H    TYR  11           H        TYR  11   5.205   2.999   0.269
   72    HA   TYR  11           HA       TYR  11   3.384   2.407  -1.668
   73   2HB   TYR  11          2HB       TYR  11   3.502   3.802   1.011
   74    HD1  TYR  11           HD1      TYR  11   1.175   3.637  -1.874
   75    HD2  TYR  11           HD2      TYR  11   1.733   4.934   2.165
   76    HE1  TYR  11           HE1      TYR  11  -0.949   5.026  -2.018
   77    HE2  TYR  11           HE2      TYR  11  -0.394   6.318   2.007
   78    HH   TYR  11           HH       TYR  11  -1.846   7.064  -0.891
   79    H    LYS  12           H        LYS  12   4.101   5.738  -0.386
   80    HA   LYS  12           HA       LYS  12   2.433   7.096  -2.097
   81   2HB   LYS  12          2HB       LYS  12   4.973   7.842  -0.656
   82   2HG   LYS  12          2HG       LYS  12   4.060  10.255  -1.221
   83   2HD   LYS  12          2HD       LYS  12   5.315   9.118  -3.672
   84   2HE   LYS  12          2HE       LYS  12   7.094  10.828  -2.333
   85   1HZ   LYS  12          1HZ       LYS  12   6.633  12.184  -4.080
   86   2HZ   LYS  12          2HZ       LYS  12   6.065  10.776  -4.678
   87   3HZ   LYS  12          3HZ       LYS  12   5.028  11.887  -4.081
   88    H    LEU  13           H        LEU  13   5.617   5.627  -2.667
   89    HA   LEU  13           HA       LEU  13   5.950   6.983  -5.178
   90   2HB   LEU  13          2HB       LEU  13   7.476   4.634  -4.052
   91    HG   LEU  13           HG       LEU  13   7.968   6.532  -6.297
   92   1HD1  LEU  13          1HD1      LEU  13  10.326   6.591  -6.048
   93   2HD1  LEU  13          2HD1      LEU  13   9.635   7.131  -4.498
   94   3HD1  LEU  13          3HD1      LEU  13  10.282   5.480  -4.658
   95   1HD2  LEU  13          1HD2      LEU  13   8.639   3.649  -5.692
   96   2HD2  LEU  13          2HD2      LEU  13   7.527   4.297  -6.921
   97   3HD2  LEU  13          3HD2      LEU  13   9.284   4.520  -7.104
   98    H    MET  14           H        MET  14   4.520   3.994  -3.938
   99    HA   MET  14           HA       MET  14   4.529   2.651  -6.402
  100   2HB   MET  14          2HB       MET  14   2.479   1.474  -5.043
  101   2HG   MET  14          2HG       MET  14   5.463   1.316  -4.729
  102   1HE   MET  14          1HE       MET  14   6.709  -0.537  -3.004
  103   2HE   MET  14          2HE       MET  14   5.668  -1.717  -2.171
  104   3HE   MET  14          3HE       MET  14   5.612  -1.575  -3.945
  105    H    ASP  15           H        ASP  15   2.047   4.602  -4.623
  106    HA   ASP  15           HA       ASP  15  -0.126   4.269  -6.038
  107   2HB   ASP  15          2HB       ASP  15   1.180   6.804  -5.023
  108    H    VAL  16           H        VAL  16  -0.040   3.809  -8.284
  109    HA   VAL  16           HA       VAL  16   0.957   5.996  -9.966
  110    HB   VAL  16           HB       VAL  16   2.644   4.351 -10.078
  111   1HG1  VAL  16          1HG1      VAL  16   1.477   1.978 -11.019
  112   2HG1  VAL  16          2HG1      VAL  16   2.198   2.265  -9.418
  113   3HG1  VAL  16          3HG1      VAL  16   0.451   2.497  -9.661
  114   1HG2  VAL  16          1HG2      VAL  16   0.745   4.249 -12.426
  115   2HG2  VAL  16          2HG2      VAL  16   2.258   5.168 -12.248
  116   3HG2  VAL  16          3HG2      VAL  16   2.309   3.400 -12.448
  117    H    ASP  17           H        ASP  17  -1.196   6.807 -10.151
  118    HA   ASP  17           HA       ASP  17  -2.640   5.533 -12.199
  119   2HB   ASP  17          2HB       ASP  17  -3.692   5.447  -9.351
  120    H    GLY  18           H        GLY  18  -3.483   7.534  -9.261
  121   1HA   GLY  18          1HA       GLY  18  -3.194  10.036  -9.861
  122   2HA   GLY  18          2HA       GLY  18  -4.434   9.671 -11.043
  123    H    ASP  19           H        ASP  19  -3.965   8.482  -7.642
  124    HA   ASP  19           HA       ASP  19  -6.443   9.840  -6.977
  125   2HB   ASP  19          2HB       ASP  19  -7.484   7.926  -6.166
  126    H    GLY  20           H        GLY  20  -3.568   7.911  -5.880
  127   1HA   GLY  20          1HA       GLY  20  -1.996   8.806  -4.361
  128   2HA   GLY  20          2HA       GLY  20  -3.256   9.769  -3.616
  129    H    LYS  21           H        LYS  21  -4.684   6.803  -4.276
  130    HA   LYS  21           HA       LYS  21  -4.202   5.939  -1.527
  131   2HB   LYS  21          2HB       LYS  21  -6.519   6.363  -2.101
  132   2HG   LYS  21          2HG       LYS  21  -6.880   4.087  -3.917
  133   2HD   LYS  21          2HD       LYS  21  -7.470   7.041  -4.381
  134   2HE   LYS  21          2HE       LYS  21  -9.020   4.545  -5.205
  135   1HZ   LYS  21          1HZ       LYS  21  -9.302   7.385  -5.562
  136   2HZ   LYS  21          2HZ       LYS  21  -9.588   6.479  -6.890
  137   3HZ   LYS  21          3HZ       LYS  21 -10.445   6.220  -5.525
  138    H    LEU  22           H        LEU  22  -3.773   3.674  -1.064
  139    HA   LEU  22           HA       LEU  22  -2.200   2.485  -3.214
  140   2HB   LEU  22          2HB       LEU  22  -2.240   1.488  -0.394
  141    HG   LEU  22           HG       LEU  22  -0.758   0.243  -1.758
  142   1HD1  LEU  22          1HD1      LEU  22   1.144   1.743  -2.936
  143   2HD1  LEU  22          2HD1      LEU  22  -0.348   1.217  -3.754
  144   3HD1  LEU  22          3HD1      LEU  22  -0.241   2.854  -3.063
  145   1HD2  LEU  22          1HD2      LEU  22   0.263   2.019   0.278
  146   2HD2  LEU  22          2HD2      LEU  22   0.681   0.324  -0.072
  147   3HD2  LEU  22          3HD2      LEU  22   1.524   1.643  -0.920
  148    H    THR  23           H        THR  23  -3.812   1.574  -4.537
  149    HA   THR  23           HA       THR  23  -5.671  -0.277  -3.252
  150    HB   THR  23           HB       THR  23  -6.969   0.032  -5.196
  151    HG1  THR  23           HG1      THR  23  -4.316   0.553  -6.326
  152   1HG2  THR  23          1HG2      THR  23  -5.473   2.485  -5.924
  153   2HG2  THR  23          2HG2      THR  23  -7.161   2.314  -5.388
  154   3HG2  THR  23          3HG2      THR  23  -5.850   2.391  -4.187
  155    H    LYS  24           H        LYS  24  -6.002  -2.451  -4.190
  156    HA   LYS  24           HA       LYS  24  -3.600  -3.859  -4.187
  157   2HB   LYS  24          2HB       LYS  24  -6.379  -4.658  -5.101
  158   2HG   LYS  24          2HG       LYS  24  -3.780  -6.112  -5.012
  159   2HD   LYS  24          2HD       LYS  24  -5.958  -6.866  -3.218
  160   2HE   LYS  24          2HE       LYS  24  -5.679  -9.384  -4.066
  161   1HZ   LYS  24          1HZ       LYS  24  -7.549  -7.320  -4.732
  162   2HZ   LYS  24          2HZ       LYS  24  -7.604  -8.622  -5.718
  163   3HZ   LYS  24          3HZ       LYS  24  -7.814  -8.805  -4.109
  164    H    GLU  25           H        GLU  25  -5.727  -2.735  -6.880
  165    HA   GLU  25           HA       GLU  25  -4.461  -4.012  -8.919
  166   2HB   GLU  25          2HB       GLU  25  -5.146  -1.559 -10.034
  167   2HG   GLU  25          2HG       GLU  25  -7.156  -3.724  -9.281
  168    H    GLU  26           H        GLU  26  -3.832  -0.595  -7.817
  169    HA   GLU  26           HA       GLU  26  -1.617  -0.257  -9.425
  170   2HB   GLU  26          2HB       GLU  26  -1.126   1.695  -7.988
  171   2HG   GLU  26          2HG       GLU  26  -4.152   1.404  -8.111
  172    H    VAL  27           H        VAL  27  -2.038  -1.837  -6.277
  173    HA   VAL  27           HA       VAL  27   0.694  -1.799  -5.545
  174    HB   VAL  27           HB       VAL  27  -1.839  -2.959  -4.615
  175   1HG1  VAL  27          1HG1      VAL  27  -0.389  -4.497  -3.031
  176   2HG1  VAL  27          2HG1      VAL  27  -0.940  -5.082  -4.619
  177   3HG1  VAL  27          3HG1      VAL  27   0.728  -4.498  -4.416
  178   1HG2  VAL  27          1HG2      VAL  27   0.156  -2.455  -2.584
  179   2HG2  VAL  27          2HG2      VAL  27   0.096  -1.104  -3.740
  180   3HG2  VAL  27          3HG2      VAL  27  -1.383  -1.616  -2.893
  181    H    THR  28           H        THR  28  -1.342  -4.661  -6.473
  182    HA   THR  28           HA       THR  28   0.672  -6.404  -6.985
  183    HB   THR  28           HB       THR  28  -2.001  -6.015  -8.433
  184    HG1  THR  28           HG1      THR  28  -1.025  -7.674  -6.215
  185   1HG2  THR  28          1HG2      THR  28  -0.786  -8.718  -7.954
  186   2HG2  THR  28          2HG2      THR  28  -1.807  -8.162  -9.302
  187   3HG2  THR  28          3HG2      THR  28  -0.072  -7.764  -9.277
  188    H    SER  29           H        SER  29  -0.354  -3.658  -9.000
  189    HA   SER  29           HA       SER  29   0.985  -4.511 -11.293
  190   2HB   SER  29          2HB       SER  29   0.975  -1.728 -11.424
  191    HG   SER  29           HG       SER  29  -0.023  -2.987 -13.026
  192    H    PHE  30           H        PHE  30   1.867  -2.092  -8.717
  193    HA   PHE  30           HA       PHE  30   4.498  -1.779  -9.749
  194   2HB   PHE  30          2HB       PHE  30   3.535  -1.192  -6.906
  195    HD1  PHE  30           HD1      PHE  30   5.981  -1.059  -6.420
  196    HD2  PHE  30           HD2      PHE  30   4.121   1.468  -9.277
  197    HE1  PHE  30           HE1      PHE  30   7.948   0.497  -6.323
  198    HE2  PHE  30           HE2      PHE  30   6.088   3.025  -9.180
  199    HZ   PHE  30           HZ       PHE  30   7.978   2.520  -7.704
  200    H    PHE  31           H        PHE  31   2.929  -3.803  -7.252
  201    HA   PHE  31           HA       PHE  31   5.431  -4.636  -6.140
  202   2HB   PHE  31          2HB       PHE  31   3.613  -6.405  -5.196
  203    HD1  PHE  31           HD1      PHE  31   4.945  -5.733  -3.264
  204    HD2  PHE  31           HD2      PHE  31   2.106  -3.088  -4.983
  205    HE1  PHE  31           HE1      PHE  31   5.043  -4.293  -1.210
  206    HE2  PHE  31           HE2      PHE  31   2.203  -1.649  -2.929
  207    HZ   PHE  31           HZ       PHE  31   3.671  -2.268  -1.067
  208    H    LYS  32           H        LYS  32   3.454  -5.522  -8.872
  209    HA   LYS  32           HA       LYS  32   3.699  -8.190  -9.112
  210   2HB   LYS  32          2HB       LYS  32   4.364  -7.008 -11.646
  211   2HG   LYS  32          2HG       LYS  32   1.521  -7.535 -10.953
  212   2HD   LYS  32          2HD       LYS  32   3.403  -8.915 -12.919
  213   2HE   LYS  32          2HE       LYS  32   0.682  -9.367 -12.198
  214   1HZ   LYS  32          1HZ       LYS  32  -0.535  -8.466 -13.802
  215   2HZ   LYS  32          2HZ       LYS  32   0.675  -7.384 -13.980
  216   3HZ   LYS  32          3HZ       LYS  32   0.590  -8.682 -14.967
  217    H    LYS  33           H        LYS  33   6.289  -5.788  -9.149
  218    HA   LYS  33           HA       LYS  33   8.187  -7.761 -10.121
  219   2HB   LYS  33          2HB       LYS  33   8.787  -4.927  -9.267
  220   2HG   LYS  33          2HG       LYS  33  10.385  -5.361 -11.337
  221   2HD   LYS  33          2HD       LYS  33  10.916  -6.823  -8.710
  222   2HE   LYS  33          2HE       LYS  33  12.600  -7.118 -10.578
  223   1HZ   LYS  33          1HZ       LYS  33  13.919  -4.911 -10.762
  224   2HZ   LYS  33          2HZ       LYS  33  12.658  -5.203 -11.757
  225   3HZ   LYS  33          3HZ       LYS  33  12.468  -4.224 -10.464
  226    H    HIS  34           H        HIS  34   7.278  -5.945  -7.156
  227    HA   HIS  34           HA       HIS  34   9.454  -6.940  -5.654
  228   2HB   HIS  34          2HB       HIS  34   8.215  -6.025  -3.727
  229    HD1  HIS  34           HD1      HIS  34   7.261  -4.038  -6.861
  230    HD2  HIS  34           HD2      HIS  34   9.952  -3.904  -3.646
  231    HE1  HIS  34           HE1      HIS  34   8.482  -1.805  -7.043
  232    H    GLY  35           H        GLY  35   6.926  -7.480  -3.589
  233   1HA   GLY  35          1HA       GLY  35   6.987 -10.383  -4.134
  234   2HA   GLY  35          2HA       GLY  35   6.825  -9.639  -2.556
  235    H    ILE  36           H        ILE  36   5.171  -8.794  -5.669
  236    HA   ILE  36           HA       ILE  36   2.764  -8.159  -4.752
  237    HB   ILE  36           HB       ILE  36   3.201  -7.964  -7.037
  238   2HG1  ILE  36          2HG1      ILE  36   1.217  -8.707  -8.019
  239   1HG2  ILE  36          1HG2      ILE  36   3.882 -10.878  -6.908
  240   2HG2  ILE  36          2HG2      ILE  36   3.332 -10.173  -8.446
  241   3HG2  ILE  36          3HG2      ILE  36   4.778  -9.524  -7.636
  242   1HD1  ILE  36          1HD1      ILE  36   1.872 -11.212  -6.671
  243   2HD1  ILE  36          2HD1      ILE  36   0.179 -10.757  -6.368
  244   3HD1  ILE  36          3HD1      ILE  36   0.769 -10.928  -8.039
  245    H    GLU  37           H        GLU  37   4.139 -11.445  -4.880
  246    HA   GLU  37           HA       GLU  37   1.736 -12.779  -4.423
  247   2HB   GLU  37          2HB       GLU  37   4.041 -14.142  -3.257
  248   2HG   GLU  37          2HG       GLU  37   2.709 -14.646  -5.946
  249    H    LYS  38           H        LYS  38   4.496 -12.343  -2.085
  250    HA   LYS  38           HA       LYS  38   2.989 -12.981   0.155
  251   2HB   LYS  38          2HB       LYS  38   4.866 -12.332   1.403
  252   2HG   LYS  38          2HG       LYS  38   6.485 -12.632  -1.053
  253   2HD   LYS  38          2HD       LYS  38   6.715 -13.361   1.591
  254   2HE   LYS  38          2HE       LYS  38   6.368 -16.025   0.228
  255   1HZ   LYS  38          1HZ       LYS  38   7.248 -16.089   2.355
  256   2HZ   LYS  38          2HZ       LYS  38   6.228 -14.960   2.949
  257   3HZ   LYS  38          3HZ       LYS  38   5.674 -16.454   2.594
  258    H    VAL  39           H        VAL  39   3.411  -9.927  -1.638
  259    HA   VAL  39           HA       VAL  39   2.247  -8.313   0.386
  260    HB   VAL  39           HB       VAL  39   2.725  -7.911  -2.571
  261   1HG1  VAL  39          1HG1      VAL  39   2.524  -5.423  -1.854
  262   2HG1  VAL  39          2HG1      VAL  39   1.036  -6.360  -2.129
  263   3HG1  VAL  39          3HG1      VAL  39   1.605  -6.062  -0.469
  264   1HG2  VAL  39          1HG2      VAL  39   4.389  -6.208  -1.181
  265   2HG2  VAL  39          2HG2      VAL  39   4.381  -7.663  -0.156
  266   3HG2  VAL  39          3HG2      VAL  39   4.855  -7.783  -1.867
  267    H    ALA  40           H        ALA  40   1.058 -10.223  -2.389
  268    HA   ALA  40           HA       ALA  40  -1.499  -9.102  -2.519
  269   1HB   ALA  40          1HB       ALA  40  -0.951 -10.395  -4.361
  270   2HB   ALA  40          2HB       ALA  40  -0.168 -11.656  -3.379
  271   3HB   ALA  40          3HB       ALA  40  -1.944 -11.555  -3.446
  272    H    GLU  41           H        GLU  41  -0.112 -11.821  -0.589
  273    HA   GLU  41           HA       GLU  41  -2.578 -12.548   0.513
  274   2HB   GLU  41          2HB       GLU  41   0.234 -13.006   1.603
  275   2HG   GLU  41          2HG       GLU  41  -2.479 -14.261   2.164
  276    H    GLN  42           H        GLN  42   0.146 -10.461   1.664
  277    HA   GLN  42           HA       GLN  42  -1.032  -9.927   4.137
  278   2HB   GLN  42          2HB       GLN  42   0.706  -7.785   3.112
  279   2HG   GLN  42          2HG       GLN  42   0.786  -9.846   5.349
  280   1HE2  GLN  42          1HE2      GLN  42   2.700 -10.533   5.891
  281   2HE2  GLN  42          2HE2      GLN  42   4.199  -9.669   5.798
  282    H    VAL  43           H        VAL  43  -1.257  -8.411   0.901
  283    HA   VAL  43           HA       VAL  43  -2.584  -6.078   1.803
  284    HB   VAL  43           HB       VAL  43  -2.178  -7.443  -0.846
  285   1HG1  VAL  43          1HG1      VAL  43  -4.368  -6.469  -1.056
  286   2HG1  VAL  43          2HG1      VAL  43  -3.822  -4.952  -0.302
  287   3HG1  VAL  43          3HG1      VAL  43  -3.211  -5.419  -1.908
  288   1HG2  VAL  43          1HG2      VAL  43  -1.319  -4.668  -0.017
  289   2HG2  VAL  43          2HG2      VAL  43  -0.361  -6.108   0.402
  290   3HG2  VAL  43          3HG2      VAL  43  -0.663  -5.706  -1.305
  291    H    MET  44           H        MET  44  -3.643  -9.278   0.510
  292    HA   MET  44           HA       MET  44  -6.324  -8.665   0.350
  293   2HB   MET  44          2HB       MET  44  -5.085 -11.365   1.114
  294   2HG   MET  44          2HG       MET  44  -7.261 -11.213  -0.899
  295   1HE   MET  44          1HE       MET  44  -9.177 -13.135   1.875
  296   2HE   MET  44          2HE       MET  44  -7.782 -13.383   2.952
  297   3HE   MET  44          3HE       MET  44  -8.211 -11.741   2.417
  298    H    LYS  45           H        LYS  45  -4.322  -9.850   3.098
  299    HA   LYS  45           HA       LYS  45  -6.627 -10.122   4.793
  300   2HB   LYS  45          2HB       LYS  45  -4.272 -10.179   6.337
  301   2HG   LYS  45          2HG       LYS  45  -5.565 -12.587   5.005
  302   2HD   LYS  45          2HD       LYS  45  -4.220 -11.990   7.664
  303   2HE   LYS  45          2HE       LYS  45  -6.170 -14.228   6.972
  304   1HZ   LYS  45          1HZ       LYS  45  -5.230 -14.888   9.313
  305   2HZ   LYS  45          2HZ       LYS  45  -4.582 -15.472   7.933
  306   3HZ   LYS  45          3HZ       LYS  45  -3.863 -14.228   8.709
  307    H    ALA  46           H        ALA  46  -4.397  -7.615   3.808
  308    HA   ALA  46           HA       ALA  46  -4.712  -6.027   6.160
  309   1HB   ALA  46          1HB       ALA  46  -3.667  -5.460   3.358
  310   2HB   ALA  46          2HB       ALA  46  -3.605  -4.296   4.703
  311   3HB   ALA  46          3HB       ALA  46  -2.708  -5.829   4.812
  312    H    ASP  47           H        ASP  47  -6.019  -5.932   2.772
  313    HA   ASP  47           HA       ASP  47  -7.542  -3.721   3.012
  314   2HB   ASP  47          2HB       ASP  47  -8.626  -6.198   1.635
  315    H    ALA  48           H        ALA  48  -8.023  -6.997   4.326
  316    HA   ALA  48           HA       ALA  48  -9.500  -7.859   5.728
  317   1HB   ALA  48          1HB       ALA  48  -9.049  -5.964   7.158
  318   2HB   ALA  48          2HB       ALA  48 -10.137  -4.924   6.209
  319   3HB   ALA  48          3HB       ALA  48 -10.806  -6.257   7.181
  320    H    ASN  49           H        ASN  49 -11.513  -5.024   4.729
  321    HA   ASN  49           HA       ASN  49 -13.743  -6.541   4.284
  322   2HB   ASN  49          2HB       ASN  49 -13.340  -4.094   2.574
  323   1HD2  ASN  49          1HD2      ASN  49 -14.937  -4.236   5.665
  324   2HD2  ASN  49          2HD2      ASN  49 -16.573  -4.319   5.103
  325    H    GLY  50           H        GLY  50 -10.916  -5.803   2.256
  326   1HA   GLY  50          1HA       GLY  50 -10.216  -6.754   0.328
  327   2HA   GLY  50          2HA       GLY  50 -11.615  -7.808   0.344
  328    H    ASP  51           H        ASP  51 -11.206  -4.192   0.205
  329    HA   ASP  51           HA       ASP  51 -11.818  -3.909  -2.429
  330   2HB   ASP  51          2HB       ASP  51 -14.317  -3.125  -0.972
  331    H    GLY  52           H        GLY  52 -10.049  -2.668  -0.724
  332   1HA   GLY  52          1HA       GLY  52 -10.924   0.089  -0.783
  333   2HA   GLY  52          2HA       GLY  52 -10.663  -0.554   0.826
  334    H    TYR  53           H        TYR  53  -9.151   1.523  -0.817
  335    HA   TYR  53           HA       TYR  53  -6.570   0.185  -1.103
  336   2HB   TYR  53          2HB       TYR  53  -7.165   1.618  -2.962
  337    HD1  TYR  53           HD1      TYR  53  -8.980   2.741  -3.847
  338    HD2  TYR  53           HD2      TYR  53  -7.567   3.859   0.033
  339    HE1  TYR  53           HE1      TYR  53 -10.799   4.510  -3.687
  340    HE2  TYR  53           HE2      TYR  53  -9.390   5.626   0.180
  341    HH   TYR  53           HH       TYR  53 -10.792   6.878  -1.175
  342    H    ILE  54           H        ILE  54  -4.612   1.505  -0.328
  343    HA   ILE  54           HA       ILE  54  -5.221   2.423   2.383
  344    HB   ILE  54           HB       ILE  54  -3.178   0.760   1.196
  345   2HG1  ILE  54          2HG1      ILE  54  -4.298   1.346   3.917
  346   1HG2  ILE  54          1HG2      ILE  54  -2.258   3.184   2.752
  347   2HG2  ILE  54          2HG2      ILE  54  -1.303   1.687   2.619
  348   3HG2  ILE  54          3HG2      ILE  54  -1.709   2.616   1.157
  349   1HD1  ILE  54          1HD1      ILE  54  -3.760  -1.360   2.692
  350   2HD1  ILE  54          2HD1      ILE  54  -5.074  -0.853   3.782
  351   3HD1  ILE  54          3HD1      ILE  54  -5.112  -0.386   2.064
  352    H    THR  55           H        THR  55  -5.531   4.587   2.484
  353    HA   THR  55           HA       THR  55  -3.930   6.270   0.696
  354    HB   THR  55           HB       THR  55  -5.669   7.945   1.159
  355    HG1  THR  55           HG1      THR  55  -7.305   7.277   2.788
  356   1HG2  THR  55          1HG2      THR  55  -6.289   5.390   0.038
  357   2HG2  THR  55          2HG2      THR  55  -7.625   5.779   1.147
  358   3HG2  THR  55          3HG2      THR  55  -7.206   6.900  -0.171
  359    H    LEU  56           H        LEU  56  -2.522   7.841   1.407
  360    HA   LEU  56           HA       LEU  56  -1.004   7.408   3.563
  361   2HB   LEU  56          2HB       LEU  56  -0.339   8.964   1.926
  362    HG   LEU  56           HG       LEU  56  -2.929  10.072   2.068
  363   1HD1  LEU  56          1HD1      LEU  56  -2.826  12.208   2.834
  364   2HD1  LEU  56          2HD1      LEU  56  -1.612  11.481   3.914
  365   3HD1  LEU  56          3HD1      LEU  56  -1.092  12.380   2.469
  366   1HD2  LEU  56          1HD2      LEU  56  -0.455  10.437   0.458
  367   2HD2  LEU  56          2HD2      LEU  56  -2.109  10.011  -0.044
  368   3HD2  LEU  56          3HD2      LEU  56  -1.702  11.701   0.334
  369    H    GLU  57           H        GLU  57  -4.106   9.231   3.491
  370    HA   GLU  57           HA       GLU  57  -3.964  10.168   6.081
  371   2HB   GLU  57          2HB       GLU  57  -5.594  11.051   4.518
  372   2HG   GLU  57          2HG       GLU  57  -6.954   8.318   4.625
  373    H    GLU  58           H        GLU  58  -5.438   7.136   4.741
  374    HA   GLU  58           HA       GLU  58  -6.207   6.258   7.317
  375   2HB   GLU  58          2HB       GLU  58  -6.787   4.137   6.124
  376   2HG   GLU  58          2HG       GLU  58  -7.874   5.846   4.081
  377    H    PHE  59           H        PHE  59  -3.529   5.502   5.010
  378    HA   PHE  59           HA       PHE  59  -2.392   3.388   6.296
  379   2HB   PHE  59          2HB       PHE  59  -0.701   5.690   5.251
  380    HD1  PHE  59           HD1      PHE  59  -1.661   2.108   4.985
  381    HD2  PHE  59           HD2      PHE  59   1.363   5.024   4.383
  382    HE1  PHE  59           HE1      PHE  59  -0.010   0.290   4.468
  383    HE2  PHE  59           HE2      PHE  59   3.013   3.206   3.866
  384    HZ   PHE  59           HZ       PHE  59   2.308   0.861   3.914
  385    H    LEU  60           H        LEU  60  -2.204   6.877   7.109
  386    HA   LEU  60           HA       LEU  60  -0.200   6.415   9.116
  387   2HB   LEU  60          2HB       LEU  60  -1.847   8.854   8.433
  388    HG   LEU  60           HG       LEU  60   0.570   8.523  10.214
  389   1HD1  LEU  60          1HD1      LEU  60  -0.326  10.960   8.677
  390   2HD1  LEU  60          2HD1      LEU  60   0.629  11.074  10.175
  391   3HD1  LEU  60          3HD1      LEU  60   1.291  10.221   8.759
  392   1HD2  LEU  60          1HD2      LEU  60  -1.131   8.571  11.695
  393   2HD2  LEU  60          2HD2      LEU  60  -1.019  10.328  11.432
  394   3HD2  LEU  60          3HD2      LEU  60  -2.246   9.374  10.563
  395    H    GLU  61           H        GLU  61  -3.616   7.669   9.202
  396    HA   GLU  61           HA       GLU  61  -3.995   7.636  11.836
  397   2HB   GLU  61          2HB       GLU  61  -6.304   6.451  10.439
  398   2HG   GLU  61          2HG       GLU  61  -5.604   8.824  12.115
  399    H    PHE  62           H        PHE  62  -3.903   4.802   9.652
  400    HA   PHE  62           HA       PHE  62  -4.825   2.991  11.650
  401   2HB   PHE  62          2HB       PHE  62  -3.168   2.450   9.124
  402    HD1  PHE  62           HD1      PHE  62  -2.783   0.472  10.971
  403    HD2  PHE  62           HD2      PHE  62  -6.320   1.143   8.723
  404    HE1  PHE  62           HE1      PHE  62  -3.431  -1.935  11.270
  405    HE2  PHE  62           HE2      PHE  62  -6.967  -1.263   9.022
  406    HZ   PHE  62           HZ       PHE  62  -5.514  -2.774  10.291
  407    H    SER  63           H        SER  63  -1.655   4.137  10.422
  408    HA   SER  63           HA       SER  63  -0.089   2.173  11.515
  409   2HB   SER  63          2HB       SER  63   0.313   5.045  10.732
  410    HG   SER  63           HG       SER  63   2.734   4.193  11.298
  411    H    LEU  64           H        LEU  64  -1.205   5.325  12.925
  412    HA   LEU  64           HA       LEU  64   0.034   4.728  15.444
  413   2HB   LEU  64          2HB       LEU  64  -1.978   6.885  15.217
  414    HG   LEU  64           HG       LEU  64   0.395   6.384  16.751
  415   1HD1  LEU  64          1HD1      LEU  64   1.584   8.485  16.508
  416   2HD1  LEU  64          2HD1      LEU  64   1.579   7.600  14.964
  417   3HD1  LEU  64          3HD1      LEU  64   0.488   8.986  15.199
  418   1HD2  LEU  64          1HD2      LEU  64  -1.693   7.153  17.696
  419   2HD2  LEU  64          2HD2      LEU  64  -0.411   8.344  18.025
  420   3HD2  LEU  64          3HD2      LEU  64  -1.610   8.657  16.747
  Start of MODEL   11
    1   1H    SER   1          HT1       SER   1   6.381   9.192  14.383
    2    HA   SER   1           HA       SER   1   5.522   8.875  12.357
    3   2HB   SER   1          2HB       SER   1   7.386  11.228  11.806
    4    HG   SER   1           HG       SER   1   5.406  10.054  10.323
    5    H    ASP   2           H        ASP   2   9.063   8.883  12.477
    6    HA   ASP   2           HA       ASP   2   9.499   8.240   9.802
    7   2HB   ASP   2          2HB       ASP   2  11.750   7.613  10.538
    8    H    ASP   3           H        ASP   3   7.954   6.544  12.316
    9    HA   ASP   3           HA       ASP   3   8.962   3.959  11.672
   10   2HB   ASP   3          2HB       ASP   3   7.175   3.183  13.251
   11    H    LYS   4           H        LYS   4   6.468   6.178  10.595
   12    HA   LYS   4           HA       LYS   4   5.179   4.004   9.096
   13   2HB   LYS   4          2HB       LYS   4   3.647   4.953  10.714
   14   2HG   LYS   4          2HG       LYS   4   4.095   7.634   9.326
   15   2HD   LYS   4          2HD       LYS   4   2.137   6.564  11.251
   16   2HE   LYS   4          2HE       LYS   4   3.391   9.258  11.924
   17   1HZ   LYS   4          1HZ       LYS   4   1.474   7.475  13.253
   18   2HZ   LYS   4          2HZ       LYS   4   2.139   8.782  13.972
   19   3HZ   LYS   4          3HZ       LYS   4   1.182   8.969  12.663
   20    H    ILE   5           H        ILE   5   7.281   6.674   8.969
   21    HA   ILE   5           HA       ILE   5   6.445   7.776   6.498
   22    HB   ILE   5           HB       ILE   5   8.059   8.589   8.475
   23   2HG1  ILE   5          2HG1      ILE   5   8.613  10.466   7.100
   24   1HG2  ILE   5          1HG2      ILE   5   9.913   7.506   6.340
   25   2HG2  ILE   5          2HG2      ILE   5  10.386   8.694   7.577
   26   3HG2  ILE   5          3HG2      ILE   5   9.860   7.065   8.064
   27   1HD1  ILE   5          1HD1      ILE   5   9.510   9.100   5.154
   28   2HD1  ILE   5          2HD1      ILE   5   7.823   8.786   4.679
   29   3HD1  ILE   5          3HD1      ILE   5   8.454  10.450   4.677
   30    H    GLY   6           H        GLY   6   8.319   4.953   7.485
   31   1HA   GLY   6          1HA       GLY   6   9.825   4.537   5.164
   32   2HA   GLY   6          2HA       GLY   6   9.304   3.314   6.306
   33    H    LEU   7           H        LEU   7   6.773   2.811   6.142
   34    HA   LEU   7           HA       LEU   7   6.370   1.713   3.610
   35   2HB   LEU   7          2HB       LEU   7   3.946   2.115   5.172
   36    HG   LEU   7           HG       LEU   7   4.227   0.230   3.602
   37   1HD1  LEU   7          1HD1      LEU   7   6.561  -0.366   5.368
   38   2HD1  LEU   7          2HD1      LEU   7   5.656  -1.726   4.661
   39   3HD1  LEU   7          3HD1      LEU   7   6.391  -0.500   3.600
   40   1HD2  LEU   7          1HD2      LEU   7   3.026  -1.283   4.862
   41   2HD2  LEU   7          2HD2      LEU   7   3.993  -0.998   6.329
   42   3HD2  LEU   7          3HD2      LEU   7   2.807   0.217   5.796
   43    H    LYS   8           H        LYS   8   4.971   4.649   5.204
   44    HA   LYS   8           HA       LYS   8   3.241   5.390   3.219
   45   2HB   LYS   8          2HB       LYS   8   4.901   7.340   4.827
   46   2HG   LYS   8          2HG       LYS   8   1.950   7.583   4.492
   47   2HD   LYS   8          2HD       LYS   8   3.226   9.913   3.621
   48   2HE   LYS   8          2HE       LYS   8   2.068   8.934   6.224
   49   1HZ   LYS   8          1HZ       LYS   8   2.752  11.659   6.312
   50   2HZ   LYS   8          2HZ       LYS   8   3.039  10.492   7.417
   51   3HZ   LYS   8          3HZ       LYS   8   4.103  10.747   6.204
   52    H    VAL   9           H        VAL   9   6.797   5.672   3.367
   53    HA   VAL   9           HA       VAL   9   7.014   7.425   1.163
   54    HB   VAL   9           HB       VAL   9   8.769   5.793   2.885
   55   1HG1  VAL   9          1HG1      VAL   9  10.697   6.394   1.187
   56   2HG1  VAL   9          2HG1      VAL   9   9.774   4.883   1.020
   57   3HG1  VAL   9          3HG1      VAL   9   9.387   6.281  -0.011
   58   1HG2  VAL   9          1HG2      VAL   9   9.985   8.204   2.009
   59   2HG2  VAL   9          2HG2      VAL   9   8.260   8.555   2.272
   60   3HG2  VAL   9          3HG2      VAL   9   9.236   7.858   3.586
   61    H    LEU  10           H        LEU  10   7.774   3.875   1.437
   62    HA   LEU  10           HA       LEU  10   8.110   3.400  -1.228
   63   2HB   LEU  10          2HB       LEU  10   6.790   1.158  -0.078
   64    HG   LEU  10           HG       LEU  10   8.970   1.332  -1.520
   65   1HD1  LEU  10          1HD1      LEU  10  10.913   0.847   0.253
   66   2HD1  LEU  10          2HD1      LEU  10  10.556   2.476  -0.370
   67   3HD1  LEU  10          3HD1      LEU  10   9.933   1.975   1.220
   68   1HD2  LEU  10          1HD2      LEU  10   8.060  -0.786  -1.059
   69   2HD2  LEU  10          2HD2      LEU  10   9.749  -0.872  -0.505
   70   3HD2  LEU  10          3HD2      LEU  10   8.434  -0.668   0.677
   71    H    TYR  11           H        TYR  11   5.023   3.095   0.666
   72    HA   TYR  11           HA       TYR  11   3.399   2.411  -1.452
   73   2HB   TYR  11          2HB       TYR  11   3.230   3.814   1.230
   74    HD1  TYR  11           HD1      TYR  11   1.193   3.501  -1.853
   75    HD2  TYR  11           HD2      TYR  11   1.295   4.842   2.210
   76    HE1  TYR  11           HE1      TYR  11  -0.986   4.763  -2.207
   77    HE2  TYR  11           HE2      TYR  11  -0.884   6.098   1.841
   78    HH   TYR  11           HH       TYR  11  -2.013   6.968  -0.940
   79    H    LYS  12           H        LYS  12   4.064   5.727  -0.112
   80    HA   LYS  12           HA       LYS  12   2.493   7.092  -1.936
   81   2HB   LYS  12          2HB       LYS  12   4.941   7.895  -0.349
   82   2HG   LYS  12          2HG       LYS  12   3.774  10.251  -0.830
   83   2HD   LYS  12          2HD       LYS  12   5.330   9.344  -3.213
   84   2HE   LYS  12          2HE       LYS  12   6.749  11.237  -1.660
   85   1HZ   LYS  12          1HZ       LYS  12   6.220  11.136  -4.092
   86   2HZ   LYS  12          2HZ       LYS  12   4.808  11.883  -3.753
   87   3HZ   LYS  12          3HZ       LYS  12   6.224  12.627  -3.427
   88    H    LEU  13           H        LEU  13   5.793   5.752  -2.194
   89    HA   LEU  13           HA       LEU  13   6.267   7.090  -4.693
   90   2HB   LEU  13          2HB       LEU  13   8.006   4.849  -4.049
   91    HG   LEU  13           HG       LEU  13   9.765   6.326  -4.337
   92   1HD1  LEU  13          1HD1      LEU  13   8.002   6.175  -6.300
   93   2HD1  LEU  13          2HD1      LEU  13   7.852   7.921  -5.988
   94   3HD1  LEU  13          3HD1      LEU  13   9.434   7.225  -6.412
   95   1HD2  LEU  13          1HD2      LEU  13   8.519   8.940  -4.231
   96   2HD2  LEU  13          2HD2      LEU  13   8.281   8.047  -2.710
   97   3HD2  LEU  13          3HD2      LEU  13   9.925   8.306  -3.342
   98    H    MET  14           H        MET  14   4.717   4.172  -3.554
   99    HA   MET  14           HA       MET  14   5.083   2.761  -5.993
  100   2HB   MET  14          2HB       MET  14   2.830   2.086  -4.108
  101   2HG   MET  14          2HG       MET  14   4.421   0.722  -6.024
  102   1HE   MET  14          1HE       MET  14   7.208  -0.308  -5.667
  103   2HE   MET  14          2HE       MET  14   6.603   1.346  -5.408
  104   3HE   MET  14          3HE       MET  14   7.656   0.583  -4.192
  105    H    ASP  15           H        ASP  15   2.173   4.183  -4.321
  106    HA   ASP  15           HA       ASP  15   0.362   3.770  -6.249
  107   2HB   ASP  15          2HB       ASP  15   0.766   6.164  -4.412
  108    H    VAL  16           H        VAL  16   1.074   4.050  -8.435
  109    HA   VAL  16           HA       VAL  16   1.888   6.786  -9.138
  110    HB   VAL  16           HB       VAL  16   2.582   4.141 -10.431
  111   1HG1  VAL  16          1HG1      VAL  16   3.755   6.812 -11.198
  112   2HG1  VAL  16          2HG1      VAL  16   3.750   5.281 -12.104
  113   3HG1  VAL  16          3HG1      VAL  16   2.249   6.223 -11.941
  114   1HG2  VAL  16          1HG2      VAL  16   4.332   4.080  -9.052
  115   2HG2  VAL  16          2HG2      VAL  16   4.873   5.662  -9.666
  116   3HG2  VAL  16          3HG2      VAL  16   3.778   5.577  -8.265
  117    H    ASP  17           H        ASP  17  -0.393   4.149  -9.535
  118    HA   ASP  17           HA       ASP  17  -1.432   4.348 -11.918
  119   2HB   ASP  17          2HB       ASP  17  -2.878   4.417  -9.240
  120    H    GLY  18           H        GLY  18  -2.005   6.715  -9.220
  121   1HA   GLY  18          1HA       GLY  18  -2.009   9.059  -9.730
  122   2HA   GLY  18          2HA       GLY  18  -2.825   8.709 -11.241
  123    H    ASP  19           H        ASP  19  -3.465   7.403  -7.920
  124    HA   ASP  19           HA       ASP  19  -6.106   8.618  -8.154
  125   2HB   ASP  19          2HB       ASP  19  -6.734   6.645  -6.536
  126    H    GLY  20           H        GLY  20  -3.597   7.261  -5.887
  127   1HA   GLY  20          1HA       GLY  20  -2.722   8.879  -4.249
  128   2HA   GLY  20          2HA       GLY  20  -4.384   9.320  -3.911
  129    H    LYS  21           H        LYS  21  -5.308   6.430  -4.271
  130    HA   LYS  21           HA       LYS  21  -4.520   5.574  -1.594
  131   2HB   LYS  21          2HB       LYS  21  -6.587   4.618  -1.383
  132   2HG   LYS  21          2HG       LYS  21  -6.625   7.151  -2.436
  133   2HD   LYS  21          2HD       LYS  21  -8.725   5.707  -4.068
  134   2HE   LYS  21          2HE       LYS  21  -7.327   8.120  -5.088
  135   1HZ   LYS  21          1HZ       LYS  21  -9.244   7.804  -6.161
  136   2HZ   LYS  21          2HZ       LYS  21  -9.969   7.004  -4.937
  137   3HZ   LYS  21          3HZ       LYS  21  -9.905   8.636  -4.921
  138    H    LEU  22           H        LEU  22  -3.943   3.327  -1.192
  139    HA   LEU  22           HA       LEU  22  -2.492   2.242  -3.476
  140   2HB   LEU  22          2HB       LEU  22  -2.259   1.161  -0.706
  141    HG   LEU  22           HG       LEU  22  -0.814   0.152  -2.362
  142   1HD1  LEU  22          1HD1      LEU  22   1.019   2.030  -3.189
  143   2HD1  LEU  22          2HD1      LEU  22  -0.320   1.379  -4.162
  144   3HD1  LEU  22          3HD1      LEU  22  -0.521   2.916  -3.289
  145   1HD2  LEU  22          1HD2      LEU  22   1.451   1.336  -1.342
  146   2HD2  LEU  22          2HD2      LEU  22   0.221   1.717  -0.113
  147   3HD2  LEU  22          3HD2      LEU  22   0.522   0.025  -0.577
  148    H    THR  23           H        THR  23  -4.117   1.244  -4.701
  149    HA   THR  23           HA       THR  23  -5.821  -0.681  -3.321
  150    HB   THR  23           HB       THR  23  -7.257  -0.358  -5.133
  151    HG1  THR  23           HG1      THR  23  -4.808   0.225  -6.646
  152   1HG2  THR  23          1HG2      THR  23  -7.376   1.908  -5.563
  153   2HG2  THR  23          2HG2      THR  23  -6.054   2.020  -4.377
  154   3HG2  THR  23          3HG2      THR  23  -5.687   1.979  -6.118
  155    H    LYS  24           H        LYS  24  -6.137  -2.861  -4.325
  156    HA   LYS  24           HA       LYS  24  -3.679  -4.184  -4.387
  157   2HB   LYS  24          2HB       LYS  24  -6.142  -5.420  -5.558
  158   2HG   LYS  24          2HG       LYS  24  -3.808  -6.207  -3.799
  159   2HD   LYS  24          2HD       LYS  24  -6.206  -6.864  -2.831
  160   2HE   LYS  24          2HE       LYS  24  -5.881  -9.318  -4.494
  161   1HZ   LYS  24          1HZ       LYS  24  -8.184  -9.338  -4.238
  162   2HZ   LYS  24          2HZ       LYS  24  -7.621  -8.812  -2.799
  163   3HZ   LYS  24          3HZ       LYS  24  -8.274  -7.753  -3.857
  164    H    GLU  25           H        GLU  25  -6.082  -3.670  -7.071
  165    HA   GLU  25           HA       GLU  25  -4.736  -4.709  -9.097
  166   2HB   GLU  25          2HB       GLU  25  -5.919  -1.968  -9.531
  167   2HG   GLU  25          2HG       GLU  25  -6.529  -4.633 -10.876
  168    H    GLU  26           H        GLU  26  -4.300  -1.283  -7.951
  169    HA   GLU  26           HA       GLU  26  -2.226  -0.747  -9.715
  170   2HB   GLU  26          2HB       GLU  26  -2.875   0.525  -7.020
  171   2HG   GLU  26          2HG       GLU  26  -1.284   1.590  -9.402
  172    H    VAL  27           H        VAL  27  -2.344  -2.253  -6.486
  173    HA   VAL  27           HA       VAL  27   0.425  -2.039  -5.961
  174    HB   VAL  27           HB       VAL  27  -1.964  -3.279  -4.802
  175   1HG1  VAL  27          1HG1      VAL  27   0.674  -4.715  -4.749
  176   2HG1  VAL  27          2HG1      VAL  27  -0.369  -4.738  -3.306
  177   3HG1  VAL  27          3HG1      VAL  27  -0.978  -5.369  -4.855
  178   1HG2  VAL  27          1HG2      VAL  27   0.307  -2.587  -3.064
  179   2HG2  VAL  27          2HG2      VAL  27  -0.207  -1.266  -4.142
  180   3HG2  VAL  27          3HG2      VAL  27  -1.380  -2.017  -3.034
  181    H    THR  28           H        THR  28  -1.518  -5.025  -6.687
  182    HA   THR  28           HA       THR  28   0.567  -6.674  -7.274
  183    HB   THR  28           HB       THR  28  -2.311  -6.445  -8.222
  184    HG1  THR  28           HG1      THR  28  -1.628  -7.182  -6.041
  185   1HG2  THR  28          1HG2      THR  28  -1.272  -9.089  -8.672
  186   2HG2  THR  28          2HG2      THR  28  -1.993  -7.990  -9.872
  187   3HG2  THR  28          3HG2      THR  28  -0.238  -7.958  -9.576
  188    H    SER  29           H        SER  29  -0.747  -4.049  -9.270
  189    HA   SER  29           HA       SER  29   0.417  -4.899 -11.650
  190   2HB   SER  29          2HB       SER  29  -0.271  -2.076 -10.721
  191    HG   SER  29           HG       SER  29   0.889  -1.864 -12.630
  192    H    PHE  30           H        PHE  30   1.473  -2.489  -9.141
  193    HA   PHE  30           HA       PHE  30   4.005  -2.141 -10.433
  194   2HB   PHE  30          2HB       PHE  30   3.718  -1.333  -7.591
  195    HD1  PHE  30           HD1      PHE  30   5.653  -0.036  -7.622
  196    HD2  PHE  30           HD2      PHE  30   2.775   0.489 -10.695
  197    HE1  PHE  30           HE1      PHE  30   6.918   1.962  -8.464
  198    HE2  PHE  30           HE2      PHE  30   4.038   2.487 -11.538
  199    HZ   PHE  30           HZ       PHE  30   6.095   3.200 -10.413
  200    H    PHE  31           H        PHE  31   2.644  -4.081  -7.766
  201    HA   PHE  31           HA       PHE  31   5.228  -4.806  -6.765
  202   2HB   PHE  31          2HB       PHE  31   3.490  -6.580  -5.659
  203    HD1  PHE  31           HD1      PHE  31   4.981  -5.833  -3.860
  204    HD2  PHE  31           HD2      PHE  31   1.958  -3.286  -5.404
  205    HE1  PHE  31           HE1      PHE  31   5.210  -4.344  -1.853
  206    HE2  PHE  31           HE2      PHE  31   2.188  -1.797  -3.396
  207    HZ   PHE  31           HZ       PHE  31   3.811  -2.343  -1.645
  208    H    LYS  32           H        LYS  32   3.115  -5.853  -9.333
  209    HA   LYS  32           HA       LYS  32   3.439  -8.533  -9.458
  210   2HB   LYS  32          2HB       LYS  32   3.800  -7.588 -12.099
  211   2HG   LYS  32          2HG       LYS  32   1.041  -7.754 -11.607
  212   2HD   LYS  32          2HD       LYS  32   2.966  -9.138 -13.065
  213   2HE   LYS  32          2HE       LYS  32   2.237 -10.727 -10.690
  214   1HZ   LYS  32          1HZ       LYS  32   0.678 -11.590 -12.369
  215   2HZ   LYS  32          2HZ       LYS  32   1.942 -11.980 -13.328
  216   3HZ   LYS  32          3HZ       LYS  32   1.770 -12.698 -11.871
  217    H    LYS  33           H        LYS  33   5.904  -6.031  -9.813
  218    HA   LYS  33           HA       LYS  33   7.799  -7.871 -10.970
  219   2HB   LYS  33          2HB       LYS  33   8.084  -5.009 -10.008
  220   2HG   LYS  33          2HG       LYS  33   9.937  -6.352 -11.966
  221   2HD   LYS  33          2HD       LYS  33  10.347  -4.282  -9.756
  222   2HE   LYS  33          2HE       LYS  33  12.167  -4.762 -12.133
  223   1HZ   LYS  33          1HZ       LYS  33  12.461  -3.642  -9.437
  224   2HZ   LYS  33          2HZ       LYS  33  13.732  -3.936 -10.421
  225   3HZ   LYS  33          3HZ       LYS  33  12.592  -2.852 -10.860
  226    H    HIS  34           H        HIS  34   7.086  -6.316  -7.801
  227    HA   HIS  34           HA       HIS  34   9.372  -7.456  -6.567
  228   2HB   HIS  34          2HB       HIS  34   8.377  -6.604  -4.493
  229    HD1  HIS  34           HD1      HIS  34   7.095  -4.423  -7.367
  230    HD2  HIS  34           HD2      HIS  34  10.175  -4.528  -4.522
  231    HE1  HIS  34           HE1      HIS  34   8.338  -2.205  -7.576
  232    H    GLY  35           H        GLY  35   7.107  -8.058  -4.276
  233   1HA   GLY  35          1HA       GLY  35   6.937 -10.906  -5.036
  234   2HA   GLY  35          2HA       GLY  35   6.997 -10.278  -3.401
  235    H    ILE  36           H        ILE  36   5.040  -9.152  -6.240
  236    HA   ILE  36           HA       ILE  36   2.795  -8.446  -5.051
  237    HB   ILE  36           HB       ILE  36   3.109  -8.309  -7.418
  238   2HG1  ILE  36          2HG1      ILE  36   0.906  -8.493  -8.035
  239   1HG2  ILE  36          1HG2      ILE  36   2.541 -10.562  -8.708
  240   2HG2  ILE  36          2HG2      ILE  36   4.201 -10.137  -8.229
  241   3HG2  ILE  36          3HG2      ILE  36   3.258 -11.284  -7.247
  242   1HD1  ILE  36          1HD1      ILE  36   0.247 -10.676  -8.285
  243   2HD1  ILE  36          2HD1      ILE  36   1.146 -11.214  -6.846
  244   3HD1  ILE  36          3HD1      ILE  36  -0.448 -10.444  -6.663
  245    H    GLU  37           H        GLU  37   3.894 -11.827  -5.489
  246    HA   GLU  37           HA       GLU  37   1.630 -13.160  -4.897
  247   2HB   GLU  37          2HB       GLU  37   3.395 -14.569  -5.412
  248   2HG   GLU  37          2HG       GLU  37   5.489 -14.080  -3.551
  249    H    LYS  38           H        LYS  38   4.174 -12.514  -2.375
  250    HA   LYS  38           HA       LYS  38   2.445 -13.019  -0.246
  251   2HB   LYS  38          2HB       LYS  38   5.018 -11.415  -0.326
  252   2HG   LYS  38          2HG       LYS  38   3.215 -11.584   1.771
  253   2HD   LYS  38          2HD       LYS  38   4.856 -13.192   3.259
  254   2HE   LYS  38          2HE       LYS  38   2.866 -14.916   2.070
  255   1HZ   LYS  38          1HZ       LYS  38   2.515 -13.298   4.474
  256   2HZ   LYS  38          2HZ       LYS  38   2.025 -14.831   4.192
  257   3HZ   LYS  38          3HZ       LYS  38   3.607 -14.513   4.450
  258    H    VAL  39           H        VAL  39   3.649  -9.861  -1.583
  259    HA   VAL  39           HA       VAL  39   2.326  -8.150   0.020
  260    HB   VAL  39           HB       VAL  39   2.877  -8.077  -2.941
  261   1HG1  VAL  39          1HG1      VAL  39   1.285  -6.205  -1.314
  262   2HG1  VAL  39          2HG1      VAL  39   2.610  -5.442  -2.225
  263   3HG1  VAL  39          3HG1      VAL  39   1.379  -6.401  -3.080
  264   1HG2  VAL  39          1HG2      VAL  39   4.269  -6.160  -1.252
  265   2HG2  VAL  39          2HG2      VAL  39   4.516  -7.830  -0.685
  266   3HG2  VAL  39          3HG2      VAL  39   4.924  -7.389  -2.361
  267    H    ALA  40           H        ALA  40   0.974  -9.933  -2.818
  268    HA   ALA  40           HA       ALA  40  -1.538  -8.747  -2.776
  269   1HB   ALA  40          1HB       ALA  40  -0.891 -10.015  -4.678
  270   2HB   ALA  40          2HB       ALA  40  -0.484 -11.440  -3.692
  271   3HB   ALA  40          3HB       ALA  40  -2.186 -10.966  -3.911
  272    H    GLU  41           H        GLU  41  -0.253 -11.683  -1.090
  273    HA   GLU  41           HA       GLU  41  -2.698 -12.310   0.093
  274   2HB   GLU  41          2HB       GLU  41   0.067 -12.999   1.167
  275   2HG   GLU  41          2HG       GLU  41  -2.725 -13.994   1.572
  276    H    GLN  42           H        GLN  42   0.184 -10.440   1.225
  277    HA   GLN  42           HA       GLN  42  -0.796 -10.012   3.789
  278   2HB   GLN  42          2HB       GLN  42   0.917  -7.866   2.670
  279   2HG   GLN  42          2HG       GLN  42   0.705  -9.612   5.064
  280   1HE2  GLN  42          1HE2      GLN  42   2.548  -9.591   6.595
  281   2HE2  GLN  42          2HE2      GLN  42   4.128  -9.983   6.002
  282    H    VAL  43           H        VAL  43  -1.063  -8.128   0.722
  283    HA   VAL  43           HA       VAL  43  -2.355  -5.918   1.885
  284    HB   VAL  43           HB       VAL  43  -1.999  -7.023  -0.876
  285   1HG1  VAL  43          1HG1      VAL  43  -4.158  -6.193  -1.188
  286   2HG1  VAL  43          2HG1      VAL  43  -3.920  -4.855  -0.039
  287   3HG1  VAL  43          3HG1      VAL  43  -3.129  -4.811  -1.633
  288   1HG2  VAL  43          1HG2      VAL  43  -0.528  -5.265  -1.189
  289   2HG2  VAL  43          2HG2      VAL  43  -1.321  -4.240   0.032
  290   3HG2  VAL  43          3HG2      VAL  43  -0.301  -5.607   0.544
  291    H    MET  44           H        MET  44  -3.484  -9.036   0.504
  292    HA   MET  44           HA       MET  44  -6.164  -8.393   0.397
  293   2HB   MET  44          2HB       MET  44  -4.893 -11.109   1.054
  294   2HG   MET  44          2HG       MET  44  -6.920 -11.672  -0.648
  295   1HE   MET  44          1HE       MET  44  -9.250 -10.569   1.218
  296   2HE   MET  44          2HE       MET  44  -9.692 -12.286   1.381
  297   3HE   MET  44          3HE       MET  44  -9.347 -11.312   2.832
  298    H    LYS  45           H        LYS  45  -4.138  -9.708   3.075
  299    HA   LYS  45           HA       LYS  45  -6.420  -9.958   4.804
  300   2HB   LYS  45          2HB       LYS  45  -4.086 -10.162   6.332
  301   2HG   LYS  45          2HG       LYS  45  -4.535 -12.716   5.773
  302   2HD   LYS  45          2HD       LYS  45  -6.976 -11.350   6.889
  303   2HE   LYS  45          2HE       LYS  45  -5.282 -13.776   7.437
  304   1HZ   LYS  45          1HZ       LYS  45  -7.074 -13.026   9.536
  305   2HZ   LYS  45          2HZ       LYS  45  -5.603 -13.730   9.623
  306   3HZ   LYS  45          3HZ       LYS  45  -5.724 -12.110   9.459
  307    H    ALA  46           H        ALA  46  -4.202  -7.471   3.805
  308    HA   ALA  46           HA       ALA  46  -4.343  -5.956   6.219
  309   1HB   ALA  46          1HB       ALA  46  -2.490  -5.904   4.484
  310   2HB   ALA  46          2HB       ALA  46  -3.613  -5.027   3.418
  311   3HB   ALA  46          3HB       ALA  46  -3.114  -4.309   4.968
  312    H    ASP  47           H        ASP  47  -5.960  -5.883   2.980
  313    HA   ASP  47           HA       ASP  47  -7.347  -3.657   3.070
  314   2HB   ASP  47          2HB       ASP  47  -9.176  -5.900   2.503
  315    H    ALA  48           H        ALA  48  -8.775  -6.777   4.324
  316    HA   ALA  48           HA       ALA  48 -10.061  -7.227   6.073
  317   1HB   ALA  48          1HB       ALA  48  -8.484  -4.967   6.947
  318   2HB   ALA  48          2HB       ALA  48 -10.125  -4.848   7.625
  319   3HB   ALA  48          3HB       ALA  48  -9.148  -6.308   7.908
  320    H    ASN  49           H        ASN  49 -10.515  -3.698   5.300
  321    HA   ASN  49           HA       ASN  49 -13.044  -3.347   5.848
  322   2HB   ASN  49          2HB       ASN  49 -11.614  -2.567   3.258
  323   1HD2  ASN  49          1HD2      ASN  49 -12.437  -0.243   2.712
  324   2HD2  ASN  49          2HD2      ASN  49 -14.148  -0.089   2.496
  325    H    GLY  50           H        GLY  50 -11.845  -4.794   2.721
  326   1HA   GLY  50          1HA       GLY  50 -13.505  -6.900   2.457
  327   2HA   GLY  50          2HA       GLY  50 -14.514  -5.571   1.923
  328    H    ASP  51           H        ASP  51 -12.519  -3.873   0.731
  329    HA   ASP  51           HA       ASP  51 -10.767  -5.124  -0.927
  330   2HB   ASP  51          2HB       ASP  51 -12.401  -4.642  -3.078
  331    H    GLY  52           H        GLY  52 -10.207  -2.895   0.193
  332   1HA   GLY  52          1HA       GLY  52 -11.046  -0.664  -1.562
  333   2HA   GLY  52          2HA       GLY  52 -10.676  -0.507   0.144
  334    H    TYR  53           H        TYR  53  -8.937   0.953  -0.064
  335    HA   TYR  53           HA       TYR  53  -6.504  -0.267  -1.133
  336   2HB   TYR  53          2HB       TYR  53  -7.027   1.199  -2.935
  337    HD1  TYR  53           HD1      TYR  53  -7.950   3.202   0.114
  338    HD2  TYR  53           HD2      TYR  53  -8.837   2.218  -3.955
  339    HE1  TYR  53           HE1      TYR  53  -9.979   4.733   0.178
  340    HE2  TYR  53           HE2      TYR  53 -10.862   3.753  -3.876
  341    HH   TYR  53           HH       TYR  53 -11.324   6.035  -2.117
  342    H    ILE  54           H        ILE  54  -4.515   1.047  -0.426
  343    HA   ILE  54           HA       ILE  54  -4.974   1.845   2.346
  344    HB   ILE  54           HB       ILE  54  -2.960   0.333   0.945
  345   2HG1  ILE  54          2HG1      ILE  54  -3.872   0.781   3.765
  346   1HG2  ILE  54          1HG2      ILE  54  -1.525   2.174   0.836
  347   2HG2  ILE  54          2HG2      ILE  54  -2.041   2.794   2.421
  348   3HG2  ILE  54          3HG2      ILE  54  -1.037   1.328   2.323
  349   1HD1  ILE  54          1HD1      ILE  54  -5.082  -1.008   3.013
  350   2HD1  ILE  54          2HD1      ILE  54  -3.967  -1.312   1.660
  351   3HD1  ILE  54          3HD1      ILE  54  -3.578  -1.917   3.288
  352    H    THR  55           H        THR  55  -5.513   3.984   2.433
  353    HA   THR  55           HA       THR  55  -4.049   5.825   0.696
  354    HB   THR  55           HB       THR  55  -5.882   7.330   1.156
  355    HG1  THR  55           HG1      THR  55  -6.657   5.359   3.179
  356   1HG2  THR  55          1HG2      THR  55  -7.253   5.997  -0.107
  357   2HG2  THR  55          2HG2      THR  55  -6.535   4.515   0.569
  358   3HG2  THR  55          3HG2      THR  55  -7.858   5.337   1.431
  359    H    LEU  56           H        LEU  56  -2.884   7.622   1.469
  360    HA   LEU  56           HA       LEU  56  -1.166   7.179   3.497
  361   2HB   LEU  56          2HB       LEU  56  -0.634   9.503   3.421
  362    HG   LEU  56           HG       LEU  56  -1.036   8.055   0.974
  363   1HD1  LEU  56          1HD1      LEU  56  -2.656   9.651   0.270
  364   2HD1  LEU  56          2HD1      LEU  56  -1.657  11.013   0.830
  365   3HD1  LEU  56          3HD1      LEU  56  -1.134  10.040  -0.567
  366   1HD2  LEU  56          1HD2      LEU  56   0.883  10.054   2.094
  367   2HD2  LEU  56          2HD2      LEU  56   1.160   8.397   1.505
  368   3HD2  LEU  56          3HD2      LEU  56   0.916   9.725   0.345
  369    H    GLU  57           H        GLU  57  -4.476   8.545   3.706
  370    HA   GLU  57           HA       GLU  57  -4.241   9.303   6.385
  371   2HB   GLU  57          2HB       GLU  57  -5.976  10.267   4.995
  372   2HG   GLU  57          2HG       GLU  57  -6.995   7.400   4.733
  373    H    GLU  58           H        GLU  58  -5.394   6.312   4.730
  374    HA   GLU  58           HA       GLU  58  -6.173   5.112   7.171
  375   2HB   GLU  58          2HB       GLU  58  -5.743   3.974   4.376
  376   2HG   GLU  58          2HG       GLU  58  -6.574   2.710   6.979
  377    H    PHE  59           H        PHE  59  -3.213   5.334   5.242
  378    HA   PHE  59           HA       PHE  59  -1.957   3.090   6.475
  379   2HB   PHE  59          2HB       PHE  59  -0.331   5.321   5.307
  380    HD1  PHE  59           HD1      PHE  59  -1.601   1.848   4.995
  381    HD2  PHE  59           HD2      PHE  59   1.570   4.545   4.170
  382    HE1  PHE  59           HE1      PHE  59  -0.160  -0.070   4.257
  383    HE2  PHE  59           HE2      PHE  59   3.010   2.627   3.432
  384    HZ   PHE  59           HZ       PHE  59   2.128   0.342   3.484
  385    H    LEU  60           H        LEU  60  -2.316   6.552   7.160
  386    HA   LEU  60           HA       LEU  60  -0.118   6.587   9.008
  387   2HB   LEU  60          2HB       LEU  60  -2.305   8.603   8.479
  388    HG   LEU  60           HG       LEU  60  -0.211   8.630  10.437
  389   1HD1  LEU  60          1HD1      LEU  60   0.198  10.499   8.102
  390   2HD1  LEU  60          2HD1      LEU  60   0.780  10.873   9.741
  391   3HD1  LEU  60          3HD1      LEU  60   1.376   9.425   8.894
  392   1HD2  LEU  60          1HD2      LEU  60  -1.288  11.137  10.460
  393   2HD2  LEU  60          2HD2      LEU  60  -2.565  10.208   9.638
  394   3HD2  LEU  60          3HD2      LEU  60  -1.999   9.710  11.251
  395    H    GLU  61           H        GLU  61  -3.725   6.464   9.134
  396    HA   GLU  61           HA       GLU  61  -3.744   6.479  11.954
  397   2HB   GLU  61          2HB       GLU  61  -6.025   5.377  10.311
  398   2HG   GLU  61          2HG       GLU  61  -5.952   5.859  12.912
  399    H    PHE  62           H        PHE  62  -3.451   4.016   9.427
  400    HA   PHE  62           HA       PHE  62  -4.293   1.800  10.882
  401   2HB   PHE  62          2HB       PHE  62  -2.458   2.458   8.556
  402    HD1  PHE  62           HD1      PHE  62  -0.341   1.427   9.340
  403    HD2  PHE  62           HD2      PHE  62  -3.894  -0.849   8.893
  404    HE1  PHE  62           HE1      PHE  62   1.010  -0.688   9.372
  405    HE2  PHE  62           HE2      PHE  62  -2.542  -2.965   8.925
  406    HZ   PHE  62           HZ       PHE  62  -0.107  -2.859   9.164
  407    H    SER  63           H        SER  63  -1.093   3.450  10.646
  408    HA   SER  63           HA       SER  63   0.151   1.458  12.241
  409   2HB   SER  63          2HB       SER  63   1.856   3.636  12.294
  410    HG   SER  63           HG       SER  63   2.787   1.892  11.396
  411    H    LEU  64           H        LEU  64  -1.375   4.657  12.707
  412    HA   LEU  64           HA       LEU  64  -0.440   4.885  15.412
  413   2HB   LEU  64          2HB       LEU  64  -2.502   6.482  13.888
  414    HG   LEU  64           HG       LEU  64  -2.016   6.648  16.587
  415   1HD1  LEU  64          1HD1      LEU  64   0.349   7.503  15.684
  416   2HD1  LEU  64          2HD1      LEU  64  -0.542   9.042  15.614
  417   3HD1  LEU  64          3HD1      LEU  64  -0.417   8.156  17.151
  418   1HD2  LEU  64          1HD2      LEU  64  -2.766   8.959  14.777
  419   2HD2  LEU  64          2HD2      LEU  64  -3.868   7.656  15.283
  420   3HD2  LEU  64          3HD2      LEU  64  -3.177   8.759  16.497
  Start of MODEL   12
    1   1H    SER   1          HT1       SER   1   5.124   9.603   8.170
    2    HA   SER   1           HA       SER   1   6.052  11.116  10.054
    3   2HB   SER   1          2HB       SER   1   4.130   9.296  11.560
    4    HG   SER   1           HG       SER   1   5.424  11.717  12.453
    5    H    ASP   2           H        ASP   2   7.888  10.139  11.073
    6    HA   ASP   2           HA       ASP   2   9.036   8.062   9.948
    7   2HB   ASP   2          2HB       ASP   2   9.113   9.020  12.824
    8    H    ASP   3           H        ASP   3   6.426   8.001  12.367
    9    HA   ASP   3           HA       ASP   3   6.594   5.594  13.481
   10   2HB   ASP   3          2HB       ASP   3   3.884   6.021  12.415
   11    H    LYS   4           H        LYS   4   5.741   6.415  10.103
   12    HA   LYS   4           HA       LYS   4   6.249   3.749   9.258
   13   2HB   LYS   4          2HB       LYS   4   3.490   4.502   8.485
   14   2HG   LYS   4          2HG       LYS   4   4.999   2.318   8.055
   15   2HD   LYS   4          2HD       LYS   4   3.459   1.562  10.573
   16   2HE   LYS   4          2HE       LYS   4   5.814   0.066   9.430
   17   1HZ   LYS   4          1HZ       LYS   4   4.659  -0.582  11.465
   18   2HZ   LYS   4          2HZ       LYS   4   3.276  -0.803  10.625
   19   3HZ   LYS   4          3HZ       LYS   4   4.578  -1.741  10.317
   20    H    ILE   5           H        ILE   5   7.189   6.546   8.898
   21    HA   ILE   5           HA       ILE   5   6.251   7.588   6.486
   22    HB   ILE   5           HB       ILE   5   7.842   8.481   8.417
   23   2HG1  ILE   5          2HG1      ILE   5   8.439  10.355   6.907
   24   1HG2  ILE   5          1HG2      ILE   5  10.152   8.748   7.529
   25   2HG2  ILE   5          2HG2      ILE   5   9.734   7.074   7.965
   26   3HG2  ILE   5          3HG2      ILE   5   9.756   7.569   6.256
   27   1HD1  ILE   5          1HD1      ILE   5   7.084   8.681   4.749
   28   2HD1  ILE   5          2HD1      ILE   5   7.801  10.300   4.568
   29   3HD1  ILE   5          3HD1      ILE   5   8.848   8.892   4.866
   30    H    GLY   6           H        GLY   6   8.339   4.861   7.248
   31   1HA   GLY   6          1HA       GLY   6   9.727   4.705   4.788
   32   2HA   GLY   6          2HA       GLY   6   9.488   3.420   5.955
   33    H    LEU   7           H        LEU   7   7.109   2.506   6.025
   34    HA   LEU   7           HA       LEU   7   6.574   1.311   3.625
   35   2HB   LEU   7          2HB       LEU   7   4.162   1.602   5.158
   36    HG   LEU   7           HG       LEU   7   4.839  -0.451   3.903
   37   1HD1  LEU   7          1HD1      LEU   7   6.371  -1.866   5.732
   38   2HD1  LEU   7          2HD1      LEU   7   6.920  -1.191   4.180
   39   3HD1  LEU   7          3HD1      LEU   7   7.138  -0.261   5.682
   40   1HD2  LEU   7          1HD2      LEU   7   3.756  -1.926   5.351
   41   2HD2  LEU   7          2HD2      LEU   7   4.414  -1.139   6.806
   42   3HD2  LEU   7          3HD2      LEU   7   3.156  -0.325   5.846
   43    H    LYS   8           H        LYS   8   5.442   4.451   4.911
   44    HA   LYS   8           HA       LYS   8   3.495   4.841   2.894
   45   2HB   LYS   8          2HB       LYS   8   4.836   7.066   4.413
   46   2HG   LYS   8          2HG       LYS   8   1.905   6.498   3.794
   47   2HD   LYS   8          2HD       LYS   8   2.779   8.212   5.627
   48   2HE   LYS   8          2HE       LYS   8   2.852  10.079   3.257
   49   1HZ   LYS   8          1HZ       LYS   8   2.810  10.778   5.612
   50   2HZ   LYS   8          2HZ       LYS   8   4.284  10.106   5.818
   51   3HZ   LYS   8          3HZ       LYS   8   4.091  11.350   4.777
   52    H    VAL   9           H        VAL   9   6.959   5.756   3.303
   53    HA   VAL   9           HA       VAL   9   7.200   7.418   1.128
   54    HB   VAL   9           HB       VAL   9   9.009   5.595   2.649
   55   1HG1  VAL   9          1HG1      VAL   9   9.560   6.699  -0.073
   56   2HG1  VAL   9          2HG1      VAL   9  10.863   6.780   1.137
   57   3HG1  VAL   9          3HG1      VAL   9  10.148   5.209   0.702
   58   1HG2  VAL   9          1HG2      VAL   9   8.190   8.209   2.955
   59   2HG2  VAL   9          2HG2      VAL   9   9.638   7.484   3.694
   60   3HG2  VAL   9          3HG2      VAL   9   9.777   8.393   2.170
   61    H    LEU  10           H        LEU  10   7.973   3.861   1.208
   62    HA   LEU  10           HA       LEU  10   8.349   3.583  -1.500
   63   2HB   LEU  10          2HB       LEU  10   7.143   1.218  -0.474
   64    HG   LEU  10           HG       LEU  10   9.315   1.617  -1.923
   65   1HD1  LEU  10          1HD1      LEU  10  10.815   1.017   0.558
   66   2HD1  LEU  10          2HD1      LEU  10  11.293   1.936  -0.890
   67   3HD1  LEU  10          3HD1      LEU  10  10.276   2.701   0.354
   68   1HD2  LEU  10          1HD2      LEU  10   9.409  -0.607  -1.917
   69   2HD2  LEU  10          2HD2      LEU  10   9.856  -0.666  -0.195
   70   3HD2  LEU  10          3HD2      LEU  10   8.143  -0.561  -0.667
   71    H    TYR  11           H        TYR  11   5.302   3.214   0.427
   72    HA   TYR  11           HA       TYR  11   3.648   2.480  -1.650
   73   2HB   TYR  11          2HB       TYR  11   3.537   3.867   1.028
   74    HD1  TYR  11           HD1      TYR  11   1.760   5.096   2.005
   75    HD2  TYR  11           HD2      TYR  11   1.356   3.592  -1.980
   76    HE1  TYR  11           HE1      TYR  11  -0.359   6.467   1.694
   77    HE2  TYR  11           HE2      TYR  11  -0.760   4.968  -2.277
   78    HH   TYR  11           HH       TYR  11  -2.493   5.931  -0.855
   79    H    LYS  12           H        LYS  12   4.101   5.834  -0.306
   80    HA   LYS  12           HA       LYS  12   2.574   7.116  -2.201
   81   2HB   LYS  12          2HB       LYS  12   3.898   7.864   0.030
   82   2HG   LYS  12          2HG       LYS  12   6.062   7.922  -1.402
   83   2HD   LYS  12          2HD       LYS  12   4.404   9.523  -3.060
   84   2HE   LYS  12          2HE       LYS  12   4.987  11.397  -1.406
   85   1HZ   LYS  12          1HZ       LYS  12   7.316  10.546  -1.171
   86   2HZ   LYS  12          2HZ       LYS  12   7.638  11.198  -2.634
   87   3HZ   LYS  12          3HZ       LYS  12   7.170  12.156  -1.397
   88    H    LEU  13           H        LEU  13   5.907   5.872  -2.367
   89    HA   LEU  13           HA       LEU  13   6.454   7.244  -4.824
   90   2HB   LEU  13          2HB       LEU  13   8.095   4.930  -3.989
   91    HG   LEU  13           HG       LEU  13   9.959   6.350  -4.361
   92   1HD1  LEU  13          1HD1      LEU  13   8.259   7.355  -6.590
   93   2HD1  LEU  13          2HD1      LEU  13   9.841   6.540  -6.622
   94   3HD1  LEU  13          3HD1      LEU  13   8.359   5.593  -6.354
   95   1HD2  LEU  13          1HD2      LEU  13   9.943   8.686  -4.569
   96   2HD2  LEU  13          2HD2      LEU  13   8.179   8.745  -4.801
   97   3HD2  LEU  13          3HD2      LEU  13   8.854   8.342  -3.204
   98    H    MET  14           H        MET  14   4.928   4.254  -3.791
   99    HA   MET  14           HA       MET  14   5.337   2.937  -6.269
  100   2HB   MET  14          2HB       MET  14   3.157   2.323  -4.218
  101   2HG   MET  14          2HG       MET  14   4.811   0.106  -5.172
  102   1HE   MET  14          1HE       MET  14   1.917   1.860  -6.605
  103   2HE   MET  14          2HE       MET  14   1.322   0.318  -7.265
  104   3HE   MET  14          3HE       MET  14   0.448   1.113  -5.934
  105    H    ASP  15           H        ASP  15   2.430   4.378  -4.616
  106    HA   ASP  15           HA       ASP  15   0.568   3.975  -6.449
  107   2HB   ASP  15          2HB       ASP  15   1.179   6.484  -4.838
  108    H    VAL  16           H        VAL  16   1.162   4.026  -8.678
  109    HA   VAL  16           HA       VAL  16   2.150   6.615  -9.658
  110    HB   VAL  16           HB       VAL  16   3.668   4.616  -9.837
  111   1HG1  VAL  16          1HG1      VAL  16   3.174   2.765 -11.087
  112   2HG1  VAL  16          2HG1      VAL  16   1.530   3.178 -10.545
  113   3HG1  VAL  16          3HG1      VAL  16   2.074   3.650 -12.172
  114   1HG2  VAL  16          1HG2      VAL  16   4.215   5.062 -12.270
  115   2HG2  VAL  16          2HG2      VAL  16   2.764   6.092 -12.326
  116   3HG2  VAL  16          3HG2      VAL  16   4.106   6.503 -11.229
  117    H    ASP  17           H        ASP  17  -0.265   4.024  -9.871
  118    HA   ASP  17           HA       ASP  17  -1.394   4.331 -12.228
  119   2HB   ASP  17          2HB       ASP  17  -2.777   4.260  -9.511
  120    H    GLY  18           H        GLY  18  -1.303   6.701  -9.574
  121   1HA   GLY  18          1HA       GLY  18  -1.590   8.969  -9.765
  122   2HA   GLY  18          2HA       GLY  18  -2.330   8.766 -11.340
  123    H    ASP  19           H        ASP  19  -2.946   7.910  -7.858
  124    HA   ASP  19           HA       ASP  19  -5.650   8.871  -8.275
  125   2HB   ASP  19          2HB       ASP  19  -6.428   6.934  -6.776
  126    H    GLY  20           H        GLY  20  -3.106   7.634  -5.998
  127   1HA   GLY  20          1HA       GLY  20  -2.304   9.192  -4.319
  128   2HA   GLY  20          2HA       GLY  20  -3.963   9.686  -4.045
  129    H    LYS  21           H        LYS  21  -4.970   6.827  -4.376
  130    HA   LYS  21           HA       LYS  21  -4.291   5.997  -1.662
  131   2HB   LYS  21          2HB       LYS  21  -6.389   5.095  -1.504
  132   2HG   LYS  21          2HG       LYS  21  -6.320   7.622  -2.554
  133   2HD   LYS  21          2HD       LYS  21  -8.419   6.296  -4.270
  134   2HE   LYS  21          2HE       LYS  21  -7.282   8.371  -5.685
  135   1HZ   LYS  21          1HZ       LYS  21  -9.502   8.514  -5.451
  136   2HZ   LYS  21          2HZ       LYS  21  -9.512   8.144  -3.860
  137   3HZ   LYS  21          3HZ       LYS  21  -9.107   9.650  -4.346
  138    H    LEU  22           H        LEU  22  -3.808   3.735  -1.202
  139    HA   LEU  22           HA       LEU  22  -2.307   2.567  -3.412
  140   2HB   LEU  22          2HB       LEU  22  -2.228   1.533  -0.613
  141    HG   LEU  22           HG       LEU  22  -0.748   0.381  -2.074
  142   1HD1  LEU  22          1HD1      LEU  22   1.088   1.960  -3.226
  143   2HD1  LEU  22          2HD1      LEU  22  -0.426   1.480  -4.029
  144   3HD1  LEU  22          3HD1      LEU  22  -0.300   3.074  -3.248
  145   1HD2  LEU  22          1HD2      LEU  22   0.635   0.454  -0.327
  146   2HD2  LEU  22          2HD2      LEU  22   1.533   1.697  -1.231
  147   3HD2  LEU  22          3HD2      LEU  22   0.311   2.180  -0.031
  148    H    THR  23           H        THR  23  -3.903   1.599  -4.693
  149    HA   THR  23           HA       THR  23  -5.741  -0.236  -3.363
  150    HB   THR  23           HB       THR  23  -7.071   0.099  -5.249
  151    HG1  THR  23           HG1      THR  23  -6.058  -0.392  -7.157
  152   1HG2  THR  23          1HG2      THR  23  -7.078   2.357  -5.748
  153   2HG2  THR  23          2HG2      THR  23  -5.827   2.449  -4.485
  154   3HG2  THR  23          3HG2      THR  23  -5.356   2.352  -6.199
  155    H    LYS  24           H        LYS  24  -6.082  -2.428  -4.320
  156    HA   LYS  24           HA       LYS  24  -3.656  -3.823  -4.257
  157   2HB   LYS  24          2HB       LYS  24  -6.243  -4.909  -5.368
  158   2HG   LYS  24          2HG       LYS  24  -4.480  -6.278  -3.356
  159   2HD   LYS  24          2HD       LYS  24  -5.023  -8.205  -5.006
  160   2HE   LYS  24          2HE       LYS  24  -6.332  -7.404  -2.798
  161   1HZ   LYS  24          1HZ       LYS  24  -8.651  -7.117  -3.404
  162   2HZ   LYS  24          2HZ       LYS  24  -7.741  -5.876  -3.949
  163   3HZ   LYS  24          3HZ       LYS  24  -8.256  -7.028  -4.986
  164    H    GLU  25           H        GLU  25  -5.995  -3.418  -7.017
  165    HA   GLU  25           HA       GLU  25  -4.606  -4.538  -8.962
  166   2HB   GLU  25          2HB       GLU  25  -5.799  -1.807  -9.487
  167   2HG   GLU  25          2HG       GLU  25  -6.506  -4.367 -10.914
  168    H    GLU  26           H        GLU  26  -4.152  -1.090  -7.901
  169    HA   GLU  26           HA       GLU  26  -2.052  -0.619  -9.661
  170   2HB   GLU  26          2HB       GLU  26  -2.739   0.732  -7.013
  171   2HG   GLU  26          2HG       GLU  26  -1.085   1.726  -9.382
  172    H    VAL  27           H        VAL  27  -2.225  -1.995  -6.369
  173    HA   VAL  27           HA       VAL  27   0.536  -1.803  -5.822
  174    HB   VAL  27           HB       VAL  27  -1.880  -2.980  -4.657
  175   1HG1  VAL  27          1HG1      VAL  27  -0.921  -5.085  -4.634
  176   2HG1  VAL  27          2HG1      VAL  27   0.737  -4.449  -4.525
  177   3HG1  VAL  27          3HG1      VAL  27  -0.324  -4.414  -3.098
  178   1HG2  VAL  27          1HG2      VAL  27   0.422  -2.238  -2.955
  179   2HG2  VAL  27          2HG2      VAL  27  -0.169  -0.950  -4.033
  180   3HG2  VAL  27          3HG2      VAL  27  -1.280  -1.723  -2.878
  181    H    THR  28           H        THR  28  -1.430  -4.789  -6.492
  182    HA   THR  28           HA       THR  28   0.640  -6.482  -6.990
  183    HB   THR  28           HB       THR  28  -1.663  -7.251  -6.820
  184    HG1  THR  28           HG1      THR  28  -0.014  -8.171  -8.473
  185   1HG2  THR  28          1HG2      THR  28  -3.144  -5.671  -7.733
  186   2HG2  THR  28          2HG2      THR  28  -2.072  -5.319  -9.110
  187   3HG2  THR  28          3HG2      THR  28  -3.038  -6.814  -9.093
  188    H    SER  29           H        SER  29  -0.663  -3.954  -9.140
  189    HA   SER  29           HA       SER  29   0.554  -4.869 -11.450
  190   2HB   SER  29          2HB       SER  29  -0.212  -2.060 -10.551
  191    HG   SER  29           HG       SER  29   1.239  -1.825 -12.298
  192    H    PHE  30           H        PHE  30   1.627  -2.440  -8.968
  193    HA   PHE  30           HA       PHE  30   4.182  -2.162 -10.238
  194   2HB   PHE  30          2HB       PHE  30   3.562  -1.340  -7.384
  195    HD1  PHE  30           HD1      PHE  30   3.343   1.277  -9.759
  196    HD2  PHE  30           HD2      PHE  30   6.132  -1.148  -7.674
  197    HE1  PHE  30           HE1      PHE  30   5.139   2.981 -10.179
  198    HE2  PHE  30           HE2      PHE  30   7.927   0.556  -8.095
  199    HZ   PHE  30           HZ       PHE  30   7.409   2.600  -9.341
  200    H    PHE  31           H        PHE  31   2.744  -4.011  -7.547
  201    HA   PHE  31           HA       PHE  31   5.271  -4.744  -6.448
  202   2HB   PHE  31          2HB       PHE  31   3.456  -6.550  -5.474
  203    HD1  PHE  31           HD1      PHE  31   4.670  -6.061  -3.473
  204    HD2  PHE  31           HD2      PHE  31   2.250  -3.076  -5.275
  205    HE1  PHE  31           HE1      PHE  31   4.868  -4.653  -1.406
  206    HE2  PHE  31           HE2      PHE  31   2.448  -1.667  -3.207
  207    HZ   PHE  31           HZ       PHE  31   3.755  -2.472  -1.297
  208    H    LYS  32           H        LYS  32   3.227  -5.865  -9.068
  209    HA   LYS  32           HA       LYS  32   3.789  -8.554  -9.107
  210   2HB   LYS  32          2HB       LYS  32   3.715  -7.853 -11.771
  211   2HG   LYS  32          2HG       LYS  32   1.634  -8.431  -9.654
  212   2HD   LYS  32          2HD       LYS  32   1.147  -7.151 -12.271
  213   2HE   LYS  32          2HE       LYS  32   0.758  -9.821 -12.484
  214   1HZ   LYS  32          1HZ       LYS  32  -1.479 -10.315 -11.934
  215   2HZ   LYS  32          2HZ       LYS  32  -0.753  -9.780 -10.573
  216   3HZ   LYS  32          3HZ       LYS  32  -1.771  -8.802 -11.394
  217    H    LYS  33           H        LYS  33   5.812  -5.758 -10.014
  218    HA   LYS  33           HA       LYS  33   7.786  -7.300 -11.329
  219   2HB   LYS  33          2HB       LYS  33   8.136  -4.579 -10.051
  220   2HG   LYS  33          2HG       LYS  33   9.576  -6.262 -12.068
  221   2HD   LYS  33          2HD       LYS  33   9.798  -3.266 -12.339
  222   2HE   LYS  33          2HE       LYS  33  10.465  -3.880 -14.639
  223   1HZ   LYS  33          1HZ       LYS  33  12.453  -4.411 -13.890
  224   2HZ   LYS  33          2HZ       LYS  33  11.829  -4.557 -12.388
  225   3HZ   LYS  33          3HZ       LYS  33  11.975  -5.873 -13.343
  226    H    HIS  34           H        HIS  34   7.056  -6.480  -7.957
  227    HA   HIS  34           HA       HIS  34   9.639  -7.517  -7.132
  228   2HB   HIS  34          2HB       HIS  34   9.046  -6.708  -4.924
  229    HD1  HIS  34           HD1      HIS  34  10.701  -5.410  -7.163
  230    HD2  HIS  34           HD2      HIS  34   7.308  -3.631  -5.455
  231    HE1  HIS  34           HE1      HIS  34  10.922  -2.902  -7.579
  232    H    GLY  35           H        GLY  35   7.918  -8.236  -4.525
  233   1HA   GLY  35          1HA       GLY  35   7.311 -10.969  -5.468
  234   2HA   GLY  35          2HA       GLY  35   7.863 -10.540  -3.861
  235    H    ILE  36           H        ILE  36   5.310  -9.066  -5.985
  236    HA   ILE  36           HA       ILE  36   3.533  -8.262  -4.238
  237    HB   ILE  36           HB       ILE  36   3.196  -8.140  -6.613
  238   2HG1  ILE  36          2HG1      ILE  36   0.817  -8.422  -6.695
  239   1HG2  ILE  36          1HG2      ILE  36   3.942 -10.159  -7.508
  240   2HG2  ILE  36          2HG2      ILE  36   2.909 -11.133  -6.434
  241   3HG2  ILE  36          3HG2      ILE  36   2.182 -10.207  -7.768
  242   1HD1  ILE  36          1HD1      ILE  36  -0.331 -10.092  -5.660
  243   2HD1  ILE  36          2HD1      ILE  36   1.260 -10.837  -5.370
  244   3HD1  ILE  36          3HD1      ILE  36   0.513  -9.818  -4.116
  245    H    GLU  37           H        GLU  37   4.105 -11.726  -5.037
  246    HA   GLU  37           HA       GLU  37   2.130 -13.006  -3.925
  247   2HB   GLU  37          2HB       GLU  37   3.852 -14.673  -3.011
  248   2HG   GLU  37          2HG       GLU  37   4.800 -13.863  -5.737
  249    H    LYS  38           H        LYS  38   4.973 -12.151  -1.814
  250    HA   LYS  38           HA       LYS  38   3.831 -12.685   0.582
  251   2HB   LYS  38          2HB       LYS  38   5.662 -10.325   0.102
  252   2HG   LYS  38          2HG       LYS  38   4.677 -10.986   2.445
  253   2HD   LYS  38          2HD       LYS  38   6.926 -12.880   2.748
  254   2HE   LYS  38          2HE       LYS  38   3.964 -12.901   3.497
  255   1HZ   LYS  38          1HZ       LYS  38   5.062 -14.626   5.084
  256   2HZ   LYS  38          2HZ       LYS  38   4.478 -15.080   3.629
  257   3HZ   LYS  38          3HZ       LYS  38   6.082 -14.847   3.828
  258    H    VAL  39           H        VAL  39   3.767  -9.477  -1.124
  259    HA   VAL  39           HA       VAL  39   2.151  -8.211   0.738
  260    HB   VAL  39           HB       VAL  39   2.625  -7.819  -2.213
  261   1HG1  VAL  39          1HG1      VAL  39   0.556  -6.786  -2.052
  262   2HG1  VAL  39          2HG1      VAL  39   0.802  -6.315  -0.353
  263   3HG1  VAL  39          3HG1      VAL  39   1.661  -5.449  -1.650
  264   1HG2  VAL  39          1HG2      VAL  39   4.430  -6.661  -1.586
  265   2HG2  VAL  39          2HG2      VAL  39   3.484  -5.698  -0.427
  266   3HG2  VAL  39          3HG2      VAL  39   4.165  -7.266   0.067
  267    H    ALA  40           H        ALA  40   1.418 -10.550  -1.823
  268    HA   ALA  40           HA       ALA  40  -1.292 -10.014  -2.135
  269   1HB   ALA  40          1HB       ALA  40   0.530 -11.722  -3.230
  270   2HB   ALA  40          2HB       ALA  40  -0.407 -12.850  -2.221
  271   3HB   ALA  40          3HB       ALA  40  -1.229 -11.869  -3.457
  272    H    GLU  41           H        GLU  41   0.455 -12.211   0.159
  273    HA   GLU  41           HA       GLU  41  -1.947 -13.023   1.384
  274   2HB   GLU  41          2HB       GLU  41   0.904 -13.195   2.454
  275   2HG   GLU  41          2HG       GLU  41  -0.548 -15.480   3.163
  276    H    GLN  42           H        GLN  42   0.701 -10.708   2.264
  277    HA   GLN  42           HA       GLN  42  -0.326  -9.999   4.715
  278   2HB   GLN  42          2HB       GLN  42   0.953  -7.734   3.406
  279   2HG   GLN  42          2HG       GLN  42   1.427  -9.620   5.690
  280   1HE2  GLN  42          1HE2      GLN  42   3.185 -10.642   4.283
  281   2HE2  GLN  42          2HE2      GLN  42   4.786 -10.001   4.447
  282    H    VAL  43           H        VAL  43  -0.728  -8.367   1.489
  283    HA   VAL  43           HA       VAL  43  -2.479  -6.401   2.428
  284    HB   VAL  43           HB       VAL  43  -1.109  -6.613   0.247
  285   1HG1  VAL  43          1HG1      VAL  43  -2.461  -8.782  -0.322
  286   2HG1  VAL  43          2HG1      VAL  43  -3.679  -7.637  -0.933
  287   3HG1  VAL  43          3HG1      VAL  43  -2.035  -7.637  -1.617
  288   1HG2  VAL  43          1HG2      VAL  43  -3.523  -5.471  -0.761
  289   2HG2  VAL  43          2HG2      VAL  43  -3.432  -5.115   0.981
  290   3HG2  VAL  43          3HG2      VAL  43  -2.094  -4.644  -0.095
  291    H    MET  44           H        MET  44  -2.952  -9.764   1.293
  292    HA   MET  44           HA       MET  44  -5.638  -9.707   0.859
  293   2HB   MET  44          2HB       MET  44  -5.181 -12.197   2.064
  294   2HG   MET  44          2HG       MET  44  -4.594 -11.156  -0.736
  295   1HE   MET  44          1HE       MET  44  -4.608 -13.623  -2.776
  296   2HE   MET  44          2HE       MET  44  -5.033 -15.106  -1.888
  297   3HE   MET  44          3HE       MET  44  -6.055 -13.656  -1.740
  298    H    LYS  45           H        LYS  45  -3.877 -10.315   3.973
  299    HA   LYS  45           HA       LYS  45  -6.359 -10.468   5.412
  300   2HB   LYS  45          2HB       LYS  45  -4.825 -10.683   7.386
  301   2HG   LYS  45          2HG       LYS  45  -3.712 -12.852   6.458
  302   2HD   LYS  45          2HD       LYS  45  -6.597 -12.169   6.734
  303   2HE   LYS  45          2HE       LYS  45  -6.886 -14.801   6.095
  304   1HZ   LYS  45          1HZ       LYS  45  -7.765 -12.485   5.111
  305   2HZ   LYS  45          2HZ       LYS  45  -7.027 -13.115   3.797
  306   3HZ   LYS  45          3HZ       LYS  45  -8.211 -13.952   4.549
  307    H    ALA  46           H        ALA  46  -4.174  -8.002   4.304
  308    HA   ALA  46           HA       ALA  46  -4.642  -6.141   6.389
  309   1HB   ALA  46          1HB       ALA  46  -3.877  -5.503   3.526
  310   2HB   ALA  46          2HB       ALA  46  -3.424  -4.640   5.014
  311   3HB   ALA  46          3HB       ALA  46  -2.727  -6.241   4.667
  312    H    ASP  47           H        ASP  47  -5.914  -6.438   2.993
  313    HA   ASP  47           HA       ASP  47  -7.893  -4.477   3.582
  314   2HB   ASP  47          2HB       ASP  47  -7.830  -6.316   1.158
  315    H    ALA  48           H        ALA  48  -8.421  -6.282   5.479
  316    HA   ALA  48           HA       ALA  48 -10.420  -8.134   4.384
  317   1HB   ALA  48          1HB       ALA  48  -8.973  -9.479   5.582
  318   2HB   ALA  48          2HB       ALA  48  -8.537  -8.184   6.721
  319   3HB   ALA  48          3HB       ALA  48 -10.099  -9.021   6.880
  320    H    ASN  49           H        ASN  49 -11.935  -6.303   4.128
  321    HA   ASN  49           HA       ASN  49 -13.543  -6.086   6.418
  322   2HB   ASN  49          2HB       ASN  49 -12.502  -3.399   5.441
  323   1HD2  ASN  49          1HD2      ASN  49 -13.442  -1.786   6.463
  324   2HD2  ASN  49          2HD2      ASN  49 -14.477  -1.898   7.847
  325    H    GLY  50           H        GLY  50 -12.501  -4.742   3.228
  326   1HA   GLY  50          1HA       GLY  50 -15.202  -5.067   2.195
  327   2HA   GLY  50          2HA       GLY  50 -14.596  -3.424   2.244
  328    H    ASP  51           H        ASP  51 -12.638  -2.856   1.021
  329    HA   ASP  51           HA       ASP  51 -11.021  -4.348  -0.386
  330   2HB   ASP  51          2HB       ASP  51 -12.516  -5.650  -1.622
  331    H    GLY  52           H        GLY  52 -10.434  -2.004   0.417
  332   1HA   GLY  52          1HA       GLY  52 -11.006  -0.035  -1.716
  333   2HA   GLY  52          2HA       GLY  52 -10.753   0.364  -0.028
  334    H    TYR  53           H        TYR  53  -8.944   1.733  -0.414
  335    HA   TYR  53           HA       TYR  53  -6.522   0.255  -1.184
  336   2HB   TYR  53          2HB       TYR  53  -6.869   1.695  -3.051
  337    HD1  TYR  53           HD1      TYR  53  -8.520   2.845  -4.194
  338    HD2  TYR  53           HD2      TYR  53  -7.803   3.816  -0.089
  339    HE1  TYR  53           HE1      TYR  53 -10.431   4.521  -4.250
  340    HE2  TYR  53           HE2      TYR  53  -9.716   5.489  -0.159
  341    HH   TYR  53           HH       TYR  53 -11.722   5.876  -1.413
  342    H    ILE  54           H        ILE  54  -4.483   1.490  -0.438
  343    HA   ILE  54           HA       ILE  54  -5.007   2.377   2.297
  344    HB   ILE  54           HB       ILE  54  -3.017   0.737   1.004
  345   2HG1  ILE  54          2HG1      ILE  54  -4.020   1.281   3.778
  346   1HG2  ILE  54          1HG2      ILE  54  -1.105   1.658   2.448
  347   2HG2  ILE  54          2HG2      ILE  54  -1.491   2.508   0.932
  348   3HG2  ILE  54          3HG2      ILE  54  -2.040   3.173   2.489
  349   1HD1  ILE  54          1HD1      ILE  54  -4.726  -0.976   3.667
  350   2HD1  ILE  54          2HD1      ILE  54  -5.004  -0.383   2.012
  351   3HD1  ILE  54          3HD1      ILE  54  -3.568  -1.370   2.375
  352    H    THR  55           H        THR  55  -5.418   4.542   2.340
  353    HA   THR  55           HA       THR  55  -3.816   6.267   0.607
  354    HB   THR  55           HB       THR  55  -5.573   7.881   1.004
  355    HG1  THR  55           HG1      THR  55  -7.165   7.178   2.773
  356   1HG2  THR  55          1HG2      THR  55  -7.672   6.029   1.230
  357   2HG2  THR  55          2HG2      THR  55  -6.954   6.590  -0.299
  358   3HG2  THR  55          3HG2      THR  55  -6.375   5.086   0.459
  359    H    LEU  56           H        LEU  56  -2.360   7.774   1.316
  360    HA   LEU  56           HA       LEU  56  -0.838   7.322   3.458
  361   2HB   LEU  56          2HB       LEU  56  -0.045   8.879   1.968
  362    HG   LEU  56           HG       LEU  56  -2.739   9.952   1.894
  363   1HD1  LEU  56          1HD1      LEU  56  -0.793  12.186   1.692
  364   2HD1  LEU  56          2HD1      LEU  56  -2.502  12.184   2.188
  365   3HD1  LEU  56          3HD1      LEU  56  -1.243  11.652   3.329
  366   1HD2  LEU  56          1HD2      LEU  56  -2.285  10.087  -0.292
  367   2HD2  LEU  56          2HD2      LEU  56  -0.765  10.972  -0.023
  368   3HD2  LEU  56          3HD2      LEU  56  -0.796   9.198   0.110
  369    H    GLU  57           H        GLU  57  -3.890   9.246   3.429
  370    HA   GLU  57           HA       GLU  57  -3.721  10.119   6.033
  371   2HB   GLU  57          2HB       GLU  57  -5.337  11.072   4.501
  372   2HG   GLU  57          2HG       GLU  57  -6.704   8.339   4.526
  373    H    GLU  58           H        GLU  58  -5.215   7.125   4.646
  374    HA   GLU  58           HA       GLU  58  -6.035   6.228   7.200
  375   2HB   GLU  58          2HB       GLU  58  -5.774   4.670   4.591
  376   2HG   GLU  58          2HG       GLU  58  -6.472   3.834   7.226
  377    H    PHE  59           H        PHE  59  -3.249   5.659   5.010
  378    HA   PHE  59           HA       PHE  59  -2.154   3.448   6.183
  379   2HB   PHE  59          2HB       PHE  59  -0.361   5.767   5.457
  380    HD1  PHE  59           HD1      PHE  59   0.458   3.222   6.604
  381    HD2  PHE  59           HD2      PHE  59  -0.362   4.212   2.560
  382    HE1  PHE  59           HE1      PHE  59   1.984   1.381   5.844
  383    HE2  PHE  59           HE2      PHE  59   1.165   2.371   1.800
  384    HZ   PHE  59           HZ       PHE  59   2.320   0.977   3.451
  385    H    LEU  60           H        LEU  60  -1.919   6.902   7.192
  386    HA   LEU  60           HA       LEU  60  -0.110   6.245   9.325
  387   2HB   LEU  60          2HB       LEU  60  -1.592   8.820   8.787
  388    HG   LEU  60           HG       LEU  60   0.550   8.070  10.662
  389   1HD1  LEU  60          1HD1      LEU  60   1.555   9.376   8.533
  390   2HD1  LEU  60          2HD1      LEU  60   1.001  10.762   9.503
  391   3HD1  LEU  60          3HD1      LEU  60   2.151   9.595  10.196
  392   1HD2  LEU  60          1HD2      LEU  60  -0.185  10.337  11.618
  393   2HD2  LEU  60          2HD2      LEU  60  -1.467  10.294  10.384
  394   3HD2  LEU  60          3HD2      LEU  60  -1.369   9.009  11.611
  395    H    GLU  61           H        GLU  61  -3.504   7.540   9.123
  396    HA   GLU  61           HA       GLU  61  -4.066   7.439  11.761
  397   2HB   GLU  61          2HB       GLU  61  -6.492   6.754  10.710
  398   2HG   GLU  61          2HG       GLU  61  -6.547   9.294   9.975
  399    H    PHE  62           H        PHE  62  -3.852   4.760   9.428
  400    HA   PHE  62           HA       PHE  62  -5.097   2.882  11.197
  401   2HB   PHE  62          2HB       PHE  62  -3.356   2.637   8.668
  402    HD1  PHE  62           HD1      PHE  62  -6.379   0.927  10.035
  403    HD2  PHE  62           HD2      PHE  62  -2.419   0.527   8.562
  404    HE1  PHE  62           HE1      PHE  62  -6.588  -1.572  10.150
  405    HE2  PHE  62           HE2      PHE  62  -2.629  -1.972   8.677
  406    HZ   PHE  62           HZ       PHE  62  -4.711  -2.991   9.470
  407    H    SER  63           H        SER  63  -1.780   3.933  10.344
  408    HA   SER  63           HA       SER  63  -0.533   1.758  11.605
  409   2HB   SER  63          2HB       SER  63   0.637   4.525  11.093
  410    HG   SER  63           HG       SER  63   1.671   2.102  11.933
  411    H    LEU  64           H        LEU  64  -1.361   5.140  12.581
  412    HA   LEU  64           HA       LEU  64  -0.219   4.764  15.190
  413   2HB   LEU  64          2HB       LEU  64  -1.842   7.001  13.973
  414    HG   LEU  64           HG       LEU  64  -0.681   6.688  16.692
  415   1HD1  LEU  64          1HD1      LEU  64  -0.281   9.195  16.782
  416   2HD1  LEU  64          2HD1      LEU  64   0.942   8.221  15.931
  417   3HD1  LEU  64          3HD1      LEU  64  -0.255   9.157  15.003
  418   1HD2  LEU  64          1HD2      LEU  64  -2.627   7.583  17.362
  419   2HD2  LEU  64          2HD2      LEU  64  -2.612   8.832  16.094
  420   3HD2  LEU  64          3HD2      LEU  64  -3.174   7.187  15.714
  Start of MODEL   13
    1   1H    SER   1          HT1       SER   1  10.796   6.081   9.663
    2    HA   SER   1           HA       SER   1   9.571   5.137  11.317
    3   2HB   SER   1          2HB       SER   1  10.743   7.356  13.019
    4    HG   SER   1           HG       SER   1   9.420   6.538  14.765
    5    H    ASP   2           H        ASP   2   9.202   8.535  12.425
    6    HA   ASP   2           HA       ASP   2   7.420   9.807  12.428
    7   2HB   ASP   2          2HB       ASP   2   6.844   9.479   9.537
    8    H    ASP   3           H        ASP   3   6.764   7.014  12.946
    9    HA   ASP   3           HA       ASP   3   4.848   5.995  13.365
   10   2HB   ASP   3          2HB       ASP   3   3.342   7.229  11.068
   11    H    LYS   4           H        LYS   4   5.181   6.836   9.829
   12    HA   LYS   4           HA       LYS   4   5.961   4.209   9.143
   13   2HB   LYS   4          2HB       LYS   4   3.280   4.854   7.971
   14   2HG   LYS   4          2HG       LYS   4   4.799   2.950   7.185
   15   2HD   LYS   4          2HD       LYS   4   4.017   1.101   9.265
   16   2HE   LYS   4          2HE       LYS   4   6.550   2.058   7.941
   17   1HZ   LYS   4          1HZ       LYS   4   7.752   0.560   9.415
   18   2HZ   LYS   4          2HZ       LYS   4   7.173   1.856  10.220
   19   3HZ   LYS   4          3HZ       LYS   4   6.435   0.406  10.369
   20    H    ILE   5           H        ILE   5   7.457   6.277   8.696
   21    HA   ILE   5           HA       ILE   5   6.734   7.711   6.328
   22    HB   ILE   5           HB       ILE   5   8.043   8.702   8.141
   23   2HG1  ILE   5          2HG1      ILE   5   8.291   9.875   6.155
   24   1HG2  ILE   5          1HG2      ILE   5   9.370   6.382   8.351
   25   2HG2  ILE   5          2HG2      ILE   5  10.529   7.283   7.345
   26   3HG2  ILE   5          3HG2      ILE   5  10.025   7.935   8.923
   27   1HD1  ILE   5          1HD1      ILE   5  10.485  10.671   6.200
   28   2HD1  ILE   5          2HD1      ILE   5  10.413   9.835   7.769
   29   3HD1  ILE   5          3HD1      ILE   5  11.182   9.043   6.373
   30    H    GLY   6           H        GLY   6   8.736   4.869   7.202
   31   1HA   GLY   6          1HA       GLY   6  10.059   4.572   4.742
   32   2HA   GLY   6          2HA       GLY   6   9.764   3.323   5.935
   33    H    LEU   7           H        LEU   7   7.107   2.879   6.046
   34    HA   LEU   7           HA       LEU   7   6.588   1.540   3.640
   35   2HB   LEU   7          2HB       LEU   7   4.315   2.116   5.424
   36    HG   LEU   7           HG       LEU   7   4.209   0.239   3.851
   37   1HD1  LEU   7          1HD1      LEU   7   5.810  -1.753   4.923
   38   2HD1  LEU   7          2HD1      LEU   7   6.092  -0.864   3.407
   39   3HD1  LEU   7          3HD1      LEU   7   6.865  -0.319   4.915
   40   1HD2  LEU   7          1HD2      LEU   7   2.813  -0.594   5.359
   41   2HD2  LEU   7          2HD2      LEU   7   4.170  -1.517   6.049
   42   3HD2  LEU   7          3HD2      LEU   7   3.768   0.093   6.696
   43    H    LYS   8           H        LYS   8   5.350   4.630   5.048
   44    HA   LYS   8           HA       LYS   8   3.496   5.153   3.041
   45   2HB   LYS   8          2HB       LYS   8   5.054   7.036   4.836
   46   2HG   LYS   8          2HG       LYS   8   2.347   7.772   3.875
   47   2HD   LYS   8          2HD       LYS   8   3.540   9.974   3.526
   48   2HE   LYS   8          2HE       LYS   8   3.240   8.513   6.063
   49   1HZ   LYS   8          1HZ       LYS   8   4.670   9.790   7.329
   50   2HZ   LYS   8          2HZ       LYS   8   5.612   9.329   6.077
   51   3HZ   LYS   8          3HZ       LYS   8   5.005  10.844   6.128
   52    H    VAL   9           H        VAL   9   7.033   5.597   3.218
   53    HA   VAL   9           HA       VAL   9   7.253   7.314   1.012
   54    HB   VAL   9           HB       VAL   9   9.050   5.501   2.562
   55   1HG1  VAL   9          1HG1      VAL   9   9.841   5.063   0.339
   56   2HG1  VAL   9          2HG1      VAL   9   9.766   6.790  -0.089
   57   3HG1  VAL   9          3HG1      VAL   9  10.964   6.218   1.096
   58   1HG2  VAL   9          1HG2      VAL   9   8.323   8.021   3.007
   59   2HG2  VAL   9          2HG2      VAL   9   9.965   7.439   3.379
   60   3HG2  VAL   9          3HG2      VAL   9   9.661   8.349   1.879
   61    H    LEU  10           H        LEU  10   7.809   3.726   1.269
   62    HA   LEU  10           HA       LEU  10   8.151   3.299  -1.435
   63   2HB   LEU  10          2HB       LEU  10   7.012   0.979  -0.553
   64    HG   LEU  10           HG       LEU  10   9.606   1.809  -1.117
   65   1HD1  LEU  10          1HD1      LEU  10  11.034   1.107   0.645
   66   2HD1  LEU  10          2HD1      LEU  10   9.858   2.238   1.354
   67   3HD1  LEU  10          3HD1      LEU  10   9.668   0.485   1.602
   68   1HD2  LEU  10          1HD2      LEU  10   8.172  -0.405  -1.481
   69   2HD2  LEU  10          2HD2      LEU  10   9.945  -0.380  -1.630
   70   3HD2  LEU  10          3HD2      LEU  10   9.186  -0.972  -0.133
   71    H    TYR  11           H        TYR  11   5.114   2.920   0.530
   72    HA   TYR  11           HA       TYR  11   3.421   2.281  -1.519
   73   2HB   TYR  11          2HB       TYR  11   3.367   3.691   1.153
   74    HD1  TYR  11           HD1      TYR  11   1.544   4.850   2.179
   75    HD2  TYR  11           HD2      TYR  11   1.211   3.487  -1.862
   76    HE1  TYR  11           HE1      TYR  11  -0.570   6.231   1.879
   77    HE2  TYR  11           HE2      TYR  11  -0.902   4.872  -2.148
   78    HH   TYR  11           HH       TYR  11  -2.153   6.444  -1.274
   79    H    LYS  12           H        LYS  12   4.130   5.616  -0.247
   80    HA   LYS  12           HA       LYS  12   2.540   6.976  -2.038
   81   2HB   LYS  12          2HB       LYS  12   5.040   7.720  -0.522
   82   2HG   LYS  12          2HG       LYS  12   4.076  10.128  -1.111
   83   2HD   LYS  12          2HD       LYS  12   5.500   9.011  -3.482
   84   2HE   LYS  12          2HE       LYS  12   5.900  11.250  -1.465
   85   1HZ   LYS  12          1HZ       LYS  12   7.746  11.057  -3.631
   86   2HZ   LYS  12          2HZ       LYS  12   8.009  11.470  -2.072
   87   3HZ   LYS  12          3HZ       LYS  12   7.950   9.895  -2.501
   88    H    LEU  13           H        LEU  13   5.770   5.523  -2.433
   89    HA   LEU  13           HA       LEU  13   6.184   6.817  -4.963
   90   2HB   LEU  13          2HB       LEU  13   7.781   4.461  -4.117
   91    HG   LEU  13           HG       LEU  13   8.396   7.180  -5.268
   92   1HD1  LEU  13          1HD1      LEU  13   9.916   6.390  -3.268
   93   2HD1  LEU  13          2HD1      LEU  13  10.620   5.326  -4.510
   94   3HD1  LEU  13          3HD1      LEU  13  10.626   7.090  -4.743
   95   1HD2  LEU  13          1HD2      LEU  13   8.047   5.799  -7.053
   96   2HD2  LEU  13          2HD2      LEU  13   9.782   5.512  -6.783
   97   3HD2  LEU  13          3HD2      LEU  13   8.582   4.342  -6.182
   98    H    MET  14           H        MET  14   4.702   3.873  -3.709
   99    HA   MET  14           HA       MET  14   4.867   2.430  -6.111
  100   2HB   MET  14          2HB       MET  14   2.975   1.084  -4.956
  101   2HG   MET  14          2HG       MET  14   4.702   1.058  -2.716
  102   1HE   MET  14          1HE       MET  14   6.417  -2.279  -3.681
  103   2HE   MET  14          2HE       MET  14   6.883  -0.635  -3.181
  104   3HE   MET  14          3HE       MET  14   5.606  -1.506  -2.297
  105    H    ASP  15           H        ASP  15   2.299   4.476  -4.585
  106    HA   ASP  15           HA       ASP  15   0.245   4.041  -6.214
  107   2HB   ASP  15          2HB       ASP  15   1.327   6.640  -5.064
  108    H    VAL  16           H        VAL  16   0.712   3.620  -8.441
  109    HA   VAL  16           HA       VAL  16   1.911   5.870  -9.907
  110    HB   VAL  16           HB       VAL  16   3.241   3.753  -9.787
  111   1HG1  VAL  16          1HG1      VAL  16   1.301   2.193  -9.840
  112   2HG1  VAL  16          2HG1      VAL  16   1.041   2.621 -11.547
  113   3HG1  VAL  16          3HG1      VAL  16   2.545   1.808 -11.053
  114   1HG2  VAL  16          1HG2      VAL  16   2.392   5.169 -12.248
  115   2HG2  VAL  16          2HG2      VAL  16   4.018   4.912 -11.569
  116   3HG2  VAL  16          3HG2      VAL  16   3.227   3.616 -12.501
  117    H    ASP  17           H        ASP  17  -0.688   3.428  -9.665
  118    HA   ASP  17           HA       ASP  17  -1.900   3.515 -11.992
  119   2HB   ASP  17          2HB       ASP  17  -3.097   3.813  -9.210
  120    H    GLY  18           H        GLY  18  -2.536   5.944  -9.337
  121   1HA   GLY  18          1HA       GLY  18  -2.337   8.308 -10.024
  122   2HA   GLY  18          2HA       GLY  18  -3.303   7.896 -11.426
  123    H    ASP  19           H        ASP  19  -3.328   7.996  -7.819
  124    HA   ASP  19           HA       ASP  19  -5.989   8.973  -7.906
  125   2HB   ASP  19          2HB       ASP  19  -7.121   7.213  -6.809
  126    H    GLY  20           H        GLY  20  -3.336   7.420  -5.977
  127   1HA   GLY  20          1HA       GLY  20  -2.122   8.838  -4.439
  128   2HA   GLY  20          2HA       GLY  20  -3.645   9.563  -3.963
  129    H    LYS  21           H        LYS  21  -4.863   6.660  -4.280
  130    HA   LYS  21           HA       LYS  21  -4.168   5.890  -1.551
  131   2HB   LYS  21          2HB       LYS  21  -6.507   6.283  -1.882
  132   2HG   LYS  21          2HG       LYS  21  -7.177   4.136  -3.707
  133   2HD   LYS  21          2HD       LYS  21  -8.604   6.115  -3.169
  134   2HE   LYS  21          2HE       LYS  21  -6.553   7.649  -4.838
  135   1HZ   LYS  21          1HZ       LYS  21  -8.852   8.352  -5.081
  136   2HZ   LYS  21          2HZ       LYS  21  -8.990   8.549  -3.467
  137   3HZ   LYS  21          3HZ       LYS  21  -7.962   9.489  -4.319
  138    H    LEU  22           H        LEU  22  -3.789   3.605  -1.043
  139    HA   LEU  22           HA       LEU  22  -2.328   2.348  -3.230
  140   2HB   LEU  22          2HB       LEU  22  -2.282   1.365  -0.412
  141    HG   LEU  22           HG       LEU  22  -0.855   0.142  -1.886
  142   1HD1  LEU  22          1HD1      LEU  22  -0.401   1.199  -3.822
  143   2HD1  LEU  22          2HD1      LEU  22  -0.318   2.804  -3.057
  144   3HD1  LEU  22          3HD1      LEU  22   1.076   1.701  -2.965
  145   1HD2  LEU  22          1HD2      LEU  22   0.407   0.184  -0.025
  146   2HD2  LEU  22          2HD2      LEU  22   1.485   1.200  -1.014
  147   3HD2  LEU  22          3HD2      LEU  22   0.337   1.957   0.117
  148    H    THR  23           H        THR  23  -3.995   1.444  -4.484
  149    HA   THR  23           HA       THR  23  -5.853  -0.341  -3.109
  150    HB   THR  23           HB       THR  23  -7.211  -0.021  -5.003
  151    HG1  THR  23           HG1      THR  23  -6.218   0.059  -7.060
  152   1HG2  THR  23          1HG2      THR  23  -7.316   2.262  -5.306
  153   2HG2  THR  23          2HG2      THR  23  -6.008   2.321  -4.100
  154   3HG2  THR  23          3HG2      THR  23  -5.620   2.350  -5.836
  155    H    LYS  24           H        LYS  24  -6.281  -2.515  -4.058
  156    HA   LYS  24           HA       LYS  24  -3.931  -4.001  -4.054
  157   2HB   LYS  24          2HB       LYS  24  -6.532  -4.954  -5.247
  158   2HG   LYS  24          2HG       LYS  24  -4.607  -6.311  -3.316
  159   2HD   LYS  24          2HD       LYS  24  -7.131  -7.044  -4.030
  160   2HE   LYS  24          2HE       LYS  24  -6.121  -9.056  -5.738
  161   1HZ   LYS  24          1HZ       LYS  24  -8.137  -7.203  -5.687
  162   2HZ   LYS  24          2HZ       LYS  24  -7.406  -6.998  -7.132
  163   3HZ   LYS  24          3HZ       LYS  24  -7.987  -8.465  -6.713
  164    H    GLU  25           H        GLU  25  -6.213  -3.510  -6.845
  165    HA   GLU  25           HA       GLU  25  -4.774  -4.594  -8.780
  166   2HB   GLU  25          2HB       GLU  25  -5.681  -2.355 -10.099
  167   2HG   GLU  25          2HG       GLU  25  -6.995  -4.906  -9.158
  168    H    GLU  26           H        GLU  26  -4.386  -1.155  -7.665
  169    HA   GLU  26           HA       GLU  26  -2.280  -0.604  -9.378
  170   2HB   GLU  26          2HB       GLU  26  -2.996   0.630  -6.682
  171   2HG   GLU  26          2HG       GLU  26  -1.296   1.714  -8.979
  172    H    VAL  27           H        VAL  27  -2.434  -2.079  -6.122
  173    HA   VAL  27           HA       VAL  27   0.338  -1.903  -5.606
  174    HB   VAL  27           HB       VAL  27  -2.064  -3.151  -4.442
  175   1HG1  VAL  27          1HG1      VAL  27  -0.418  -4.477  -2.866
  176   2HG1  VAL  27          2HG1      VAL  27  -1.005  -5.201  -4.382
  177   3HG1  VAL  27          3HG1      VAL  27   0.623  -4.483  -4.310
  178   1HG2  VAL  27          1HG2      VAL  27   0.128  -2.312  -2.678
  179   2HG2  VAL  27          2HG2      VAL  27  -0.377  -1.051  -3.828
  180   3HG2  VAL  27          3HG2      VAL  27  -1.571  -1.784  -2.730
  181    H    THR  28           H        THR  28  -1.643  -4.878  -6.269
  182    HA   THR  28           HA       THR  28   0.387  -6.584  -6.817
  183    HB   THR  28           HB       THR  28  -2.391  -6.302  -8.073
  184    HG1  THR  28           HG1      THR  28  -1.062  -7.739  -5.892
  185   1HG2  THR  28          1HG2      THR  28  -0.374  -8.013  -9.004
  186   2HG2  THR  28          2HG2      THR  28  -1.208  -9.003  -7.782
  187   3HG2  THR  28          3HG2      THR  28  -2.123  -8.317  -9.146
  188    H    SER  29           H        SER  29  -0.826  -3.966  -8.903
  189    HA   SER  29           HA       SER  29   0.395  -4.863 -11.227
  190   2HB   SER  29          2HB       SER  29  -0.217  -2.003 -10.357
  191    HG   SER  29           HG       SER  29   0.214  -1.432 -12.381
  192    H    PHE  30           H        PHE  30   1.433  -2.317  -8.836
  193    HA   PHE  30           HA       PHE  30   4.005  -2.094 -10.020
  194   2HB   PHE  30          2HB       PHE  30   3.289  -1.333  -7.157
  195    HD1  PHE  30           HD1      PHE  30   3.273   1.491  -9.152
  196    HD2  PHE  30           HD2      PHE  30   5.961  -1.391  -7.579
  197    HE1  PHE  30           HE1      PHE  30   5.165   3.122  -9.398
  198    HE2  PHE  30           HE2      PHE  30   7.853   0.239  -7.825
  199    HZ   PHE  30           HZ       PHE  30   7.433   2.477  -8.732
  200    H    PHE  31           H        PHE  31   2.552  -4.007  -7.386
  201    HA   PHE  31           HA       PHE  31   5.095  -4.771  -6.317
  202   2HB   PHE  31          2HB       PHE  31   3.300  -6.526  -5.269
  203    HD1  PHE  31           HD1      PHE  31   4.457  -5.996  -3.266
  204    HD2  PHE  31           HD2      PHE  31   2.118  -3.028  -5.196
  205    HE1  PHE  31           HE1      PHE  31   4.658  -4.522  -1.243
  206    HE2  PHE  31           HE2      PHE  31   2.320  -1.554  -3.174
  207    HZ   PHE  31           HZ       PHE  31   3.588  -2.318  -1.222
  208    H    LYS  32           H        LYS  32   3.068  -5.768  -8.964
  209    HA   LYS  32           HA       LYS  32   3.257  -8.426  -9.138
  210   2HB   LYS  32          2HB       LYS  32   3.499  -6.252 -11.195
  211   2HG   LYS  32          2HG       LYS  32   2.975  -8.613 -12.600
  212   2HD   LYS  32          2HD       LYS  32   5.761  -8.064 -12.876
  213   2HE   LYS  32          2HE       LYS  32   3.786  -8.359 -14.602
  214   1HZ   LYS  32          1HZ       LYS  32   3.727  -5.513 -13.953
  215   2HZ   LYS  32          2HZ       LYS  32   3.339  -6.023 -15.455
  216   3HZ   LYS  32          3HZ       LYS  32   2.474  -6.538 -14.169
  217    H    LYS  33           H        LYS  33   5.940  -6.107  -9.276
  218    HA   LYS  33           HA       LYS  33   7.776  -8.227 -10.044
  219   2HB   LYS  33          2HB       LYS  33   9.283  -5.963  -9.595
  220   2HG   LYS  33          2HG       LYS  33   8.134  -7.433 -11.886
  221   2HD   LYS  33          2HD       LYS  33   7.637  -4.745 -12.085
  222   2HE   LYS  33          2HE       LYS  33  10.482  -4.944 -12.234
  223   1HZ   LYS  33          1HZ       LYS  33  10.289  -5.614 -14.483
  224   2HZ   LYS  33          2HZ       LYS  33   9.196  -4.451 -14.827
  225   3HZ   LYS  33          3HZ       LYS  33  10.739  -4.045 -14.484
  226    H    HIS  34           H        HIS  34   6.953  -6.060  -7.287
  227    HA   HIS  34           HA       HIS  34   9.060  -6.944  -5.661
  228   2HB   HIS  34          2HB       HIS  34   7.744  -5.902  -3.833
  229    HD1  HIS  34           HD1      HIS  34   9.010  -3.780  -3.552
  230    HD2  HIS  34           HD2      HIS  34   7.443  -4.161  -7.424
  231    HE1  HIS  34           HE1      HIS  34   9.704  -1.674  -4.814
  232    H    GLY  35           H        GLY  35   6.453  -7.333  -3.635
  233   1HA   GLY  35          1HA       GLY  35   6.594 -10.273  -3.896
  234   2HA   GLY  35          2HA       GLY  35   6.349  -9.386  -2.404
  235    H    ILE  36           H        ILE  36   4.819  -8.892  -5.654
  236    HA   ILE  36           HA       ILE  36   2.362  -8.222  -4.913
  237    HB   ILE  36           HB       ILE  36   2.914  -8.267  -7.189
  238   2HG1  ILE  36          2HG1      ILE  36   0.991  -9.200  -8.191
  239   1HG2  ILE  36          1HG2      ILE  36   3.097 -10.625  -8.334
  240   2HG2  ILE  36          2HG2      ILE  36   4.510  -9.876  -7.555
  241   3HG2  ILE  36          3HG2      ILE  36   3.594 -11.143  -6.705
  242   1HD1  ILE  36          1HD1      ILE  36   0.317 -11.321  -7.786
  243   2HD1  ILE  36          2HD1      ILE  36   1.574 -11.462  -6.534
  244   3HD1  ILE  36          3HD1      ILE  36  -0.056 -10.896  -6.098
  245    H    GLU  37           H        GLU  37   3.809 -11.457  -4.599
  246    HA   GLU  37           HA       GLU  37   1.335 -12.692  -4.000
  247   2HB   GLU  37          2HB       GLU  37   2.898 -14.587  -3.213
  248   2HG   GLU  37          2HG       GLU  37   3.042 -13.370  -6.000
  249    H    LYS  38           H        LYS  38   4.308 -12.099  -1.975
  250    HA   LYS  38           HA       LYS  38   3.134 -12.684   0.446
  251   2HB   LYS  38          2HB       LYS  38   5.380 -10.738  -0.165
  252   2HG   LYS  38          2HG       LYS  38   4.076 -11.491   2.317
  253   2HD   LYS  38          2HD       LYS  38   6.108 -13.282   1.844
  254   2HE   LYS  38          2HE       LYS  38   7.900 -12.308   3.547
  255   1HZ   LYS  38          1HZ       LYS  38   7.959 -12.707   0.983
  256   2HZ   LYS  38          2HZ       LYS  38   8.076 -11.079   0.935
  257   3HZ   LYS  38          3HZ       LYS  38   9.188 -11.953   1.750
  258    H    VAL  39           H        VAL  39   3.208  -9.604  -1.418
  259    HA   VAL  39           HA       VAL  39   1.968  -8.095   0.627
  260    HB   VAL  39           HB       VAL  39   3.378  -7.406  -1.448
  261   1HG1  VAL  39          1HG1      VAL  39   1.720  -8.475  -3.047
  262   2HG1  VAL  39          2HG1      VAL  39   0.616  -7.133  -2.665
  263   3HG1  VAL  39          3HG1      VAL  39   2.192  -6.801  -3.422
  264   1HG2  VAL  39          1HG2      VAL  39   1.015  -5.927  -0.288
  265   2HG2  VAL  39          2HG2      VAL  39   2.750  -5.719   0.051
  266   3HG2  VAL  39          3HG2      VAL  39   2.075  -5.172  -1.503
  267    H    ALA  40           H        ALA  40   0.806  -9.967  -2.220
  268    HA   ALA  40           HA       ALA  40  -1.810  -9.144  -2.251
  269   1HB   ALA  40          1HB       ALA  40  -2.082 -11.711  -2.970
  270   2HB   ALA  40          2HB       ALA  40  -1.268 -10.523  -4.017
  271   3HB   ALA  40          3HB       ALA  40  -0.305 -11.624  -3.003
  272    H    GLU  41           H        GLU  41  -0.138 -11.445  -0.066
  273    HA   GLU  41           HA       GLU  41  -2.573 -12.274   1.127
  274   2HB   GLU  41          2HB       GLU  41   0.169 -12.590   2.384
  275   2HG   GLU  41          2HG       GLU  41  -2.472 -14.059   2.383
  276    H    GLN  42           H        GLN  42   0.096  -9.982   1.934
  277    HA   GLN  42           HA       GLN  42  -0.842  -9.362   4.470
  278   2HB   GLN  42          2HB       GLN  42   0.565  -7.230   4.100
  279   2HG   GLN  42          2HG       GLN  42   1.886  -9.904   3.437
  280   1HE2  GLN  42          1HE2      GLN  42   3.817  -9.792   5.282
  281   2HE2  GLN  42          2HE2      GLN  42   4.907  -8.473   5.010
  282    H    VAL  43           H        VAL  43  -1.422  -7.870   1.229
  283    HA   VAL  43           HA       VAL  43  -2.959  -5.729   2.187
  284    HB   VAL  43           HB       VAL  43  -3.700  -5.564  -0.158
  285   1HG1  VAL  43          1HG1      VAL  43  -1.174  -5.668  -1.083
  286   2HG1  VAL  43          2HG1      VAL  43  -1.758  -4.388   0.007
  287   3HG1  VAL  43          3HG1      VAL  43  -0.846  -5.768   0.664
  288   1HG2  VAL  43          1HG2      VAL  43  -3.961  -7.588  -1.158
  289   2HG2  VAL  43          2HG2      VAL  43  -2.275  -7.303  -1.655
  290   3HG2  VAL  43          3HG2      VAL  43  -2.627  -8.336  -0.248
  291    H    MET  44           H        MET  44  -3.764  -9.081   1.138
  292    HA   MET  44           HA       MET  44  -6.483  -8.817   1.097
  293   2HB   MET  44          2HB       MET  44  -5.705 -11.383   2.255
  294   2HG   MET  44          2HG       MET  44  -7.383 -10.586   0.279
  295   1HE   MET  44          1HE       MET  44  -4.419 -12.660  -2.455
  296   2HE   MET  44          2HE       MET  44  -3.935 -12.506  -0.749
  297   3HE   MET  44          3HE       MET  44  -5.452 -13.334  -1.173
  298    H    LYS  45           H        LYS  45  -4.297  -9.594   3.876
  299    HA   LYS  45           HA       LYS  45  -6.515  -9.780   5.684
  300   2HB   LYS  45          2HB       LYS  45  -4.605  -9.918   7.380
  301   2HG   LYS  45          2HG       LYS  45  -5.252 -11.809   5.149
  302   2HD   LYS  45          2HD       LYS  45  -2.798 -12.056   6.938
  303   2HE   LYS  45          2HE       LYS  45  -4.270 -14.266   5.422
  304   1HZ   LYS  45          1HZ       LYS  45  -2.246 -15.130   7.102
  305   2HZ   LYS  45          2HZ       LYS  45  -2.342 -15.290   5.481
  306   3HZ   LYS  45          3HZ       LYS  45  -1.607 -13.984   6.129
  307    H    ALA  46           H        ALA  46  -4.557  -7.265   4.297
  308    HA   ALA  46           HA       ALA  46  -4.835  -5.454   6.498
  309   1HB   ALA  46          1HB       ALA  46  -3.751  -3.882   5.009
  310   2HB   ALA  46          2HB       ALA  46  -2.948  -5.460   4.827
  311   3HB   ALA  46          3HB       ALA  46  -4.106  -4.904   3.594
  312    H    ASP  47           H        ASP  47  -6.303  -5.798   3.192
  313    HA   ASP  47           HA       ASP  47  -8.007  -3.665   3.427
  314   2HB   ASP  47          2HB       ASP  47  -9.019  -6.107   2.012
  315    H    ALA  48           H        ALA  48  -8.229  -7.081   4.517
  316    HA   ALA  48           HA       ALA  48  -9.588  -8.108   5.931
  317   1HB   ALA  48          1HB       ALA  48  -9.650  -5.351   6.750
  318   2HB   ALA  48          2HB       ALA  48 -11.279  -6.041   6.946
  319   3HB   ALA  48          3HB       ALA  48  -9.885  -6.813   7.739
  320    H    ASN  49           H        ASN  49 -11.780  -5.394   4.933
  321    HA   ASN  49           HA       ASN  49 -13.882  -7.124   4.434
  322   2HB   ASN  49          2HB       ASN  49 -14.062  -4.689   2.824
  323   1HD2  ASN  49          1HD2      ASN  49 -16.150  -4.462   2.717
  324   2HD2  ASN  49          2HD2      ASN  49 -17.314  -4.787   3.957
  325    H    GLY  50           H        GLY  50 -11.194  -5.839   2.461
  326   1HA   GLY  50          1HA       GLY  50 -10.376  -6.606   0.487
  327   2HA   GLY  50          2HA       GLY  50 -11.678  -7.775   0.392
  328    H    ASP  51           H        ASP  51 -11.321  -4.148   0.384
  329    HA   ASP  51           HA       ASP  51 -12.121  -3.788  -2.182
  330   2HB   ASP  51          2HB       ASP  51 -14.435  -3.758  -0.198
  331    H    GLY  52           H        GLY  52 -10.230  -2.602  -0.579
  332   1HA   GLY  52          1HA       GLY  52 -11.053   0.161  -0.532
  333   2HA   GLY  52          2HA       GLY  52 -10.759  -0.511   1.059
  334    H    TYR  53           H        TYR  53  -9.256   1.549  -0.638
  335    HA   TYR  53           HA       TYR  53  -6.708   0.160  -0.981
  336   2HB   TYR  53          2HB       TYR  53  -7.314   1.580  -2.842
  337    HD1  TYR  53           HD1      TYR  53  -7.643   3.855   0.138
  338    HD2  TYR  53           HD2      TYR  53  -9.128   2.718  -3.710
  339    HE1  TYR  53           HE1      TYR  53  -9.444   5.643   0.298
  340    HE2  TYR  53           HE2      TYR  53 -10.924   4.510  -3.537
  341    HH   TYR  53           HH       TYR  53 -11.945   5.906  -2.177
  342    H    ILE  54           H        ILE  54  -4.707   1.461  -0.276
  343    HA   ILE  54           HA       ILE  54  -5.229   2.418   2.441
  344    HB   ILE  54           HB       ILE  54  -3.239   0.716   1.215
  345   2HG1  ILE  54          2HG1      ILE  54  -4.287   1.327   3.958
  346   1HG2  ILE  54          1HG2      ILE  54  -1.742   2.543   1.139
  347   2HG2  ILE  54          2HG2      ILE  54  -2.257   3.135   2.736
  348   3HG2  ILE  54          3HG2      ILE  54  -1.326   1.624   2.606
  349   1HD1  ILE  54          1HD1      ILE  54  -4.182  -1.390   3.618
  350   2HD1  ILE  54          2HD1      ILE  54  -5.580  -0.390   3.155
  351   3HD1  ILE  54          3HD1      ILE  54  -4.375  -0.854   1.931
  352    H    THR  55           H        THR  55  -5.500   4.587   2.526
  353    HA   THR  55           HA       THR  55  -3.920   6.223   0.677
  354    HB   THR  55           HB       THR  55  -5.621   7.926   1.141
  355    HG1  THR  55           HG1      THR  55  -6.725   5.943   2.984
  356   1HG2  THR  55          1HG2      THR  55  -7.200   6.859  -0.119
  357   2HG2  THR  55          2HG2      THR  55  -6.333   5.329   0.151
  358   3HG2  THR  55          3HG2      THR  55  -7.630   5.825   1.264
  359    H    LEU  56           H        LEU  56  -2.556   7.884   1.353
  360    HA   LEU  56           HA       LEU  56  -0.926   7.438   3.430
  361   2HB   LEU  56          2HB       LEU  56  -0.428   9.049   1.751
  362    HG   LEU  56           HG       LEU  56  -2.935  10.070   1.920
  363   1HD1  LEU  56          1HD1      LEU  56  -2.200  11.094   4.172
  364   2HD1  LEU  56          2HD1      LEU  56  -1.291  12.256   3.177
  365   3HD1  LEU  56          3HD1      LEU  56  -3.057  12.128   3.004
  366   1HD2  LEU  56          1HD2      LEU  56  -0.897  10.347   0.244
  367   2HD2  LEU  56          2HD2      LEU  56  -2.309  11.430   0.202
  368   3HD2  LEU  56          3HD2      LEU  56  -0.810  11.954   1.005
  369    H    GLU  57           H        GLU  57  -4.093   9.132   3.532
  370    HA   GLU  57           HA       GLU  57  -3.824   9.986   6.169
  371   2HB   GLU  57          2HB       GLU  57  -5.468  10.992   4.680
  372   2HG   GLU  57          2HG       GLU  57  -6.857   8.270   4.720
  373    H    GLU  58           H        GLU  58  -5.339   7.054   4.680
  374    HA   GLU  58           HA       GLU  58  -6.167   6.046   7.176
  375   2HB   GLU  58          2HB       GLU  58  -5.829   4.678   4.471
  376   2HG   GLU  58          2HG       GLU  58  -6.604   3.663   7.127
  377    H    PHE  59           H        PHE  59  -3.250   5.757   5.144
  378    HA   PHE  59           HA       PHE  59  -2.174   3.501   6.410
  379   2HB   PHE  59          2HB       PHE  59  -0.412   5.731   5.393
  380    HD1  PHE  59           HD1      PHE  59  -1.667   2.262   4.912
  381    HD2  PHE  59           HD2      PHE  59   1.594   4.946   4.504
  382    HE1  PHE  59           HE1      PHE  59  -0.170   0.348   4.283
  383    HE2  PHE  59           HE2      PHE  59   3.091   3.032   3.875
  384    HZ   PHE  59           HZ       PHE  59   2.191   0.756   3.771
  385    H    LEU  60           H        LEU  60  -2.122   7.001   7.160
  386    HA   LEU  60           HA       LEU  60  -0.116   6.665   9.187
  387   2HB   LEU  60          2HB       LEU  60  -1.864   9.078   8.879
  388    HG   LEU  60           HG       LEU  60   0.648   8.526  10.173
  389   1HD1  LEU  60          1HD1      LEU  60   1.251   9.388   7.697
  390   2HD1  LEU  60          2HD1      LEU  60   1.016  10.955   8.509
  391   3HD1  LEU  60          3HD1      LEU  60   2.209   9.794   9.141
  392   1HD2  LEU  60          1HD2      LEU  60  -0.961   9.788  11.319
  393   2HD2  LEU  60          2HD2      LEU  60   0.306  10.960  10.886
  394   3HD2  LEU  60          3HD2      LEU  60  -1.205  10.895   9.947
  395    H    GLU  61           H        GLU  61  -3.571   7.803   9.269
  396    HA   GLU  61           HA       GLU  61  -3.936   7.725  11.911
  397   2HB   GLU  61          2HB       GLU  61  -5.997   6.702   9.911
  398   2HG   GLU  61          2HG       GLU  61  -6.271   8.328  12.483
  399    H    PHE  62           H        PHE  62  -3.838   4.939   9.664
  400    HA   PHE  62           HA       PHE  62  -4.809   3.047  11.507
  401   2HB   PHE  62          2HB       PHE  62  -3.065   3.022   8.983
  402    HD1  PHE  62           HD1      PHE  62  -5.533   0.476   9.865
  403    HD2  PHE  62           HD2      PHE  62  -1.393   1.381   9.644
  404    HE1  PHE  62           HE1      PHE  62  -4.989  -1.963  10.092
  405    HE2  PHE  62           HE2      PHE  62  -0.848  -1.059   9.873
  406    HZ   PHE  62           HZ       PHE  62  -2.652  -2.702  10.094
  407    H    SER  63           H        SER  63  -1.536   4.292  10.685
  408    HA   SER  63           HA       SER  63  -0.249   2.338  12.275
  409   2HB   SER  63          2HB       SER  63   1.704   4.114  11.973
  410    HG   SER  63           HG       SER  63   0.448   2.561   9.892
  411    H    LEU  64           H        LEU  64  -1.752   5.479  12.791
  412    HA   LEU  64           HA       LEU  64  -0.331   6.041  15.212
  413   2HB   LEU  64          2HB       LEU  64  -2.638   7.267  13.736
  414    HG   LEU  64           HG       LEU  64  -1.868   7.770  16.565
  415   1HD1  LEU  64          1HD1      LEU  64  -0.887   9.722  15.515
  416   2HD1  LEU  64          2HD1      LEU  64  -2.391  10.030  14.615
  417   3HD1  LEU  64          3HD1      LEU  64  -2.369  10.178  16.389
  418   1HD2  LEU  64          1HD2      LEU  64  -4.041   7.090  16.478
  419   2HD2  LEU  64          2HD2      LEU  64  -4.284   8.846  16.313
  420   3HD2  LEU  64          3HD2      LEU  64  -4.323   7.802  14.872
  Start of MODEL   14
    1   1H    SER   1          HT1       SER   1   5.326   8.344  12.485
    2    HA   SER   1           HA       SER   1   6.914   6.848  13.948
    3   2HB   SER   1          2HB       SER   1   5.215   4.816  12.459
    4    HG   SER   1           HG       SER   1   6.225   3.374  13.973
    5    H    ASP   2           H        ASP   2   8.802   6.686  12.752
    6    HA   ASP   2           HA       ASP   2   8.814   7.584  10.146
    7   2HB   ASP   2          2HB       ASP   2  11.153   7.248  10.229
    8    H    ASP   3           H        ASP   3   8.594   4.342  11.628
    9    HA   ASP   3           HA       ASP   3   9.368   2.819   9.476
   10   2HB   ASP   3          2HB       ASP   3   7.479   1.229  10.623
   11    H    LYS   4           H        LYS   4   6.342   4.535  10.281
   12    HA   LYS   4           HA       LYS   4   4.838   3.200   8.216
   13   2HB   LYS   4          2HB       LYS   4   3.456   5.479   9.165
   14   2HG   LYS   4          2HG       LYS   4   2.574   3.162   8.623
   15   2HD   LYS   4          2HD       LYS   4   3.502   2.467  11.441
   16   2HE   LYS   4          2HE       LYS   4   1.525   1.340   9.872
   17   1HZ   LYS   4          1HZ       LYS   4   3.985   0.457   8.870
   18   2HZ   LYS   4          2HZ       LYS   4   3.198  -0.803   9.547
   19   3HZ   LYS   4          3HZ       LYS   4   2.480   0.072   8.369
   20    H    ILE   5           H        ILE   5   6.580   6.281   8.763
   21    HA   ILE   5           HA       ILE   5   5.612   7.659   6.559
   22    HB   ILE   5           HB       ILE   5   8.168   7.762   8.134
   23   2HG1  ILE   5          2HG1      ILE   5   5.904   8.507   9.061
   24   1HG2  ILE   5          1HG2      ILE   5   8.868   9.729   6.954
   25   2HG2  ILE   5          2HG2      ILE   5   8.639   8.417   5.772
   26   3HG2  ILE   5          3HG2      ILE   5   7.411   9.697   5.931
   27   1HD1  ILE   5          1HD1      ILE   5   7.487   9.463  10.401
   28   2HD1  ILE   5          2HD1      ILE   5   8.501   9.942   9.018
   29   3HD1  ILE   5          3HD1      ILE   5   7.115  10.951   9.498
   30    H    GLY   6           H        GLY   6   8.638   5.663   6.855
   31   1HA   GLY   6          1HA       GLY   6   9.576   5.808   4.315
   32   2HA   GLY   6          2HA       GLY   6   9.673   4.375   5.318
   33    H    LEU   7           H        LEU   7   7.413   3.109   5.454
   34    HA   LEU   7           HA       LEU   7   6.935   2.024   2.995
   35   2HB   LEU   7          2HB       LEU   7   4.599   1.953   4.728
   36    HG   LEU   7           HG       LEU   7   5.129   0.125   3.173
   37   1HD1  LEU   7          1HD1      LEU   7   7.271  -0.419   2.897
   38   2HD1  LEU   7          2HD1      LEU   7   7.743   0.302   4.454
   39   3HD1  LEU   7          3HD1      LEU   7   7.116  -1.363   4.399
   40   1HD2  LEU   7          1HD2      LEU   7   4.355  -0.096   5.874
   41   2HD2  LEU   7          2HD2      LEU   7   4.005  -1.215   4.536
   42   3HD2  LEU   7          3HD2      LEU   7   5.447  -1.463   5.551
   43    H    LYS   8           H        LYS   8   5.448   4.890   4.536
   44    HA   LYS   8           HA       LYS   8   3.364   5.145   2.653
   45   2HB   LYS   8          2HB       LYS   8   4.551   7.428   4.222
   46   2HG   LYS   8          2HG       LYS   8   1.962   6.715   2.917
   47   2HD   LYS   8          2HD       LYS   8   1.687   6.758   5.573
   48   2HE   LYS   8          2HE       LYS   8   1.017   9.232   6.121
   49   1HZ   LYS   8          1HZ       LYS   8   2.788   8.874   7.358
   50   2HZ   LYS   8          2HZ       LYS   8   3.487   7.888   6.262
   51   3HZ   LYS   8          3HZ       LYS   8   3.721   9.500   6.174
   52    H    VAL   9           H        VAL   9   6.753   6.313   2.839
   53    HA   VAL   9           HA       VAL   9   6.611   8.111   0.717
   54    HB   VAL   9           HB       VAL   9   8.850   6.450   1.875
   55   1HG1  VAL   9          1HG1      VAL   9  10.421   7.912   0.685
   56   2HG1  VAL   9          2HG1      VAL   9   9.399   7.004  -0.454
   57   3HG1  VAL   9          3HG1      VAL   9   9.061   8.722  -0.130
   58   1HG2  VAL   9          1HG2      VAL   9   7.896   8.089   3.407
   59   2HG2  VAL   9          2HG2      VAL   9   9.523   8.600   2.896
   60   3HG2  VAL   9          3HG2      VAL   9   8.085   9.373   2.187
   61    H    LEU  10           H        LEU  10   7.719   4.646   0.758
   62    HA   LEU  10           HA       LEU  10   8.120   4.425  -1.959
   63   2HB   LEU  10          2HB       LEU  10   7.309   1.924  -1.231
   64    HG   LEU  10           HG       LEU  10   9.770   3.140  -1.694
   65   1HD1  LEU  10          1HD1      LEU  10  11.256   2.373   0.069
   66   2HD1  LEU  10          2HD1      LEU  10  10.049   3.506   0.724
   67   3HD1  LEU  10          3HD1      LEU  10   9.871   1.757   1.002
   68   1HD2  LEU  10          1HD2      LEU  10  10.377   0.491  -1.176
   69   2HD2  LEU  10          2HD2      LEU  10   8.639   0.451  -1.554
   70   3HD2  LEU  10          3HD2      LEU  10   9.787   1.159  -2.716
   71    H    TYR  11           H        TYR  11   5.130   3.764  -0.020
   72    HA   TYR  11           HA       TYR  11   3.558   2.969  -2.174
   73   2HB   TYR  11          2HB       TYR  11   3.290   4.106   0.620
   74    HD1  TYR  11           HD1      TYR  11   1.298   4.858   1.707
   75    HD2  TYR  11           HD2      TYR  11   1.201   3.784  -2.433
   76    HE1  TYR  11           HE1      TYR  11  -1.019   5.880   1.489
   77    HE2  TYR  11           HE2      TYR  11  -1.117   4.809  -2.637
   78    HH   TYR  11           HH       TYR  11  -2.375   6.880  -0.383
   79    H    LYS  12           H        LYS  12   3.955   6.229  -0.624
   80    HA   LYS  12           HA       LYS  12   2.138   7.541  -2.265
   81   2HB   LYS  12          2HB       LYS  12   4.409   8.339  -0.494
   82   2HG   LYS  12          2HG       LYS  12   3.701  10.769  -1.080
   83   2HD   LYS  12          2HD       LYS  12   5.097   9.816  -3.504
   84   2HE   LYS  12          2HE       LYS  12   6.698  11.142  -1.433
   85   1HZ   LYS  12          1HZ       LYS  12   6.508  12.857  -3.319
   86   2HZ   LYS  12          2HZ       LYS  12   7.346  11.480  -3.576
   87   3HZ   LYS  12          3HZ       LYS  12   5.832  11.636  -4.166
   88    H    LEU  13           H        LEU  13   5.510   6.527  -2.772
   89    HA   LEU  13           HA       LEU  13   5.790   8.135  -5.133
   90   2HB   LEU  13          2HB       LEU  13   7.545   5.862  -4.223
   91    HG   LEU  13           HG       LEU  13   8.018   7.004  -6.452
   92   1HD1  LEU  13          1HD1      LEU  13   9.429   9.253  -5.520
   93   2HD1  LEU  13          2HD1      LEU  13   7.972   9.220  -6.541
   94   3HD1  LEU  13          3HD1      LEU  13   7.816   9.337  -4.772
   95   1HD2  LEU  13          1HD2      LEU  13  10.245   7.338  -4.441
   96   2HD2  LEU  13          2HD2      LEU  13   9.661   5.741  -4.970
   97   3HD2  LEU  13          3HD2      LEU  13  10.348   6.875  -6.157
   98    H    MET  14           H        MET  14   5.859   4.543  -4.551
   99    HA   MET  14           HA       MET  14   5.620   3.822  -7.152
  100   2HB   MET  14          2HB       MET  14   4.621   1.677  -6.182
  101   2HG   MET  14          2HG       MET  14   6.956   2.950  -4.677
  102   1HE   MET  14          1HE       MET  14   8.268   0.302  -5.758
  103   2HE   MET  14          2HE       MET  14   8.839   0.070  -4.088
  104   3HE   MET  14          3HE       MET  14   7.859  -1.190  -4.877
  105    H    ASP  15           H        ASP  15   2.974   4.495  -4.773
  106    HA   ASP  15           HA       ASP  15   0.813   3.714  -6.043
  107   2HB   ASP  15          2HB       ASP  15   1.355   6.375  -4.667
  108    H    VAL  16           H        VAL  16   0.718   3.756  -8.339
  109    HA   VAL  16           HA       VAL  16   0.979   6.408  -9.577
  110    HB   VAL  16           HB       VAL  16   1.668   3.634 -10.503
  111   1HG1  VAL  16          1HG1      VAL  16   0.732   5.935 -12.158
  112   2HG1  VAL  16          2HG1      VAL  16   2.138   5.018 -12.749
  113   3HG1  VAL  16          3HG1      VAL  16   0.596   4.183 -12.444
  114   1HG2  VAL  16          1HG2      VAL  16   3.165   5.730  -9.471
  115   2HG2  VAL  16          2HG2      VAL  16   3.791   4.338 -10.386
  116   3HG2  VAL  16          3HG2      VAL  16   3.421   5.862 -11.227
  117    H    ASP  17           H        ASP  17  -0.651   3.195 -10.096
  118    HA   ASP  17           HA       ASP  17  -2.602   4.034 -11.731
  119   2HB   ASP  17          2HB       ASP  17  -2.347   1.888  -9.663
  120    H    GLY  18           H        GLY  18  -3.050   3.530  -8.139
  121   1HA   GLY  18          1HA       GLY  18  -5.479   4.858  -7.906
  122   2HA   GLY  18          2HA       GLY  18  -4.322   4.585  -6.618
  123    H    ASP  19           H        ASP  19  -2.128   6.094  -8.049
  124    HA   ASP  19           HA       ASP  19  -1.280   8.092  -7.907
  125   2HB   ASP  19          2HB       ASP  19  -2.052   9.286  -9.673
  126    H    GLY  20           H        GLY  20  -2.958   7.109  -5.583
  127   1HA   GLY  20          1HA       GLY  20  -2.913   9.428  -3.984
  128   2HA   GLY  20          2HA       GLY  20  -4.562   9.119  -4.490
  129    H    LYS  21           H        LYS  21  -5.216   6.631  -4.322
  130    HA   LYS  21           HA       LYS  21  -4.447   5.839  -1.619
  131   2HB   LYS  21          2HB       LYS  21  -6.773   6.111  -1.764
  132   2HG   LYS  21          2HG       LYS  21  -7.787   4.425  -3.732
  133   2HD   LYS  21          2HD       LYS  21  -7.148   7.387  -4.105
  134   2HE   LYS  21          2HE       LYS  21  -9.088   5.424  -5.330
  135   1HZ   LYS  21          1HZ       LYS  21  -9.991   7.878  -5.976
  136   2HZ   LYS  21          2HZ       LYS  21 -10.728   6.838  -4.955
  137   3HZ   LYS  21          3HZ       LYS  21  -9.752   8.006  -4.365
  138    H    LEU  22           H        LEU  22  -3.996   3.559  -1.155
  139    HA   LEU  22           HA       LEU  22  -2.568   2.365  -3.400
  140   2HB   LEU  22          2HB       LEU  22  -2.412   1.373  -0.586
  141    HG   LEU  22           HG       LEU  22  -1.049   0.202  -2.231
  142   1HD1  LEU  22          1HD1      LEU  22  -0.417   1.367  -4.030
  143   2HD1  LEU  22          2HD1      LEU  22  -0.494   2.924  -3.170
  144   3HD1  LEU  22          3HD1      LEU  22   0.957   1.901  -3.033
  145   1HD2  LEU  22          1HD2      LEU  22   0.815   0.066  -0.932
  146   2HD2  LEU  22          2HD2      LEU  22   0.994   1.832  -0.796
  147   3HD2  LEU  22          3HD2      LEU  22  -0.233   0.983   0.176
  148    H    THR  23           H        THR  23  -4.227   1.414  -4.616
  149    HA   THR  23           HA       THR  23  -6.011  -0.418  -3.206
  150    HB   THR  23           HB       THR  23  -7.416  -0.127  -5.069
  151    HG1  THR  23           HG1      THR  23  -6.297   0.457  -7.172
  152   1HG2  THR  23          1HG2      THR  23  -7.577   2.152  -5.378
  153   2HG2  THR  23          2HG2      THR  23  -6.251   2.242  -4.194
  154   3HG2  THR  23          3HG2      THR  23  -5.892   2.277  -5.937
  155    H    LYS  24           H        LYS  24  -6.396  -2.604  -4.122
  156    HA   LYS  24           HA       LYS  24  -4.071  -4.072  -4.114
  157   2HB   LYS  24          2HB       LYS  24  -6.461  -5.126  -5.570
  158   2HG   LYS  24          2HG       LYS  24  -5.056  -6.251  -3.129
  159   2HD   LYS  24          2HD       LYS  24  -7.187  -7.254  -4.248
  160   2HE   LYS  24          2HE       LYS  24  -5.969  -6.937  -6.597
  161   1HZ   LYS  24          1HZ       LYS  24  -5.132  -9.649  -5.858
  162   2HZ   LYS  24          2HZ       LYS  24  -4.802  -8.847  -7.242
  163   3HZ   LYS  24          3HZ       LYS  24  -4.112  -8.373  -5.839
  164    H    GLU  25           H        GLU  25  -6.186  -3.510  -7.022
  165    HA   GLU  25           HA       GLU  25  -4.608  -4.518  -8.895
  166   2HB   GLU  25          2HB       GLU  25  -5.581  -1.961  -9.874
  167   2HG   GLU  25          2HG       GLU  25  -6.512  -4.858 -10.108
  168    H    GLU  26           H        GLU  26  -4.285  -1.209  -7.463
  169    HA   GLU  26           HA       GLU  26  -2.206  -0.403  -9.093
  170   2HB   GLU  26          2HB       GLU  26  -3.306   0.436  -6.428
  171   2HG   GLU  26          2HG       GLU  26  -0.556   1.106  -7.493
  172    H    VAL  27           H        VAL  27  -2.248  -2.153  -5.941
  173    HA   VAL  27           HA       VAL  27   0.569  -2.118  -5.641
  174    HB   VAL  27           HB       VAL  27  -1.657  -3.752  -4.417
  175   1HG1  VAL  27          1HG1      VAL  27   0.892  -4.662  -4.517
  176   2HG1  VAL  27          2HG1      VAL  27   0.981  -3.646  -3.058
  177   3HG1  VAL  27          3HG1      VAL  27  -0.213  -4.963  -3.155
  178   1HG2  VAL  27          1HG2      VAL  27  -1.877  -2.101  -2.919
  179   2HG2  VAL  27          2HG2      VAL  27  -0.116  -1.963  -2.691
  180   3HG2  VAL  27          3HG2      VAL  27  -0.910  -1.104  -4.033
  181    H    THR  28           H        THR  28  -1.617  -4.969  -6.200
  182    HA   THR  28           HA       THR  28   0.166  -6.815  -6.917
  183    HB   THR  28           HB       THR  28  -2.483  -6.198  -8.332
  184    HG1  THR  28           HG1      THR  28  -1.738  -7.873  -6.042
  185   1HG2  THR  28          1HG2      THR  28  -0.865  -8.132  -9.194
  186   2HG2  THR  28          2HG2      THR  28  -1.370  -8.948  -7.695
  187   3HG2  THR  28          3HG2      THR  28  -2.585  -8.490  -8.912
  188    H    SER  29           H        SER  29  -0.870  -4.076  -8.993
  189    HA   SER  29           HA       SER  29   0.450  -5.006 -11.259
  190   2HB   SER  29          2HB       SER  29  -0.304  -2.179 -10.401
  191    HG   SER  29           HG       SER  29  -0.206  -2.762 -13.130
  192    H    PHE  30           H        PHE  30   1.360  -2.157  -9.176
  193    HA   PHE  30           HA       PHE  30   3.937  -1.946 -10.130
  194   2HB   PHE  30          2HB       PHE  30   3.188  -1.413  -7.225
  195    HD1  PHE  30           HD1      PHE  30   5.851  -1.337  -7.580
  196    HD2  PHE  30           HD2      PHE  30   3.096   1.527  -9.069
  197    HE1  PHE  30           HE1      PHE  30   7.689   0.369  -7.698
  198    HE2  PHE  30           HE2      PHE  30   4.933   3.233  -9.187
  199    HZ   PHE  30           HZ       PHE  30   7.208   2.634  -8.502
  200    H    PHE  31           H        PHE  31   2.568  -4.013  -7.543
  201    HA   PHE  31           HA       PHE  31   5.159  -4.799  -6.610
  202   2HB   PHE  31          2HB       PHE  31   3.507  -6.559  -5.467
  203    HD1  PHE  31           HD1      PHE  31   4.139  -6.043  -3.311
  204    HD2  PHE  31           HD2      PHE  31   2.462  -2.979  -5.722
  205    HE1  PHE  31           HE1      PHE  31   4.209  -4.468  -1.358
  206    HE2  PHE  31           HE2      PHE  31   2.532  -1.404  -3.769
  207    HZ   PHE  31           HZ       PHE  31   3.405  -2.167  -1.611
  208    H    LYS  32           H        LYS  32   3.034  -5.704  -9.210
  209    HA   LYS  32           HA       LYS  32   3.216  -8.350  -9.496
  210   2HB   LYS  32          2HB       LYS  32   3.847  -6.510 -11.806
  211   2HG   LYS  32          2HG       LYS  32   1.939  -8.876 -11.612
  212   2HD   LYS  32          2HD       LYS  32   3.045  -8.699 -14.173
  213   2HE   LYS  32          2HE       LYS  32   0.449  -8.067 -12.862
  214   1HZ   LYS  32          1HZ       LYS  32   0.292  -6.209 -14.104
  215   2HZ   LYS  32          2HZ       LYS  32   1.360  -6.694 -15.239
  216   3HZ   LYS  32          3HZ       LYS  32  -0.166  -7.274 -15.254
  217    H    LYS  33           H        LYS  33   5.897  -6.029  -9.636
  218    HA   LYS  33           HA       LYS  33   7.707  -8.074 -10.601
  219   2HB   LYS  33          2HB       LYS  33   8.292  -5.217  -9.777
  220   2HG   LYS  33          2HG       LYS  33  10.066  -5.835 -11.721
  221   2HD   LYS  33          2HD       LYS  33  10.747  -6.957  -9.014
  222   2HE   LYS  33          2HE       LYS  33  12.226  -4.645 -10.128
  223   1HZ   LYS  33          1HZ       LYS  33  12.858  -7.350  -9.201
  224   2HZ   LYS  33          2HZ       LYS  33  13.998  -6.368  -9.834
  225   3HZ   LYS  33          3HZ       LYS  33  13.207  -5.930  -8.475
  226    H    HIS  34           H        HIS  34   7.097  -6.098  -7.632
  227    HA   HIS  34           HA       HIS  34   9.183  -7.235  -6.166
  228   2HB   HIS  34          2HB       HIS  34   8.043  -6.273  -4.219
  229    HD1  HIS  34           HD1      HIS  34   9.576  -4.305  -4.063
  230    HD2  HIS  34           HD2      HIS  34   7.166  -4.161  -7.494
  231    HE1  HIS  34           HE1      HIS  34  10.086  -2.079  -5.203
  232    H    GLY  35           H        GLY  35   6.807  -7.739  -3.981
  233   1HA   GLY  35          1HA       GLY  35   6.677 -10.623  -4.608
  234   2HA   GLY  35          2HA       GLY  35   6.680  -9.920  -3.001
  235    H    ILE  36           H        ILE  36   4.825  -8.932  -5.957
  236    HA   ILE  36           HA       ILE  36   2.530  -8.206  -4.823
  237    HB   ILE  36           HB       ILE  36   2.725  -7.929  -7.110
  238   2HG1  ILE  36          2HG1      ILE  36   0.686  -8.657  -7.964
  239   1HG2  ILE  36          1HG2      ILE  36   3.641 -10.745  -7.102
  240   2HG2  ILE  36          2HG2      ILE  36   2.727 -10.221  -8.536
  241   3HG2  ILE  36          3HG2      ILE  36   4.202  -9.349  -8.053
  242   1HD1  ILE  36          1HD1      ILE  36   1.517 -11.229  -6.880
  243   2HD1  ILE  36          2HD1      ILE  36  -0.150 -10.854  -6.376
  244   3HD1  ILE  36          3HD1      ILE  36   0.274 -10.878  -8.105
  245    H    GLU  37           H        GLU  37   3.763 -11.527  -5.101
  246    HA   GLU  37           HA       GLU  37   1.345 -12.790  -4.531
  247   2HB   GLU  37          2HB       GLU  37   2.977 -14.685  -3.763
  248   2HG   GLU  37          2HG       GLU  37   3.300 -13.491  -6.556
  249    H    LYS  38           H        LYS  38   4.248 -12.516  -2.349
  250    HA   LYS  38           HA       LYS  38   2.831 -13.127  -0.039
  251   2HB   LYS  38          2HB       LYS  38   5.475 -11.796  -0.596
  252   2HG   LYS  38          2HG       LYS  38   3.953 -11.979   1.988
  253   2HD   LYS  38          2HD       LYS  38   6.889 -11.951   2.342
  254   2HE   LYS  38          2HE       LYS  38   5.714 -14.021   3.849
  255   1HZ   LYS  38          1HZ       LYS  38   7.008 -12.625   5.023
  256   2HZ   LYS  38          2HZ       LYS  38   6.474 -11.268   4.289
  257   3HZ   LYS  38          3HZ       LYS  38   5.573 -11.976   5.453
  258    H    VAL  39           H        VAL  39   3.255 -10.093  -1.840
  259    HA   VAL  39           HA       VAL  39   2.338  -8.439   0.286
  260    HB   VAL  39           HB       VAL  39   2.656  -8.034  -2.692
  261   1HG1  VAL  39          1HG1      VAL  39   2.571  -5.620  -1.035
  262   2HG1  VAL  39          2HG1      VAL  39   1.760  -5.982  -2.576
  263   3HG1  VAL  39          3HG1      VAL  39   1.033  -6.513  -1.041
  264   1HG2  VAL  39          1HG2      VAL  39   4.813  -7.690  -2.247
  265   2HG2  VAL  39          2HG2      VAL  39   4.392  -6.431  -1.061
  266   3HG2  VAL  39          3HG2      VAL  39   4.520  -8.130  -0.547
  267    H    ALA  40           H        ALA  40   0.867 -10.184  -2.478
  268    HA   ALA  40           HA       ALA  40  -1.624  -8.956  -2.417
  269   1HB   ALA  40          1HB       ALA  40  -0.566 -11.647  -3.293
  270   2HB   ALA  40          2HB       ALA  40  -2.309 -11.293  -3.371
  271   3HB   ALA  40          3HB       ALA  40  -1.156 -10.292  -4.286
  272    H    GLU  41           H        GLU  41  -0.352 -11.855  -0.656
  273    HA   GLU  41           HA       GLU  41  -2.760 -12.394   0.624
  274   2HB   GLU  41          2HB       GLU  41  -0.019 -13.042   1.764
  275   2HG   GLU  41          2HG       GLU  41  -2.731 -14.438   1.708
  276    H    GLN  42           H        GLN  42   0.187 -10.556   1.668
  277    HA   GLN  42           HA       GLN  42  -0.761  -9.974   4.201
  278   2HB   GLN  42          2HB       GLN  42   0.900  -7.858   3.657
  279   2HG   GLN  42          2HG       GLN  42   2.762  -9.790   4.063
  280   1HE2  GLN  42          1HE2      GLN  42   1.824 -10.862   6.624
  281   2HE2  GLN  42          2HE2      GLN  42   1.736  -9.535   7.733
  282    H    VAL  43           H        VAL  43  -0.969  -8.152   1.080
  283    HA   VAL  43           HA       VAL  43  -2.274  -5.922   2.185
  284    HB   VAL  43           HB       VAL  43  -1.963  -7.067  -0.579
  285   1HG1  VAL  43          1HG1      VAL  43  -3.544  -4.616   0.245
  286   2HG1  VAL  43          2HG1      VAL  43  -2.926  -4.875  -1.404
  287   3HG1  VAL  43          3HG1      VAL  43  -4.100  -6.014  -0.705
  288   1HG2  VAL  43          1HG2      VAL  43  -0.486  -5.205  -0.936
  289   2HG2  VAL  43          2HG2      VAL  43  -0.950  -4.469   0.618
  290   3HG2  VAL  43          3HG2      VAL  43  -0.023  -5.988   0.594
  291    H    MET  44           H        MET  44  -3.403  -9.032   0.776
  292    HA   MET  44           HA       MET  44  -6.058  -8.413   0.566
  293   2HB   MET  44          2HB       MET  44  -4.659 -11.035   1.331
  294   2HG   MET  44          2HG       MET  44  -7.252 -11.102  -0.141
  295   1HE   MET  44          1HE       MET  44  -6.447 -13.068  -1.016
  296   2HE   MET  44          2HE       MET  44  -6.348 -14.642  -0.190
  297   3HE   MET  44          3HE       MET  44  -7.919 -13.819  -0.354
  298    H    LYS  45           H        LYS  45  -4.199  -9.650   3.409
  299    HA   LYS  45           HA       LYS  45  -6.568  -9.703   5.035
  300   2HB   LYS  45          2HB       LYS  45  -3.700 -10.465   5.330
  301   2HG   LYS  45          2HG       LYS  45  -5.517  -9.534   7.567
  302   2HD   LYS  45          2HD       LYS  45  -3.298 -11.607   7.886
  303   2HE   LYS  45          2HE       LYS  45  -4.902  -9.923   9.724
  304   1HZ   LYS  45          1HZ       LYS  45  -5.912 -11.552  10.772
  305   2HZ   LYS  45          2HZ       LYS  45  -5.360 -12.664   9.711
  306   3HZ   LYS  45          3HZ       LYS  45  -4.492 -12.310  11.049
  307    H    ALA  46           H        ALA  46  -4.180  -7.380   4.031
  308    HA   ALA  46           HA       ALA  46  -4.249  -5.746   6.338
  309   1HB   ALA  46          1HB       ALA  46  -2.490  -5.786   4.512
  310   2HB   ALA  46          2HB       ALA  46  -3.657  -4.945   3.465
  311   3HB   ALA  46          3HB       ALA  46  -3.075  -4.164   4.954
  312    H    ASP  47           H        ASP  47  -5.941  -5.612   3.125
  313    HA   ASP  47           HA       ASP  47  -7.323  -3.387   3.332
  314   2HB   ASP  47          2HB       ASP  47  -9.121  -5.646   2.665
  315    H    ALA  48           H        ALA  48  -8.784  -6.560   4.400
  316    HA   ALA  48           HA       ALA  48 -10.031  -7.102   6.155
  317   1HB   ALA  48          1HB       ALA  48  -9.876  -4.469   7.532
  318   2HB   ALA  48          2HB       ALA  48  -9.589  -6.109   8.161
  319   3HB   ALA  48          3HB       ALA  48  -8.319  -5.278   7.233
  320    H    ASN  49           H        ASN  49 -10.544  -3.563   5.472
  321    HA   ASN  49           HA       ASN  49 -13.083  -3.276   6.034
  322   2HB   ASN  49          2HB       ASN  49 -12.064  -2.406   3.290
  323   1HD2  ASN  49          1HD2      ASN  49 -12.882  -0.397   2.655
  324   2HD2  ASN  49          2HD2      ASN  49 -14.349   0.257   3.301
  325    H    GLY  50           H        GLY  50 -11.822  -4.653   2.905
  326   1HA   GLY  50          1HA       GLY  50 -13.511  -6.743   2.583
  327   2HA   GLY  50          2HA       GLY  50 -14.460  -5.391   2.000
  328    H    ASP  51           H        ASP  51 -12.595  -3.726   0.772
  329    HA   ASP  51           HA       ASP  51 -10.699  -4.996  -0.754
  330   2HB   ASP  51          2HB       ASP  51 -13.209  -4.465  -2.391
  331    H    GLY  52           H        GLY  52 -10.428  -2.678   0.478
  332   1HA   GLY  52          1HA       GLY  52 -11.196  -0.501  -1.358
  333   2HA   GLY  52          2HA       GLY  52 -10.793  -0.334   0.339
  334    H    TYR  53           H        TYR  53  -9.071   1.135   0.116
  335    HA   TYR  53           HA       TYR  53  -6.643  -0.050  -0.993
  336   2HB   TYR  53          2HB       TYR  53  -7.335   1.374  -2.807
  337    HD1  TYR  53           HD1      TYR  53  -9.253   2.379  -3.615
  338    HD2  TYR  53           HD2      TYR  53  -7.747   3.600   0.199
  339    HE1  TYR  53           HE1      TYR  53 -11.158   4.047  -3.388
  340    HE2  TYR  53           HE2      TYR  53  -9.657   5.262   0.414
  341    HH   TYR  53           HH       TYR  53 -12.335   5.219  -1.746
  342    H    ILE  54           H        ILE  54  -4.663   1.285  -0.330
  343    HA   ILE  54           HA       ILE  54  -5.107   2.167   2.421
  344    HB   ILE  54           HB       ILE  54  -3.110   0.586   1.071
  345   2HG1  ILE  54          2HG1      ILE  54  -4.026   1.128   3.874
  346   1HG2  ILE  54          1HG2      ILE  54  -2.167   3.076   2.485
  347   2HG2  ILE  54          2HG2      ILE  54  -1.178   1.598   2.420
  348   3HG2  ILE  54          3HG2      ILE  54  -1.658   2.413   0.913
  349   1HD1  ILE  54          1HD1      ILE  54  -5.108  -0.573   2.315
  350   2HD1  ILE  54          2HD1      ILE  54  -3.563  -1.457   2.325
  351   3HD1  ILE  54          3HD1      ILE  54  -4.480  -1.251   3.837
  352    H    THR  55           H        THR  55  -5.625   4.315   2.427
  353    HA   THR  55           HA       THR  55  -4.134   6.073   0.626
  354    HB   THR  55           HB       THR  55  -5.937   7.655   1.125
  355    HG1  THR  55           HG1      THR  55  -7.500   6.862   2.823
  356   1HG2  THR  55          1HG2      THR  55  -7.583   6.528  -0.009
  357   2HG2  THR  55          2HG2      THR  55  -6.472   5.136  -0.006
  358   3HG2  THR  55          3HG2      THR  55  -7.707   5.292   1.267
  359    H    LEU  56           H        LEU  56  -2.895   7.831   1.320
  360    HA   LEU  56           HA       LEU  56  -1.208   7.460   3.371
  361   2HB   LEU  56          2HB       LEU  56  -0.868   9.934   3.332
  362    HG   LEU  56           HG       LEU  56  -0.190   8.178   1.356
  363   1HD1  LEU  56          1HD1      LEU  56  -1.227   8.508  -0.579
  364   2HD1  LEU  56          2HD1      LEU  56  -2.400   9.531   0.286
  365   3HD1  LEU  56          3HD1      LEU  56  -0.972  10.268  -0.482
  366   1HD2  LEU  56          1HD2      LEU  56   1.538   9.591   0.994
  367   2HD2  LEU  56          2HD2      LEU  56   0.488  11.017   0.814
  368   3HD2  LEU  56          3HD2      LEU  56   0.875  10.395   2.437
  369    H    GLU  57           H        GLU  57  -4.488   8.915   3.530
  370    HA   GLU  57           HA       GLU  57  -4.255   9.768   6.168
  371   2HB   GLU  57          2HB       GLU  57  -5.998  10.651   4.726
  372   2HG   GLU  57          2HG       GLU  57  -7.108   7.803   4.694
  373    H    GLU  58           H        GLU  58  -5.510   6.720   4.678
  374    HA   GLU  58           HA       GLU  58  -6.211   5.639   7.192
  375   2HB   GLU  58          2HB       GLU  58  -5.890   4.378   4.435
  376   2HG   GLU  58          2HG       GLU  58  -6.388   3.182   7.096
  377    H    PHE  59           H        PHE  59  -3.377   5.491   5.006
  378    HA   PHE  59           HA       PHE  59  -2.087   3.344   6.223
  379   2HB   PHE  59          2HB       PHE  59  -0.536   5.723   5.190
  380    HD1  PHE  59           HD1      PHE  59  -1.496   2.158   4.745
  381    HD2  PHE  59           HD2      PHE  59   1.494   5.120   4.204
  382    HE1  PHE  59           HE1      PHE  59   0.138   0.383   4.057
  383    HE2  PHE  59           HE2      PHE  59   3.129   3.345   3.516
  384    HZ   PHE  59           HZ       PHE  59   2.432   0.996   3.451
  385    H    LEU  60           H        LEU  60  -2.264   6.825   7.041
  386    HA   LEU  60           HA       LEU  60  -0.167   6.614   8.987
  387   2HB   LEU  60          2HB       LEU  60  -2.164   8.843   8.610
  388    HG   LEU  60           HG       LEU  60   0.192   8.565  10.260
  389   1HD1  LEU  60          1HD1      LEU  60   0.526  10.166   7.818
  390   2HD1  LEU  60          2HD1      LEU  60   0.874  11.047   9.325
  391   3HD1  LEU  60          3HD1      LEU  60   1.736   9.534   8.961
  392   1HD2  LEU  60          1HD2      LEU  60  -1.389  11.096   9.925
  393   2HD2  LEU  60          2HD2      LEU  60  -2.141   9.654  10.650
  394   3HD2  LEU  60          3HD2      LEU  60  -0.693  10.373  11.394
  395    H    GLU  61           H        GLU  61  -3.761   7.159   9.095
  396    HA   GLU  61           HA       GLU  61  -4.020   7.098  11.793
  397   2HB   GLU  61          2HB       GLU  61  -6.182   5.685  10.330
  398   2HG   GLU  61          2HG       GLU  61  -5.975   8.293  11.908
  399    H    PHE  62           H        PHE  62  -3.325   4.454   9.565
  400    HA   PHE  62           HA       PHE  62  -4.249   2.293  10.993
  401   2HB   PHE  62          2HB       PHE  62  -1.598   2.626   9.465
  402    HD1  PHE  62           HD1      PHE  62  -4.252   0.323   8.522
  403    HD2  PHE  62           HD2      PHE  62  -0.607   0.719  10.659
  404    HE1  PHE  62           HE1      PHE  62  -4.013  -2.174   8.577
  405    HE2  PHE  62           HE2      PHE  62  -0.368  -1.780  10.713
  406    HZ   PHE  62           HZ       PHE  62  -2.073  -3.196   9.672
  407    H    SER  63           H        SER  63  -0.971   3.863  11.155
  408    HA   SER  63           HA       SER  63  -0.230   2.192  13.317
  409   2HB   SER  63          2HB       SER  63   1.013   4.515  11.842
  410    HG   SER  63           HG       SER  63   2.082   3.298  14.248
  411    H    LEU  64           H        LEU  64  -1.777   5.341  12.886
  412    HA   LEU  64           HA       LEU  64  -1.243   6.203  15.573
  413   2HB   LEU  64          2HB       LEU  64  -3.210   7.346  13.594
  414    HG   LEU  64           HG       LEU  64  -2.949   8.204  16.086
  415   1HD1  LEU  64          1HD1      LEU  64  -0.507   8.397  16.011
  416   2HD1  LEU  64          2HD1      LEU  64  -0.639   9.591  14.696
  417   3HD1  LEU  64          3HD1      LEU  64  -1.283   9.970  16.313
  418   1HD2  LEU  64          1HD2      LEU  64  -3.411   9.598  13.515
  419   2HD2  LEU  64          2HD2      LEU  64  -4.439   9.470  14.963
  420   3HD2  LEU  64          3HD2      LEU  64  -3.097  10.639  14.924
  Start of MODEL   15
    1   1H    SER   1          HT1       SER   1   6.714   8.332  14.384
    2    HA   SER   1           HA       SER   1   5.588   7.272  12.848
    3   2HB   SER   1          2HB       SER   1   5.380  10.104  11.743
    4    HG   SER   1           HG       SER   1   4.483   9.073  10.063
    5    H    ASP   2           H        ASP   2   8.620   7.961  12.339
    6    HA   ASP   2           HA       ASP   2   8.837   8.041   9.534
    7   2HB   ASP   2          2HB       ASP   2  10.740   8.865  10.626
    8    H    ASP   3           H        ASP   3   7.772   5.657  11.662
    9    HA   ASP   3           HA       ASP   3   9.156   3.446  10.535
   10   2HB   ASP   3          2HB       ASP   3   6.947   2.377  11.804
   11    H    LYS   4           H        LYS   4   6.269   5.366   9.912
   12    HA   LYS   4           HA       LYS   4   5.331   3.340   8.002
   13   2HB   LYS   4          2HB       LYS   4   3.654   3.677   9.657
   14   2HG   LYS   4          2HG       LYS   4   2.862   6.367   9.462
   15   2HD   LYS   4          2HD       LYS   4   4.627   5.887  11.748
   16   2HE   LYS   4          2HE       LYS   4   1.649   5.650  11.967
   17   1HZ   LYS   4          1HZ       LYS   4   3.106   5.979  13.851
   18   2HZ   LYS   4          2HZ       LYS   4   3.657   7.385  13.232
   19   3HZ   LYS   4          3HZ       LYS   4   2.094   7.249  13.685
   20    H    ILE   5           H        ILE   5   6.797   6.445   8.466
   21    HA   ILE   5           HA       ILE   5   5.829   7.709   6.143
   22    HB   ILE   5           HB       ILE   5   7.202   8.493   8.314
   23   2HG1  ILE   5          2HG1      ILE   5   7.445  10.662   7.212
   24   1HG2  ILE   5          1HG2      ILE   5   9.279   8.444   6.109
   25   2HG2  ILE   5          2HG2      ILE   5   9.453   9.160   7.729
   26   3HG2  ILE   5          3HG2      ILE   5   9.280   7.398   7.548
   27   1HD1  ILE   5          1HD1      ILE   5   8.329   9.836   5.021
   28   2HD1  ILE   5          2HD1      ILE   5   6.731   9.142   4.661
   29   3HD1  ILE   5          3HD1      ILE   5   6.921  10.905   4.815
   30    H    GLY   6           H        GLY   6   8.216   5.195   6.760
   31   1HA   GLY   6          1HA       GLY   6   9.746   5.541   4.391
   32   2HA   GLY   6          2HA       GLY   6   9.676   4.123   5.418
   33    H    LEU   7           H        LEU   7   7.514   2.808   5.257
   34    HA   LEU   7           HA       LEU   7   7.271   1.860   2.685
   35   2HB   LEU   7          2HB       LEU   7   4.901   1.162   3.851
   36    HG   LEU   7           HG       LEU   7   6.692  -0.412   3.074
   37   1HD1  LEU   7          1HD1      LEU   7   8.573   0.607   4.291
   38   2HD1  LEU   7          2HD1      LEU   7   7.871   0.048   5.828
   39   3HD1  LEU   7          3HD1      LEU   7   8.420  -1.135   4.617
   40   1HD2  LEU   7          1HD2      LEU   7   5.166  -1.783   3.948
   41   2HD2  LEU   7          2HD2      LEU   7   6.243  -1.891   5.361
   42   3HD2  LEU   7          3HD2      LEU   7   4.893  -0.730   5.356
   43    H    LYS   8           H        LYS   8   5.315   4.329   4.443
   44    HA   LYS   8           HA       LYS   8   3.322   4.648   2.572
   45   2HB   LYS   8          2HB       LYS   8   4.603   6.576   4.519
   46   2HG   LYS   8          2HG       LYS   8   1.978   7.417   3.918
   47   2HD   LYS   8          2HD       LYS   8   4.754   8.452   3.271
   48   2HE   LYS   8          2HE       LYS   8   2.082   9.737   2.539
   49   1HZ   LYS   8          1HZ       LYS   8   3.567  11.555   1.844
   50   2HZ   LYS   8          2HZ       LYS   8   3.490  11.370   3.465
   51   3HZ   LYS   8          3HZ       LYS   8   4.800  10.841   2.645
   52    H    VAL   9           H        VAL   9   6.205   6.839   2.909
   53    HA   VAL   9           HA       VAL   9   5.909   8.179   0.572
   54    HB   VAL   9           HB       VAL   9   8.262   7.365   2.231
   55   1HG1  VAL   9          1HG1      VAL   9   9.405   9.211   0.610
   56   2HG1  VAL   9          2HG1      VAL   9   9.566   7.454   0.378
   57   3HG1  VAL   9          3HG1      VAL   9   8.362   8.369  -0.560
   58   1HG2  VAL   9          1HG2      VAL   9   6.500   9.264   2.686
   59   2HG2  VAL   9          2HG2      VAL   9   8.230   9.545   2.998
   60   3HG2  VAL   9          3HG2      VAL   9   7.481  10.175   1.512
   61    H    LEU  10           H        LEU  10   7.325   4.917   1.099
   62    HA   LEU  10           HA       LEU  10   8.460   4.507  -1.354
   63   2HB   LEU  10          2HB       LEU  10   6.924   2.289  -0.097
   64    HG   LEU  10           HG       LEU  10   8.969   2.269  -1.884
   65   1HD1  LEU  10          1HD1      LEU  10  10.934   1.370  -0.423
   66   2HD1  LEU  10          2HD1      LEU  10  10.732   3.122  -0.662
   67   3HD1  LEU  10          3HD1      LEU  10  10.193   2.363   0.855
   68   1HD2  LEU  10          1HD2      LEU  10   8.940   0.045   0.104
   69   2HD2  LEU  10          2HD2      LEU  10   7.427   0.424  -0.755
   70   3HD2  LEU  10          3HD2      LEU  10   8.892   0.002  -1.675
   71    H    TYR  11           H        TYR  11   5.152   3.285  -0.475
   72    HA   TYR  11           HA       TYR  11   4.414   2.882  -3.143
   73   2HB   TYR  11          2HB       TYR  11   3.475   2.482  -0.486
   74    HD1  TYR  11           HD1      TYR  11   1.152   3.795  -3.127
   75    HD2  TYR  11           HD2      TYR  11   2.339   3.886   0.983
   76    HE1  TYR  11           HE1      TYR  11  -0.798   5.334  -2.591
   77    HE2  TYR  11           HE2      TYR  11   0.384   5.425   1.505
   78    HH   TYR  11           HH       TYR  11  -1.992   6.229  -0.982
   79    H    LYS  12           H        LYS  12   3.689   5.581  -0.828
   80    HA   LYS  12           HA       LYS  12   2.022   7.019  -2.482
   81   2HB   LYS  12          2HB       LYS  12   3.785   7.653  -0.152
   82   2HG   LYS  12          2HG       LYS  12   2.717  10.025  -0.317
   83   2HD   LYS  12          2HD       LYS  12   4.689   9.926  -2.520
   84   2HE   LYS  12          2HE       LYS  12   4.786  11.026   0.330
   85   1HZ   LYS  12          1HZ       LYS  12   6.591  12.267  -0.464
   86   2HZ   LYS  12          2HZ       LYS  12   6.911  10.723  -0.887
   87   3HZ   LYS  12          3HZ       LYS  12   6.383  11.784  -2.011
   88    H    LEU  13           H        LEU  13   5.493   6.479  -2.654
   89    HA   LEU  13           HA       LEU  13   5.957   8.745  -4.353
   90   2HB   LEU  13          2HB       LEU  13   7.614   6.423  -3.400
   91    HG   LEU  13           HG       LEU  13   8.192   8.177  -5.671
   92   1HD1  LEU  13          1HD1      LEU  13  10.494   7.973  -3.773
   93   2HD1  LEU  13          2HD1      LEU  13  10.181   9.140  -5.080
   94   3HD1  LEU  13          3HD1      LEU  13   9.300   9.271  -3.539
   95   1HD2  LEU  13          1HD2      LEU  13   9.585   5.765  -4.474
   96   2HD2  LEU  13          2HD2      LEU  13   8.396   5.767  -5.798
   97   3HD2  LEU  13          3HD2      LEU  13   9.990   6.524  -6.033
   98    H    MET  14           H        MET  14   5.652   5.158  -4.717
   99    HA   MET  14           HA       MET  14   6.119   5.162  -7.451
  100   2HB   MET  14          2HB       MET  14   4.482   3.285  -5.656
  101   2HG   MET  14          2HG       MET  14   4.228   3.187  -8.316
  102   1HE   MET  14          1HE       MET  14   5.504   4.029  -9.814
  103   2HE   MET  14          2HE       MET  14   7.137   4.389  -9.204
  104   3HE   MET  14          3HE       MET  14   6.928   3.308 -10.602
  105    H    ASP  15           H        ASP  15   2.923   4.530  -5.825
  106    HA   ASP  15           HA       ASP  15   0.890   4.720  -6.625
  107   2HB   ASP  15          2HB       ASP  15   1.985   7.501  -7.259
  108    H    VAL  16           H        VAL  16   0.830   3.310  -8.484
  109    HA   VAL  16           HA       VAL  16   1.390   4.625 -11.051
  110    HB   VAL  16           HB       VAL  16   1.541   1.748 -10.156
  111   1HG1  VAL  16          1HG1      VAL  16   1.152   2.880 -12.884
  112   2HG1  VAL  16          2HG1      VAL  16   2.368   1.592 -12.710
  113   3HG1  VAL  16          3HG1      VAL  16   0.683   1.298 -12.217
  114   1HG2  VAL  16          1HG2      VAL  16   3.796   2.672 -11.668
  115   2HG2  VAL  16          2HG2      VAL  16   3.444   3.852 -10.383
  116   3HG2  VAL  16          3HG2      VAL  16   3.725   2.144  -9.969
  117    H    ASP  17           H        ASP  17  -0.924   5.500 -10.131
  118    HA   ASP  17           HA       ASP  17  -2.803   3.994 -11.715
  119   2HB   ASP  17          2HB       ASP  17  -3.267   4.813  -8.809
  120    H    GLY  18           H        GLY  18  -2.508   6.762  -9.348
  121   1HA   GLY  18          1HA       GLY  18  -2.425   9.010 -10.277
  122   2HA   GLY  18          2HA       GLY  18  -3.673   8.534 -11.411
  123    H    ASP  19           H        ASP  19  -3.043   8.589  -7.829
  124    HA   ASP  19           HA       ASP  19  -5.392  10.076  -7.408
  125   2HB   ASP  19          2HB       ASP  19  -6.775   8.492  -6.309
  126    H    GLY  20           H        GLY  20  -2.921   7.763  -6.131
  127   1HA   GLY  20          1HA       GLY  20  -1.246   8.532  -4.630
  128   2HA   GLY  20          2HA       GLY  20  -2.403   9.635  -3.911
  129    H    LYS  21           H        LYS  21  -4.134   6.830  -4.554
  130    HA   LYS  21           HA       LYS  21  -3.790   5.962  -1.788
  131   2HB   LYS  21          2HB       LYS  21  -6.043   6.619  -2.475
  132   2HG   LYS  21          2HG       LYS  21  -6.551   4.253  -4.149
  133   2HD   LYS  21          2HD       LYS  21  -6.939   7.230  -4.707
  134   2HE   LYS  21          2HE       LYS  21  -8.584   4.848  -5.666
  135   1HZ   LYS  21          1HZ       LYS  21  -9.823   6.566  -6.262
  136   2HZ   LYS  21          2HZ       LYS  21  -8.660   7.674  -5.966
  137   3HZ   LYS  21          3HZ       LYS  21  -8.697   6.893  -7.400
  138    H    LEU  22           H        LEU  22  -3.546   3.696  -1.268
  139    HA   LEU  22           HA       LEU  22  -2.079   2.312  -3.374
  140   2HB   LEU  22          2HB       LEU  22  -2.253   1.495  -0.489
  141    HG   LEU  22           HG       LEU  22  -1.051  -0.098  -1.813
  142   1HD1  LEU  22          1HD1      LEU  22  -0.113   2.286  -3.242
  143   2HD1  LEU  22          2HD1      LEU  22   1.165   1.090  -2.916
  144   3HD1  LEU  22          3HD1      LEU  22  -0.304   0.606  -3.799
  145   1HD2  LEU  22          1HD2      LEU  22   1.200   1.504  -0.653
  146   2HD2  LEU  22          2HD2      LEU  22  -0.086   0.892   0.414
  147   3HD2  LEU  22          3HD2      LEU  22   0.874  -0.243  -0.564
  148    H    THR  23           H        THR  23  -3.724   1.488  -4.700
  149    HA   THR  23           HA       THR  23  -5.766  -0.145  -3.390
  150    HB   THR  23           HB       THR  23  -7.047   0.341  -5.274
  151    HG1  THR  23           HG1      THR  23  -4.501   0.573  -6.711
  152   1HG2  THR  23          1HG2      THR  23  -6.804   2.582  -5.809
  153   2HG2  THR  23          2HG2      THR  23  -5.593   2.549  -4.506
  154   3HG2  THR  23          3HG2      THR  23  -5.078   2.394  -6.203
  155    H    LYS  24           H        LYS  24  -6.326  -2.272  -4.461
  156    HA   LYS  24           HA       LYS  24  -4.170  -3.977  -4.241
  157   2HB   LYS  24          2HB       LYS  24  -5.946  -5.395  -5.766
  158   2HG   LYS  24          2HG       LYS  24  -7.110  -5.518  -3.278
  159   2HD   LYS  24          2HD       LYS  24  -4.530  -6.823  -3.105
  160   2HE   LYS  24          2HE       LYS  24  -7.115  -7.492  -2.584
  161   1HZ   LYS  24          1HZ       LYS  24  -6.449  -8.901  -5.074
  162   2HZ   LYS  24          2HZ       LYS  24  -7.792  -9.102  -4.167
  163   3HZ   LYS  24          3HZ       LYS  24  -7.551  -7.701  -4.971
  164    H    GLU  25           H        GLU  25  -5.946  -3.306  -7.341
  165    HA   GLU  25           HA       GLU  25  -4.251  -4.404  -9.044
  166   2HB   GLU  25          2HB       GLU  25  -5.121  -1.679  -9.885
  167   2HG   GLU  25          2HG       GLU  25  -5.928  -4.437 -10.903
  168    H    GLU  26           H        GLU  26  -3.890  -1.082  -7.642
  169    HA   GLU  26           HA       GLU  26  -1.607  -0.433  -9.050
  170   2HB   GLU  26          2HB       GLU  26  -2.569   0.481  -6.305
  171   2HG   GLU  26          2HG       GLU  26  -0.256   1.322  -8.041
  172    H    VAL  27           H        VAL  27  -2.080  -2.124  -5.901
  173    HA   VAL  27           HA       VAL  27   0.703  -2.249  -5.336
  174    HB   VAL  27           HB       VAL  27  -1.827  -3.378  -4.221
  175   1HG1  VAL  27          1HG1      VAL  27   0.837  -4.651  -4.014
  176   2HG1  VAL  27          2HG1      VAL  27  -0.003  -4.386  -2.468
  177   3HG1  VAL  27          3HG1      VAL  27  -0.787  -5.331  -3.756
  178   1HG2  VAL  27          1HG2      VAL  27  -1.138  -1.175  -3.491
  179   2HG2  VAL  27          2HG2      VAL  27  -0.934  -2.324  -2.146
  180   3HG2  VAL  27          3HG2      VAL  27   0.484  -1.778  -3.073
  181    H    THR  28           H        THR  28  -1.711  -4.833  -6.207
  182    HA   THR  28           HA       THR  28  -0.129  -6.937  -6.584
  183    HB   THR  28           HB       THR  28  -2.165  -6.118  -8.701
  184    HG1  THR  28           HG1      THR  28  -2.541  -7.139  -5.976
  185   1HG2  THR  28          1HG2      THR  28  -2.722  -8.639  -7.528
  186   2HG2  THR  28          2HG2      THR  28  -2.029  -8.358  -9.142
  187   3HG2  THR  28          3HG2      THR  28  -0.956  -8.617  -7.747
  188    H    SER  29           H        SER  29  -0.660  -4.508  -9.233
  189    HA   SER  29           HA       SER  29   1.253  -5.643 -10.872
  190   2HB   SER  29          2HB       SER  29   0.794  -2.682 -11.018
  191    HG   SER  29           HG       SER  29   1.731  -3.641 -12.836
  192    H    PHE  30           H        PHE  30   1.471  -2.508  -9.019
  193    HA   PHE  30           HA       PHE  30   4.067  -1.940  -9.387
  194   2HB   PHE  30          2HB       PHE  30   2.317  -1.843  -6.861
  195    HD1  PHE  30           HD1      PHE  30   2.818  -0.089  -5.177
  196    HD2  PHE  30           HD2      PHE  30   5.617  -1.153  -8.183
  197    HE1  PHE  30           HE1      PHE  30   4.650   1.015  -3.863
  198    HE2  PHE  30           HE2      PHE  30   7.449  -0.050  -6.868
  199    HZ   PHE  30           HZ       PHE  30   6.943   1.022  -4.724
  200    H    PHE  31           H        PHE  31   2.723  -4.249  -6.946
  201    HA   PHE  31           HA       PHE  31   5.339  -4.849  -5.950
  202   2HB   PHE  31          2HB       PHE  31   3.798  -6.736  -4.861
  203    HD1  PHE  31           HD1      PHE  31   4.219  -6.225  -2.660
  204    HD2  PHE  31           HD2      PHE  31   2.586  -3.209  -5.158
  205    HE1  PHE  31           HE1      PHE  31   4.110  -4.661  -0.700
  206    HE2  PHE  31           HE2      PHE  31   2.477  -1.645  -3.199
  207    HZ   PHE  31           HZ       PHE  31   3.240  -2.390  -0.993
  208    H    LYS  32           H        LYS  32   3.301  -5.933  -8.574
  209    HA   LYS  32           HA       LYS  32   3.853  -8.575  -8.808
  210   2HB   LYS  32          2HB       LYS  32   3.837  -6.590 -11.098
  211   2HG   LYS  32          2HG       LYS  32   2.403  -8.832 -11.827
  212   2HD   LYS  32          2HD       LYS  32   4.594  -9.531 -13.007
  213   2HE   LYS  32          2HE       LYS  32   4.657  -7.445 -14.408
  214   1HZ   LYS  32          1HZ       LYS  32   1.913  -8.117 -13.617
  215   2HZ   LYS  32          2HZ       LYS  32   2.424  -7.587 -15.074
  216   3HZ   LYS  32          3HZ       LYS  32   2.827  -9.084 -14.562
  217    H    LYS  33           H        LYS  33   6.079  -5.859  -9.043
  218    HA   LYS  33           HA       LYS  33   8.095  -7.356 -10.418
  219   2HB   LYS  33          2HB       LYS  33   9.453  -5.260  -9.514
  220   2HG   LYS  33          2HG       LYS  33   7.803  -4.030 -11.422
  221   2HD   LYS  33          2HD       LYS  33   9.646  -5.659 -12.844
  222   2HE   LYS  33          2HE       LYS  33   9.156  -3.092 -12.892
  223   1HZ   LYS  33          1HZ       LYS  33   9.988  -1.914 -11.248
  224   2HZ   LYS  33          2HZ       LYS  33  10.371  -3.284 -10.448
  225   3HZ   LYS  33          3HZ       LYS  33  11.475  -2.567 -11.413
  226    H    HIS  34           H        HIS  34   7.339  -6.411  -7.025
  227    HA   HIS  34           HA       HIS  34   9.703  -7.728  -6.076
  228   2HB   HIS  34          2HB       HIS  34   8.933  -7.048  -3.874
  229    HD1  HIS  34           HD1      HIS  34  10.327  -5.038  -3.429
  230    HD2  HIS  34           HD2      HIS  34   7.864  -4.519  -6.785
  231    HE1  HIS  34           HE1      HIS  34  10.807  -2.692  -4.313
  232    H    GLY  35           H        GLY  35   7.680  -8.529  -3.690
  233   1HA   GLY  35          1HA       GLY  35   7.221 -11.225  -4.792
  234   2HA   GLY  35          2HA       GLY  35   7.451 -10.817  -3.104
  235    H    ILE  36           H        ILE  36   5.349  -9.259  -5.618
  236    HA   ILE  36           HA       ILE  36   3.261  -8.526  -4.235
  237    HB   ILE  36           HB       ILE  36   3.545  -8.500  -6.713
  238   2HG1  ILE  36          2HG1      ILE  36   1.124  -8.494  -7.188
  239   1HG2  ILE  36          1HG2      ILE  36   3.984 -10.871  -7.078
  240   2HG2  ILE  36          2HG2      ILE  36   2.333 -11.272  -6.545
  241   3HG2  ILE  36          3HG2      ILE  36   2.583 -10.326  -8.032
  242   1HD1  ILE  36          1HD1      ILE  36   0.861 -10.561  -5.473
  243   2HD1  ILE  36          2HD1      ILE  36   0.544  -9.229  -4.336
  244   3HD1  ILE  36          3HD1      ILE  36  -0.469  -9.421  -5.787
  245    H    GLU  37           H        GLU  37   3.796 -11.978  -5.203
  246    HA   GLU  37           HA       GLU  37   1.657 -13.203  -4.392
  247   2HB   GLU  37          2HB       GLU  37   3.507 -14.820  -3.137
  248   2HG   GLU  37          2HG       GLU  37   4.021 -15.298  -5.822
  249    H    LYS  38           H        LYS  38   4.265 -12.312  -2.009
  250    HA   LYS  38           HA       LYS  38   2.855 -13.060   0.251
  251   2HB   LYS  38          2HB       LYS  38   4.944 -10.881  -0.044
  252   2HG   LYS  38          2HG       LYS  38   3.417 -11.717   2.212
  253   2HD   LYS  38          2HD       LYS  38   5.844 -12.314   3.431
  254   2HE   LYS  38          2HE       LYS  38   3.708 -14.230   2.378
  255   1HZ   LYS  38          1HZ       LYS  38   4.984 -15.777   3.252
  256   2HZ   LYS  38          2HZ       LYS  38   6.102 -14.698   3.753
  257   3HZ   LYS  38          3HZ       LYS  38   4.842 -15.079   4.720
  258    H    VAL  39           H        VAL  39   3.390  -9.629  -0.828
  259    HA   VAL  39           HA       VAL  39   1.575  -8.443   0.782
  260    HB   VAL  39           HB       VAL  39   3.202  -7.686  -1.246
  261   1HG1  VAL  39          1HG1      VAL  39   1.677  -8.236  -3.030
  262   2HG1  VAL  39          2HG1      VAL  39   0.359  -7.330  -2.250
  263   3HG1  VAL  39          3HG1      VAL  39   1.772  -6.463  -2.899
  264   1HG2  VAL  39          1HG2      VAL  39   1.252  -6.354   0.528
  265   2HG2  VAL  39          2HG2      VAL  39   2.973  -6.003   0.238
  266   3HG2  VAL  39          3HG2      VAL  39   1.738  -5.403  -0.896
  267    H    ALA  40           H        ALA  40   0.972 -10.476  -2.065
  268    HA   ALA  40           HA       ALA  40  -1.650  -9.703  -2.583
  269   1HB   ALA  40          1HB       ALA  40  -1.646 -11.501  -4.028
  270   2HB   ALA  40          2HB       ALA  40   0.108 -11.336  -3.768
  271   3HB   ALA  40          3HB       ALA  40  -0.814 -12.569  -2.872
  272    H    GLU  41           H        GLU  41  -0.357 -12.389  -0.502
  273    HA   GLU  41           HA       GLU  41  -2.931 -13.022   0.440
  274   2HB   GLU  41          2HB       GLU  41  -0.345 -13.738   1.858
  275   2HG   GLU  41          2HG       GLU  41  -3.121 -14.596   1.952
  276    H    GLN  42           H        GLN  42  -0.152 -11.098   1.701
  277    HA   GLN  42           HA       GLN  42  -1.195 -10.660   4.217
  278   2HB   GLN  42          2HB       GLN  42   0.279  -8.384   3.742
  279   2HG   GLN  42          2HG       GLN  42   2.046 -10.708   3.994
  280   1HE2  GLN  42          1HE2      GLN  42   0.824 -10.125   6.966
  281   2HE2  GLN  42          2HE2      GLN  42   1.794  -8.788   7.486
  282    H    VAL  43           H        VAL  43  -1.329  -8.561   1.249
  283    HA   VAL  43           HA       VAL  43  -2.926  -6.586   2.388
  284    HB   VAL  43           HB       VAL  43  -2.660  -7.500  -0.484
  285   1HG1  VAL  43          1HG1      VAL  43  -3.354  -5.174  -1.042
  286   2HG1  VAL  43          2HG1      VAL  43  -4.636  -6.121  -0.250
  287   3HG1  VAL  43          3HG1      VAL  43  -3.725  -4.905   0.678
  288   1HG2  VAL  43          1HG2      VAL  43  -0.701  -6.400  -0.618
  289   2HG2  VAL  43          2HG2      VAL  43  -1.278  -5.050   0.388
  290   3HG2  VAL  43          3HG2      VAL  43  -0.677  -6.537   1.156
  291    H    MET  44           H        MET  44  -3.717  -9.684   0.742
  292    HA   MET  44           HA       MET  44  -6.389  -9.297   0.400
  293   2HB   MET  44          2HB       MET  44  -4.802 -11.803   1.178
  294   2HG   MET  44          2HG       MET  44  -7.380 -11.975  -0.360
  295   1HE   MET  44          1HE       MET  44  -8.071 -15.598   0.572
  296   2HE   MET  44          2HE       MET  44  -8.814 -14.198   1.382
  297   3HE   MET  44          3HE       MET  44  -8.513 -14.155  -0.372
  298    H    LYS  45           H        LYS  45  -4.623 -10.470   3.330
  299    HA   LYS  45           HA       LYS  45  -7.080 -10.759   4.791
  300   2HB   LYS  45          2HB       LYS  45  -5.309 -11.108   6.692
  301   2HG   LYS  45          2HG       LYS  45  -6.248 -12.815   4.463
  302   2HD   LYS  45          2HD       LYS  45  -3.747 -13.587   6.041
  303   2HE   LYS  45          2HE       LYS  45  -4.392 -15.496   4.022
  304   1HZ   LYS  45          1HZ       LYS  45  -4.365 -15.434   6.932
  305   2HZ   LYS  45          2HZ       LYS  45  -4.916 -16.769   6.170
  306   3HZ   LYS  45          3HZ       LYS  45  -3.389 -16.252   5.909
  307    H    ALA  46           H        ALA  46  -4.833  -8.223   4.006
  308    HA   ALA  46           HA       ALA  46  -5.323  -6.675   6.361
  309   1HB   ALA  46          1HB       ALA  46  -3.707  -5.301   5.505
  310   2HB   ALA  46          2HB       ALA  46  -3.355  -6.725   4.498
  311   3HB   ALA  46          3HB       ALA  46  -4.349  -5.399   3.849
  312    H    ASP  47           H        ASP  47  -6.328  -6.486   2.872
  313    HA   ASP  47           HA       ASP  47  -8.259  -4.496   3.592
  314   2HB   ASP  47          2HB       ASP  47  -7.900  -5.885   0.902
  315    H    ALA  48           H        ALA  48  -8.990  -6.649   5.047
  316    HA   ALA  48           HA       ALA  48 -10.917  -8.164   3.437
  317   1HB   ALA  48          1HB       ALA  48 -10.915  -9.693   5.436
  318   2HB   ALA  48          2HB       ALA  48  -9.330  -9.552   4.635
  319   3HB   ALA  48          3HB       ALA  48  -9.643  -8.675   6.153
  320    H    ASN  49           H        ASN  49 -10.513  -5.650   5.833
  321    HA   ASN  49           HA       ASN  49 -13.016  -5.971   7.056
  322   2HB   ASN  49          2HB       ASN  49 -11.566  -3.306   6.820
  323   1HD2  ASN  49          1HD2      ASN  49 -11.765  -5.178   9.704
  324   2HD2  ASN  49          2HD2      ASN  49 -13.062  -4.335  10.483
  325    H    GLY  50           H        GLY  50 -11.960  -4.867   3.959
  326   1HA   GLY  50          1HA       GLY  50 -14.611  -4.042   3.214
  327   2HA   GLY  50          2HA       GLY  50 -13.476  -2.708   3.286
  328    H    ASP  51           H        ASP  51 -12.626  -2.218   1.317
  329    HA   ASP  51           HA       ASP  51 -11.150  -4.021  -0.127
  330   2HB   ASP  51          2HB       ASP  51 -13.719  -3.400  -1.618
  331    H    GLY  52           H        GLY  52 -10.384  -1.604   0.565
  332   1HA   GLY  52          1HA       GLY  52 -10.921   0.176  -1.738
  333   2HA   GLY  52          2HA       GLY  52 -10.723   0.751  -0.095
  334    H    TYR  53           H        TYR  53  -8.889   2.063  -0.648
  335    HA   TYR  53           HA       TYR  53  -6.476   0.476  -1.220
  336   2HB   TYR  53          2HB       TYR  53  -6.774   1.886  -3.126
  337    HD1  TYR  53           HD1      TYR  53  -8.496   2.961  -4.229
  338    HD2  TYR  53           HD2      TYR  53  -7.486   4.232  -0.271
  339    HE1  TYR  53           HE1      TYR  53 -10.326   4.724  -4.321
  340    HE2  TYR  53           HE2      TYR  53  -9.320   5.990  -0.376
  341    HH   TYR  53           HH       TYR  53 -11.459   6.287  -1.601
  342    H    ILE  54           H        ILE  54  -4.421   1.612  -0.430
  343    HA   ILE  54           HA       ILE  54  -4.983   2.628   2.252
  344    HB   ILE  54           HB       ILE  54  -3.068   0.812   1.105
  345   2HG1  ILE  54          2HG1      ILE  54  -4.102   1.567   3.815
  346   1HG2  ILE  54          1HG2      ILE  54  -1.961   3.255   2.483
  347   2HG2  ILE  54          2HG2      ILE  54  -1.128   1.684   2.538
  348   3HG2  ILE  54          3HG2      ILE  54  -1.429   2.478   0.973
  349   1HD1  ILE  54          1HD1      ILE  54  -4.737  -0.788   3.845
  350   2HD1  ILE  54          2HD1      ILE  54  -5.263  -0.088   2.295
  351   3HD1  ILE  54          3HD1      ILE  54  -3.801  -1.102   2.364
  352    H    THR  55           H        THR  55  -5.270   4.814   2.193
  353    HA   THR  55           HA       THR  55  -3.489   6.370   0.469
  354    HB   THR  55           HB       THR  55  -5.160   8.132   0.794
  355    HG1  THR  55           HG1      THR  55  -6.472   6.230   2.579
  356   1HG2  THR  55          1HG2      THR  55  -6.594   7.051  -0.618
  357   2HG2  THR  55          2HG2      THR  55  -5.939   5.478  -0.104
  358   3HG2  THR  55          3HG2      THR  55  -7.294   6.211   0.786
  359    H    LEU  56           H        LEU  56  -2.063   7.924   1.206
  360    HA   LEU  56           HA       LEU  56  -0.598   7.485   3.376
  361   2HB   LEU  56          2HB       LEU  56  -1.272   9.941   1.841
  362    HG   LEU  56           HG       LEU  56   0.683  11.063   3.078
  363   1HD1  LEU  56          1HD1      LEU  56  -1.942  10.953   4.578
  364   2HD1  LEU  56          2HD1      LEU  56  -0.794  12.307   4.466
  365   3HD1  LEU  56          3HD1      LEU  56  -1.723  11.808   3.032
  366   1HD2  LEU  56          1HD2      LEU  56   0.514   8.724   4.634
  367   2HD2  LEU  56          2HD2      LEU  56   1.528  10.158   4.919
  368   3HD2  LEU  56          3HD2      LEU  56  -0.085  10.047   5.663
  369    H    GLU  57           H        GLU  57  -3.706   9.302   3.310
  370    HA   GLU  57           HA       GLU  57  -3.558  10.087   5.981
  371   2HB   GLU  57          2HB       GLU  57  -5.044  11.212   4.406
  372   2HG   GLU  57          2HG       GLU  57  -6.654   8.618   4.343
  373    H    GLU  58           H        GLU  58  -5.218   7.316   4.329
  374    HA   GLU  58           HA       GLU  58  -6.242   6.289   6.726
  375   2HB   GLU  58          2HB       GLU  58  -5.736   4.838   4.091
  376   2HG   GLU  58          2HG       GLU  58  -6.549   3.733   6.467
  377    H    PHE  59           H        PHE  59  -3.269   5.689   4.793
  378    HA   PHE  59           HA       PHE  59  -2.393   3.416   6.088
  379   2HB   PHE  59          2HB       PHE  59  -0.506   5.667   5.304
  380    HD1  PHE  59           HD1      PHE  59  -0.108   3.897   2.631
  381    HD2  PHE  59           HD2      PHE  59   0.117   3.180   6.807
  382    HE1  PHE  59           HE1      PHE  59   1.504   2.017   2.221
  383    HE2  PHE  59           HE2      PHE  59   1.730   1.299   6.397
  384    HZ   PHE  59           HZ       PHE  59   2.404   0.741   4.109
  385    H    LEU  60           H        LEU  60  -1.941   6.903   6.924
  386    HA   LEU  60           HA       LEU  60  -0.240   6.330   9.122
  387   2HB   LEU  60          2HB       LEU  60  -1.814   8.859   8.868
  388    HG   LEU  60           HG       LEU  60   0.606   8.074  10.204
  389   1HD1  LEU  60          1HD1      LEU  60   1.314   9.055   7.768
  390   2HD1  LEU  60          2HD1      LEU  60   1.258  10.548   8.736
  391   3HD1  LEU  60          3HD1      LEU  60   2.298   9.196   9.244
  392   1HD2  LEU  60          1HD2      LEU  60  -0.784   9.404  11.449
  393   2HD2  LEU  60          2HD2      LEU  60   0.392  10.612  10.875
  394   3HD2  LEU  60          3HD2      LEU  60  -1.192  10.463  10.076
  395    H    GLU  61           H        GLU  61  -3.600   7.723   9.057
  396    HA   GLU  61           HA       GLU  61  -4.158   7.497  11.652
  397   2HB   GLU  61          2HB       GLU  61  -6.299   6.624   9.720
  398   2HG   GLU  61          2HG       GLU  61  -6.626   9.058  11.365
  399    H    PHE  62           H        PHE  62  -3.892   4.858   9.293
  400    HA   PHE  62           HA       PHE  62  -5.150   2.935  10.995
  401   2HB   PHE  62          2HB       PHE  62  -3.390   2.870   8.475
  402    HD1  PHE  62           HD1      PHE  62  -2.056   0.965   9.548
  403    HD2  PHE  62           HD2      PHE  62  -6.193   0.672   8.650
  404    HE1  PHE  62           HE1      PHE  62  -1.896  -1.538   9.625
  405    HE2  PHE  62           HE2      PHE  62  -6.033  -1.831   8.728
  406    HZ   PHE  62           HZ       PHE  62  -3.886  -2.907   9.214
  407    H    SER  63           H        SER  63  -1.750   3.620   9.909
  408    HA   SER  63           HA       SER  63  -0.598   1.595  11.371
  409   2HB   SER  63          2HB       SER  63   0.739   4.273  10.838
  410    HG   SER  63           HG       SER  63   2.254   2.227  10.079
  411    H    LEU  64           H        LEU  64  -1.799   4.796  12.303
  412    HA   LEU  64           HA       LEU  64  -0.363   4.893  14.768
  413   2HB   LEU  64          2HB       LEU  64  -2.838   6.463  14.107
  414    HG   LEU  64           HG       LEU  64  -1.648   8.321  15.163
  415   1HD1  LEU  64          1HD1      LEU  64  -1.792   5.866  16.935
  416   2HD1  LEU  64          2HD1      LEU  64  -1.774   7.559  17.486
  417   3HD1  LEU  64          3HD1      LEU  64  -3.143   6.951  16.523
  418   1HD2  LEU  64          1HD2      LEU  64   0.631   6.647  14.829
  419   2HD2  LEU  64          2HD2      LEU  64   0.551   8.323  15.423
  420   3HD2  LEU  64          3HD2      LEU  64   0.430   6.966  16.567
  Start of MODEL   16
    1   1H    SER   1          HT1       SER   1   9.580   8.689  12.744
    2    HA   SER   1           HA       SER   1   7.814   6.596  13.389
    3   2HB   SER   1          2HB       SER   1   6.355   8.160  11.411
    4    HG   SER   1           HG       SER   1   5.456   7.621  14.082
    5    H    ASP   2           H        ASP   2   9.997   5.924  12.327
    6    HA   ASP   2           HA       ASP   2  10.269   6.489   9.574
    7   2HB   ASP   2          2HB       ASP   2  12.243   5.218   9.701
    8    H    ASP   3           H        ASP   3   8.537   4.174  11.569
    9    HA   ASP   3           HA       ASP   3   8.454   2.066   9.735
   10   2HB   ASP   3          2HB       ASP   3   6.156   1.751  11.198
   11    H    LYS   4           H        LYS   4   6.795   5.153  10.089
   12    HA   LYS   4           HA       LYS   4   4.662   4.316   8.277
   13   2HB   LYS   4          2HB       LYS   4   3.591   6.430   8.907
   14   2HG   LYS   4          2HG       LYS   4   4.637   4.769  11.247
   15   2HD   LYS   4          2HD       LYS   4   3.693   7.020  11.931
   16   2HE   LYS   4          2HE       LYS   4   1.012   6.870  11.710
   17   1HZ   LYS   4          1HZ       LYS   4   1.694   7.943   9.333
   18   2HZ   LYS   4          2HZ       LYS   4   1.647   8.743  10.755
   19   3HZ   LYS   4          3HZ       LYS   4   3.058   8.129  10.211
   20    H    ILE   5           H        ILE   5   7.594   6.309   8.546
   21    HA   ILE   5           HA       ILE   5   7.143   7.819   6.211
   22    HB   ILE   5           HB       ILE   5   9.576   7.150   7.848
   23   2HG1  ILE   5          2HG1      ILE   5   7.647   8.723   8.610
   24   1HG2  ILE   5          1HG2      ILE   5  10.737   7.527   5.940
   25   2HG2  ILE   5          2HG2      ILE   5   9.413   8.438   5.176
   26   3HG2  ILE   5          3HG2      ILE   5  10.449   9.225   6.391
   27   1HD1  ILE   5          1HD1      ILE   5   9.822   8.563   9.768
   28   2HD1  ILE   5          2HD1      ILE   5  10.561   9.635   8.555
   29   3HD1  ILE   5          3HD1      ILE   5   9.310  10.264   9.654
   30    H    GLY   6           H        GLY   6   9.535   5.133   6.750
   31   1HA   GLY   6          1HA       GLY   6  10.337   4.622   4.254
   32   2HA   GLY   6          2HA       GLY   6  10.015   3.356   5.421
   33    H    LEU   7           H        LEU   7   7.548   2.751   5.645
   34    HA   LEU   7           HA       LEU   7   6.698   1.643   3.312
   35   2HB   LEU   7          2HB       LEU   7   4.486   2.401   5.043
   36    HG   LEU   7           HG       LEU   7   4.586   0.327   3.615
   37   1HD1  LEU   7          1HD1      LEU   7   6.692  -0.587   3.802
   38   2HD1  LEU   7          2HD1      LEU   7   6.771  -0.328   5.562
   39   3HD1  LEU   7          3HD1      LEU   7   5.755  -1.630   4.899
   40   1HD2  LEU   7          1HD2      LEU   7   4.147  -0.300   6.538
   41   2HD2  LEU   7          2HD2      LEU   7   3.038   0.712   5.582
   42   3HD2  LEU   7          3HD2      LEU   7   3.318  -0.984   5.119
   43    H    LYS   8           H        LYS   8   5.692   4.822   4.732
   44    HA   LYS   8           HA       LYS   8   3.870   5.496   2.772
   45   2HB   LYS   8          2HB       LYS   8   5.647   7.182   4.550
   46   2HG   LYS   8          2HG       LYS   8   3.412   7.967   2.632
   47   2HD   LYS   8          2HD       LYS   8   3.336  10.146   3.744
   48   2HE   LYS   8          2HE       LYS   8   2.261   7.833   4.831
   49   1HZ   LYS   8          1HZ       LYS   8   3.610   7.496   6.588
   50   2HZ   LYS   8          2HZ       LYS   8   4.073   9.056   6.727
   51   3HZ   LYS   8          3HZ       LYS   8   2.613   8.584   7.286
   52    H    VAL   9           H        VAL   9   7.450   5.913   2.886
   53    HA   VAL   9           HA       VAL   9   7.715   7.454   0.610
   54    HB   VAL   9           HB       VAL   9   9.586   5.287   1.576
   55   1HG1  VAL   9          1HG1      VAL   9  10.551   6.049  -0.372
   56   2HG1  VAL   9          2HG1      VAL   9   9.855   7.679  -0.213
   57   3HG1  VAL   9          3HG1      VAL   9  11.238   7.200   0.799
   58   1HG2  VAL   9          1HG2      VAL   9  10.394   7.774   2.623
   59   2HG2  VAL   9          2HG2      VAL   9   8.646   7.660   2.942
   60   3HG2  VAL   9          3HG2      VAL   9   9.741   6.379   3.516
   61    H    LEU  10           H        LEU  10   8.323   3.873   0.789
   62    HA   LEU  10           HA       LEU  10   8.371   3.439  -1.907
   63   2HB   LEU  10          2HB       LEU  10   7.195   1.164  -0.784
   64    HG   LEU  10           HG       LEU  10   9.901   1.984  -1.591
   65   1HD1  LEU  10          1HD1      LEU  10  11.213   0.724  -0.241
   66   2HD1  LEU  10          2HD1      LEU  10   9.926   1.085   0.934
   67   3HD1  LEU  10          3HD1      LEU  10   9.937  -0.475   0.076
   68   1HD2  LEU  10          1HD2      LEU  10   8.266  -0.553  -1.831
   69   2HD2  LEU  10          2HD2      LEU  10   8.546   0.688  -3.076
   70   3HD2  LEU  10          3HD2      LEU  10   9.892  -0.336  -2.523
   71    H    TYR  11           H        TYR  11   5.514   3.348   0.319
   72    HA   TYR  11           HA       TYR  11   3.618   2.607  -1.530
   73   2HB   TYR  11          2HB       TYR  11   3.781   4.373   0.959
   74    HD1  TYR  11           HD1      TYR  11   1.508   3.593  -1.825
   75    HD2  TYR  11           HD2      TYR  11   1.808   5.252   2.107
   76    HE1  TYR  11           HE1      TYR  11  -0.793   4.642  -2.084
   77    HE2  TYR  11           HE2      TYR  11  -0.495   6.296   1.834
   78    HH   TYR  11           HH       TYR  11  -2.649   5.350  -0.379
   79    H    LYS  12           H        LYS  12   4.510   5.992  -0.530
   80    HA   LYS  12           HA       LYS  12   2.845   7.259  -2.338
   81   2HB   LYS  12          2HB       LYS  12   5.341   8.038  -0.855
   82   2HG   LYS  12          2HG       LYS  12   4.552  10.435  -1.719
   83   2HD   LYS  12          2HD       LYS  12   6.058   9.054  -3.883
   84   2HE   LYS  12          2HE       LYS  12   6.340  11.452  -2.074
   85   1HZ   LYS  12          1HZ       LYS  12   8.537  10.113  -3.491
   86   2HZ   LYS  12          2HZ       LYS  12   8.605  11.658  -2.965
   87   3HZ   LYS  12          3HZ       LYS  12   8.454  10.436  -1.893
   88    H    LEU  13           H        LEU  13   5.976   5.656  -2.768
   89    HA   LEU  13           HA       LEU  13   6.404   6.847  -5.347
   90   2HB   LEU  13          2HB       LEU  13   7.806   4.535  -4.000
   91    HG   LEU  13           HG       LEU  13   8.163   5.324  -6.590
   92   1HD1  LEU  13          1HD1      LEU  13  10.622   6.517  -5.831
   93   2HD1  LEU  13          2HD1      LEU  13   9.288   7.224  -6.774
   94   3HD1  LEU  13          3HD1      LEU  13   9.321   7.405  -5.003
   95   1HD2  LEU  13          1HD2      LEU  13  10.083   3.990  -6.577
   96   2HD2  LEU  13          2HD2      LEU  13  10.495   4.429  -4.902
   97   3HD2  LEU  13          3HD2      LEU  13   9.107   3.363  -5.227
   98    H    MET  14           H        MET  14   4.819   4.006  -3.961
   99    HA   MET  14           HA       MET  14   4.774   2.591  -6.415
  100   2HB   MET  14          2HB       MET  14   2.662   1.808  -4.559
  101   2HG   MET  14          2HG       MET  14   4.427   0.489  -6.134
  102   1HE   MET  14          1HE       MET  14   6.770  -1.837  -3.651
  103   2HE   MET  14          2HE       MET  14   5.094  -1.931  -4.242
  104   3HE   MET  14          3HE       MET  14   6.436  -1.747  -5.396
  105    H    ASP  15           H        ASP  15   2.401   4.561  -4.514
  106    HA   ASP  15           HA       ASP  15   0.259   4.137  -6.188
  107   2HB   ASP  15          2HB       ASP  15   1.075   6.283  -4.233
  108    H    VAL  16           H        VAL  16   1.043   4.315  -8.420
  109    HA   VAL  16           HA       VAL  16   1.789   7.049  -9.201
  110    HB   VAL  16           HB       VAL  16   2.552   4.328 -10.215
  111   1HG1  VAL  16          1HG1      VAL  16   2.786   6.927 -11.770
  112   2HG1  VAL  16          2HG1      VAL  16   3.530   5.375 -12.223
  113   3HG1  VAL  16          3HG1      VAL  16   1.758   5.535 -12.189
  114   1HG2  VAL  16          1HG2      VAL  16   4.682   6.198 -10.289
  115   2HG2  VAL  16          2HG2      VAL  16   3.826   6.451  -8.749
  116   3HG2  VAL  16          3HG2      VAL  16   4.451   4.837  -9.165
  117    H    ASP  17           H        ASP  17  -0.527   4.426  -9.449
  118    HA   ASP  17           HA       ASP  17  -1.668   4.640 -11.801
  119   2HB   ASP  17          2HB       ASP  17  -3.076   4.711  -9.093
  120    H    GLY  18           H        GLY  18  -2.013   6.979  -9.056
  121   1HA   GLY  18          1HA       GLY  18  -2.091   9.323  -9.564
  122   2HA   GLY  18          2HA       GLY  18  -3.073   8.965 -10.971
  123    H    ASP  19           H        ASP  19  -3.772   7.006  -8.168
  124    HA   ASP  19           HA       ASP  19  -6.256   8.453  -7.894
  125   2HB   ASP  19          2HB       ASP  19  -6.755   6.394  -6.353
  126    H    GLY  20           H        GLY  20  -3.427   7.189  -6.014
  127   1HA   GLY  20          1HA       GLY  20  -2.476   8.630  -4.331
  128   2HA   GLY  20          2HA       GLY  20  -4.098   9.096  -3.856
  129    H    LYS  21           H        LYS  21  -5.109   6.235  -4.245
  130    HA   LYS  21           HA       LYS  21  -4.168   5.283  -1.652
  131   2HB   LYS  21          2HB       LYS  21  -6.539   5.583  -1.779
  132   2HG   LYS  21          2HG       LYS  21  -7.335   3.595  -3.684
  133   2HD   LYS  21          2HD       LYS  21  -7.479   6.613  -4.060
  134   2HE   LYS  21          2HE       LYS  21  -9.357   4.293  -4.714
  135   1HZ   LYS  21          1HZ       LYS  21  -9.672   7.155  -5.293
  136   2HZ   LYS  21          2HZ       LYS  21 -10.736   5.962  -5.629
  137   3HZ   LYS  21          3HZ       LYS  21 -10.448   6.387  -4.078
  138    H    LEU  22           H        LEU  22  -3.494   3.080  -1.345
  139    HA   LEU  22           HA       LEU  22  -2.264   2.015  -3.764
  140   2HB   LEU  22          2HB       LEU  22  -1.673   0.697  -1.226
  141    HG   LEU  22           HG       LEU  22  -0.157   0.355  -3.049
  142   1HD1  LEU  22          1HD1      LEU  22   1.167   2.712  -3.587
  143   2HD1  LEU  22          2HD1      LEU  22  -0.065   1.943  -4.616
  144   3HD1  LEU  22          3HD1      LEU  22  -0.533   3.226  -3.475
  145   1HD2  LEU  22          1HD2      LEU  22   1.178   0.234  -1.219
  146   2HD2  LEU  22          2HD2      LEU  22   1.944   1.635  -2.004
  147   3HD2  LEU  22          3HD2      LEU  22   0.784   1.882  -0.677
  148    H    THR  23           H        THR  23  -3.982   1.012  -4.847
  149    HA   THR  23           HA       THR  23  -5.550  -0.929  -3.333
  150    HB   THR  23           HB       THR  23  -7.114  -0.684  -5.080
  151    HG1  THR  23           HG1      THR  23  -4.703   0.035  -6.592
  152   1HG2  THR  23          1HG2      THR  23  -5.841   1.829  -6.003
  153   2HG2  THR  23          2HG2      THR  23  -7.432   1.587  -5.243
  154   3HG2  THR  23          3HG2      THR  23  -5.974   1.727  -4.231
  155    H    LYS  24           H        LYS  24  -5.900  -3.120  -4.224
  156    HA   LYS  24           HA       LYS  24  -3.511  -4.463  -4.475
  157   2HB   LYS  24          2HB       LYS  24  -6.015  -5.608  -5.657
  158   2HG   LYS  24          2HG       LYS  24  -3.625  -6.503  -4.059
  159   2HD   LYS  24          2HD       LYS  24  -6.261  -7.141  -3.208
  160   2HE   LYS  24          2HE       LYS  24  -6.208  -9.657  -3.576
  161   1HZ   LYS  24          1HZ       LYS  24  -7.698  -8.486  -4.900
  162   2HZ   LYS  24          2HZ       LYS  24  -6.536  -7.834  -5.845
  163   3HZ   LYS  24          3HZ       LYS  24  -6.885  -9.425  -5.960
  164    H    GLU  25           H        GLU  25  -5.906  -3.660  -7.090
  165    HA   GLU  25           HA       GLU  25  -4.584  -4.696  -9.177
  166   2HB   GLU  25          2HB       GLU  25  -5.556  -2.265 -10.188
  167   2HG   GLU  25          2HG       GLU  25  -7.766  -3.742 -10.330
  168    H    GLU  26           H        GLU  26  -4.225  -1.254  -8.034
  169    HA   GLU  26           HA       GLU  26  -2.139  -0.679  -9.748
  170   2HB   GLU  26          2HB       GLU  26  -2.832   0.535  -7.036
  171   2HG   GLU  26          2HG       GLU  26  -1.165   1.629  -9.352
  172    H    VAL  27           H        VAL  27  -2.245  -2.301  -6.587
  173    HA   VAL  27           HA       VAL  27   0.526  -2.041  -6.044
  174    HB   VAL  27           HB       VAL  27  -1.697  -3.794  -5.010
  175   1HG1  VAL  27          1HG1      VAL  27   0.923  -4.597  -4.959
  176   2HG1  VAL  27          2HG1      VAL  27   0.788  -3.708  -3.423
  177   3HG1  VAL  27          3HG1      VAL  27  -0.312  -5.065  -3.766
  178   1HG2  VAL  27          1HG2      VAL  27  -0.179  -1.877  -3.305
  179   2HG2  VAL  27          2HG2      VAL  27  -1.268  -1.189  -4.533
  180   3HG2  VAL  27          3HG2      VAL  27  -1.908  -2.301  -3.299
  181    H    THR  28           H        THR  28  -1.369  -5.053  -6.783
  182    HA   THR  28           HA       THR  28   0.678  -6.697  -7.387
  183    HB   THR  28           HB       THR  28  -2.069  -6.401  -8.709
  184    HG1  THR  28           HG1      THR  28  -2.600  -7.698  -6.926
  185   1HG2  THR  28          1HG2      THR  28   0.127  -8.315  -9.205
  186   2HG2  THR  28          2HG2      THR  28  -1.339  -9.116  -8.590
  187   3HG2  THR  28          3HG2      THR  28  -1.418  -8.129 -10.070
  188    H    SER  29           H        SER  29  -0.522  -4.008  -9.389
  189    HA   SER  29           HA       SER  29   0.815  -4.818 -11.703
  190   2HB   SER  29          2HB       SER  29   0.002  -2.010 -10.825
  191    HG   SER  29           HG       SER  29   1.241  -1.809 -12.688
  192    H    PHE  30           H        PHE  30   1.585  -2.226  -9.256
  193    HA   PHE  30           HA       PHE  30   4.177  -1.813 -10.317
  194   2HB   PHE  30          2HB       PHE  30   3.579  -1.151  -7.454
  195    HD1  PHE  30           HD1      PHE  30   5.850  -0.254  -7.536
  196    HD2  PHE  30           HD2      PHE  30   2.840   1.180 -10.161
  197    HE1  PHE  30           HE1      PHE  30   7.272   1.743  -8.075
  198    HE2  PHE  30           HE2      PHE  30   4.263   3.177 -10.701
  199    HZ   PHE  30           HZ       PHE  30   6.461   3.434  -9.651
  200    H    PHE  31           H        PHE  31   2.774  -3.901  -7.787
  201    HA   PHE  31           HA       PHE  31   5.338  -4.536  -6.674
  202   2HB   PHE  31          2HB       PHE  31   3.671  -6.393  -5.658
  203    HD1  PHE  31           HD1      PHE  31   4.453  -5.832  -3.534
  204    HD2  PHE  31           HD2      PHE  31   2.353  -2.916  -5.793
  205    HE1  PHE  31           HE1      PHE  31   4.419  -4.310  -1.539
  206    HE2  PHE  31           HE2      PHE  31   2.320  -1.395  -3.797
  207    HZ   PHE  31           HZ       PHE  31   3.352  -2.110  -1.694
  208    H    LYS  32           H        LYS  32   3.433  -5.576  -9.391
  209    HA   LYS  32           HA       LYS  32   3.781  -8.217  -9.621
  210   2HB   LYS  32          2HB       LYS  32   4.544  -6.732 -12.060
  211   2HG   LYS  32          2HG       LYS  32   3.630  -9.121 -11.897
  212   2HD   LYS  32          2HD       LYS  32   0.995  -7.661 -11.410
  213   2HE   LYS  32          2HE       LYS  32   0.503 -10.237 -10.805
  214   1HZ   LYS  32          1HZ       LYS  32  -0.005  -8.617 -12.925
  215   2HZ   LYS  32          2HZ       LYS  32   0.545  -9.991 -13.613
  216   3HZ   LYS  32          3HZ       LYS  32  -0.736 -10.041 -12.601
  217    H    LYS  33           H        LYS  33   6.318  -5.745  -9.613
  218    HA   LYS  33           HA       LYS  33   8.316  -7.561 -10.589
  219   2HB   LYS  33          2HB       LYS  33   9.817  -5.586  -9.814
  220   2HG   LYS  33          2HG       LYS  33   7.937  -5.865 -12.090
  221   2HD   LYS  33          2HD       LYS  33   7.727  -3.393 -11.111
  222   2HE   LYS  33          2HE       LYS  33  10.430  -3.431 -12.523
  223   1HZ   LYS  33          1HZ       LYS  33  10.082  -0.939 -12.082
  224   2HZ   LYS  33          2HZ       LYS  33   9.468  -1.600 -13.443
  225   3HZ   LYS  33          3HZ       LYS  33   8.490  -1.292 -12.172
  226    H    HIS  34           H        HIS  34   7.457  -6.022  -7.420
  227    HA   HIS  34           HA       HIS  34   9.455  -7.416  -6.017
  228   2HB   HIS  34          2HB       HIS  34   8.345  -6.579  -4.025
  229    HD1  HIS  34           HD1      HIS  34   7.786  -3.806  -3.596
  230    HD2  HIS  34           HD2      HIS  34   9.668  -5.000  -7.150
  231    HE1  HIS  34           HE1      HIS  34   8.934  -1.728  -4.530
  232    H    GLY  35           H        GLY  35   7.065  -8.047  -3.941
  233   1HA   GLY  35          1HA       GLY  35   6.538 -10.738  -5.057
  234   2HA   GLY  35          2HA       GLY  35   6.911 -10.432  -3.372
  235    H    ILE  36           H        ILE  36   4.719  -8.795  -5.775
  236    HA   ILE  36           HA       ILE  36   2.802  -7.849  -4.280
  237    HB   ILE  36           HB       ILE  36   2.417  -7.630  -6.511
  238   2HG1  ILE  36          2HG1      ILE  36   0.493  -9.863  -5.797
  239   1HG2  ILE  36          1HG2      ILE  36   2.103 -10.027  -7.816
  240   2HG2  ILE  36          2HG2      ILE  36   3.577  -9.030  -7.809
  241   3HG2  ILE  36          3HG2      ILE  36   3.412 -10.383  -6.665
  242   1HD1  ILE  36          1HD1      ILE  36   0.652  -7.916  -4.140
  243   2HD1  ILE  36          2HD1      ILE  36   0.146  -6.853  -5.474
  244   3HD1  ILE  36          3HD1      ILE  36  -0.940  -8.142  -4.903
  245    H    GLU  37           H        GLU  37   3.057 -11.382  -5.047
  246    HA   GLU  37           HA       GLU  37   0.922 -12.407  -3.968
  247   2HB   GLU  37          2HB       GLU  37   2.575 -14.197  -2.901
  248   2HG   GLU  37          2HG       GLU  37   2.726 -13.570  -5.884
  249    H    LYS  38           H        LYS  38   3.823 -11.959  -1.813
  250    HA   LYS  38           HA       LYS  38   2.528 -12.326   0.559
  251   2HB   LYS  38          2HB       LYS  38   4.803 -10.373   0.137
  252   2HG   LYS  38          2HG       LYS  38   3.572 -10.900   2.451
  253   2HD   LYS  38          2HD       LYS  38   4.219 -13.481   1.800
  254   2HE   LYS  38          2HE       LYS  38   6.730 -12.503   2.210
  255   1HZ   LYS  38          1HZ       LYS  38   7.377 -12.958   4.400
  256   2HZ   LYS  38          2HZ       LYS  38   6.069 -11.991   4.532
  257   3HZ   LYS  38          3HZ       LYS  38   5.931 -13.593   4.813
  258    H    VAL  39           H        VAL  39   3.365  -9.058  -0.803
  259    HA   VAL  39           HA       VAL  39   1.951  -7.534   0.911
  260    HB   VAL  39           HB       VAL  39   2.357  -7.243  -2.067
  261   1HG1  VAL  39          1HG1      VAL  39   1.602  -5.019  -0.152
  262   2HG1  VAL  39          2HG1      VAL  39   1.736  -4.946  -1.925
  263   3HG1  VAL  39          3HG1      VAL  39   0.419  -5.876  -1.169
  264   1HG2  VAL  39          1HG2      VAL  39   3.801  -5.546  -0.105
  265   2HG2  VAL  39          2HG2      VAL  39   4.234  -7.272  -0.115
  266   3HG2  VAL  39          3HG2      VAL  39   4.373  -6.311  -1.607
  267    H    ALA  40           H        ALA  40   0.702  -9.636  -1.673
  268    HA   ALA  40           HA       ALA  40  -1.869  -8.563  -1.834
  269   1HB   ALA  40          1HB       ALA  40  -1.611 -11.493  -2.141
  270   2HB   ALA  40          2HB       ALA  40  -2.167 -10.265  -3.304
  271   3HB   ALA  40          3HB       ALA  40  -0.425 -10.552  -3.076
  272    H    GLU  41           H        GLU  41  -0.549 -11.300   0.157
  273    HA   GLU  41           HA       GLU  41  -2.924 -11.852   1.431
  274   2HB   GLU  41          2HB       GLU  41  -0.090 -12.178   2.513
  275   2HG   GLU  41          2HG       GLU  41  -2.126 -14.234   3.100
  276    H    GLN  42           H        GLN  42  -0.219  -9.626   2.336
  277    HA   GLN  42           HA       GLN  42  -1.352  -8.897   4.779
  278   2HB   GLN  42          2HB       GLN  42   0.288  -6.781   3.637
  279   2HG   GLN  42          2HG       GLN  42   0.672  -8.905   5.793
  280   1HE2  GLN  42          1HE2      GLN  42   1.860  -6.384   7.115
  281   2HE2  GLN  42          2HE2      GLN  42   3.527  -6.391   6.643
  282    H    VAL  43           H        VAL  43  -1.611  -7.607   1.436
  283    HA   VAL  43           HA       VAL  43  -3.005  -5.263   2.175
  284    HB   VAL  43           HB       VAL  43  -2.508  -6.794  -0.356
  285   1HG1  VAL  43          1HG1      VAL  43  -3.650  -4.598  -1.377
  286   2HG1  VAL  43          2HG1      VAL  43  -4.569  -6.085  -1.041
  287   3HG1  VAL  43          3HG1      VAL  43  -4.613  -4.731   0.114
  288   1HG2  VAL  43          1HG2      VAL  43  -1.853  -3.940   0.446
  289   2HG2  VAL  43          2HG2      VAL  43  -0.750  -5.326   0.628
  290   3HG2  VAL  43          3HG2      VAL  43  -1.274  -4.812  -0.994
  291    H    MET  44           H        MET  44  -3.949  -8.616   1.303
  292    HA   MET  44           HA       MET  44  -6.647  -8.121   0.994
  293   2HB   MET  44          2HB       MET  44  -6.179 -10.724   2.213
  294   2HG   MET  44          2HG       MET  44  -6.152 -11.056  -0.574
  295   1HE   MET  44          1HE       MET  44  -8.700 -10.707  -1.543
  296   2HE   MET  44          2HE       MET  44  -9.785 -12.001  -0.979
  297   3HE   MET  44          3HE       MET  44 -10.002 -10.337  -0.387
  298    H    LYS  45           H        LYS  45  -4.704  -8.975   3.918
  299    HA   LYS  45           HA       LYS  45  -7.049  -8.979   5.577
  300   2HB   LYS  45          2HB       LYS  45  -4.915  -8.993   7.287
  301   2HG   LYS  45          2HG       LYS  45  -6.320 -11.194   5.731
  302   2HD   LYS  45          2HD       LYS  45  -4.595 -11.755   8.155
  303   2HE   LYS  45          2HE       LYS  45  -5.426 -13.457   5.757
  304   1HZ   LYS  45          1HZ       LYS  45  -3.440 -13.902   7.419
  305   2HZ   LYS  45          2HZ       LYS  45  -4.648 -14.570   8.290
  306   3HZ   LYS  45          3HZ       LYS  45  -4.341 -15.104   6.779
  307    H    ALA  46           H        ALA  46  -4.809  -6.650   4.297
  308    HA   ALA  46           HA       ALA  46  -4.872  -4.797   6.412
  309   1HB   ALA  46          1HB       ALA  46  -4.147  -3.212   4.583
  310   2HB   ALA  46          2HB       ALA  46  -3.165  -4.691   4.707
  311   3HB   ALA  46          3HB       ALA  46  -4.385  -4.538   3.420
  312    H    ASP  47           H        ASP  47  -6.686  -4.888   3.257
  313    HA   ASP  47           HA       ASP  47  -8.359  -2.791   4.016
  314   2HB   ASP  47          2HB       ASP  47  -8.258  -3.135   1.698
  315    H    ALA  48           H        ALA  48  -8.167  -6.110   4.935
  316    HA   ALA  48           HA       ALA  48  -9.439  -7.424   6.180
  317   1HB   ALA  48          1HB       ALA  48  -9.750  -5.386   7.561
  318   2HB   ALA  48          2HB       ALA  48 -11.169  -4.948   6.579
  319   3HB   ALA  48          3HB       ALA  48 -11.197  -6.422   7.577
  320    H    ASN  49           H        ASN  49 -12.050  -5.280   4.863
  321    HA   ASN  49           HA       ASN  49 -13.856  -7.109   4.309
  322   2HB   ASN  49          2HB       ASN  49 -13.147  -4.969   2.245
  323   1HD2  ASN  49          1HD2      ASN  49 -15.088  -3.951   1.418
  324   2HD2  ASN  49          2HD2      ASN  49 -16.539  -4.876   1.220
  325    H    GLY  50           H        GLY  50 -11.073  -6.171   2.168
  326   1HA   GLY  50          1HA       GLY  50  -9.854  -7.817   0.976
  327   2HA   GLY  50          2HA       GLY  50 -11.308  -8.783   0.824
  328    H    ASP  51           H        ASP  51 -10.501  -5.294   0.164
  329    HA   ASP  51           HA       ASP  51 -10.353  -5.356  -2.487
  330   2HB   ASP  51          2HB       ASP  51 -12.457  -6.291  -2.955
  331    H    GLY  52           H        GLY  52  -9.133  -3.707  -0.869
  332   1HA   GLY  52          1HA       GLY  52 -10.543  -1.125  -1.090
  333   2HA   GLY  52          2HA       GLY  52  -9.793  -1.605   0.419
  334    H    TYR  53           H        TYR  53  -8.198   0.034   0.455
  335    HA   TYR  53           HA       TYR  53  -5.865  -0.546  -1.070
  336   2HB   TYR  53          2HB       TYR  53  -6.916   0.758  -2.812
  337    HD1  TYR  53           HD1      TYR  53  -7.377   2.861   0.274
  338    HD2  TYR  53           HD2      TYR  53  -8.981   1.559  -3.472
  339    HE1  TYR  53           HE1      TYR  53  -9.460   4.264   0.671
  340    HE2  TYR  53           HE2      TYR  53 -11.058   2.966  -3.064
  341    HH   TYR  53           HH       TYR  53 -12.264   3.899  -1.222
  342    H    ILE  54           H        ILE  54  -4.087   1.130  -0.549
  343    HA   ILE  54           HA       ILE  54  -4.446   1.875   2.255
  344    HB   ILE  54           HB       ILE  54  -2.271   0.803   0.638
  345   2HG1  ILE  54          2HG1      ILE  54  -3.108   0.842   3.525
  346   1HG2  ILE  54          1HG2      ILE  54  -0.510   2.011   2.026
  347   2HG2  ILE  54          2HG2      ILE  54  -1.254   2.925   0.690
  348   3HG2  ILE  54          3HG2      ILE  54  -1.766   3.224   2.369
  349   1HD1  ILE  54          1HD1      ILE  54  -2.356  -1.458   1.677
  350   2HD1  ILE  54          2HD1      ILE  54  -3.261  -1.535   3.208
  351   3HD1  ILE  54          3HD1      ILE  54  -4.008  -0.804   1.767
  352    H    THR  55           H        THR  55  -5.294   3.899   2.422
  353    HA   THR  55           HA       THR  55  -4.317   5.932   0.553
  354    HB   THR  55           HB       THR  55  -6.331   7.152   1.250
  355    HG1  THR  55           HG1      THR  55  -7.599   6.008   3.002
  356   1HG2  THR  55          1HG2      THR  55  -6.483   4.622   0.032
  357   2HG2  THR  55          2HG2      THR  55  -7.626   4.497   1.391
  358   3HG2  THR  55          3HG2      THR  55  -7.826   5.782   0.174
  359    H    LEU  56           H        LEU  56  -3.178   7.731   1.157
  360    HA   LEU  56           HA       LEU  56  -1.383   7.650   3.112
  361   2HB   LEU  56          2HB       LEU  56  -2.495  10.336   2.873
  362    HG   LEU  56           HG       LEU  56   0.054   9.183   1.711
  363   1HD1  LEU  56          1HD1      LEU  56   0.503  11.207   0.912
  364   2HD1  LEU  56          2HD1      LEU  56  -1.183  11.648   1.277
  365   3HD1  LEU  56          3HD1      LEU  56   0.101  11.984   2.462
  366   1HD2  LEU  56          1HD2      LEU  56   1.078  10.362   3.762
  367   2HD2  LEU  56          2HD2      LEU  56  -0.558  10.260   4.456
  368   3HD2  LEU  56          3HD2      LEU  56   0.306   8.774   3.991
  369    H    GLU  57           H        GLU  57  -4.815   8.660   3.486
  370    HA   GLU  57           HA       GLU  57  -4.501   9.456   6.150
  371   2HB   GLU  57          2HB       GLU  57  -6.378  10.227   4.766
  372   2HG   GLU  57          2HG       GLU  57  -7.513   7.406   4.974
  373    H    GLU  58           H        GLU  58  -5.840   6.435   4.633
  374    HA   GLU  58           HA       GLU  58  -6.316   5.166   7.048
  375   2HB   GLU  58          2HB       GLU  58  -5.691   3.906   4.341
  376   2HG   GLU  58          2HG       GLU  58  -6.158   2.697   6.851
  377    H    PHE  59           H        PHE  59  -3.430   5.310   4.911
  378    HA   PHE  59           HA       PHE  59  -1.978   3.302   6.208
  379   2HB   PHE  59          2HB       PHE  59  -0.578   5.718   5.082
  380    HD1  PHE  59           HD1      PHE  59   1.455   5.176   4.069
  381    HD2  PHE  59           HD2      PHE  59  -1.412   2.115   4.708
  382    HE1  PHE  59           HE1      PHE  59   3.144   3.452   3.380
  383    HE2  PHE  59           HE2      PHE  59   0.276   0.390   4.020
  384    HZ   PHE  59           HZ       PHE  59   2.533   1.079   3.363
  385    H    LEU  60           H        LEU  60  -2.412   6.805   6.836
  386    HA   LEU  60           HA       LEU  60  -0.300   6.926   8.739
  387   2HB   LEU  60          2HB       LEU  60  -2.620   8.826   8.442
  388    HG   LEU  60           HG       LEU  60  -0.151   8.938   9.928
  389   1HD1  LEU  60          1HD1      LEU  60   1.100  10.547   8.982
  390   2HD1  LEU  60          2HD1      LEU  60   0.311  10.016   7.478
  391   3HD1  LEU  60          3HD1      LEU  60  -0.312  11.432   8.356
  392   1HD2  LEU  60          1HD2      LEU  60  -2.537   9.690  10.511
  393   2HD2  LEU  60          2HD2      LEU  60  -1.183  10.724  11.027
  394   3HD2  LEU  60          3HD2      LEU  60  -2.149  11.171   9.601
  395    H    GLU  61           H        GLU  61  -3.925   6.979   9.022
  396    HA   GLU  61           HA       GLU  61  -3.997   6.887  11.746
  397   2HB   GLU  61          2HB       GLU  61  -6.079   5.324  10.266
  398   2HG   GLU  61          2HG       GLU  61  -6.643   7.844  11.777
  399    H    PHE  62           H        PHE  62  -3.355   4.310   9.387
  400    HA   PHE  62           HA       PHE  62  -3.942   2.042  10.680
  401   2HB   PHE  62          2HB       PHE  62  -1.211   2.703   9.430
  402    HD1  PHE  62           HD1      PHE  62  -0.520   0.681  10.870
  403    HD2  PHE  62           HD2      PHE  62  -3.321   0.429   7.691
  404    HE1  PHE  62           HE1      PHE  62  -0.137  -1.796  10.728
  405    HE2  PHE  62           HE2      PHE  62  -2.937  -2.046   7.549
  406    HZ   PHE  62           HZ       PHE  62  -1.349  -3.130   9.068
  407    H    SER  63           H        SER  63  -1.110   4.185  11.352
  408    HA   SER  63           HA       SER  63  -0.165   2.407  13.362
  409   2HB   SER  63          2HB       SER  63   0.698   5.296  12.994
  410    HG   SER  63           HG       SER  63   2.207   2.898  13.593
  411    H    LEU  64           H        LEU  64  -1.925   5.551  13.179
  412    HA   LEU  64           HA       LEU  64  -2.012   5.794  16.039
  413   2HB   LEU  64          2HB       LEU  64  -3.563   7.373  13.995
  414    HG   LEU  64           HG       LEU  64  -3.111   7.668  16.851
  415   1HD1  LEU  64          1HD1      LEU  64  -2.015   9.799  15.025
  416   2HD1  LEU  64          2HD1      LEU  64  -2.682  10.201  16.626
  417   3HD1  LEU  64          3HD1      LEU  64  -1.299   9.088  16.492
  418   1HD2  LEU  64          1HD2      LEU  64  -5.273   7.825  15.550
  419   2HD2  LEU  64          2HD2      LEU  64  -4.974   9.126  16.727
  420   3HD2  LEU  64          3HD2      LEU  64  -4.724   9.423  14.989