*HEADER    ELECTRON TRANSPORT                      03-OCT-01   1K3G              
*TITLE     NMR SOLUTION STRUCTURE OF OXIDIZED CYTOCHROME C-553 FROM              
*TITLE    2 BACILLUS PASTEURII                                                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYTOCHROME C-553;                                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 22-92;                                            
*COMPND   5 SYNONYM: C553;                                                       
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BACILLUS PASTEURII;                             
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: DH5ALPHA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PEC86                                     
*KEYWDS    C-553, HEME, CYTOCHROME, BACILLUS PASTEURII, ELECTRON                 
*KEYWDS   2 TRANSFER                                                             
*EXPDTA    NMR, 30 STRUCTURES                                                    
*AUTHOR    L.BANCI, I.BERTINI, S.CIURLI, A.DIKIY, J.DITTMER, A.ROSATO,           
*AUTHOR   2 G.SCIARA, A.THOMPSETT                                                
*REVDAT   1   31-OCT-01 1K3G    0                                                
Upper distance limits used in solution structure calculations.



 22 VAL  

HN     22 VAL  HB      4.14       

HN     23 ASP- HN      5.50       

HA     23 ASP- HN      3.39       

HB     23 ASP- HN      5.22       

HB     80 GLU- HA      5.50       

HB     83 ALA  HN      5.50       

HB     83 ALA  QB      4.64       

QG1    23 ASP- HN      6.43       

QG1    79 ALA  QB      7.56       

QG1    80 GLU- HN      6.50       

QG1    80 GLU- HA      4.14       

QG1    80 GLU- HB2     5.01       

QG1    80 GLU- HG2     9.46       

QG1    80 GLU- HG3     9.46       

QG1    83 ALA  QB      6.53       

QG2    23 ASP- HN      6.43       

QG2    79 ALA  QB      7.56       

QG2    80 GLU- HN      6.50       

QG2    80 GLU- HA      4.14       

QG2    80 GLU- HB2     5.01       

QG2    80 GLU- HG2     9.46       

QG2    80 GLU- HG3     9.46       

QG2    83 ALA  QB      6.53       

QQG    23 ASP- HN      5.49       

QQG    23 ASP- HA      7.90       

QQG    23 ASP- QB      8.97       

QQG    24 ALA  HN      7.59       

QQG    24 ALA  HA      6.44       

QQG    26 ALA  QB      8.62       

QQG    27 VAL  HB      8.09       

QQG    79 ALA  QB      6.82       

QQG    80 GLU- HN      5.98       

QQG    80 GLU- HB3     8.09       

QQG    80 GLU- QG      7.07       

QQG    83 ALA  HN      8.09       

QQG    83 ALA  QB      5.89       

 23 ASP- 

HN     26 ALA  QB      6.53       

HN     27 VAL  QG2     6.53       

HA     24 ALA  HN      3.08       

HA     24 ALA  HA      5.47       

HA     24 ALA  QB      5.85       

HA     25 GLU- HN      4.88       

HA     26 ALA  HN      5.50       

HB2    26 ALA  HN      5.50       

HB2    26 ALA  QB      5.10       

HB3    26 ALA  HN      5.50       

HB3    26 ALA  QB      5.10       

QB     26 ALA  HN      5.02       

QB     26 ALA  QB      4.53       

 24 ALA  

HN     25 GLU- HN      3.89       

HN     25 GLU- QG      6.38       

HN     26 ALA  HN      5.50       

HN     83 ALA  QB      5.54       

HN     87 TRP  QB      6.38       

HA     26 ALA  HN      5.10       

HA     27 VAL  HN      5.13       

HA     27 VAL  HB      3.83       

HA     27 VAL  QG2     4.14       

HA     83 ALA  QB      5.23       

HA     84 VAL  QG2     4.51       

QB     25 GLU- HN      4.39       

QB     25 GLU- HA      6.03       

QB     28 VAL  QG2     7.12       

QB     83 ALA  QB      5.60       

QB     84 VAL  HN      6.19       

QB     84 VAL  HA      3.71       

QB     84 VAL  QG2     6.72       

QB     87 TRP  HN      5.35       

QB     87 TRP  HA      5.60       

QB     87 TRP  HB2     4.17       

QB     87 TRP  HB3     4.17       

QB     87 TRP  HD1     4.82       

QB     87 TRP  HE3     5.50       

QB     87 TRP  HE1     6.28       

QB     88 LEU  HN      5.69       

 25 GLU- 

HN     25 GLU- HG2     3.73       

HN     25 GLU- HG3     3.73       

HN     26 ALA  HN      3.61       

HN     87 TRP  HE1     5.50       

HA     25 GLU- HG2     3.89       

HA     25 GLU- HG3     3.89       

HA     25 GLU- QG      3.71       

HA     26 ALA  HA      5.50       

HA     28 VAL  HN      4.20       

HA     28 VAL  HB      3.08       

HA     28 VAL  QG1     5.29       

HA     28 VAL  QG2     4.79       

HA     29 GLN  HN      5.19       

HA     87 TRP  HE3     5.50       

HA     87 TRP  HE1     5.50       

HA     87 TRP  HZ3     5.50       

HA     87 TRP  HZ2     5.50       

HA     87 TRP  HH2     5.50       

HB2    26 ALA  HN      5.50       

HB2    29 GLN  HG3     5.50       

HB2    87 TRP  HE1     5.50       

HB2    87 TRP  HZ2     5.50       

HB2    87 TRP  HH2     5.50       

HB3    26 ALA  HN      5.50       

HB3    29 GLN  HG3     5.50       

HB3    87 TRP  HE1     5.50       

HB3    87 TRP  HZ2     5.50       

HB3    87 TRP  HH2     5.50       

QB     29 GLN  HN      6.38       

QB     87 TRP  HZ2     5.14       

QB     87 TRP  HH2     5.15       

HG2    26 ALA  HN      4.82       

HG2    87 TRP  HE1     5.50       

HG2    87 TRP  HZ2     5.50       

HG3    26 ALA  HN      4.82       

HG3    87 TRP  HE1     5.50       

HG3    87 TRP  HZ2     5.50       

QG     26 ALA  HN      4.42       

QG     87 TRP  HE1     5.11       

QG     87 TRP  HZ2     5.10       

QG     87 TRP  HH2     6.38       

 26 ALA  

HN     26 ALA  QB      3.61       

HN     27 VAL  HN      4.54       

HN     27 VAL  HA      5.50       

HN     27 VAL  HB      5.50       

HN     27 VAL  QG2     5.66       

HN     28 VAL  HN      5.34       

HN     29 GLN  HN      5.50       

HA     28 VAL  HN      5.50       

HA     29 GLN  HN      4.14       

HA     29 GLN  HB2     3.67       

HA     29 GLN  HB3     4.07       

HA     29 GLN  HG2     5.47       

HA     29 GLN  HG3     5.50       

HA     30 GLN  HN      5.34       

QB     27 VAL  HA      5.94       

QB     29 GLN  HB2     6.28       

QB     30 GLN  HN      6.28       

 27 VAL  

HN     27 VAL  HB      4.04       

HN     27 VAL  QG2     4.61       

HN     28 VAL  HN      4.48       

HN     84 VAL  QG2     6.53       

HA     29 GLN  HN      5.50       

HA     30 GLN  HN      4.29       

HA     30 GLN  QB      4.46       

HA     30 GLN  QG      6.38       

HA     31 LYS+ QB      5.92       

HA     31 LYS+ QE      6.38       

HA     84 VAL  QG2     6.53       

HB     28 VAL  HN      3.55       

HB     28 VAL  QG2     5.10       

HB     84 VAL  QG1     6.53       

HB     84 VAL  QG2     3.89       

QG1    28 VAL  HN      5.29       

QG1    28 VAL  HA      4.95       

QG1    30 GLN  HN      6.53       

QG1    30 GLN  QB      6.91       

QG1    31 LYS+ HN      6.22       

QG1    31 LYS+ HB2     5.97       

QG1    31 LYS+ HB3     5.97       

QG1    31 LYS+ QB      5.11       

QG1    31 LYS+ HG2     5.44       

QG1    31 LYS+ HG3     5.44       

QG1    31 LYS+ QG      5.08       

QG1    31 LYS+ QD      5.30       

QG1    31 LYS+ QE      5.92       

QG1    36 HEM  QT2     5.41       

QG1    80 GLU- HA      6.53       

QG1    80 GLU- HB2     5.54       

QG1    80 GLU- HB3     5.85       

QG1    80 GLU- HG2     4.95       

QG1    80 GLU- HG3     4.95       

QG1    80 GLU- QG      4.58       

QG1    84 VAL  QG1     7.56       

QG1    84 VAL  QG2     5.63       

QG2    28 VAL  HN      5.23       

QG2    30 GLN  QB      7.31       

QG2    31 LYS+ QE      7.04       

QG2    80 GLU- HA      4.82       

QG2    80 GLU- HB2     4.73       

QG2    80 GLU- HB3     6.00       

QG2    80 GLU- HG2     4.73       

QG2    80 GLU- HG3     4.73       

QG2    80 GLU- QG      4.51       

QG2    84 VAL  QG1     7.56       

QG2    84 VAL  QG2     6.10       

 28 VAL  

HN     28 VAL  HB      3.17       

HN     28 VAL  QG1     4.79 

HN     28 VAL  QG2     3.86 

HN     29 GLN  HN      4.69 

HN     84 VAL  QG1     6.53 

HN     84 VAL  QG2     5.10 

HN     87 TRP  HZ3     5.50 

HA     30 GLN  HN      5.50 

HA     31 LYS+ HN      4.48 

HA     31 LYS+ QB      5.60 

HA     32 CYSS HN      3.98 

HA     32 CYSS HB2     5.50 

HA     32 CYSS HB3     5.50 

HA     32 CYSS QB      5.08 

HA     36 HEM  QT2     5.50 

HA     84 VAL  QG1     6.00 

HA     84 VAL  QG2     5.19 

HB     29 GLN  HN      3.48 

HB     29 GLN  HA      5.22 

HB     29 GLN  HG2     5.50 

HB     40 LEU  QQD     7.79 

HB     84 VAL  QG1     6.25 

HB     84 VAL  QG2     6.53 

HB     87 TRP  HZ3     5.50 

HB     87 TRP  HH2     5.44 

QG1    29 GLN  HN      5.07 

QG1    29 GLN  HA      5.72 

QG1    29 GLN  HG2     6.03 

QG1    29 GLN  HG3     6.53 

QG1    29 GLN  HE21    6.16 

QG1    29 GLN  HE22    6.53 

QG1    30 GLN  HN      6.53 

QG1    32 CYSS HN      6.03 

QG1    32 CYSS HB2     4.51 

QG1    32 CYSS HB3     4.51 

QG1    33 ILE  HN      6.16 

QG1    36 HEM  QM1     5.60   

QG1    40 LEU  HG      5.41 

QG1    40 LEU  QD1     6.32 

QG1    40 LEU  QD2     6.32 

QG1    40 LEU  QQD     5.96 

QG1    48 ILE  QD1     7.56 

QG1    84 VAL  QG1     7.56 

QG1    84 VAL  QG2     7.52 

QG1    87 TRP  HE3     6.50 

QG1    87 TRP  HZ3     4.70 

QG1    87 TRP  HZ2     6.53 

QG1    87 TRP  HH2     5.04 

QG1    88 LEU  QD1     7.56 

QG1    88 LEU  QD2     7.56 

QG2    29 GLN  HN      5.32 

QG2    29 GLN  HG2     6.53 

QG2    32 CYSS HB2     6.25 

QG2    32 CYSS HB3     6.25 

QG2    32 CYSS QB      6.05 

QG2    36 HEM  QM1     5.04   

QG2    40 LEU  QQD     8.35 

QG2    84 VAL  HA      6.16 

QG2    84 VAL  QG1     5.57 

QG2    87 TRP  HE3     4.85 

QG2    87 TRP  HZ3     4.33 

QG2    87 TRP  HZ2     6.53 

QG2    87 TRP  HH2     5.81 

QG2    88 LEU  QD1     7.56 

QG2    88 LEU  QD2     7.56 

 29 GLN  

HN     29 GLN  HB2     3.30 

HN     29 GLN  HB3     3.86 

HN     29 GLN  HG2     4.23 

HN     29 GLN  HG3     4.91 

HN     30 GLN  HN      3.76 

HN     31 LYS+ HN      5.50 

HN     32 CYSS HN      5.16 

HA     29 GLN  HE21    5.50 

HA     29 GLN  HE22    5.50 

HA     32 CYSS HN      5.34 

HA     33 ILE  HN      4.82 

HA     33 ILE  QG2     4.02 

HA     33 ILE  HG12    5.04 

HA     33 ILE  HG13    5.04 

HA     33 ILE  QG1     4.50 

HA     33 ILE  QD1     4.23 

HB2    30 GLN  HN      4.20 

HB2    30 GLN  HA      5.50 

HB3    30 GLN  HN      4.29 

HB3    30 GLN  HA      4.76 

HB3    33 ILE  QG2     6.53 

HB3    33 ILE  QD1     5.85 

HG2    30 GLN  HN      5.50 

HG2    33 ILE  QG2     5.60 

HG3    30 GLN  HN      5.50 

HG3    33 ILE  QG2     6.00 

HG3    33 ILE  QD1     6.43 

HE21   33 ILE  QG2     5.23 

HE22   33 ILE  QG2     5.69 

HE22   33 ILE  QD1     6.22 

 30 GLN  

HN     30 GLN  HB2     4.04 

HN     30 GLN  HB3     4.04 

HN     30 GLN  QB      3.54 

HN     30 GLN  QG      5.51 

HN     31 LYS+ HN      3.42 

HN     31 LYS+ QB      5.60 

HN     32 CYSS HN      4.85 

HA     30 GLN  QE2     6.37 

HB2    30 GLN  HE21    7.25 

HB2    30 GLN  HE22    7.25 

HB3    30 GLN  HE21    7.25 

HB3    30 GLN  HE22    7.25 

QB     31 LYS+ HN      4.49 

QB     31 LYS+ QB      7.25 

QB     31 LYS+ QG      6.07 

QB     31 LYS+ QE      7.13 

QG     31 LYS+ HN      6.38 

QG     31 LYS+ QB      7.22 

QE2    31 LYS+ QE      7.24 

 31 LYS+ 

HN     31 LYS+ QB      3.70 

HN     31 LYS+ HG2     5.50 

HN     31 LYS+ HG3     5.50 

HN     31 LYS+ QG      5.29 

HN     31 LYS+ QD      6.38 

HN     31 LYS+ QE      6.38 

HN     32 CYSS HN      3.42 

HN     32 CYSS QB      6.38 

HN     33 ILE  HN      5.50 

HN     33 ILE  QG2     6.53 

HN     36 HEM  QT2     6.50 

HA     31 LYS+ QG      3.91 

HA     31 LYS+ QD      5.30 

HA     31 LYS+ QE      6.38 

HA     36 HEM  QT2     5.50 

HA     75 ILE  QG2     5.38 

HB2    32 CYSS HN      5.00 

HB2    36 HEM  QT2     4.76 

HB2    75 ILE  QG2     4.30 

HB3    32 CYSS HN      5.00 

HB3    36 HEM  QT2     4.76 

HB3    75 ILE  QG2     4.30 

QB     31 LYS+ QE      5.45 

QB     32 CYSS HN      4.59 

QB     36 HEM  QT2     4.43 

QB     75 ILE  QG2     4.08 

QB     76 ALA  QB      5.67 

HG2    76 ALA  QB      6.53 

HG3    76 ALA  QB      6.53 

QG     76 ALA  QB      5.82 

QD     76 ALA  QB      6.45 

QE     75 ILE  QG2     6.91 

QE     76 ALA  HA      6.38 

QE     76 ALA  QB      7.13 

 32 CYSS 

HN     32 CYSS HB2     4.14 

HN     32 CYSS HB3     4.14 

HN     33 ILE  HN      3.27 

HN     33 ILE  QG2     5.57 

HN     33 ILE  HG12    5.50 

HN     33 ILE  HG13    5.50 

HN     33 ILE  QD1     6.53 

HN     36 HEM  HT2A    5.50 

HN     36 HEM  QT2     5.50 

HA     36 HEM  HT2A    4.91 

HA     36 HEM  QT2     5.50 

HB2    33 ILE  HN      4.82 

HB2    33 ILE  HA      5.50 

HB2    36 HEM  QT2     5.50 

HB2    40 LEU  QD1     9.67 

HB2    40 LEU  QD2     9.67 

HB3    33 ILE  HN      4.82 

HB3    33 ILE  HA      5.50 

HB3    36 HEM  QT2     5.50 

HB3    40 LEU  QD1     9.67 

HB3    40 LEU  QD2     9.67 

QB     36 HEM  HD2     3.88 

QB     36 HEM  QM1     5.92   

QB     36 HEM  HT2A    6.38 

QB     36 HEM  QM3     6.38   

QB     40 LEU  QQD     8.05 

SG     36 HEM  CAB     1.90   

 33 ILE  

HN     33 ILE  QG2     4.08 

HN     33 ILE  HG12    4.20 

HN     33 ILE  HG13    4.20 

HN     33 ILE  QG1     3.82 

HN     33 ILE  QD1     5.07 

HA     35 CYSS HN      5.38 

HA     36 HEM  HN      5.16 

HA     36 HEM  HB2     3.21   

HA     36 HEM  HB3     3.86   

HA     37 GLY  HN      3.64 

HA     40 LEU  QQD     6.49 

HB     33 ILE  QD1     3.77 

HB     37 GLY  HN      4.60 

HB     38 GLY  HN      5.31 

HB     38 GLY  HA1     3.55 

HB     38 GLY  HA2     4.45 

HB     40 LEU  HN      5.50 

QG2    37 GLY  HN      6.40 

QG2    38 GLY  HN      6.28 

QG2    38 GLY  HA1     4.57 

QG2    38 GLY  HA2     5.47 

QG2    40 LEU  HN      5.44 

QG1    34 SER  HA      6.38 

QD1    38 GLY  HN      6.28 

QD1    38 GLY  HA1     4.48 

QD1    38 GLY  HA2     5.01 

 34 SER  

HA     37 GLY  HN      5.50 

HB2    35 CYSS HN      5.50 

HB3    35 CYSS HN      5.50 

 35 CYSS 

HN     36 HEM  HN      4.14 

HN     37 GLY  HN      5.19 

HB2    36 HEM  QM3     5.50   

HB2    36 HEM  HT4A    5.50   

HB2    45 ALA  QB      5.32   

HB3    36 HEM  QM3     5.50   

HB3    36 HEM  HT4A    5.50   

HB3    45 ALA  QB      5.32   

QB     36 HEM  HN      6.19 

QB     36 HEM  HD2     6.38 

QB     36 HEM  QM3     5.35   

QB     36 HEM  HT4A    5.12   

QB     36 HEM  HBM     6.38   

QB     37 GLY  HN      5.98 

QB     43 ALA  QB      7.41 

QB     44 SER  HN      6.26 

QB     45 ALA  HN      6.38 

QB     45 ALA  QB      4.70   

SG     36 HEM  CAC     1.90   

 36 HEM  

HN     37 GLY  HN      3.73 

HA     36 HEM  HB3     2.74   

HA     36 HEM  HD2     5.50 

HA     40 LEU  HA      5.50 

HA     42 GLY  HA1     3.27 

HA     42 GLY  HA2     4.35 

HA     43 ALA  HN      4.14 

HA     43 ALA  QB      6.53   

HA     45 ALA  HN      4.94 

HA     45 ALA  QB      5.26   

HB2    37 GLY  HN      4.76 

HB2    40 LEU  HA      3.86 

HB2    40 LEU  QQD     5.74 

HB2    48 ILE  QG2     6.53   

HB2    48 ILE  HG12    5.50   

HB2    48 ILE  HG13    5.50   

HB2    48 ILE  QG1     4.95   

HB2    48 ILE  QD1     5.54   

HB3    40 LEU  HA      3.11   

HB3    40 LEU  QB      6.38   

HB3    40 LEU  QQD     5.93   

HB3    48 ILE  QG2     6.53   

HB3    48 ILE  HG12    4.45   

HB3    48 ILE  HG13    4.45   

HB3    48 ILE  QG1     3.96   

HB3    48 ILE  QD1     5.32   

HD2    48 ILE  QD1     6.50 

HE1    36 HEM  QBP7    6.39 

HE1    36 HEM  HGM     5.50 

HE1    36 HEM  HAP61   5.50 

HE1    45 ALA  QB      6.50 

HE1    46 PRO  QD      6.38 

HE1    48 ILE  QG2     6.50 

HE1    48 ILE  QD1     6.50 

FE     71 MET  SD      2.50   

HAP71  36 HEM  QM8     4.20   

HAP71  36 HEM  HGM     3.27   

HAP71  36 HEM  HAP61   5.50   

HAP71  55 TYR  HE1     4.45   

HAP71  63 ILE  QG2     6.53   

HAP71  63 ILE  QD1     4.30   

HAP72  36 HEM  QBP7    2.67 

HAP72  36 HEM  QM8     2.96   

HAP72  55 TYR  QE      7.63 

HAP72  55 TYR  HE1     3.30   

HAP72  63 ILE  QD1     3.95 

HBP73  36 HEM  QM8     5.50   

HBP73  36 HEM  HGM     4.60   

HBP73  36 HEM  HAP61   5.50   

HBP73  55 TYR  QE      7.63 

HBP73  55 TYR  HE1     4.97   

HBP74  36 HEM  QM8     5.50   

HBP74  36 HEM  HGM     4.60   

HBP74  36 HEM  HAP61   5.50   

HBP74  55 TYR  QE      7.63 

HBP74  55 TYR  HE1     4.97   

QBP7   36 HEM  HGM     4.28   

QBP7   36 HEM  HAP61   5.03   

QBP7   55 TYR  QD      8.53 

QBP7   55 TYR  HE1     4.37   

QBP7   63 ILE  QD1     7.42   

QM8    36 HEM  QM1     5.50   

QM8    48 ILE  HA      5.50   

QM8    48 ILE  HB      4.20   

QM8    48 ILE  QG2     4.70   

QM8    48 ILE  QD1     5.97   

QM8    51 ALA  HA      5.50   

QM8    51 ALA  QB      4.11   

QM8    55 TYR  QB      6.38   

QM8    55 TYR  HD1     4.63   

QM8    55 TYR  HE1     4.38   

QM8    60 ILE  HA      4.07   

QM8    60 ILE  QG2     4.17   

QM8    60 ILE  QG1     6.38   

QM8    60 ILE  QD1     4.48   

QM8    63 ILE  HN      5.50   

QM8    63 ILE  HB      4.72   

QM8    63 ILE  QG2     5.13   

QM8    63 ILE  QD1     3.89   

QM8    88 LEU  QQD     6.64   

QM1    36 HEM  HT2A    6.53   

QM1    48 ILE  QD1     4.51   

QM1    60 ILE  QG2     5.97   

QM1    64 ILE  HB      5.50   

QM1    64 ILE  QG2     5.04   

QM1    64 ILE  HG12    4.04   

QM1    64 ILE  HG13    4.82   

QM1    64 ILE  QD1     3.61   

QM1    71 MET  QE      6.50 

QM1    84 VAL  HB      4.82   

QM1    84 VAL  QG1     3.83   

QM1    88 LEU  QD1     5.10   

QM1    88 LEU  QD2     5.10   

QM1    88 LEU  QQD     4.23   

HT2A   36 HEM  HAM     2.77   

HT2A   36 HEM  QM3     4.82   

QT2    64 ILE  QG2     4.36 

QT2    64 ILE  HG12    5.13 

QT2    75 ILE  HN      5.50 

QT2    75 ILE  HB      4.76 

QT2    75 ILE  QG2     3.86 

QT2    76 ALA  HN      5.50 

QT2    76 ALA  QB      4.11 

QT2    84 VAL  QG2     5.50 

QM3    75 ILE  QG2     4.26   

QM3    75 ILE  HG12    5.50   

QM3    75 ILE  HG13    5.50   

QM3    75 ILE  QD1     4.05   

HT4A   36 HEM  QM5     4.48   

QT4    75 ILE  QD1     6.12 

QM5    36 HEM  HAP61   4.82   

QM5    36 HEM  HAP62   3.08   

QM5    36 HEM  HBP63   3.73   

QM5    36 HEM  HBP64   5.19   

QM5    45 ALA  HA      3.64   

QM5    45 ALA  QB      4.17   

QM5    46 PRO  HD2     5.50   

QM5    46 PRO  HD3     5.50   

QM5    46 PRO  QD      5.18   

QM5    70 GLY  QA      5.36   

QM5    71 MET  HA      4.85   

QM5    71 MET  QB      7.38 

QM5    71 MET  QG      7.38 

QM5    72 PRO  QD      6.38   

HGM    36 HEM  HAP61   3.11   

HGM    36 HEM  HBP64   4.66   

HAP61  36 HEM  HBP64   2.99 

HAP61  46 PRO  QB      6.38   

HAP61  46 PRO  HG2     5.50 

HAP61  46 PRO  HG3     5.50 

HAP61  46 PRO  QG      4.91 

HAP61  46 PRO  QD      6.38   

HAP62  46 PRO  QG      6.38 

HBP63  68 GLN  HB2     5.50 

HBP63  68 GLN  HB3     5.50 

HBP63  68 GLN  HE21    5.50 

HBP63  70 GLY  HN      5.50 

HBP63  71 MET  HN      5.50 

HBP63  71 MET  QB      6.38   

HBP64  68 GLN  HE21    5.50 

HBP64  70 GLY  HN      4.42 

HBP64  70 GLY  HA1     5.50 

HBP64  70 GLY  HA2     5.50 

HBP64  71 MET  HN      5.13 

HBP64  71 MET  QB      6.38   

 37 GLY  

HN     38 GLY  HN      4.45 

HN     43 ALA  QB      4.57 

HA1    38 GLY  HN      3.52 

HA1    43 ALA  QB      4.88 

HA2    38 GLY  HN      3.52 

HA2    43 ALA  QB      4.88 

QA     39 ASP- HN      5.45 

QA     40 LEU  HN      5.76 

QA     41 THR  HN      5.88 

QA     42 GLY  HN      5.05 

 38 GLY  

HN     39 ASP- HN      4.01 

HN     40 LEU  HN      5.10 

HN     43 ALA  QB      6.37 

 39 ASP- 

HN     40 LEU  HN      3.45 

HN     40 LEU  HA      4.69 

HN     41 THR  HN      4.79 

HA     40 LEU  HG      5.50 

HA     40 LEU  QQD     8.10 

HA     41 THR  HN      5.50 

HB2    41 THR  HN      5.50 

HB2    41 THR  QG2     5.66 

HB3    41 THR  HN      5.50 

HB3    41 THR  QG2     5.66 

 40 LEU  

HN     40 LEU  HG      4.42 

HN     40 LEU  QD1     5.72 

HN     40 LEU  QD2     5.72 

HN     40 LEU  QQD     4.89 

HN     41 THR  HN      4.04 

HN     41 THR  QG2     6.53 

HN     42 GLY  HN      4.48 

HA     40 LEU  QD1     5.60 

HA     40 LEU  QD2     5.60 

HA     41 THR  QG2     6.47 

HA     48 ILE  HN      4.94 

HA     48 ILE  QG1     6.38 

HA     48 ILE  QD1     6.53   

HA     49 ASP- QB      6.38 

HB2    41 THR  HN      5.50 

HB2    48 ILE  HN      5.50 

HB2    48 ILE  HG12    5.50 

HB2    48 ILE  HG13    5.50 

HB2    48 ILE  QD1     6.53 

HB3    41 THR  HN      5.50 

HB3    48 ILE  HN      5.50 

HB3    48 ILE  HG12    5.50 

HB3    48 ILE  HG13    5.50 

HB3    48 ILE  QD1     6.53 

QB     41 THR  HN      5.35 

QB     47 ALA  HA      6.38 

QB     48 ILE  HN      5.18 

QB     48 ILE  QG1     4.63 

QB     49 ASP- HN      6.04 

QB     49 ASP- HA      5.76 

QB     88 LEU  QQD     8.98 

QD1    48 ILE  HG12    6.85 

QD1    48 ILE  HG13    6.85 

QD1    48 ILE  QD1     7.56 

QD1    87 TRP  HZ3     6.53 

QD1    87 TRP  HH2     6.53 

QD1    88 LEU  QD1     9.30 

QD1    88 LEU  QD2     9.30 

QD2    48 ILE  HG12    6.85 

QD2    48 ILE  HG13    6.85 

QD2    48 ILE  QD1     7.56 

QD2    87 TRP  HZ3     6.53 

QD2    87 TRP  HH2     6.53 

QD2    88 LEU  QD1     9.30 

QD2    88 LEU  QD2     9.30 

QQD    48 ILE  QG1     5.93 

QQD    48 ILE  QD1     6.82 

QQD    49 ASP- HN      7.88 

QQD    49 ASP- HA      6.21 

QQD    87 TRP  HZ3     5.30 

QQD    87 TRP  HH2     5.24 

QQD    88 LEU  QQD     7.40 

 41 THR  

HN     41 THR  QG2     4.17 

HN     42 GLY  HN      3.76 

HN     42 GLY  HA1     5.50 

HN     47 ALA  HA      5.50 

HN     49 ASP- QB      6.38 

HA     41 THR  QG2     3.43 

HA     47 ALA  HA      5.50 

HA     47 ALA  QB      3.77 

HA     48 ILE  HN      5.50 

HA     49 ASP- HN      4.29 

HA     49 ASP- HB2     5.50 

HA     49 ASP- HB3     5.50 

HA     49 ASP- QB      5.30 

QG2    42 GLY  HN      6.53 

QG2    49 ASP- HN      6.53 

QG2    49 ASP- HB2     5.44 

QG2    49 ASP- HB3     5.44 

QG2    49 ASP- QB      5.01 

 42 GLY  

HN     47 ALA  HA      4.20 

HN     47 ALA  QB      5.91 

HN     48 ILE  HN      5.50 

HN     49 ASP- HN      5.13 

HA1    43 ALA  HN      3.05 

HA1    43 ALA  QB      6.53 

HA1    45 ALA  HN      5.50 

HA1    47 ALA  HN      4.72 

HA1    47 ALA  QB      6.09 

HA2    43 ALA  HN      3.36 

HA2    43 ALA  QB      6.53 

HA2    45 ALA  HN      5.50 

HA2    47 ALA  HN      4.45 

HA2    47 ALA  QB      5.38 

 43 ALA  

HN     44 SER  HN      4.88 

HN     44 SER  HA      5.34 

HN     45 ALA  HN      3.73 

HN     46 PRO  HA      5.13 

HN     47 ALA  QB      6.53 

HA     45 ALA  HN      5.50 

QB     44 SER  HN      3.74 

QB     44 SER  HA      6.53 

QB     45 ALA  HN      5.35 

 44 SER  

HN     45 ALA  HN      3.83 

HB2    45 ALA  HN      5.13 

HB3    45 ALA  HN      5.13 

 45 ALA  

HA     46 PRO  HG2     5.50 

HA     46 PRO  HG3     5.50 

HA     46 PRO  HD2     3.92 

HA     46 PRO  HD3     3.92 

HA     46 PRO  QD      3.24 

 46 PRO  

HA     47 ALA  HN      2.99 

HA     47 ALA  QB      4.95 

HB2    47 ALA  HN      3.92 

HB3    47 ALA  HN      3.92 

QB     47 ALA  HN      3.75 

HG2    47 ALA  HN      5.50 

HG3    47 ALA  HN      5.50 

 47 ALA  

HN     47 ALA  QB      3.46 

HA     48 ILE  HN      2.96 

HA     48 ILE  HG12    5.50 

HA     48 ILE  HG13    5.50 

QB     48 ILE  HN      4.42 

QB     48 ILE  HA      5.91 

QB     49 ASP- HN      3.74 

QB     49 ASP- QB      7.41 

QB     50 LYS+ HN      6.28 

 48 ILE  

HN     48 ILE  QG1     5.30 

HN     48 ILE  QD1     6.53 

HN     49 ASP- HN      3.08 

HN     49 ASP- HA      5.00 

HN     49 ASP- HB2     5.50 

HN     49 ASP- HB3     5.50 

HN     49 ASP- QB      5.07 

HN     50 LYS+ HN      4.97 

HA     48 ILE  QG2     3.74 

HA     50 LYS+ HN      4.07 

HA     51 ALA  HN      4.35 

HA     51 ALA  HA      5.31 

HA     51 ALA  QB      4.08 

HA     88 LEU  QQD     7.91 

HB     51 ALA  QB      3.80 

QG2    51 ALA  QB      7.56 

HG12   88 LEU  QD1     8.28 

HG12   88 LEU  QD2     8.28 

HG13   88 LEU  QD1     8.28 

HG13   88 LEU  QD2     8.28 

QG1    49 ASP- HN      6.38 

QG1    51 ALA  QB      7.41 

QG1    88 LEU  QQD     7.05 

QD1    88 LEU  QD1     7.56 

QD1    88 LEU  QD2     7.56 

 49 ASP- 

HN     49 ASP- HB2     4.11 

HN     49 ASP- HB3     4.11 

HN     49 ASP- QB      3.74 

HN     50 LYS+ HN      3.52 

HN     51 ALA  HN      5.16 

HA     51 ALA  HN      5.00 

HA     91 LYS+ QE      6.38 

HB2    50 LYS+ HN      5.22 

HB3    50 LYS+ HN      5.22 

 50 LYS+ 

HN     50 LYS+ HB2     4.11 

HN     50 LYS+ HB3     4.11 

HN     50 LYS+ QB      3.75 

HN     50 LYS+ HG2     5.25 

HN     50 LYS+ HG3     5.25 

HN     50 LYS+ QG      4.93 

HN     50 LYS+ HD2     5.50 

HN     50 LYS+ HD3     5.50 

HN     50 LYS+ QE      6.38 

HN     51 ALA  HN      3.36 

HN     51 ALA  HA      5.00 

HN     51 ALA  QB      5.63 

HA     50 LYS+ HD2     5.50 

HA     50 LYS+ HD3     5.50 

HA     52 GLY  HN      4.79 

HA     53 ALA  HN      5.50 

HA     91 LYS+ QB      5.51 

HA     92 LYS+ HN      5.50 

HB2    51 ALA  HN      5.04 

HB3    51 ALA  HN      5.04 

QB     50 LYS+ QE      6.75 

QB     51 ALA  HN      4.72 

QD     51 ALA  HN      6.38 

QD     92 LYS+ HA      6.38 

 51 ALA  

HN     52 GLY  HN      4.14 

HN     53 ALA  HN      5.44 

HN     88 LEU  QD1     6.53 

HN     88 LEU  QD2     6.53 

HN     91 LYS+ QB      6.38 

HA     53 ALA  HN      4.66 

HA     54 ASN  HN      4.51 

HA     54 ASN  QB      5.33 

HA     54 ASN  HD21    5.50 

HA     54 ASN  HD22    5.50 

HA     55 TYR  QD      7.64 

HA     55 TYR  QE      7.63 

HA     60 ILE  QD1     6.53 

QB     52 GLY  HA2     6.53 

QB     55 TYR  QB      7.41 

QB     55 TYR  QD      7.55 

QB     55 TYR  QE      8.66 

QB     60 ILE  QG2     7.56 

QB     60 ILE  HG12    6.53 

QB     60 ILE  HG13    6.53 

QB     60 ILE  QG1     5.85 

QB     60 ILE  QD1     6.01 

QB     88 LEU  QD1     7.06 

QB     88 LEU  QD2     7.06 

QB     88 LEU  QQD     6.54 

 52 GLY  

HN     53 ALA  HN      3.89 

HN     53 ALA  QB      6.12 

HN     54 ASN  HN      5.50 

HN     60 ILE  QD1     6.43 

HN     88 LEU  QD1     6.53 

HN     88 LEU  QD2     6.53 

HN     89 ALA  HA      5.50 

HN     91 LYS+ HN      4.82 

HN     91 LYS+ HB2     5.44 

HN     91 LYS+ HB3     5.44 

HN     91 LYS+ QB      5.30 

HN     92 LYS+ HA      4.88 

HA1    54 ASN  HN      5.50 

HA1    55 TYR  HN      5.10 

HA1    60 ILE  QD1     4.85 

HA1    89 ALA  HA      4.85 

HA2    54 ASN  HN      5.19 

HA2    90 GLU- HA      5.50 

HA2    91 LYS+ HN      4.60 

HA2    92 LYS+ HG2     5.50 

HA2    92 LYS+ HG3     5.50 

HA2    92 LYS+ QE      6.38 

 53 ALA  

HN     53 ALA  QB      3.61 

HN     54 ASN  HN      3.67 

HN     92 LYS+ HA      4.82 

HN     92 LYS+ QB      6.38 

HN     92 LYS+ QG      6.38 

HA     92 LYS+ QB      6.38 

HA     92 LYS+ QG      6.01 

HA     92 LYS+ QE      6.38 

QB     54 ASN  HA      6.25 

QB     54 ASN  QB      7.41 

QB     54 ASN  HD21    6.53 

QB     54 ASN  HD22    6.53 

 54 ASN  

HN     54 ASN  HB2     3.92 

HN     54 ASN  HB3     3.92 

HN     54 ASN  QB      3.74 

HN     54 ASN  QD2     6.37 

HN     55 TYR  HN      3.08 

HN     55 TYR  QB      6.26 

HN     55 TYR  QD      7.64 

HN     55 TYR  QE      7.63 

HA     55 TYR  QD      7.64 

HB2    55 TYR  HN      4.54 

HB2    55 TYR  QD      7.64 

HB2    55 TYR  QE      7.63 

HB3    55 TYR  HN      4.54 

HB3    55 TYR  QD      7.64 

HB3    55 TYR  QE      7.63 

QB     55 TYR  HN      4.34 

QB     55 TYR  QD      7.51 

 55 TYR  

HN     55 TYR  HB2     4.07 

HN     55 TYR  HB3     4.07 

HN     55 TYR  QB      3.79 

HN     60 ILE  QD1     5.88 

HA     56 SER  HN      3.17 

HA     59 GLU- HB2     4.57 

HA     59 GLU- HB3     4.76 

HA     59 GLU- HG2     5.50 

HA     59 GLU- HG3     5.50 

HB2    56 SER  HN      4.38 

HB2    59 GLU- HG2     7.25 

HB2    59 GLU- HG3     7.25 

HB2    60 ILE  HN      5.50 

HB2    60 ILE  HB      5.50 

HB2    60 ILE  HG12    5.00 

HB2    60 ILE  HG13    5.00 

HB2    60 ILE  QD1     5.63 

HB3    56 SER  HN      4.38 

HB3    59 GLU- HG2     7.25 

HB3    59 GLU- HG3     7.25 

HB3    60 ILE  HN      5.50 

HB3    60 ILE  HB      5.50 

HB3    60 ILE  HG12    5.00 

HB3    60 ILE  HG13    5.00 

HB3    60 ILE  QD1     5.63 

QB     56 SER  HN      4.05 

QB     59 GLU- HB2     4.52 

QB     59 GLU- HB3     5.39 

QB     59 GLU- QG      6.19 

QB     60 ILE  HN      5.29 

QB     60 ILE  HB      5.18 

QB     60 ILE  QG1     4.08 

QB     60 ILE  QD1     4.98 

QD     56 SER  HN      7.64 

QD     59 GLU- HA      7.64 

QD     59 GLU- HB2     7.64 

QD     59 GLU- HB3     6.55 

QD     59 GLU- HG2     7.64 

QD     59 GLU- HG3     7.64 

QD     60 ILE  HN      7.64 

QD     60 ILE  HG12    7.64 

QD     60 ILE  HG13    7.64 

QD     60 ILE  QD1     8.39 

QD     63 ILE  QD1     8.33 

QE     56 SER  HN      7.63 

QE     59 GLU- HB3     7.63 

QE     63 ILE  QD1     7.42 

HE1    63 ILE  QD1     6.53   

 56 SER  

HN     56 SER  QB      3.92 

HN     59 GLU- HN      4.35 

HN     59 GLU- HA      5.38 

HN     59 GLU- HB2     3.55 

HN     59 GLU- HB3     4.11 

HN     59 GLU- HG2     5.50 

HN     59 GLU- HG3     5.50 

HN     60 ILE  HN      5.04 

HN     60 ILE  QG1     6.38 

HA     57 GLU- HN      3.27 

HA     57 GLU- HA      5.47 

HA     58 GLU- HN      5.19 

HA     60 ILE  QD1     6.53 

HB2    57 GLU- HN      4.04 

HB2    58 GLU- HN      5.50 

HB2    59 GLU- HN      5.50 

HB3    57 GLU- HN      4.04 

HB3    58 GLU- HN      5.50 

HB3    59 GLU- HN      5.50 

QB     57 GLU- HN      3.77 

QB     58 GLU- HN      4.85 

QB     59 GLU- HN      4.80 

 57 GLU- 

HN     57 GLU- QB      3.73 

HN     57 GLU- QG      4.55 

HN     58 GLU- HN      3.95 

HN     58 GLU- QB      6.38 

HN     59 GLU- HN      5.41 

HN     60 ILE  HN      5.50 

HN     60 ILE  QD1     6.53 

HN     89 ALA  QB      4.76 

HA     57 GLU- HG2     4.14 

HA     57 GLU- HG3     4.14 

HA     57 GLU- QG      3.86 

HA     60 ILE  HN      4.38 

HA     60 ILE  HB      3.89 

HA     60 ILE  QG2     6.12 

HA     60 ILE  QG1     6.38 

HA     60 ILE  QD1     4.92 

HA     61 LEU  HN      5.16 

HA     85 ALA  QB      5.78 

HA     89 ALA  QB      4.02 

HB2    58 GLU- HN      4.94 

HB2    85 ALA  QB      5.26 

HB2    89 ALA  QB      5.04 

HB3    58 GLU- HN      4.94 

HB3    85 ALA  QB      5.26 

HB3    89 ALA  QB      5.04 

QB     58 GLU- HN      4.51 

QB     60 ILE  QD1     7.41 

QB     85 ALA  QB      5.03 

QB     89 ALA  QB      4.57 

HG2    58 GLU- HN      5.50 

HG3    58 GLU- HN      5.50 

QG     58 GLU- HN      4.73 

QG     85 ALA  QB      5.86 

QG     86 ALA  HA      4.74 

QG     89 ALA  QB      5.30 

 58 GLU- 

HN     58 GLU- HB2     3.86 

HN     58 GLU- HB3     3.86 

HN     58 GLU- QB      3.57 

HN     58 GLU- HG2     5.50 

HN     58 GLU- HG3     5.50 

HN     58 GLU- QG      5.37 

HN     59 GLU- HN      3.73 

HN     59 GLU- HB2     5.50 

HN     59 GLU- QG      6.38 

HN     60 ILE  HN      5.47 

HA     60 ILE  HN      5.34 

HA     61 LEU  HN      4.35 

HA     61 LEU  HB2     4.26 

HA     61 LEU  QD2     5.41 

HA     62 ASP- HN      5.10 

HB2    59 GLU- HN      4.32 

HB3    59 GLU- HN      4.32 

QB     59 GLU- HN      4.12 

QG     59 GLU- HN      6.38 

 59 GLU- 

HN     59 GLU- HB2     3.55 

HN     59 GLU- HB3     3.95 

HN     59 GLU- HG2     4.42 

HN     59 GLU- HG3     4.42 

HN     59 GLU- QG      4.22 

HN     60 ILE  HN      3.61 

HN     60 ILE  HG12    5.50 

HN     60 ILE  HG13    5.50 

HN     61 LEU  HN      5.44 

HA     59 GLU- HG2     3.86 

HA     59 GLU- HG3     3.86 

HA     61 LEU  HN      5.50 

HA     62 ASP- HN      4.38 

HA     62 ASP- HB2     4.20 

HA     62 ASP- HB3     4.20 

HA     63 ILE  HN      5.34 

HB2    60 ILE  HN      3.98 

HB2    60 ILE  HG12    5.50 

HB2    60 ILE  HG13    5.50 

HB3    60 ILE  HN      4.35 

HB3    63 ILE  QD1     6.19 

HG2    60 ILE  HN      5.50 

HG3    60 ILE  HN      5.50 

 60 ILE  

HN     60 ILE  HB      3.30 

HN     60 ILE  HG12    4.23 

HN     60 ILE  HG13    4.23 

HN     60 ILE  QG1     3.76 

HN     60 ILE  QD1     4.98 

HN     61 LEU  HN      4.51 

HN     61 LEU  HA      5.25 

HN     61 LEU  HB3     5.34 

HN     62 ASP- HN      5.50 

HN     85 ALA  QB      5.88 

HA     60 ILE  HG12    2.83 

HA     60 ILE  HG13    2.83 

HA     60 ILE  QG1     2.57 

HA     63 ILE  HN      3.92 

HA     63 ILE  HB      5.50 

HA     63 ILE  QD1     3.99 

HA     64 ILE  HN      4.85 

HB     61 LEU  HN      3.67 

HB     61 LEU  HA      5.50 

HB     85 ALA  HA      4.97 

HB     85 ALA  QB      5.07 

QG2    61 LEU  HN      5.32 

QG2    61 LEU  HA      5.54 

QG2    63 ILE  HB      6.40 

QG2    63 ILE  QD1     7.56 

QG2    64 ILE  HN      6.22 

QG2    64 ILE  HB      6.53 

QG2    64 ILE  HG12    5.78 

QG2    64 ILE  QD1     5.85 

QG2    84 VAL  QG1     7.56 

QG2    85 ALA  HN      6.16 

QG2    85 ALA  HA      3.61 

QG2    85 ALA  QB      5.79 

QG2    88 LEU  HB2     4.57 

QG2    88 LEU  HB3     4.54 

QG2    88 LEU  QQD     8.16 

QG2    89 ALA  HN      6.53 

QG2    89 ALA  QB      7.56 

QG1    61 LEU  HN      6.38 

QG1    88 LEU  HB2     6.38 

QD1    61 LEU  HN      6.53 

QD1    85 ALA  HA      5.50 

QD1    88 LEU  HB2     4.51 

QD1    88 LEU  HB3     4.20 

QD1    88 LEU  QD1     7.56 

QD1    88 LEU  QD2     7.56 

QD1    89 ALA  HN      5.04 

QD1    89 ALA  HA      3.89 

QD1    89 ALA  QB      6.10 

 61 LEU  

HN     61 LEU  HB2     3.11 

HN     61 LEU  HB3     3.36 

HN     61 LEU  HG      5.19 

HN     61 LEU  QD1     5.47 

HN     61 LEU  QD2     5.38 

HN     62 ASP- HN      3.79 

HN     64 ILE  QD1     6.53 

HN     85 ALA  HA      5.50 

HA     61 LEU  HG      4.23 

HA     61 LEU  QD1     3.55 

HA     61 LEU  QD2     5.32 

HA     64 ILE  HN      4.04 

HA     64 ILE  HB      3.61 

HA     64 ILE  QG2     5.66 

HA     64 ILE  HG12    5.50 

HA     64 ILE  HG13    4.35 

HA     64 ILE  QD1     4.23 

HA     65 LEU  HN      5.38 

HA     81 ALA  QB      5.94 

HB2    61 LEU  QD1     3.61 

HB2    62 ASP- HN      3.95 

HB2    82 GLU- HA      5.50 

HB3    61 LEU  QD2     3.71 

HB3    62 ASP- HN      3.67 

HG     62 ASP- HN      5.47 

HG     65 LEU  HN      5.50 

HG     65 LEU  QQD     5.31 

QD1    62 ASP- HN      6.53 

QD1    64 ILE  HN      6.53 

QD1    64 ILE  HB      4.67 

QD1    64 ILE  QD1     6.90 

QD1    65 LEU  HN      5.57 

QD1    65 LEU  QQD     7.33 

QD1    81 ALA  HN      6.53 

QD1    81 ALA  HA      5.88 

QD1    81 ALA  QB      5.88 

QD1    82 GLU- HN      5.19 

QD1    82 GLU- HA      3.86 

QD1    82 GLU- HB2     6.37 

QD1    82 GLU- HB3     5.63 

QD1    82 GLU- HG2     4.57 

QD1    82 GLU- HG3     4.70 

QD1    85 ALA  HN      6.31 

QD2    62 ASP- HN      6.03 

QD2    82 GLU- HA      5.10 

QD2    82 GLU- HB2     6.47 

QD2    82 GLU- HB3     5.75 

QD2    82 GLU- HG2     4.17 

QD2    82 GLU- HG3     4.85 

 62 ASP- 

HN     62 ASP- HB2     3.52 

HN     62 ASP- HB3     3.52 

HN     62 ASP- QB      3.31 

HN     63 ILE  HN      3.70 

HN     64 ILE  HN      5.31 

HN     65 LEU  HN      5.50 

HA     65 LEU  HN      4.26 

HA     65 LEU  QB      4.77 

HA     66 ASN  HN      4.35 

HA     66 ASN  HD21    5.50 

HA     66 ASN  HD22    5.50 

HA     66 ASN  QD2     5.00 

HB2    63 ILE  HN      4.17 

HB2    66 ASN  HD21    5.50 

HB2    66 ASN  HD22    5.50 

HB3    63 ILE  HN      4.17 

HB3    66 ASN  HD21    5.50 

HB3    66 ASN  HD22    5.50 

QB     63 ILE  HN      3.97 

QB     63 ILE  HA      6.38 

QB     63 ILE  HB      6.38 

 63 ILE  

HN     63 ILE  HB      2.96 

HN     63 ILE  QG1     5.30 

HN     63 ILE  QD1     5.01 

HN     64 ILE  HN      3.73 

HN     64 ILE  HB      5.25 

HN     65 LEU  HN      5.13 

HN     66 ASN  HN      5.50 

HA     63 ILE  QG1     3.92 

HA     67 GLY  HN      4.17 

HA     68 GLN  HB2     5.50 

HA     68 GLN  HB3     5.50 

HB     63 ILE  QG1     2.65 

HB     63 ILE  QD1     3.46 

HB     64 ILE  HN      3.70 

HB     68 GLN  HB2     5.50 

HB     68 GLN  HB3     5.50 

HB     71 MET  QE      6.50 

QG2    71 MET  QE      6.50 

QG1    68 GLN  QB      4.92 

QD1    64 ILE  HN      6.28 

QD1    68 GLN  HE21    6.00 

QD1    68 GLN  HE22    5.32 

 64 ILE  

HN     64 ILE  HB      2.80 

HN     64 ILE  HG12    3.98 

HN     64 ILE  HG13    3.02 

HN     64 ILE  QD1     4.85 

HN     65 LEU  HN      3.61 

HN     65 LEU  HG      5.50 

HN     66 ASN  HN      5.34 

HN     67 GLY  HN      5.50 

HN     71 MET  QE      6.50 

HA     64 ILE  HG12    3.55 

HA     71 MET  QE      3.00 

HB     64 ILE  QD1     3.77 

HB     65 LEU  HN      3.42 

HB     81 ALA  QB      4.67 

QG2    64 ILE  HG12    3.80 

QG2    65 LEU  HN      5.10 

QG2    65 LEU  HA      5.29 

QG2    71 MET  QE      6.50 

QG2    75 ILE  HN      6.03 

QG2    76 ALA  HN      4.33 

QG2    81 ALA  HA      4.42 

QG2    81 ALA  QB      5.60 

HG12   65 LEU  HN      5.50 

HG12   71 MET  QE      6.50 

HG12   81 ALA  HA      5.50 

HG12   81 ALA  QB      6.53 

HG12   84 VAL  QG1     5.94 

HG13   71 MET  QE      6.50 

QD1    65 LEU  HN      6.25 

QD1    76 ALA  QB      6.81 

QD1    81 ALA  HA      4.64 

QD1    81 ALA  QB      6.59 

QD1    84 VAL  HN      6.16 

QD1    85 ALA  HN      5.01 

QD1    85 ALA  HA      4.98 

 65 LEU  

HN     65 LEU  HB2     3.83 

HN     65 LEU  HB3     3.83 

HN     65 LEU  QB      3.54 

HN     65 LEU  HG      3.11 

HN     65 LEU  QQD     5.87 

HN     66 ASN  HN      3.61 

HN     67 GLY  HN      5.00 

HN     81 ALA  QB      6.31 

HA     74 GLY  HN      3.86 

HA     74 GLY  HA1     5.34 

HA     75 ILE  HN      5.50 

HB2    66 ASN  HN      3.92 

HB2    66 ASN  HD21    7.23 

HB2    66 ASN  HD22    7.23 

HB3    66 ASN  HN      3.92 

HB3    66 ASN  HD21    7.23 

HB3    66 ASN  HD22    7.23 

QB     66 ASN  HN      3.65 

QB     66 ASN  QD2     5.85 

QB     67 GLY  HN      6.19 

HG     66 ASN  HN      5.50 

HG     81 ALA  QB      4.98 

QQD    66 ASN  HN      7.07 

QQD    66 ASN  QD2     8.81 

QQD    76 ALA  HN      8.10 

QQD    77 LYS+ HA      5.46 

QQD    78 GLY  HN      5.90 

QQD    78 GLY  QA      8.98 

QQD    81 ALA  HN      8.10 

QQD    81 ALA  HA      8.10 

QQD    81 ALA  QB      7.20 

 66 ASN  

HN     66 ASN  HB2     3.45 

HN     66 ASN  HB3     3.95 

HN     66 ASN  HD21    5.50 

HN     66 ASN  HD22    5.50 

HN     66 ASN  QD2     5.29 

HN     67 GLY  HN      3.14 

HN     67 GLY  HA1     4.85 

HN     67 GLY  HA2     5.25 

HN     73 GLY  HA1     5.50 

HN     73 GLY  HA2     5.50 

HN     74 GLY  HN      5.50 

HA     66 ASN  HD21    5.50 

HA     66 ASN  HD22    5.50 

HA     67 GLY  HA1     5.50 

HA     67 GLY  HA2     5.50 

HA     73 GLY  QA      5.98 

HA     74 GLY  HN      4.85 

HB2    67 GLY  HN      4.45 

HB3    67 GLY  HN      4.85 

 67 GLY  

HN     68 GLN  HN      4.94 

HN     73 GLY  HN      5.50 

HN     73 GLY  HA1     4.38 

HN     73 GLY  HA2     4.38 

HN     73 GLY  QA      4.20 

HN     74 GLY  HN      5.22 

HA1    71 MET  QB      6.10   

HA1    71 MET  QG      6.38 

HA1    71 MET  QE      6.50 

HA1    73 GLY  HN      4.82 

HA1    73 GLY  HA1     4.29 

HA1    73 GLY  HA2     4.29 

HA1    73 GLY  QA      4.06 

HA2    68 GLN  HA      5.47 

HA2    71 MET  QB      5.95   

HA2    71 MET  QE      6.50 

HA2    72 PRO  HA      4.91 

HA2    73 GLY  HN      4.20 

HA2    73 GLY  HA1     3.86 

HA2    73 GLY  HA2     3.86 

HA2    73 GLY  QA      3.44 

HA2    75 ILE  HB      5.50 

 68 GLN  

HN     69 GLY  HN      5.13 

HN     71 MET  HN      4.85 

HA     68 GLN  QG      3.93 

HA     69 GLY  HN      2.96 

HA     69 GLY  HA1     5.04 

HA     69 GLY  HA2     5.50 

HB2    68 GLN  HE21    5.50 

HB2    69 GLY  HN      5.50 

HB3    68 GLN  HE21    5.50 

HB3    69 GLY  HN      5.50 

QB     71 MET  QB      7.25   

HG2    69 GLY  HN      4.91 

HG2    69 GLY  HA1     5.50 

HG2    69 GLY  HA2     5.50 

HG3    69 GLY  HN      4.91 

HG3    69 GLY  HA1     5.50 

HG3    69 GLY  HA2     5.50 

QG     69 GLY  HN      4.60 

 69 GLY  

HN     70 GLY  HN      4.69 

HA1    70 GLY  HN      3.61 

HA2    70 GLY  HN      3.08 

HA2    71 MET  HN      4.94 

 70 GLY  

HN     71 MET  HN      4.14 

 71 MET  

HA     71 MET  QG      3.61 

HA     71 MET  QE      6.50 

QG     72 PRO  QD      4.75 

QG     75 ILE  QD1     7.38 

QE     72 PRO  HD2     6.50 

QE     72 PRO  HD3     6.50 

QE     75 ILE  HB      6.50 

QE     75 ILE  QD1     6.50 

 72 PRO  

HB2    73 GLY  HN      3.92 

HB3    73 GLY  HN      3.92 

QB     75 ILE  HN      6.38 

QB     75 ILE  QG1     7.25 

QB     75 ILE  QD1     6.88 

QG     75 ILE  HN      6.38 

QG     75 ILE  QG1     7.25 

QG     75 ILE  QD1     5.21 

QD     75 ILE  QD1     5.08 

 73 GLY  

HN     74 GLY  HN      4.66 

HA1    74 GLY  HN      3.58 

HA2    74 GLY  HN      3.58 

QA     75 ILE  HN      5.82 

 74 GLY  

HN     75 ILE  HN      3.98 

HN     76 ALA  HN      5.00 

HA1    76 ALA  HN      4.85 

HA1    77 LYS+ QE      6.38 

HA2    75 ILE  QG1     6.38 

HA2    76 ALA  HN      5.50 

HA2    77 LYS+ QE      6.38 

 75 ILE  

HN     75 ILE  HB      3.33 

HN     75 ILE  HG12    4.23 

HN     75 ILE  HG13    4.23 

HN     75 ILE  QG1     3.77 

HN     75 ILE  QD1     5.78 

HN     76 ALA  HN      3.48 

HA     75 ILE  HG12    3.98 

HA     75 ILE  HG13    3.98 

HA     75 ILE  QG1     3.54 

HB     76 ALA  HN      3.92 

QG2    76 ALA  HN      5.44 

QG2    76 ALA  HA      6.12 

QG1    76 ALA  HN      6.19 

 76 ALA  

HN     77 LYS+ HN      4.88 

HN     77 LYS+ HA      5.50 

HN     77 LYS+ QG      6.38 

HA     77 LYS+ HN      2.96 

QB     77 LYS+ HN      4.05 

QB     77 LYS+ HA      6.12 

QB     80 GLU- HN      6.53 

QB     80 GLU- HB2     6.53 

QB     80 GLU- HB3     4.85 

QB     80 GLU- QG      5.33 

QB     81 ALA  HN      5.26 

QB     81 ALA  HA      4.17 

QB     81 ALA  QB      6.01 

 77 LYS+ 

HN     77 LYS+ HG2     5.50 

HN     77 LYS+ HG3     5.50 

HN     77 LYS+ QG      5.22 

HN     77 LYS+ QD      6.38 

HN     78 GLY  HN      5.50 

HN     80 GLU- HB2     5.50 

HN     80 GLU- HB3     4.32 

HN     80 GLU- QG      6.38 

HN     81 ALA  HN      4.54 

HN     81 ALA  QB      5.38 

HA     77 LYS+ HD2     5.50 

HA     77 LYS+ HD3     5.50 

HA     77 LYS+ QE      6.38 

HA     78 GLY  HN      3.27 

HA     78 GLY  HA1     5.50 

HA     78 GLY  HA2     5.50 

HA     81 ALA  HN      5.07 

HA     81 ALA  QB      3.99 

HB2    77 LYS+ HE2     7.25 

HB2    77 LYS+ HE3     7.25 

HB2    78 GLY  HN      4.04 

HB2    78 GLY  HA1     7.25 

HB2    78 GLY  HA2     7.25 

HB3    77 LYS+ HE2     7.25 

HB3    77 LYS+ HE3     7.25 

HB3    78 GLY  HN      4.04 

HB3    78 GLY  HA1     7.25 

HB3    78 GLY  HA2     7.25 

QB     77 LYS+ QE      6.32 

QB     78 GLY  HN      3.69 

QB     78 GLY  QA      6.32 

HG2    78 GLY  HN      5.50 

HG3    78 GLY  HN      5.50 

QD     78 GLY  HN      6.38 

 78 GLY  

HN     81 ALA  HN      5.50 

HN     81 ALA  QB      5.19 

HA1    80 GLU- HN      5.50 

HA1    81 ALA  HN      5.50 

HA2    80 GLU- HN      5.50 

HA2    81 ALA  HN      5.50 

 79 ALA  

HN     80 GLU- HN      4.17 

HN     81 ALA  HN      5.50 

HN     82 GLU- HN      5.50 

HA     81 ALA  HN      5.50 

HA     82 GLU- HN      4.11 

HA     82 GLU- HB2     3.52 

HA     82 GLU- HB3     3.73 

HA     82 GLU- HG2     5.50 

HA     82 GLU- HG3     5.34 

QB     80 GLU- HN      4.42 

QB     80 GLU- HB2     6.00 

QB     81 ALA  HN      6.53 

 80 GLU- 

HN     80 GLU- HB2     3.83 

HN     80 GLU- HB3     3.45 

HN     80 GLU- HG2     5.50 

HN     80 GLU- HG3     5.50 

HN     80 GLU- QG      4.87 

HN     81 ALA  HN      3.42 

HN     81 ALA  QB      6.03 

HN     82 GLU- HN      5.50 

HA     80 GLU- HG2     4.17 

HA     80 GLU- HG3     4.17 

HA     80 GLU- QG      3.98 

HA     82 GLU- HN      5.50 

HA     83 ALA  HN      4.79 

HA     83 ALA  QB      4.64 

HA     84 VAL  HN      5.34 

HB2    80 GLU- QG      2.74 

HB2    81 ALA  HN      4.76 

HB3    80 GLU- QG      2.74 

HB3    81 ALA  HN      3.76 

HB3    81 ALA  HA      5.50 

HG2    81 ALA  HN      5.50 

HG2    84 VAL  QG2     5.69 

HG3    81 ALA  HN      5.50 

HG3    84 VAL  QG2     5.69 

QG     81 ALA  HN      5.11 

QG     84 VAL  QG2     5.51 

 81 ALA  

HN     82 GLU- HN      3.55 

HN     83 ALA  HN      5.50 

HA     84 VAL  HN      4.72 

HA     84 VAL  HB      3.83 

HA     84 VAL  QG1     6.53 

QB     82 GLU- HN      4.08 

QB     82 GLU- HA      6.47 

QB     82 GLU- HG2     6.53 

QB     82 GLU- HG3     5.72 

QB     84 VAL  HN      6.53 

 82 GLU- 

HN     82 GLU- HB2     3.58 

HN     82 GLU- HB3     3.73 

HN     82 GLU- HG2     4.01 

HN     82 GLU- HG3     3.42 

HN     83 ALA  HN      4.11 

HA     82 GLU- HG2     3.73 

HA     82 GLU- HG3     4.14 

HA     85 ALA  HN      4.82 

HB2    83 ALA  HN      4.11 

HB3    83 ALA  HN      4.35 

HG3    83 ALA  HN      5.50 

 83 ALA  

HN     84 VAL  HN      5.50 

HA     86 ALA  HN      4.48 

HA     86 ALA  QB      4.36 

QB     84 VAL  QG2     7.15 

 84 VAL  

HN     84 VAL  HB      3.33 

HN     84 VAL  QG2     3.95 

HN     85 ALA  HN      3.83 

HA     84 VAL  QG2     3.77 

HA     87 TRP  HN      4.20 

HA     87 TRP  HE3     5.50 

HA     88 LEU  HN      4.54 

HB     85 ALA  HN      3.55 

QG1    85 ALA  HN      5.50 

QG1    85 ALA  HA      5.63 

QG1    87 TRP  HE3     5.54 

QG1    87 TRP  HZ3     6.53 

QG1    88 LEU  HN      6.25 

QG1    88 LEU  HB2     5.94 

QG1    88 LEU  QQD     9.13 

QG2    85 ALA  HN      5.91 

 85 ALA  

HN     86 ALA  HN      3.86 

HN     87 TRP  HN      5.50 

HA     87 TRP  HN      5.50 

HA     88 LEU  HN      4.60 

HA     88 LEU  HB2     4.29 

HA     88 LEU  HB3     4.69 

HA     88 LEU  QQD     7.38 

HA     89 ALA  HN      5.16 

QB     86 ALA  HN      4.30 

 86 ALA  

HN     86 ALA  QB      3.61 

HN     87 TRP  HN      5.50 

HN     87 TRP  HB2     5.50 

HN     87 TRP  HB3     5.50 

HN     88 LEU  HN      5.31 

HA     89 ALA  HN      4.60 

QB     87 TRP  HN      4.26 

QB     87 TRP  HB2     6.28 

QB     87 TRP  HB3     6.28 

QB     87 TRP  QB      6.14 

 87 TRP  

HN     87 TRP  HB2     3.52 

HN     87 TRP  HB3     3.52 

HN     87 TRP  HD1     5.50 

HN     87 TRP  HE3     5.50 

HN     88 LEU  HN      3.73 

HN     89 ALA  HN      5.50 

HA     87 TRP  HD1     4.54 

HA     87 TRP  HE3     5.50 

HA     87 TRP  HE1     5.50 

HA     89 ALA  HN      5.50 

HB2    88 LEU  HN      3.98 

HB3    88 LEU  HN      3.98 

QB     87 TRP  HZ3     5.92 

QB     88 LEU  HA      6.38 

HD1    88 LEU  HN      5.50 

HE3    88 LEU  HN      4.69 

HE3    88 LEU  HA      4.97 

HE3    88 LEU  HB2     5.04 

HE3    88 LEU  HB3     5.50 

HE3    88 LEU  HG      3.76 

HE3    88 LEU  QD1     5.60 

HE3    88 LEU  QD2     5.60 

HE3    88 LEU  QQD     5.00 

HE3    91 LYS+ QD      6.38 

HE1    91 LYS+ QG      6.38 

HE1    91 LYS+ QD      6.38 

HZ3    88 LEU  HA      5.50 

HZ3    88 LEU  QD1     5.13 

HZ3    88 LEU  QD2     5.13 

HZ3    88 LEU  QQD     4.63 

HZ3    91 LYS+ QD      6.38 

HZ3    91 LYS+ QE      6.38 

HZ2    91 LYS+ QD      6.38 

HZ2    91 LYS+ QE      6.38 

HH2    88 LEU  QD1     6.53 

HH2    88 LEU  QD2     6.53 

HH2    91 LYS+ QD      6.38 

HH2    91 LYS+ QE      6.19 

 88 LEU  

HN     88 LEU  HB2     3.42 

HN     88 LEU  HB3     3.89 

HN     88 LEU  HG      4.17 

HN     88 LEU  QD1     6.12 

HN     88 LEU  QD2     6.12 

HN     89 ALA  HN      3.76 

HN     89 ALA  QB      5.97 

HN     90 GLU- HN      5.50 

HA     88 LEU  QD1     4.73 

HA     88 LEU  QD2     4.73 

HA     88 LEU  QQD     4.14 

HA     90 GLU- HN      5.19 

HA     91 LYS+ HN      4.48 

HA     91 LYS+ HB2     4.82 

HA     91 LYS+ HB3     4.82 

HA     91 LYS+ QB      4.66 

HA     91 LYS+ HG2     4.35 

HA     91 LYS+ HG3     4.35 

HA     91 LYS+ QG      4.09 

HA     91 LYS+ QD      6.38 

HA     91 LYS+ QE      6.38 

HB2    89 ALA  HN      4.26 

HB3    89 ALA  HN      4.38 

QD1    91 LYS+ HN      6.53 

QD1    91 LYS+ HB2     6.53 

QD1    91 LYS+ HB3     6.53 

QD2    91 LYS+ HN      6.53 

QD2    91 LYS+ HB2     6.53 

QD2    91 LYS+ HB3     6.53 

QQD    89 ALA  HN      8.10 

QQD    91 LYS+ QB      6.24 

QQD    91 LYS+ QG      7.58 

QQD    91 LYS+ QD      8.79 

QQD    91 LYS+ QE      8.98 

 89 ALA  

HN     90 GLU- HN      4.01 

HN     91 LYS+ HN      5.50 

HA     91 LYS+ HN      5.28 

QB     90 GLU- HA      4.98 

QB     90 GLU- QG      6.82 

QB     91 LYS+ HN      6.53 

 90 GLU- 

HN     90 GLU- HB2     4.14 

HN     90 GLU- HB3     4.14 

HN     90 GLU- QB      3.74 

HN     90 GLU- HG2     5.07 

HN     90 GLU- HG3     5.07 

HN     90 GLU- QG      4.93 

HN     91 LYS+ HN      3.58 

HA     92 LYS+ QE      5.20 

HB2    91 LYS+ HN      5.38 

HB3    91 LYS+ HN      5.38 

 91 LYS+ 

HN     91 LYS+ HB2     3.79 

HN     91 LYS+ HB3     3.79 

HN     91 LYS+ QB      3.61 

HN     91 LYS+ HG2     4.60 

HN     91 LYS+ HG3     4.60 

HN     91 LYS+ QG      4.44 

HN     91 LYS+ QD      6.38 

HA     91 LYS+ QG      3.92 

HA     91 LYS+ QD      6.38 

HB2    92 LYS+ HN      5.50 

HB3    92 LYS+ HN      5.50 

QB     92 LYS+ HN      5.07 

 92 LYS+ 

HN     92 LYS+ QB      3.92 

HN     92 LYS+ HG2     4.60 

HN     92 LYS+ HG3     4.60 

HA     92 LYS+ HG2     3.98 

HA     92 LYS+ HG3     3.98 

HB2    92 LYS+ HE2     7.25 

HB2    92 LYS+ HE3     7.25 

HB3    92 LYS+ HE2     7.25 

HB3    92 LYS+ HE3     7.25 

QB     92 LYS+ QE      5.51 



1D NOE

36 HEM

HD2    36 HEM  HA      5.50    

HD2    36 HEM  HB2     5.50    

HD2    36 HEM  HB3     5.50    

HD2    35 CYSS HB2     5.50    

HD2    32 CYSS HB3     3.00    

HD2    48 ILE  QD1     6.50    

HE1    36 HEM  HAP61   5.50    

HE1    36 HEM  HBP73   5.50    

HE1    36 HEM  HGM     5.50    

HE1    45 ALA  QB      6.50    

HE1    46 PRO  HD3     5.50    

HE1    48 ILE  QG2     6.50    

HE1    48 ILE  QD1     6.50    

71 MET  

HB3    71 MET  HA      5.50   

HB3    71 MET  HB2     3.00   

HB3    71 MET  HG2     5.50  

HB3    68 GLN  HB3     5.50  

HB3    67 GLY  HA1     5.50  

HB3    36 HEM  HBP63   5.50    

HB3    36 HEM  HBP64   5.50

HB3    36 HEM  QM5     6.50    

HG3    71 MET  HA      3.00   

HG3    71 MET  HB3     5.50   

HG3    71 MET  HG2     3.00   

HG3    67 GLY  HA1     5.50

HG3    72 PRO  HD2     5.50

HG3    72 PRO  HD3     3.00

HG3    75 ILE  QD1     6.50

HG3    36 HEM  QM5     6.50

QE     71 MET  HA      6.50 

QE     71 MET  HB3     6.50 

QE     63 ILE  HB      6.50 

QE     63 ILE  QG2     6.50 

QE     64 ILE  HN      6.50 

QE     64 ILE  HA      3.00 

QE     64 ILE  HG12    6.50 

QE     64 ILE  HG13    6.50 

QE     64 ILE  QG2     6.50 

QE     67 GLY  HA1     6.50 

QE     67 GLY  HA2     6.50 

QE     72 PRO  HD2     6.50 

QE     72 PRO  HD3     6.50 

QE     75 ILE  HB      6.50 

QE     75 ILE  QD1     6.50

QE     36 HEM  QM1     6.50   





Dihedral angle constraints used in solution structure calculations.





Residue #

Dihedral angle

Range

23

PHI

-145.0

-75.0

47

PHI

-145.0

-75.0

55

PHI

-145.0

-75.0

56

PHI

-145.0

-75.0

76

PHI

-145.0

-75.0

77

PHI

-145.0

-75.0

91

PHI

-145.0

-75.0

23

PSI

100.0

180.0

47

PSI

100.0

180.0

55

PSI

100.0

180.0

56

PSI

100.0

180.0

76

PSI

100.0

180.0

77

PSI

100.0

180.0

91

PSI

100.0

180.0

24

PHI

-105.0

-35.0

25

PHI

-105.0

-35.0

26

PHI

-105.0

-35.0

27

PHI

-105.0

-35.0

28

PHI

-105.0

-35.0

39

PHI

-105.0

-35.0

44

PHI

-105.0

-35.0

48

PHI

-105.0

-35.0

49

PHI

-105.0

-35.0

51

PHI

-105.0

-35.0

53

PHI

-105.0

-35.0

54

PHI

-105.0

-35.0

57

PHI

-105.0

-35.0

58

PHI

-105.0

-35.0

59

PHI

-105.0

-35.0

60

PHI

-105.0

-35.0

61

PHI

-105.0

-35.0

62

PHI

-105.0

-35.0

63

PHI

-105.0

-35.0

65

PHI

-105.0

-35.0

75

PHI

-105.0

-35.0

79

PHI

-105.0

-35.0

80

PHI

-105.0

-35.0

81

PHI

-105.0

-35.0

82

PHI

-105.0

-35.0

83

PHI

-105.0

-35.0

84

PHI

-105.0

-35.0

85

PHI

-105.0

-35.0

87

PHI

-105.0

-35.0

88

PHI

-105.0

-35.0

89

PHI

-105.0

-35.0

24

PSI

-70.0

0.0

25

PSI

-70.0

0.0

26

PSI

-70.0

0.0

27

PSI

-70.0

0.0

28

PSI

-70.0

0.0

39

PSI

-70.0

0.0

44

PSI

-70.0

0.0

48

PSI

-70.0

0.0

49

PSI

-70.0

0.0

51

PSI

-70.0

0.0

53

PSI

-70.0

0.0

54

PSI

-70.0

0.0

57

PSI

-70.0

0.0

58

PSI

-70.0

0.0

59

PSI

-70.0

0.0

60

PSI

-70.0

0.0

61

PSI

-70.0

0.0

62

PSI

-70.0

0.0

63

PSI

-70.0

0.0

65

PSI

-70.0

0.0

75

PSI

-70.0

0.0

79

PSI

-70.0

0.0

80

PSI

-70.0

0.0

81

PSI

-70.0

0.0

82

PSI

-70.0

0.0

83

PSI

-70.0

0.0

84

PSI

-70.0

0.0

85

PSI

-70.0

0.0

87

PSI

-70.0

0.0

88

PSI

-70.0

0.0

89

PSI

-70.0

0.0





Pseudocontact shift constraints used for solution structure calculations.



Residue #

Atom name

PCS (ppm)

Tolerance

23

HN

-0.15

0.1

24

HN

-0.21

0.1

25

HN

-0.18

0.1

26

HN

-0.33

0.3

27

HN

-0.13

0.3

29

HN

-0.23

0.3

30

HN

-0.16

0.1

31

HN

-0.37

0.3

33

HN

0.00

0.3

37

HN

1.51

0.3

39

HN

0.65

0.1

40

HN

1.2

0.1

41

HN

0.96

0.1

42

HN

0.97

0.3

43

HN

1.27

0.1

45

HN

1.07

0.3

47

HN

0.59

0.3

48

HN

1.07

0.3

49

HN

0.25

0.3

50

HN

-0.28

0.1

51

HN

-0.36

0.1

52

HN

-0.32

0.1

53

HN

-0.32

0.1

54

HN

-0.31

0.1

55

HN

-0.37

0.1

56

HN

-0.11

0.1

57

HN

-0.16

0.1

58

HN

-0.07

0.1

59

HN

0.04

0.1

60

HN

-0.13

0.1

61

HN

0.05

0.1

62

HN

0.00

0.3

63

HN

0.30

0.3

64

HN

1.11

0.1

66

HN

1.60

0.1

67

HN

1.60

0.3

68

HN

2.23

0.1

69

HN

0.00

0.3

70

HN

-0.70

0.1

71

HN

-0.56

0.1

73

HN

1.17

0.3

74

HN

1.31

0.1

75

HN

0.54

0.3

76

HN

-0.25

0.1

77

HN

-0.13

0.1

78

HN

-0.05

0.1

80

HN

0.11

0.3

81

HN

-0.25

0.1

82

HN

-0.12

0.1

83

HN

-0.27

0.1

84

HN

-0.13

0.3

85

HN

-0.64

0.1

86

HN

-0.43

0.1

87

HN

-0.42

0.1

89

HN

-0.33

0.3

90

HN

-0.37

0.3

91

HN

-0.30

0.1

92

HN

-0.08

0.1

87

HE1

-.013

0.1





















  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    VAL  22          H1        VAL  22  11.402   1.918  -9.065
    2   2H    VAL  22          H2        VAL  22  12.220   1.290  -7.745
    3   3H    VAL  22          H3        VAL  22  12.488   0.707  -9.285
    4    HA   VAL  22           HA       VAL  22  10.081   0.553  -7.689
    5    HB   VAL  22           HB       VAL  22  12.183  -1.264  -8.009
    6   1HG1  VAL  22          1HG1      VAL  22   9.490  -1.503  -6.754
    7   2HG1  VAL  22          2HG1      VAL  22  10.868  -2.604  -6.476
    8   3HG1  VAL  22          3HG1      VAL  22  11.004  -0.898  -6.027
    9   1HG2  VAL  22          1HG2      VAL  22  10.919  -2.235 -10.088
   10   2HG2  VAL  22          2HG2      VAL  22  11.301  -3.319  -8.740
   11   3HG2  VAL  22          3HG2      VAL  22   9.666  -2.711  -8.884
   12    H    ASP  23           H        ASP  23   8.863  -1.366  -9.873
   13    HA   ASP  23           HA       ASP  23   7.787   1.063 -11.264
   14   1HB   ASP  23          2HB       ASP  23   8.145  -1.676 -12.168
   15   2HB   ASP  23          3HB       ASP  23   6.431  -1.337 -11.985
   16    H    ALA  24           H        ALA  24   7.028   1.931  -9.366
   17    HA   ALA  24           HA       ALA  24   6.026   0.397  -7.202
   18   1HB   ALA  24          1HB       ALA  24   5.451   2.548  -6.230
   19   2HB   ALA  24          2HB       ALA  24   6.995   2.728  -7.081
   20   3HB   ALA  24          3HB       ALA  24   5.514   3.348  -7.810
   21    H    GLU  25           H        GLU  25   4.375   2.518  -9.506
   22    HA   GLU  25           HA       GLU  25   1.741   1.935  -8.822
   23   1HB   GLU  25          2HB       GLU  25   1.142   2.839 -11.028
   24   2HB   GLU  25          3HB       GLU  25   2.233   3.800 -10.041
   25   1HG   GLU  25          2HG       GLU  25   4.170   2.809 -11.445
   26   2HG   GLU  25          3HG       GLU  25   2.875   2.339 -12.546
   27    H    ALA  26           H        ALA  26   3.784   0.250 -11.308
   28    HA   ALA  26           HA       ALA  26   1.761  -1.494 -12.172
   29   1HB   ALA  26          1HB       ALA  26   3.429  -2.895 -13.062
   30   2HB   ALA  26          2HB       ALA  26   4.118  -1.258 -13.140
   31   3HB   ALA  26          3HB       ALA  26   4.618  -2.403 -11.859
   32    H    VAL  27           H        VAL  27   4.084  -1.897  -9.452
   33    HA   VAL  27           HA       VAL  27   3.210  -4.456  -8.579
   34    HB   VAL  27           HB       VAL  27   4.338  -2.080  -7.060
   35   1HG1  VAL  27          1HG1      VAL  27   4.193  -4.945  -6.075
   36   2HG1  VAL  27          2HG1      VAL  27   4.822  -3.516  -5.235
   37   3HG1  VAL  27          3HG1      VAL  27   3.101  -3.660  -5.506
   38   1HG2  VAL  27          1HG2      VAL  27   6.438  -2.996  -7.431
   39   2HG2  VAL  27          2HG2      VAL  27   5.803  -4.639  -7.728
   40   3HG2  VAL  27          3HG2      VAL  27   5.661  -3.394  -8.959
   41    H    VAL  28           H        VAL  28   2.163  -1.184  -7.438
   42    HA   VAL  28           HA       VAL  28   0.145  -2.122  -5.733
   43    HB   VAL  28           HB       VAL  28   0.501   0.466  -7.276
   44   1HG1  VAL  28          1HG1      VAL  28  -1.277   1.285  -5.444
   45   2HG1  VAL  28          2HG1      VAL  28  -1.741   0.704  -7.047
   46   3HG1  VAL  28          3HG1      VAL  28  -1.859  -0.365  -5.647
   47   1HG2  VAL  28          1HG2      VAL  28   1.640  -0.638  -4.912
   48   2HG2  VAL  28          2HG2      VAL  28   1.853   0.980  -5.579
   49   3HG2  VAL  28          3HG2      VAL  28   0.578   0.666  -4.384
   50    H    GLN  29           H        GLN  29  -0.110  -1.287  -9.121
   51    HA   GLN  29           HA       GLN  29  -2.813  -1.811  -9.649
   52   1HB   GLN  29          2HB       GLN  29  -0.353  -1.917 -11.372
   53   2HB   GLN  29          3HB       GLN  29  -1.978  -2.126 -12.001
   54   1HG   GLN  29          2HG       GLN  29  -1.333   0.348 -10.339
   55   2HG   GLN  29          3HG       GLN  29  -0.799   0.241 -12.016
   56   1HE2  GLN  29          1HE2      GLN  29  -3.628   0.560  -9.900
   57   2HE2  GLN  29          2HE2      GLN  29  -4.742   0.921 -11.197
   58    H    GLN  30           H        GLN  30  -0.405  -4.170  -8.753
   59    HA   GLN  30           HA       GLN  30  -2.404  -6.227  -9.510
   60   1HB   GLN  30          2HB       GLN  30  -0.271  -6.032 -11.067
   61   2HB   GLN  30          3HB       GLN  30   0.558  -6.774  -9.706
   62   1HG   GLN  30          2HG       GLN  30  -0.016  -8.601 -11.050
   63   2HG   GLN  30          3HG       GLN  30  -1.294  -8.626  -9.835
   64   1HE2  GLN  30          1HE2      GLN  30  -2.600  -9.886 -11.341
   65   2HE2  GLN  30          2HE2      GLN  30  -3.360  -9.081 -12.705
   66    H    LYS  31           H        LYS  31  -1.416  -4.702  -6.935
   67    HA   LYS  31           HA       LYS  31  -1.227  -7.167  -5.258
   68   1HB   LYS  31          2HB       LYS  31   0.626  -4.756  -4.966
   69   2HB   LYS  31          3HB       LYS  31   0.488  -6.075  -3.820
   70   1HG   LYS  31          2HG       LYS  31   1.300  -6.534  -6.711
   71   2HG   LYS  31          3HG       LYS  31   2.452  -6.164  -5.432
   72   1HD   LYS  31          2HD       LYS  31   2.111  -8.119  -4.258
   73   2HD   LYS  31          3HD       LYS  31   0.534  -8.457  -5.006
   74   1HE   LYS  31          2HE       LYS  31   1.534  -8.954  -7.147
   75   2HE   LYS  31          3HE       LYS  31   3.140  -8.441  -6.587
   76   1HZ   LYS  31          1HZ       LYS  31   1.636 -10.725  -5.497
   77   2HZ   LYS  31          2HZ       LYS  31   2.877 -10.825  -6.575
   78   3HZ   LYS  31          3HZ       LYS  31   3.155 -10.250  -5.057
   79    H    CYS  32           H        CYS  32  -1.442  -3.567  -5.096
   80    HA   CYS  32           HA       CYS  32  -2.823  -3.901  -2.527
   81   1HB   CYS  32          2HB       CYS  32  -2.550  -1.254  -3.875
   82   2HB   CYS  32          3HB       CYS  32  -2.574  -1.658  -2.174
   83    H    ILE  33           H        ILE  33  -3.514  -2.743  -5.781
   84    HA   ILE  33           HA       ILE  33  -6.162  -1.991  -5.372
   85    HB   ILE  33           HB       ILE  33  -6.488  -2.379  -7.771
   86   1HG1  ILE  33          2HG1      ILE  33  -4.286  -3.054  -8.989
   87   2HG1  ILE  33          3HG1      ILE  33  -4.030  -4.097  -7.588
   88   1HG2  ILE  33          1HG2      ILE  33  -5.326  -0.333  -7.031
   89   2HG2  ILE  33          2HG2      ILE  33  -3.765  -1.144  -7.158
   90   3HG2  ILE  33          3HG2      ILE  33  -4.744  -0.854  -8.605
   91   1HD1  ILE  33          1HD1      ILE  33  -6.369  -3.969  -9.548
   92   2HD1  ILE  33          2HD1      ILE  33  -5.085  -5.185  -9.516
   93   3HD1  ILE  33          3HD1      ILE  33  -6.281  -5.138  -8.206
   94    H    SER  34           H        SER  34  -4.827  -5.256  -5.739
   95    HA   SER  34           HA       SER  34  -6.947  -6.826  -6.302
   96   1HB   SER  34          2HB       SER  34  -4.955  -7.367  -4.077
   97   2HB   SER  34          3HB       SER  34  -5.714  -8.538  -5.175
   98    HG   SER  34           HG       SER  34  -3.545  -7.902  -5.813
   99    H    CYS  35           H        CYS  35  -6.462  -5.025  -3.289
  100    HA   CYS  35           HA       CYS  35  -9.165  -5.953  -2.359
  101   1HB   CYS  35          2HB       CYS  35  -6.920  -4.992  -0.586
  102   2HB   CYS  35          3HB       CYS  35  -8.460  -5.721  -0.098
  103    H    HIS  36           HN       HIS  36  -6.747  -3.301  -2.356
  104    HA   HIS  36           HA       HIS  36  -8.511  -1.300  -1.318
  105   1HB   HIS  36          2HB       HIS  36  -5.807  -1.254  -2.717
  106   2HB   HIS  36          3HB       HIS  36  -6.619   0.186  -2.165
  107    HD1  HIS  36           HD1      HIS  36  -7.045   0.404   0.519
  108    HD2  HIS  36           HD2      HIS  36  -4.516  -2.687  -0.759
  109    HE1  HIS  36           1HE      HIS  36  -5.765  -0.335   2.566
  110    H    GLY  37           H        GLY  37  -8.421  -2.733  -4.428
  111   1HA   GLY  37          1HA       GLY  37  -9.973  -2.400  -6.083
  112   2HA   GLY  37          2HA       GLY  37 -10.360  -0.776  -5.478
  113    H    GLY  38           H        GLY  38  -9.587  -1.672  -8.236
  114   1HA   GLY  38          1HA       GLY  38  -7.108  -0.976  -9.256
  115   2HA   GLY  38          2HA       GLY  38  -8.649  -0.539  -9.978
  116    H    ASP  39           H        ASP  39  -9.598   1.150  -7.961
  117    HA   ASP  39           HA       ASP  39  -8.297   3.611  -8.784
  118   1HB   ASP  39          2HB       ASP  39 -10.873   2.937  -7.329
  119   2HB   ASP  39          3HB       ASP  39 -10.394   4.574  -7.822
  120    H    LEU  40           H        LEU  40  -8.087   1.547  -5.888
  121    HA   LEU  40           HA       LEU  40  -7.028   1.819  -4.039
  122   1HB   LEU  40          2HB       LEU  40  -6.174   4.631  -4.765
  123   2HB   LEU  40          3HB       LEU  40  -5.375   3.523  -3.678
  124    HG   LEU  40           HG       LEU  40  -5.598   2.905  -6.670
  125   1HD1  LEU  40          1HD1      LEU  40  -3.368   4.365  -5.231
  126   2HD1  LEU  40          2HD1      LEU  40  -3.328   3.747  -6.901
  127   3HD1  LEU  40          3HD1      LEU  40  -4.466   5.031  -6.462
  128   1HD2  LEU  40          1HD2      LEU  40  -3.674   1.912  -4.532
  129   2HD2  LEU  40          2HD2      LEU  40  -5.106   1.017  -5.087
  130   3HD2  LEU  40          3HD2      LEU  40  -3.803   1.383  -6.225
  131    H    THR  41           H        THR  41  -9.766   3.000  -4.679
  132    HA   THR  41           HA       THR  41 -10.245   5.148  -2.753
  133    HB   THR  41           HB       THR  41 -12.589   4.807  -3.832
  134    HG1  THR  41           1HG      THR  41 -12.380   3.648  -5.851
  135   1HG2  THR  41          1HG2      THR  41 -11.130   6.653  -4.529
  136   2HG2  THR  41          2HG2      THR  41 -10.215   5.574  -5.594
  137   3HG2  THR  41          3HG2      THR  41 -11.915   5.936  -5.947
  138    H    GLY  42           H        GLY  42  -9.975   1.772  -2.650
  139   1HA   GLY  42          1HA       GLY  42 -10.305   0.519  -0.777
  140   2HA   GLY  42          2HA       GLY  42 -11.515   1.638  -0.126
  141    H    ALA  43           H        ALA  43 -11.281  -1.327  -1.143
  142    HA   ALA  43           HA       ALA  43 -14.027  -1.478  -2.341
  143   1HB   ALA  43          1HB       ALA  43 -12.810  -3.598  -3.557
  144   2HB   ALA  43          2HB       ALA  43 -12.991  -2.000  -4.297
  145   3HB   ALA  43          3HB       ALA  43 -11.463  -2.449  -3.528
  146    H    SER  44           H        SER  44 -11.584  -3.936  -1.544
  147    HA   SER  44           HA       SER  44 -13.414  -5.143   0.461
  148   1HB   SER  44          2HB       SER  44 -10.765  -6.175  -0.605
  149   2HB   SER  44          3HB       SER  44 -11.990  -7.068   0.308
  150    HG   SER  44           HG       SER  44 -13.432  -6.533  -1.517
  151    H    ALA  45           H        ALA  45 -11.366  -2.605   0.573
  152    HA   ALA  45           HA       ALA  45 -10.339  -3.081   3.244
  153   1HB   ALA  45          1HB       ALA  45  -8.789  -4.251   1.525
  154   2HB   ALA  45          2HB       ALA  45  -8.376  -2.623   0.941
  155   3HB   ALA  45          3HB       ALA  45  -8.036  -3.112   2.605
  156    HA   PRO  46           HA       PRO  46 -10.845   1.261   3.267
  157   1HB   PRO  46          2HB       PRO  46  -8.827   2.336   4.791
  158   2HB   PRO  46          3HB       PRO  46 -10.067   1.235   5.460
  159   1HG   PRO  46          2HG       PRO  46  -7.262   0.564   4.575
  160   2HG   PRO  46          3HG       PRO  46  -8.100   0.055   6.068
  161   1HD   PRO  46          2HD       PRO  46  -7.874  -1.449   3.805
  162   2HD   PRO  46          3HD       PRO  46  -9.280  -1.633   4.902
  163    H    ALA  47           H        ALA  47 -10.225   3.350   2.319
  164    HA   ALA  47           HA       ALA  47  -8.736   3.001  -0.117
  165   1HB   ALA  47          1HB       ALA  47  -9.373   5.269  -0.546
  166   2HB   ALA  47          2HB       ALA  47 -10.729   4.472   0.295
  167   3HB   ALA  47          3HB       ALA  47  -9.678   5.587   1.177
  168    H    ILE  48           H        ILE  48  -6.617   3.281  -0.502
  169    HA   ILE  48           HA       ILE  48  -4.944   4.762   1.495
  170    HB   ILE  48           HB       ILE  48  -3.019   3.546   0.590
  171   1HG1  ILE  48          2HG1      ILE  48  -4.929   1.603  -0.710
  172   2HG1  ILE  48          3HG1      ILE  48  -4.224   2.935  -1.631
  173   1HG2  ILE  48          1HG2      ILE  48  -3.937   2.812   2.656
  174   2HG2  ILE  48          2HG2      ILE  48  -5.302   2.006   1.870
  175   3HG2  ILE  48          3HG2      ILE  48  -3.674   1.348   1.689
  176   1HD1  ILE  48          1HD1      ILE  48  -2.179   1.996  -1.738
  177   2HD1  ILE  48          2HD1      ILE  48  -2.209   1.425  -0.068
  178   3HD1  ILE  48          3HD1      ILE  48  -3.027   0.493  -1.336
  179    H    ASP  49           H        ASP  49  -6.473   5.231  -1.426
  180    HA   ASP  49           HA       ASP  49  -4.902   6.583  -3.130
  181   1HB   ASP  49          2HB       ASP  49  -7.310   6.469  -3.298
  182   2HB   ASP  49          3HB       ASP  49  -7.517   7.469  -1.848
  183    H    LYS  50           H        LYS  50  -5.748   7.858   0.140
  184    HA   LYS  50           HA       LYS  50  -3.709  10.007  -0.222
  185   1HB   LYS  50          2HB       LYS  50  -4.958  11.308   1.395
  186   2HB   LYS  50          3HB       LYS  50  -5.876  10.995  -0.072
  187   1HG   LYS  50          2HG       LYS  50  -7.409   9.620   0.944
  188   2HG   LYS  50          3HG       LYS  50  -6.351   9.175   2.302
  189   1HD   LYS  50          2HD       LYS  50  -6.520  11.420   3.268
  190   2HD   LYS  50          3HD       LYS  50  -7.287  12.016   1.802
  191   1HE   LYS  50          2HE       LYS  50  -9.150  11.905   3.048
  192   2HE   LYS  50          3HE       LYS  50  -9.211  10.271   2.385
  193   1HZ   LYS  50          1HZ       LYS  50  -9.609  10.447   4.780
  194   2HZ   LYS  50          2HZ       LYS  50  -8.342   9.463   4.459
  195   3HZ   LYS  50          3HZ       LYS  50  -8.085  10.995   5.028
  196    H    ALA  51           H        ALA  51  -3.117   7.232   0.624
  197    HA   ALA  51           HA       ALA  51  -2.885   7.206   3.495
  198   1HB   ALA  51          1HB       ALA  51  -2.756   5.134   2.279
  199   2HB   ALA  51          2HB       ALA  51  -1.298   5.688   1.417
  200   3HB   ALA  51          3HB       ALA  51  -1.255   5.405   3.169
  201    H    GLY  52           H        GLY  52  -0.661   8.268   0.824
  202   1HA   GLY  52          1HA       GLY  52   1.617   8.828   2.312
  203   2HA   GLY  52          2HA       GLY  52   1.078   9.705   0.864
  204    H    ALA  53           H        ALA  53  -1.416  10.622   2.243
  205    HA   ALA  53           HA       ALA  53  -0.222  13.018   3.493
  206   1HB   ALA  53          1HB       ALA  53  -2.364  13.991   3.315
  207   2HB   ALA  53          2HB       ALA  53  -2.130  13.089   1.807
  208   3HB   ALA  53          3HB       ALA  53  -3.169  12.423   3.081
  209    H    ASN  54           H        ASN  54  -2.373  10.273   4.314
  210    HA   ASN  54           HA       ASN  54  -2.937  11.015   7.024
  211   1HB   ASN  54          2HB       ASN  54  -2.839   8.326   5.595
  212   2HB   ASN  54          3HB       ASN  54  -3.163   8.456   7.316
  213   1HD2  ASN  54          1HD2      ASN  54  -4.501   9.114   4.109
  214   2HD2  ASN  54          2HD2      ASN  54  -6.144   9.192   4.727
  215    H    TYR  55           H        TYR  55  -0.353   8.949   5.633
  216    HA   TYR  55           HA       TYR  55   1.086   8.899   8.244
  217   1HB   TYR  55          2HB       TYR  55   0.671   6.561   6.370
  218   2HB   TYR  55          3HB       TYR  55   1.355   6.515   7.989
  219    HD1  TYR  55           HD1      TYR  55  -1.116   5.082   6.420
  220    HD2  TYR  55           HD2      TYR  55  -0.673   7.912   9.645
  221    HE1  TYR  55           HE1      TYR  55  -3.304   4.388   7.341
  222    HE2  TYR  55           HE2      TYR  55  -2.882   7.223  10.538
  223    HH   TYR  55           HH       TYR  55  -4.812   4.580   9.083
  224    H    SER  56           H        SER  56   3.389   8.556   7.975
  225    HA   SER  56           HA       SER  56   4.407   9.713   5.486
  226   1HB   SER  56          2HB       SER  56   5.223   9.929   8.064
  227   2HB   SER  56          3HB       SER  56   6.303   8.629   7.549
  228    HG   SER  56           HG       SER  56   6.975  10.091   5.827
  229    H    GLU  57           H        GLU  57   6.364   8.623   4.403
  230    HA   GLU  57           HA       GLU  57   5.735   6.074   3.353
  231   1HB   GLU  57          2HB       GLU  57   8.015   5.951   2.569
  232   2HB   GLU  57          3HB       GLU  57   7.198   7.424   2.083
  233   1HG   GLU  57          2HG       GLU  57   9.075   7.386   4.450
  234   2HG   GLU  57          3HG       GLU  57   9.599   7.559   2.783
  235    H    GLU  58           H        GLU  58   7.834   7.005   6.086
  236    HA   GLU  58           HA       GLU  58   8.866   4.497   6.725
  237   1HB   GLU  58          2HB       GLU  58   8.077   6.805   8.563
  238   2HB   GLU  58          3HB       GLU  58   9.066   5.422   9.046
  239   1HG   GLU  58          2HG       GLU  58  10.754   5.971   7.342
  240   2HG   GLU  58          3HG       GLU  58   9.788   7.335   6.764
  241    H    GLU  59           H        GLU  59   5.627   5.817   7.538
  242    HA   GLU  59           HA       GLU  59   4.948   3.569   9.290
  243   1HB   GLU  59          2HB       GLU  59   3.438   5.930   8.130
  244   2HB   GLU  59          3HB       GLU  59   2.673   4.709   9.162
  245   1HG   GLU  59          2HG       GLU  59   5.088   6.359  10.044
  246   2HG   GLU  59          3HG       GLU  59   3.405   6.821  10.349
  247    H    ILE  60           H        ILE  60   4.103   4.753   5.997
  248    HA   ILE  60           HA       ILE  60   2.150   2.741   5.507
  249    HB   ILE  60           HB       ILE  60   3.802   4.342   3.551
  250   1HG1  ILE  60          2HG1      ILE  60   0.992   4.684   4.712
  251   2HG1  ILE  60          3HG1      ILE  60   2.398   5.616   5.157
  252   1HG2  ILE  60          1HG2      ILE  60   2.441   2.129   2.735
  253   2HG2  ILE  60          2HG2      ILE  60   1.088   3.240   2.841
  254   3HG2  ILE  60          3HG2      ILE  60   2.456   3.625   1.798
  255   1HD1  ILE  60          1HD1      ILE  60   1.165   6.903   3.596
  256   2HD1  ILE  60          2HD1      ILE  60   2.623   6.365   2.748
  257   3HD1  ILE  60          3HD1      ILE  60   1.054   5.567   2.432
  258    H    LEU  61           H        LEU  61   5.620   2.991   4.741
  259    HA   LEU  61           HA       LEU  61   5.972   0.576   3.370
  260   1HB   LEU  61          2HB       LEU  61   7.660   2.390   3.505
  261   2HB   LEU  61          3HB       LEU  61   7.896   2.056   5.226
  262    HG   LEU  61           HG       LEU  61   8.845  -0.128   4.722
  263   1HD1  LEU  61          1HD1      LEU  61   8.071   0.549   1.865
  264   2HD1  LEU  61          2HD1      LEU  61   9.275  -0.700   2.257
  265   3HD1  LEU  61          3HD1      LEU  61   7.600  -0.885   2.791
  266   1HD2  LEU  61          1HD2      LEU  61   9.989   2.057   2.930
  267   2HD2  LEU  61          2HD2      LEU  61  10.319   1.849   4.662
  268   3HD2  LEU  61          3HD2      LEU  61  10.861   0.619   3.505
  269    H    ASP  62           H        ASP  62   6.310   1.316   6.893
  270    HA   ASP  62           HA       ASP  62   6.814  -1.292   7.740
  271   1HB   ASP  62          2HB       ASP  62   6.863   0.862   9.100
  272   2HB   ASP  62          3HB       ASP  62   5.110   0.684   9.304
  273    H    ILE  63           H        ILE  63   3.578   0.311   7.348
  274    HA   ILE  63           HA       ILE  63   2.040  -1.971   8.012
  275    HB   ILE  63           HB       ILE  63   1.460   0.408   6.224
  276   1HG1  ILE  63          2HG1      ILE  63   0.192  -0.215   8.862
  277   2HG1  ILE  63          3HG1      ILE  63   1.780   0.567   8.778
  278   1HG2  ILE  63          1HG2      ILE  63  -0.333  -1.929   6.981
  279   2HG2  ILE  63          2HG2      ILE  63  -0.983  -0.357   6.528
  280   3HG2  ILE  63          3HG2      ILE  63  -0.025  -1.268   5.359
  281   1HD1  ILE  63          1HD1      ILE  63   0.974   2.477   7.668
  282   2HD1  ILE  63          2HD1      ILE  63  -0.563   1.711   7.249
  283   3HD1  ILE  63          3HD1      ILE  63  -0.220   2.142   8.934
  284    H    ILE  64           H        ILE  64   3.396  -1.075   4.773
  285    HA   ILE  64           HA       ILE  64   2.081  -3.273   3.456
  286    HB   ILE  64           HB       ILE  64   4.611  -1.762   2.731
  287   1HG1  ILE  64          2HG1      ILE  64   1.884  -1.521   1.434
  288   2HG1  ILE  64          3HG1      ILE  64   2.199  -0.605   2.894
  289   1HG2  ILE  64          1HG2      ILE  64   2.883  -3.708   1.141
  290   2HG2  ILE  64          2HG2      ILE  64   4.102  -2.649   0.406
  291   3HG2  ILE  64          3HG2      ILE  64   4.597  -3.910   1.542
  292   1HD1  ILE  64          1HD1      ILE  64   2.690   0.768   0.926
  293   2HD1  ILE  64          2HD1      ILE  64   4.128   0.491   1.910
  294   3HD1  ILE  64          3HD1      ILE  64   3.915  -0.395   0.389
  295    H    LEU  65           H        LEU  65   5.251  -2.938   5.026
  296    HA   LEU  65           HA       LEU  65   6.133  -5.612   4.449
  297   1HB   LEU  65          2HB       LEU  65   7.039  -3.474   6.401
  298   2HB   LEU  65          3HB       LEU  65   7.856  -5.018   6.217
  299    HG   LEU  65           HG       LEU  65   7.460  -2.973   3.973
  300   1HD1  LEU  65          1HD1      LEU  65   9.824  -2.466   4.234
  301   2HD1  LEU  65          2HD1      LEU  65   9.004  -2.218   5.786
  302   3HD1  LEU  65          3HD1      LEU  65   9.984  -3.674   5.525
  303   1HD2  LEU  65          1HD2      LEU  65   9.265  -4.356   2.838
  304   2HD2  LEU  65          2HD2      LEU  65   8.974  -5.611   4.057
  305   3HD2  LEU  65          3HD2      LEU  65   7.682  -5.129   2.930
  306    H    ASN  66           H        ASN  66   4.027  -4.366   7.043
  307    HA   ASN  66           HA       ASN  66   4.460  -6.910   8.602
  308   1HB   ASN  66          2HB       ASN  66   4.231  -4.073   9.676
  309   2HB   ASN  66          3HB       ASN  66   4.309  -5.544  10.649
  310   1HD2  ASN  66          1HD2      ASN  66   6.143  -3.086  10.283
  311   2HD2  ASN  66          2HD2      ASN  66   7.731  -3.792  10.076
  312    H    GLY  67           H        GLY  67   2.583  -5.918   6.694
  313   1HA   GLY  67          1HA       GLY  67   0.366  -5.233   6.245
  314   2HA   GLY  67          2HA       GLY  67   0.044  -6.731   6.966
  315    H    GLN  68           H        GLN  68  -1.917  -6.057   8.113
  316    HA   GLN  68           HA       GLN  68  -1.918  -4.580  10.497
  317   1HB   GLN  68          2HB       GLN  68  -1.457  -2.535   9.343
  318   2HB   GLN  68          3HB       GLN  68  -2.593  -2.881   8.051
  319   1HG   GLN  68          2HG       GLN  68  -4.289  -1.909   9.195
  320   2HG   GLN  68          3HG       GLN  68  -3.912  -2.743  10.708
  321   1HE2  GLN  68          1HE2      GLN  68  -4.375   0.268   9.483
  322   2HE2  GLN  68          2HE2      GLN  68  -3.247   1.122  10.522
  323    H    GLY  69           H        GLY  69  -4.003  -4.974  11.527
  324   1HA   GLY  69          1HA       GLY  69  -5.629  -6.551  11.819
  325   2HA   GLY  69          2HA       GLY  69  -6.463  -5.397  10.801
  326    H    GLY  70           H        GLY  70  -7.334  -6.196   8.859
  327   1HA   GLY  70          1HA       GLY  70  -7.208  -9.044   8.371
  328   2HA   GLY  70          2HA       GLY  70  -7.995  -7.825   7.362
  329    H    MET  71           H        MET  71  -5.299  -6.363   7.223
  330    HA   MET  71           HA       MET  71  -4.512  -7.386   4.683
  331   1HB   MET  71          1HB       MET  71  -4.474  -4.992   5.513
  332   2HB   MET  71          2HB       MET  71  -3.043  -5.376   6.424
  333   1HG   MET  71          1HG       MET  71  -1.797  -6.018   4.572
  334   2HG   MET  71          2HG       MET  71  -3.130  -5.846   3.447
  335   1HE   MET  71          1HE       MET  71   0.006  -4.631   3.985
  336   2HE   MET  71          2HE       MET  71  -0.872  -4.746   2.454
  337   3HE   MET  71          3HE       MET  71  -0.186  -3.177   2.974
  338    HA   PRO  72           HA       PRO  72  -1.465 -10.182   6.624
  339   1HB   PRO  72          2HB       PRO  72  -0.611 -11.471   4.342
  340   2HB   PRO  72          3HB       PRO  72  -2.069 -11.855   5.297
  341   1HG   PRO  72          2HG       PRO  72  -1.808 -10.359   2.685
  342   2HG   PRO  72          3HG       PRO  72  -3.149 -11.412   3.209
  343   1HD   PRO  72          2HD       PRO  72  -3.080  -8.576   3.311
  344   2HD   PRO  72          3HD       PRO  72  -4.231  -9.591   4.186
  345    H    GLY  73           H        GLY  73   0.457  -9.477   7.162
  346   1HA   GLY  73          1HA       GLY  73   1.795  -7.495   5.753
  347   2HA   GLY  73          2HA       GLY  73   2.521  -8.425   7.119
  348    H    GLY  74           H        GLY  74   3.432  -7.145   4.574
  349   1HA   GLY  74          1HA       GLY  74   5.333  -7.663   3.272
  350   2HA   GLY  74          2HA       GLY  74   5.279  -9.335   3.855
  351    H    ILE  75           H        ILE  75   2.664  -7.487   2.351
  352    HA   ILE  75           HA       ILE  75   1.978  -9.471   0.409
  353    HB   ILE  75           HB       ILE  75   1.092  -6.798   1.353
  354   1HG1  ILE  75          2HG1      ILE  75  -0.524  -8.911  -0.056
  355   2HG1  ILE  75          3HG1      ILE  75   0.067  -9.140   1.598
  356   1HG2  ILE  75          1HG2      ILE  75   0.631  -7.544  -1.625
  357   2HG2  ILE  75          2HG2      ILE  75  -0.072  -6.162  -0.786
  358   3HG2  ILE  75          3HG2      ILE  75   1.639  -6.189  -1.114
  359   1HD1  ILE  75          1HD1      ILE  75  -1.429  -6.637   0.835
  360   2HD1  ILE  75          2HD1      ILE  75  -2.261  -8.108   1.341
  361   3HD1  ILE  75          3HD1      ILE  75  -1.125  -7.281   2.441
  362    H    ALA  76           H        ALA  76   3.741  -6.397   0.158
  363    HA   ALA  76           HA       ALA  76   5.303  -7.416  -2.160
  364   1HB   ALA  76          1HB       ALA  76   4.412  -5.219  -2.611
  365   2HB   ALA  76          2HB       ALA  76   4.790  -4.649  -0.971
  366   3HB   ALA  76          3HB       ALA  76   6.103  -4.971  -2.107
  367    H    LYS  77           H        LYS  77   7.615  -7.454  -1.920
  368    HA   LYS  77           HA       LYS  77   8.793  -6.710   0.666
  369   1HB   LYS  77          2HB       LYS  77   9.050  -9.522  -0.517
  370   2HB   LYS  77          3HB       LYS  77  10.135  -8.827   0.689
  371   1HG   LYS  77          2HG       LYS  77   7.909  -8.383   2.055
  372   2HG   LYS  77          3HG       LYS  77   7.258  -9.660   1.010
  373   1HD   LYS  77          2HD       LYS  77   9.180 -11.129   1.690
  374   2HD   LYS  77          3HD       LYS  77   9.784  -9.828   2.742
  375   1HE   LYS  77          2HE       LYS  77   7.742  -9.902   4.105
  376   2HE   LYS  77          3HE       LYS  77   7.037 -11.131   3.037
  377   1HZ   LYS  77          1HZ       LYS  77   9.456 -11.480   4.690
  378   2HZ   LYS  77          2HZ       LYS  77   7.967 -12.098   5.008
  379   3HZ   LYS  77          3HZ       LYS  77   8.805 -12.620   3.694
  380    H    GLY  78           H        GLY  78  11.119  -6.539   0.542
  381   1HA   GLY  78          1HA       GLY  78  13.095  -5.975  -0.528
  382   2HA   GLY  78          2HA       GLY  78  12.436  -6.556  -2.069
  383    H    ALA  79           H        ALA  79  13.477  -4.520  -2.848
  384    HA   ALA  79           HA       ALA  79  12.778  -1.941  -2.100
  385   1HB   ALA  79          1HB       ALA  79  13.829  -1.219  -4.027
  386   2HB   ALA  79          2HB       ALA  79  14.547  -2.827  -3.836
  387   3HB   ALA  79          3HB       ALA  79  13.241  -2.570  -5.015
  388    H    GLU  80           H        GLU  80  10.881  -4.254  -3.889
  389    HA   GLU  80           HA       GLU  80   8.896  -2.855  -5.199
  390   1HB   GLU  80          2HB       GLU  80   9.170  -5.329  -4.989
  391   2HB   GLU  80          3HB       GLU  80   8.527  -5.232  -3.338
  392   1HG   GLU  80          2HG       GLU  80   6.431  -4.369  -4.154
  393   2HG   GLU  80          3HG       GLU  80   7.085  -4.252  -5.791
  394    H    ALA  81           H        ALA  81   8.957  -3.677  -1.697
  395    HA   ALA  81           HA       ALA  81   6.489  -2.358  -1.126
  396   1HB   ALA  81          1HB       ALA  81   6.866  -2.919   1.114
  397   2HB   ALA  81          2HB       ALA  81   7.737  -4.187   0.234
  398   3HB   ALA  81          3HB       ALA  81   8.631  -2.835   0.960
  399    H    GLU  82           H        GLU  82   9.892  -1.361  -0.747
  400    HA   GLU  82           HA       GLU  82   9.570   1.224   0.356
  401   1HB   GLU  82          2HB       GLU  82  11.657  -0.176  -1.285
  402   2HB   GLU  82          3HB       GLU  82  11.685   1.576  -1.318
  403   1HG   GLU  82          2HG       GLU  82  11.721   1.620   1.174
  404   2HG   GLU  82          3HG       GLU  82  11.860  -0.152   1.172
  405    H    ALA  83           H        ALA  83   9.908   0.399  -3.161
  406    HA   ALA  83           HA       ALA  83   9.411   2.966  -4.119
  407   1HB   ALA  83          1HB       ALA  83   8.773   1.782  -6.210
  408   2HB   ALA  83          2HB       ALA  83  10.266   1.174  -5.469
  409   3HB   ALA  83          3HB       ALA  83   8.746   0.248  -5.310
  410    H    VAL  84           H        VAL  84   7.017   0.325  -3.478
  411    HA   VAL  84           HA       VAL  84   4.716   1.777  -4.270
  412    HB   VAL  84           HB       VAL  84   5.058  -0.390  -2.166
  413   1HG1  VAL  84          1HG1      VAL  84   2.613   1.044  -3.249
  414   2HG1  VAL  84          2HG1      VAL  84   2.524  -0.588  -2.571
  415   3HG1  VAL  84          3HG1      VAL  84   3.054   0.776  -1.560
  416   1HG2  VAL  84          1HG2      VAL  84   5.512  -1.036  -4.569
  417   2HG2  VAL  84          2HG2      VAL  84   4.072  -1.808  -3.886
  418   3HG2  VAL  84          3HG2      VAL  84   3.917  -0.430  -4.998
  419    H    ALA  85           H        ALA  85   5.972   1.440  -0.922
  420    HA   ALA  85           HA       ALA  85   4.281   3.225   0.345
  421   1HB   ALA  85          1HB       ALA  85   5.996   3.460   2.061
  422   2HB   ALA  85          2HB       ALA  85   5.955   1.782   1.470
  423   3HB   ALA  85          3HB       ALA  85   7.250   2.875   0.953
  424    H    ALA  86           H        ALA  86   7.427   4.034  -1.168
  425    HA   ALA  86           HA       ALA  86   7.364   6.803  -0.446
  426   1HB   ALA  86          1HB       ALA  86   9.252   7.012  -2.001
  427   2HB   ALA  86          2HB       ALA  86   9.427   5.574  -0.976
  428   3HB   ALA  86          3HB       ALA  86   8.907   5.398  -2.666
  429    H    TRP  87           H        TRP  87   6.468   5.075  -3.456
  430    HA   TRP  87           HA       TRP  87   5.676   7.326  -5.019
  431   1HB   TRP  87          2HB       TRP  87   6.026   5.128  -5.939
  432   2HB   TRP  87          3HB       TRP  87   4.802   4.430  -4.884
  433    HD1  TRP  87           HD1      TRP  87   5.069   6.580  -8.013
  434    HE1  TRP  87           HE1      TRP  87   3.022   6.074  -9.498
  435    HE3  TRP  87           HE3      TRP  87   2.463   3.722  -4.744
  436    HZ2  TRP  87           HZ2      TRP  87   0.370   4.892  -9.096
  437    HZ3  TRP  87           HZ3      TRP  87   0.159   2.967  -5.253
  438    HH2  TRP  87           HH2      TRP  87  -0.850   3.452  -7.480
  439    H    LEU  88           H        LEU  88   3.853   5.221  -2.759
  440    HA   LEU  88           HA       LEU  88   1.499   6.809  -2.838
  441   1HB   LEU  88          2HB       LEU  88   2.468   4.630  -1.048
  442   2HB   LEU  88          3HB       LEU  88   1.341   5.760  -0.323
  443    HG   LEU  88           HG       LEU  88   0.280   5.137  -2.951
  444   1HD1  LEU  88          1HD1      LEU  88   1.665   3.151  -2.831
  445   2HD1  LEU  88          2HD1      LEU  88   0.924   2.712  -1.276
  446   3HD1  LEU  88          3HD1      LEU  88  -0.075   2.790  -2.761
  447   1HD2  LEU  88          1HD2      LEU  88  -0.661   4.253  -0.209
  448   2HD2  LEU  88          2HD2      LEU  88  -0.975   5.861  -0.926
  449   3HD2  LEU  88          3HD2      LEU  88  -1.627   4.401  -1.693
  450    H    ALA  89           H        ALA  89   4.389   7.223  -0.772
  451    HA   ALA  89           HA       ALA  89   3.358   9.211   0.903
  452   1HB   ALA  89          1HB       ALA  89   5.598   8.165   0.971
  453   2HB   ALA  89          2HB       ALA  89   6.148   9.321  -0.264
  454   3HB   ALA  89          3HB       ALA  89   5.569   9.907   1.303
  455    H    GLU  90           H        GLU  90   4.557   9.504  -2.441
  456    HA   GLU  90           HA       GLU  90   3.919  12.319  -2.716
  457   1HB   GLU  90          2HB       GLU  90   4.633  10.076  -4.599
  458   2HB   GLU  90          3HB       GLU  90   3.967  11.574  -5.245
  459   1HG   GLU  90          2HG       GLU  90   6.206  11.849  -3.249
  460   2HG   GLU  90          3HG       GLU  90   6.602  11.219  -4.850
  461    H    LYS  91           H        LYS  91   1.941   9.318  -3.137
  462    HA   LYS  91           HA       LYS  91  -0.189  10.851  -4.462
  463   1HB   LYS  91          2HB       LYS  91  -0.123   7.984  -3.497
  464   2HB   LYS  91          3HB       LYS  91  -1.453   8.722  -4.332
  465   1HG   LYS  91          2HG       LYS  91   0.431   9.411  -6.130
  466   2HG   LYS  91          3HG       LYS  91   1.328   8.119  -5.354
  467   1HD   LYS  91          2HD       LYS  91   0.274   7.065  -7.162
  468   2HD   LYS  91          3HD       LYS  91  -0.666   6.591  -5.748
  469   1HE   LYS  91          2HE       LYS  91  -2.268   7.099  -7.434
  470   2HE   LYS  91          3HE       LYS  91  -2.304   8.503  -6.368
  471   1HZ   LYS  91          1HZ       LYS  91  -0.815   9.603  -7.956
  472   2HZ   LYS  91          2HZ       LYS  91  -0.905   8.296  -8.954
  473   3HZ   LYS  91          3HZ       LYS  91  -2.253   9.178  -8.626
  474    H    LYS  92           H        LYS  92  -1.434  12.217  -3.384
  475    HA   LYS  92           HA       LYS  92  -2.212  11.731  -0.560
  476   1HB   LYS  92          2HB       LYS  92  -1.338  14.304  -1.926
  477   2HB   LYS  92          3HB       LYS  92  -1.992  14.196  -0.287
  478   1HG   LYS  92          2HG       LYS  92  -0.050  12.937   0.483
  479   2HG   LYS  92          3HG       LYS  92   0.551  12.752  -1.169
  480   1HD   LYS  92          2HD       LYS  92   0.749  15.206  -1.398
  481   2HD   LYS  92          3HD       LYS  92   0.264  15.401   0.306
  482   1HE   LYS  92          2HE       LYS  92   2.237  14.094   1.035
  483   2HE   LYS  92          3HE       LYS  92   2.637  13.721  -0.653
  484   1HZ   LYS  92          1HZ       LYS  92   2.702  16.423   0.468
  485   2HZ   LYS  92          2HZ       LYS  92   4.004  15.447   0.194
  486   3HZ   LYS  92          3HZ       LYS  92   3.103  15.971  -1.072
  487    HHA  HEC  93           HHA      HEC  93  -4.921  -0.661   6.431
  488    HHB  HEC  93           HHB      HEC  93  -0.554   0.723   1.965
  489    HHC  HEC  93           HHC      HEC  93  -1.904  -4.920  -0.915
  490    HHD  HEC  93           HHD      HEC  93  -6.866  -5.748   3.050
  491   1HMA  HEC  93          1HMA      HEC  93  -1.395   2.983   4.917
  492   2HMA  HEC  93          2HMA      HEC  93  -0.074   1.885   4.495
  493   3HMA  HEC  93          3HMA      HEC  93  -1.055   2.677   3.228
  494   1HAA  HEC  93          1HAA      HEC  93  -2.605   2.310   6.590
  495   2HAA  HEC  93          2HAA      HEC  93  -3.194   0.810   7.256
  496   1HBA  HEC  93          1HBA      HEC  93  -5.392   1.496   5.790
  497   2HBA  HEC  93          2HBA      HEC  93  -4.707   3.096   6.011
  498   1HMB  HEC  93          1HMB      HEC  93   0.441   0.741   0.098
  499   2HMB  HEC  93          2HMB      HEC  93   1.432  -0.518  -0.614
  500   3HMB  HEC  93          3HMB      HEC  93   0.065   0.174  -1.511
  501    HAB  HEC  93           HAB      HEC  93  -0.422  -4.010  -2.038
  502   1HBB  HEC  93          1HBB      HEC  93   1.898  -3.794  -2.493
  503   2HBB  HEC  93          2HBB      HEC  93   2.066  -2.430  -1.382
  504   3HBB  HEC  93          3HBB      HEC  93   1.644  -4.017  -0.749
  505   1HMC  HEC  93          1HMC      HEC  93  -3.989  -8.002  -0.903
  506   2HMC  HEC  93          2HMC      HEC  93  -4.292  -6.578  -1.913
  507   3HMC  HEC  93          3HMC      HEC  93  -2.665  -6.919  -1.288
  508    HAC  HEC  93           HAC      HEC  93  -7.098  -7.110   1.457
  509   1HBC  HEC  93          1HBC      HEC  93  -6.660  -9.422   1.287
  510   2HBC  HEC  93          2HBC      HEC  93  -5.056  -9.170   0.587
  511   3HBC  HEC  93          3HBC      HEC  93  -5.374  -8.699   2.267
  512   1HMD  HEC  93          1HMD      HEC  93  -7.651  -5.678   5.835
  513   2HMD  HEC  93          2HMD      HEC  93  -8.755  -4.302   5.981
  514   3HMD  HEC  93          3HMD      HEC  93  -8.575  -5.109   4.426
  515   1HAD  HEC  93          1HAD      HEC  93  -8.088  -2.442   7.075
  516   2HAD  HEC  93          2HAD      HEC  93  -6.680  -1.461   7.435
  517   1HBD  HEC  93          1HBD      HEC  93  -5.481  -3.348   8.290
  518   2HBD  HEC  93          2HBD      HEC  93  -6.685  -4.472   7.729
  Start of MODEL    2
    1   1H    VAL  22          H1        VAL  22  11.712  -0.586 -10.732
    2   2H    VAL  22          H2        VAL  22  11.767  -0.328  -9.114
    3   3H    VAL  22          H3        VAL  22  12.429  -1.720  -9.750
    4    HA   VAL  22           HA       VAL  22  10.213  -2.381 -10.472
    5    HB   VAL  22           HB       VAL  22  10.676  -1.787  -7.523
    6   1HG1  VAL  22          1HG1      VAL  22   8.332  -1.844  -7.510
    7   2HG1  VAL  22          2HG1      VAL  22   8.244  -2.999  -8.868
    8   3HG1  VAL  22          3HG1      VAL  22   8.770  -3.553  -7.286
    9   1HG2  VAL  22          1HG2      VAL  22  11.156  -4.086  -7.311
   10   2HG2  VAL  22          2HG2      VAL  22  10.437  -4.493  -8.877
   11   3HG2  VAL  22          3HG2      VAL  22  11.994  -3.640  -8.812
   12    H    ASP  23           H        ASP  23   8.269  -1.602 -11.137
   13    HA   ASP  23           HA       ASP  23   7.794   1.239 -10.935
   14   1HB   ASP  23          2HB       ASP  23   6.523  -1.088 -12.400
   15   2HB   ASP  23          3HB       ASP  23   5.802   0.531 -12.396
   16    H    ALA  24           H        ALA  24   7.035   1.954  -9.055
   17    HA   ALA  24           HA       ALA  24   5.659   0.654  -7.057
   18   1HB   ALA  24          1HB       ALA  24   6.620   2.919  -6.865
   19   2HB   ALA  24          2HB       ALA  24   5.350   3.562  -7.928
   20   3HB   ALA  24          3HB       ALA  24   4.922   2.888  -6.345
   21    H    GLU  25           H        GLU  25   4.149   2.591  -9.699
   22    HA   GLU  25           HA       GLU  25   1.471   2.052  -9.077
   23   1HB   GLU  25          2HB       GLU  25   1.139   2.419 -11.598
   24   2HB   GLU  25          3HB       GLU  25   1.750   3.751 -10.618
   25   1HG   GLU  25          2HG       GLU  25   3.947   3.567 -11.456
   26   2HG   GLU  25          3HG       GLU  25   3.660   1.948 -12.122
   27    H    ALA  26           H        ALA  26   3.739   0.131 -11.110
   28    HA   ALA  26           HA       ALA  26   1.806  -1.746 -12.028
   29   1HB   ALA  26          1HB       ALA  26   4.771  -2.237 -11.601
   30   2HB   ALA  26          2HB       ALA  26   3.675  -3.127 -12.662
   31   3HB   ALA  26          3HB       ALA  26   4.069  -1.436 -13.033
   32    H    VAL  27           H        VAL  27   4.017  -1.738  -9.196
   33    HA   VAL  27           HA       VAL  27   3.233  -4.298  -8.186
   34    HB   VAL  27           HB       VAL  27   4.236  -1.811  -6.732
   35   1HG1  VAL  27          1HG1      VAL  27   3.719  -4.642  -5.761
   36   2HG1  VAL  27          2HG1      VAL  27   4.707  -3.484  -4.876
   37   3HG1  VAL  27          3HG1      VAL  27   2.986  -3.173  -5.110
   38   1HG2  VAL  27          1HG2      VAL  27   5.821  -2.853  -8.337
   39   2HG2  VAL  27          2HG2      VAL  27   6.322  -3.095  -6.657
   40   3HG2  VAL  27          3HG2      VAL  27   5.558  -4.426  -7.565
   41    H    VAL  28           H        VAL  28   2.007  -0.997  -7.374
   42    HA   VAL  28           HA       VAL  28   0.001  -1.900  -5.646
   43    HB   VAL  28           HB       VAL  28   0.128   0.592  -7.382
   44   1HG1  VAL  28          1HG1      VAL  28  -1.554   1.600  -5.995
   45   2HG1  VAL  28          2HG1      VAL  28  -2.234   0.130  -6.703
   46   3HG1  VAL  28          3HG1      VAL  28  -1.704   0.153  -5.003
   47   1HG2  VAL  28          1HG2      VAL  28   1.067  -0.209  -4.621
   48   2HG2  VAL  28          2HG2      VAL  28   1.844   0.839  -5.814
   49   3HG2  VAL  28          3HG2      VAL  28   0.509   1.441  -4.843
   50    H    GLN  29           H        GLN  29  -0.194  -1.432  -9.127
   51    HA   GLN  29           HA       GLN  29  -2.806  -2.294  -9.639
   52   1HB   GLN  29          2HB       GLN  29  -0.273  -2.354 -11.253
   53   2HB   GLN  29          3HB       GLN  29  -1.785  -2.989 -11.885
   54   1HG   GLN  29          2HG       GLN  29  -1.576  -0.152 -10.766
   55   2HG   GLN  29          3HG       GLN  29  -1.171  -0.550 -12.435
   56   1HE2  GLN  29          1HE2      GLN  29  -3.844  -0.127 -10.152
   57   2HE2  GLN  29          2HE2      GLN  29  -5.094  -0.306 -11.359
   58    H    GLN  30           H        GLN  30  -0.094  -4.374  -8.651
   59    HA   GLN  30           HA       GLN  30  -2.058  -6.568  -8.686
   60   1HB   GLN  30          2HB       GLN  30   0.635  -6.793 -10.102
   61   2HB   GLN  30          3HB       GLN  30  -0.342  -8.175  -9.571
   62   1HG   GLN  30          2HG       GLN  30  -2.287  -7.090 -10.862
   63   2HG   GLN  30          3HG       GLN  30  -1.026  -6.131 -11.664
   64   1HE2  GLN  30          1HE2      GLN  30  -2.035  -9.496 -10.833
   65   2HE2  GLN  30          2HE2      GLN  30  -1.321 -10.241 -12.255
   66    H    LYS  31           H        LYS  31  -1.651  -5.427  -6.517
   67    HA   LYS  31           HA       LYS  31  -0.851  -7.528  -4.834
   68   1HB   LYS  31          2HB       LYS  31   1.233  -5.408  -5.235
   69   2HB   LYS  31          3HB       LYS  31   0.930  -5.895  -3.584
   70   1HG   LYS  31          2HG       LYS  31   2.156  -7.741  -3.770
   71   2HG   LYS  31          3HG       LYS  31   1.178  -8.309  -5.120
   72   1HD   LYS  31          2HD       LYS  31   2.623  -6.571  -6.525
   73   2HD   LYS  31          3HD       LYS  31   3.759  -6.726  -5.170
   74   1HE   LYS  31          2HE       LYS  31   2.638  -9.079  -6.768
   75   2HE   LYS  31          3HE       LYS  31   4.133  -8.231  -7.183
   76   1HZ   LYS  31          1HZ       LYS  31   5.081  -8.796  -5.131
   77   2HZ   LYS  31          2HZ       LYS  31   3.720  -9.522  -4.571
   78   3HZ   LYS  31          3HZ       LYS  31   4.557 -10.180  -5.842
   79    H    CYS  32           H        CYS  32  -1.505  -4.002  -5.155
   80    HA   CYS  32           HA       CYS  32  -2.766  -4.095  -2.467
   81   1HB   CYS  32          2HB       CYS  32  -2.352  -1.660  -4.120
   82   2HB   CYS  32          3HB       CYS  32  -2.530  -1.794  -2.369
   83    H    ILE  33           H        ILE  33  -3.460  -3.038  -5.785
   84    HA   ILE  33           HA       ILE  33  -6.067  -2.226  -5.258
   85    HB   ILE  33           HB       ILE  33  -6.497  -2.414  -7.621
   86   1HG1  ILE  33          2HG1      ILE  33  -4.708  -3.072  -9.183
   87   2HG1  ILE  33          3HG1      ILE  33  -3.946  -4.009  -7.869
   88   1HG2  ILE  33          1HG2      ILE  33  -4.581  -0.861  -6.372
   89   2HG2  ILE  33          2HG2      ILE  33  -3.719  -1.436  -7.792
   90   3HG2  ILE  33          3HG2      ILE  33  -5.237  -0.580  -7.998
   91   1HD1  ILE  33          1HD1      ILE  33  -5.515  -5.055  -9.700
   92   2HD1  ILE  33          2HD1      ILE  33  -5.634  -5.643  -8.046
   93   3HD1  ILE  33          3HD1      ILE  33  -6.835  -4.474  -8.668
   94    H    SER  34           H        SER  34  -4.905  -5.498  -5.647
   95    HA   SER  34           HA       SER  34  -7.056  -7.057  -6.143
   96   1HB   SER  34          2HB       SER  34  -5.093  -7.405  -3.840
   97   2HB   SER  34          3HB       SER  34  -5.914  -8.691  -4.744
   98    HG   SER  34           HG       SER  34  -4.761  -7.984  -6.601
   99    H    CYS  35           H        CYS  35  -6.519  -5.132  -3.194
  100    HA   CYS  35           HA       CYS  35  -9.283  -5.867  -2.288
  101   1HB   CYS  35          2HB       CYS  35  -7.037  -4.978  -0.499
  102   2HB   CYS  35          3HB       CYS  35  -8.610  -5.660  -0.038
  103    H    HIS  36           HN       HIS  36  -6.739  -3.327  -2.396
  104    HA   HIS  36           HA       HIS  36  -8.475  -1.253  -1.403
  105   1HB   HIS  36          2HB       HIS  36  -5.733  -1.314  -2.715
  106   2HB   HIS  36          3HB       HIS  36  -6.519   0.172  -2.217
  107    HD1  HIS  36           HD1      HIS  36  -7.237   0.249   0.505
  108    HD2  HIS  36           HD2      HIS  36  -4.408  -2.589  -0.754
  109    HE1  HIS  36           1HE      HIS  36  -6.035  -0.517   2.594
  110    H    GLY  37           H        GLY  37  -8.427  -2.752  -4.463
  111   1HA   GLY  37          1HA       GLY  37  -9.994  -2.371  -6.102
  112   2HA   GLY  37          2HA       GLY  37 -10.268  -0.708  -5.538
  113    H    GLY  38           H        GLY  38  -9.637  -1.693  -8.269
  114   1HA   GLY  38          1HA       GLY  38  -7.134  -1.238  -9.342
  115   2HA   GLY  38          2HA       GLY  38  -8.643  -0.702 -10.066
  116    H    ASP  39           H        ASP  39  -9.415   1.150  -8.066
  117    HA   ASP  39           HA       ASP  39  -7.789   3.427  -8.956
  118   1HB   ASP  39          2HB       ASP  39 -10.546   3.230  -7.711
  119   2HB   ASP  39          3HB       ASP  39  -9.801   4.702  -8.360
  120    H    LEU  40           H        LEU  40  -7.873   1.471  -6.035
  121    HA   LEU  40           HA       LEU  40  -6.864   1.765  -4.152
  122   1HB   LEU  40          2HB       LEU  40  -5.932   4.563  -4.683
  123   2HB   LEU  40          3HB       LEU  40  -5.143   3.251  -3.824
  124    HG   LEU  40           HG       LEU  40  -5.359   3.562  -6.868
  125   1HD1  LEU  40          1HD1      LEU  40  -3.105   3.820  -4.882
  126   2HD1  LEU  40          2HD1      LEU  40  -2.856   3.569  -6.628
  127   3HD1  LEU  40          3HD1      LEU  40  -3.779   4.970  -6.075
  128   1HD2  LEU  40          1HD2      LEU  40  -4.173   1.263  -5.285
  129   2HD2  LEU  40          2HD2      LEU  40  -5.552   1.201  -6.405
  130   3HD2  LEU  40          3HD2      LEU  40  -3.961   1.576  -7.035
  131    H    THR  41           H        THR  41  -9.580   2.919  -4.887
  132    HA   THR  41           HA       THR  41 -10.106   5.147  -3.059
  133    HB   THR  41           HB       THR  41 -12.402   4.785  -4.256
  134    HG1  THR  41           1HG      THR  41 -12.130   3.542  -6.195
  135   1HG2  THR  41          1HG2      THR  41  -9.930   5.479  -5.909
  136   2HG2  THR  41          2HG2      THR  41 -11.601   5.836  -6.372
  137   3HG2  THR  41          3HG2      THR  41 -10.893   6.602  -4.937
  138    H    GLY  42           H        GLY  42  -9.865   1.825  -2.846
  139   1HA   GLY  42          1HA       GLY  42 -10.300   0.564  -0.961
  140   2HA   GLY  42          2HA       GLY  42 -11.579   1.668  -0.431
  141    H    ALA  43           H        ALA  43 -11.453  -1.285  -1.086
  142    HA   ALA  43           HA       ALA  43 -14.000  -1.403  -2.598
  143   1HB   ALA  43          1HB       ALA  43 -13.323  -2.760  -4.330
  144   2HB   ALA  43          2HB       ALA  43 -11.890  -1.739  -4.155
  145   3HB   ALA  43          3HB       ALA  43 -11.885  -3.379  -3.504
  146    H    SER  44           H        SER  44 -11.575  -3.769  -1.539
  147    HA   SER  44           HA       SER  44 -13.527  -5.070   0.311
  148   1HB   SER  44          2HB       SER  44 -11.398  -6.048  -1.486
  149   2HB   SER  44          3HB       SER  44 -11.214  -6.651   0.165
  150    HG   SER  44           HG       SER  44 -12.579  -7.991  -1.034
  151    H    ALA  45           H        ALA  45 -11.492  -2.538   0.477
  152    HA   ALA  45           HA       ALA  45 -10.568  -2.998   3.184
  153   1HB   ALA  45          1HB       ALA  45  -8.540  -2.597   0.923
  154   2HB   ALA  45          2HB       ALA  45  -8.214  -2.993   2.614
  155   3HB   ALA  45          3HB       ALA  45  -8.943  -4.196   1.585
  156    HA   PRO  46           HA       PRO  46 -11.078   1.342   3.125
  157   1HB   PRO  46          2HB       PRO  46  -9.041   2.450   4.632
  158   2HB   PRO  46          3HB       PRO  46 -10.372   1.473   5.312
  159   1HG   PRO  46          2HG       PRO  46  -7.561   0.614   4.673
  160   2HG   PRO  46          3HG       PRO  46  -8.557   0.192   6.094
  161   1HD   PRO  46          2HD       PRO  46  -8.188  -1.390   3.899
  162   2HD   PRO  46          3HD       PRO  46  -9.664  -1.509   4.901
  163    H    ALA  47           H        ALA  47 -10.355   3.439   2.245
  164    HA   ALA  47           HA       ALA  47  -8.831   3.083  -0.201
  165   1HB   ALA  47          1HB       ALA  47  -9.408   5.403  -0.582
  166   2HB   ALA  47          2HB       ALA  47 -10.825   4.533   0.061
  167   3HB   ALA  47          3HB       ALA  47  -9.898   5.610   1.118
  168    H    ILE  48           H        ILE  48  -6.683   3.243  -0.395
  169    HA   ILE  48           HA       ILE  48  -5.092   4.631   1.728
  170    HB   ILE  48           HB       ILE  48  -3.178   3.354   0.876
  171   1HG1  ILE  48          2HG1      ILE  48  -5.152   1.751  -0.793
  172   2HG1  ILE  48          3HG1      ILE  48  -4.065   2.987  -1.441
  173   1HG2  ILE  48          1HG2      ILE  48  -5.605   1.840   1.885
  174   2HG2  ILE  48          2HG2      ILE  48  -3.961   1.183   1.854
  175   3HG2  ILE  48          3HG2      ILE  48  -4.322   2.613   2.828
  176   1HD1  ILE  48          1HD1      ILE  48  -2.110   1.714  -0.490
  177   2HD1  ILE  48          2HD1      ILE  48  -3.240   0.393  -0.108
  178   3HD1  ILE  48          3HD1      ILE  48  -2.996   0.888  -1.786
  179    H    ASP  49           H        ASP  49  -6.461   5.338  -1.239
  180    HA   ASP  49           HA       ASP  49  -4.552   6.361  -2.815
  181   1HB   ASP  49          2HB       ASP  49  -6.914   6.530  -3.360
  182   2HB   ASP  49          3HB       ASP  49  -7.161   7.728  -2.074
  183    H    LYS  50           H        LYS  50  -5.565   7.899   0.230
  184    HA   LYS  50           HA       LYS  50  -3.476  10.008  -0.047
  185   1HB   LYS  50          2HB       LYS  50  -6.069   9.972   1.567
  186   2HB   LYS  50          3HB       LYS  50  -4.832  11.236   1.594
  187   1HG   LYS  50          2HG       LYS  50  -5.208  11.225  -1.058
  188   2HG   LYS  50          3HG       LYS  50  -6.774  10.527  -0.610
  189   1HD   LYS  50          2HD       LYS  50  -7.109  12.392   1.013
  190   2HD   LYS  50          3HD       LYS  50  -5.552  13.087   0.541
  191   1HE   LYS  50          2HE       LYS  50  -7.818  12.648  -1.466
  192   2HE   LYS  50          3HE       LYS  50  -7.655  14.131  -0.506
  193   1HZ   LYS  50          1HZ       LYS  50  -5.409  14.379  -1.434
  194   2HZ   LYS  50          2HZ       LYS  50  -5.562  13.138  -2.374
  195   3HZ   LYS  50          3HZ       LYS  50  -6.564  14.432  -2.622
  196    H    ALA  51           H        ALA  51  -3.041   7.246   0.765
  197    HA   ALA  51           HA       ALA  51  -2.667   7.051   3.586
  198   1HB   ALA  51          1HB       ALA  51  -2.448   5.108   2.142
  199   2HB   ALA  51          2HB       ALA  51  -1.011   5.819   1.359
  200   3HB   ALA  51          3HB       ALA  51  -0.974   5.359   3.080
  201    H    GLY  52           H        GLY  52  -0.515   8.369   0.962
  202   1HA   GLY  52          1HA       GLY  52   1.727   8.971   2.466
  203   2HA   GLY  52          2HA       GLY  52   1.146   9.900   1.066
  204    H    ALA  53           H        ALA  53  -1.369  10.664   2.491
  205    HA   ALA  53           HA       ALA  53  -0.290  13.060   3.841
  206   1HB   ALA  53          1HB       ALA  53  -3.120  12.134   3.208
  207   2HB   ALA  53          2HB       ALA  53  -2.709  13.646   4.038
  208   3HB   ALA  53          3HB       ALA  53  -2.184  13.385   2.364
  209    H    ASN  54           H        ASN  54  -2.068  10.063   4.606
  210    HA   ASN  54           HA       ASN  54  -2.607  10.748   7.367
  211   1HB   ASN  54          2HB       ASN  54  -2.694   8.160   5.769
  212   2HB   ASN  54          3HB       ASN  54  -2.901   8.180   7.517
  213   1HD2  ASN  54          1HD2      ASN  54  -4.322   9.497   4.460
  214   2HD2  ASN  54          2HD2      ASN  54  -5.899   9.744   5.204
  215    H    TYR  55           H        TYR  55  -0.070   8.802   5.749
  216    HA   TYR  55           HA       TYR  55   1.572   8.779   8.233
  217   1HB   TYR  55          2HB       TYR  55   1.132   6.395   6.432
  218   2HB   TYR  55          3HB       TYR  55   1.865   6.416   8.025
  219    HD1  TYR  55           HD1      TYR  55  -0.682   5.002   6.453
  220    HD2  TYR  55           HD2      TYR  55  -0.030   7.578   9.849
  221    HE1  TYR  55           HE1      TYR  55  -2.821   4.300   7.415
  222    HE2  TYR  55           HE2      TYR  55  -2.261   6.938  10.748
  223    HH   TYR  55           HH       TYR  55  -4.488   4.807   8.887
  224    H    SER  56           H        SER  56   3.837   8.649   7.751
  225    HA   SER  56           HA       SER  56   4.612   9.644   5.118
  226   1HB   SER  56          2HB       SER  56   6.873   9.643   6.079
  227   2HB   SER  56          3HB       SER  56   5.717  10.398   7.190
  228    HG   SER  56           HG       SER  56   5.665   8.495   8.396
  229    H    GLU  57           H        GLU  57   6.515   8.588   3.978
  230    HA   GLU  57           HA       GLU  57   5.945   6.078   2.917
  231   1HB   GLU  57          2HB       GLU  57   8.379   6.021   2.302
  232   2HB   GLU  57          3HB       GLU  57   7.415   7.349   1.678
  233   1HG   GLU  57          2HG       GLU  57   8.996   7.797   4.193
  234   2HG   GLU  57          3HG       GLU  57   9.765   7.759   2.612
  235    H    GLU  58           H        GLU  58   8.066   6.845   5.679
  236    HA   GLU  58           HA       GLU  58   9.049   4.216   6.105
  237   1HB   GLU  58          2HB       GLU  58   9.130   6.832   7.434
  238   2HB   GLU  58          3HB       GLU  58   8.956   5.549   8.624
  239   1HG   GLU  58          2HG       GLU  58  11.046   5.360   6.413
  240   2HG   GLU  58          3HG       GLU  58  11.340   6.261   7.903
  241    H    GLU  59           H        GLU  59   6.005   5.783   7.160
  242    HA   GLU  59           HA       GLU  59   5.385   3.670   9.093
  243   1HB   GLU  59          2HB       GLU  59   3.924   6.048   7.936
  244   2HB   GLU  59          3HB       GLU  59   3.218   4.975   9.174
  245   1HG   GLU  59          2HG       GLU  59   4.867   5.657  10.791
  246   2HG   GLU  59          3HG       GLU  59   5.825   6.510   9.571
  247    H    ILE  60           H        ILE  60   4.308   4.760   5.835
  248    HA   ILE  60           HA       ILE  60   2.312   2.760   5.521
  249    HB   ILE  60           HB       ILE  60   3.908   4.187   3.394
  250   1HG1  ILE  60          2HG1      ILE  60   1.163   4.664   4.607
  251   2HG1  ILE  60          3HG1      ILE  60   2.604   5.588   4.921
  252   1HG2  ILE  60          1HG2      ILE  60   2.986   2.653   1.991
  253   2HG2  ILE  60          2HG2      ILE  60   1.937   1.962   3.239
  254   3HG2  ILE  60          3HG2      ILE  60   1.404   3.346   2.329
  255   1HD1  ILE  60          1HD1      ILE  60   1.367   6.808   3.313
  256   2HD1  ILE  60          2HD1      ILE  60   2.786   6.160   2.474
  257   3HD1  ILE  60          3HD1      ILE  60   1.182   5.417   2.242
  258    H    LEU  61           H        LEU  61   5.797   2.875   4.688
  259    HA   LEU  61           HA       LEU  61   5.977   0.376   3.461
  260   1HB   LEU  61          2HB       LEU  61   7.788   2.072   3.449
  261   2HB   LEU  61          3HB       LEU  61   8.074   1.790   5.170
  262    HG   LEU  61           HG       LEU  61   8.775  -0.512   4.707
  263   1HD1  LEU  61          1HD1      LEU  61   7.399  -1.167   2.845
  264   2HD1  LEU  61          2HD1      LEU  61   8.011   0.159   1.839
  265   3HD1  LEU  61          3HD1      LEU  61   9.067  -1.206   2.268
  266   1HD2  LEU  61          1HD2      LEU  61  10.095   1.474   2.811
  267   2HD2  LEU  61          2HD2      LEU  61  10.449   1.299   4.545
  268   3HD2  LEU  61          3HD2      LEU  61  10.815  -0.030   3.429
  269    H    ASP  62           H        ASP  62   6.375   1.263   6.961
  270    HA   ASP  62           HA       ASP  62   6.751  -1.333   7.899
  271   1HB   ASP  62          2HB       ASP  62   6.901   0.802   9.241
  272   2HB   ASP  62          3HB       ASP  62   5.132   0.770   9.376
  273    H    ILE  63           H        ILE  63   3.574   0.324   7.276
  274    HA   ILE  63           HA       ILE  63   1.999  -1.947   8.066
  275    HB   ILE  63           HB       ILE  63   1.415   0.319   6.125
  276   1HG1  ILE  63          2HG1      ILE  63   0.358  -0.117   8.926
  277   2HG1  ILE  63          3HG1      ILE  63   1.832   0.796   8.579
  278   1HG2  ILE  63          1HG2      ILE  63  -0.406  -1.880   7.184
  279   2HG2  ILE  63          2HG2      ILE  63  -1.006  -0.383   6.462
  280   3HG2  ILE  63          3HG2      ILE  63  -0.057  -1.496   5.484
  281   1HD1  ILE  63          1HD1      ILE  63  -0.924   1.543   7.558
  282   2HD1  ILE  63          2HD1      ILE  63   0.007   2.342   8.831
  283   3HD1  ILE  63          3HD1      ILE  63   0.597   2.374   7.162
  284    H    ILE  64           H        ILE  64   3.322  -1.112   4.812
  285    HA   ILE  64           HA       ILE  64   2.137  -3.351   3.499
  286    HB   ILE  64           HB       ILE  64   4.675  -1.791   2.901
  287   1HG1  ILE  64          2HG1      ILE  64   1.989  -1.676   1.485
  288   2HG1  ILE  64          3HG1      ILE  64   2.276  -0.688   2.908
  289   1HG2  ILE  64          1HG2      ILE  64   4.886  -3.908   1.736
  290   2HG2  ILE  64          2HG2      ILE  64   3.180  -3.875   1.256
  291   3HG2  ILE  64          3HG2      ILE  64   4.330  -2.726   0.548
  292   1HD1  ILE  64          1HD1      ILE  64   2.728   0.628   0.941
  293   2HD1  ILE  64          2HD1      ILE  64   4.214   0.390   1.866
  294   3HD1  ILE  64          3HD1      ILE  64   3.943  -0.526   0.368
  295    H    LEU  65           H        LEU  65   5.226  -3.013   5.220
  296    HA   LEU  65           HA       LEU  65   6.123  -5.694   4.720
  297   1HB   LEU  65          2HB       LEU  65   6.947  -3.544   6.698
  298   2HB   LEU  65          3HB       LEU  65   7.747  -5.101   6.574
  299    HG   LEU  65           HG       LEU  65   7.561  -3.016   4.344
  300   1HD1  LEU  65          1HD1      LEU  65   9.057  -2.393   6.227
  301   2HD1  LEU  65          2HD1      LEU  65   9.928  -3.928   6.033
  302   3HD1  LEU  65          3HD1      LEU  65   9.966  -2.714   4.739
  303   1HD2  LEU  65          1HD2      LEU  65   9.297  -4.441   3.213
  304   2HD2  LEU  65          2HD2      LEU  65   8.936  -5.726   4.385
  305   3HD2  LEU  65          3HD2      LEU  65   7.688  -5.157   3.247
  306    H    ASN  66           H        ASN  66   3.871  -4.457   7.212
  307    HA   ASN  66           HA       ASN  66   4.306  -7.021   8.759
  308   1HB   ASN  66          2HB       ASN  66   3.759  -4.284   9.946
  309   2HB   ASN  66          3HB       ASN  66   3.949  -5.806  10.814
  310   1HD2  ASN  66          1HD2      ASN  66   5.541  -3.160   9.368
  311   2HD2  ASN  66          2HD2      ASN  66   7.102  -3.425  10.052
  312    H    GLY  67           H        GLY  67   2.488  -5.920   6.734
  313   1HA   GLY  67          1HA       GLY  67   0.315  -5.237   6.242
  314   2HA   GLY  67          2HA       GLY  67  -0.090  -6.779   6.849
  315    H    GLN  68           H        GLN  68  -2.043  -6.162   8.086
  316    HA   GLN  68           HA       GLN  68  -2.026  -4.810  10.513
  317   1HB   GLN  68          2HB       GLN  68  -1.443  -2.716   9.547
  318   2HB   GLN  68          3HB       GLN  68  -2.577  -2.886   8.204
  319   1HG   GLN  68          2HG       GLN  68  -4.382  -2.249   9.575
  320   2HG   GLN  68          3HG       GLN  68  -3.586  -2.797  11.060
  321   1HE2  GLN  68          1HE2      GLN  68  -4.099  -0.055   8.948
  322   2HE2  GLN  68          2HE2      GLN  68  -3.087   1.042   9.871
  323    H    GLY  69           H        GLY  69  -4.115  -5.188  11.552
  324   1HA   GLY  69          1HA       GLY  69  -5.917  -6.519  11.752
  325   2HA   GLY  69          2HA       GLY  69  -6.594  -5.328  10.643
  326    H    GLY  70           H        GLY  70  -7.594  -6.269   8.905
  327   1HA   GLY  70          1HA       GLY  70  -7.419  -9.056   8.281
  328   2HA   GLY  70          2HA       GLY  70  -8.176  -7.795   7.297
  329    H    MET  71           H        MET  71  -5.398  -6.386   7.278
  330    HA   MET  71           HA       MET  71  -4.682  -7.352   4.687
  331   1HB   MET  71          1HB       MET  71  -4.620  -4.987   5.511
  332   2HB   MET  71          2HB       MET  71  -3.206  -5.382   6.455
  333   1HG   MET  71          1HG       MET  71  -1.911  -5.998   4.637
  334   2HG   MET  71          2HG       MET  71  -3.215  -5.836   3.477
  335   1HE   MET  71          1HE       MET  71  -0.907  -4.589   2.546
  336   2HE   MET  71          2HE       MET  71  -0.247  -3.079   3.243
  337   3HE   MET  71          3HE       MET  71  -0.131  -4.620   4.127
  338    HA   PRO  72           HA       PRO  72  -1.677 -10.237   6.492
  339   1HB   PRO  72          2HB       PRO  72  -0.876 -11.535   4.212
  340   2HB   PRO  72          3HB       PRO  72  -2.385 -11.793   5.123
  341   1HG   PRO  72          2HG       PRO  72  -1.910 -10.192   2.580
  342   2HG   PRO  72          3HG       PRO  72  -3.306 -11.243   2.940
  343   1HD   PRO  72          2HD       PRO  72  -3.261  -8.451   3.228
  344   2HD   PRO  72          3HD       PRO  72  -4.370  -9.508   4.100
  345    H    GLY  73           H        GLY  73   0.184  -9.513   7.130
  346   1HA   GLY  73          1HA       GLY  73   1.703  -7.641   5.809
  347   2HA   GLY  73          2HA       GLY  73   2.356  -8.643   7.156
  348    H    GLY  74           H        GLY  74   3.339  -7.315   4.652
  349   1HA   GLY  74          1HA       GLY  74   5.279  -7.866   3.406
  350   2HA   GLY  74          2HA       GLY  74   5.132  -9.557   3.905
  351    H    ILE  75           H        ILE  75   2.587  -7.639   2.430
  352    HA   ILE  75           HA       ILE  75   1.949  -9.449   0.332
  353    HB   ILE  75           HB       ILE  75   1.201  -6.722   1.300
  354   1HG1  ILE  75          2HG1      ILE  75  -0.634  -8.739   0.047
  355   2HG1  ILE  75          3HG1      ILE  75   0.073  -9.057   1.635
  356   1HG2  ILE  75          1HG2      ILE  75  -0.110  -6.254  -0.828
  357   2HG2  ILE  75          2HG2      ILE  75   1.607  -6.204  -1.177
  358   3HG2  ILE  75          3HG2      ILE  75   0.655  -7.627  -1.618
  359   1HD1  ILE  75          1HD1      ILE  75  -2.194  -7.760   1.493
  360   2HD1  ILE  75          2HD1      ILE  75  -0.954  -7.169   2.626
  361   3HD1  ILE  75          3HD1      ILE  75  -1.180  -6.374   1.085
  362    H    ALA  76           H        ALA  76   3.749  -6.358   0.188
  363    HA   ALA  76           HA       ALA  76   5.377  -7.400  -2.088
  364   1HB   ALA  76          1HB       ALA  76   4.826  -4.539  -1.180
  365   2HB   ALA  76          2HB       ALA  76   5.850  -5.028  -2.543
  366   3HB   ALA  76          3HB       ALA  76   4.111  -5.334  -2.600
  367    H    LYS  77           H        LYS  77   7.724  -6.812  -1.895
  368    HA   LYS  77           HA       LYS  77   8.741  -6.099   0.773
  369   1HB   LYS  77          2HB       LYS  77   8.916  -8.829  -0.454
  370   2HB   LYS  77          3HB       LYS  77  10.447  -8.165   0.114
  371   1HG   LYS  77          2HG       LYS  77   9.499  -7.732   2.334
  372   2HG   LYS  77          3HG       LYS  77   7.939  -8.401   1.815
  373   1HD   LYS  77          2HD       LYS  77   8.837 -10.581   1.494
  374   2HD   LYS  77          3HD       LYS  77  10.512 -10.043   1.606
  375   1HE   LYS  77          2HE       LYS  77   8.594  -9.691   3.950
  376   2HE   LYS  77          3HE       LYS  77   9.383 -11.247   3.662
  377   1HZ   LYS  77          1HZ       LYS  77  10.863  -8.726   4.015
  378   2HZ   LYS  77          2HZ       LYS  77  10.589  -9.828   5.203
  379   3HZ   LYS  77          3HZ       LYS  77  11.493 -10.243   3.897
  380    H    GLY  78           H        GLY  78  11.109  -5.658   0.703
  381   1HA   GLY  78          1HA       GLY  78  12.912  -4.566  -0.207
  382   2HA   GLY  78          2HA       GLY  78  12.615  -5.525  -1.670
  383    H    ALA  79           H        ALA  79  13.088  -3.819  -3.108
  384    HA   ALA  79           HA       ALA  79  12.050  -1.238  -3.156
  385   1HB   ALA  79          1HB       ALA  79  12.598  -3.076  -5.508
  386   2HB   ALA  79          2HB       ALA  79  12.359  -1.316  -5.589
  387   3HB   ALA  79          3HB       ALA  79  13.750  -1.976  -4.710
  388    H    GLU  80           H        GLU  80  10.420  -4.287  -3.941
  389    HA   GLU  80           HA       GLU  80   8.170  -3.245  -5.299
  390   1HB   GLU  80          2HB       GLU  80   9.089  -5.754  -4.745
  391   2HB   GLU  80          3HB       GLU  80   7.839  -5.620  -3.505
  392   1HG   GLU  80          2HG       GLU  80   6.162  -5.191  -5.235
  393   2HG   GLU  80          3HG       GLU  80   7.424  -5.275  -6.483
  394    H    ALA  81           H        ALA  81   8.992  -3.388  -1.868
  395    HA   ALA  81           HA       ALA  81   6.327  -2.319  -1.094
  396   1HB   ALA  81          1HB       ALA  81   8.716  -3.060   0.632
  397   2HB   ALA  81          2HB       ALA  81   7.076  -2.615   1.170
  398   3HB   ALA  81          3HB       ALA  81   7.327  -4.103   0.261
  399    H    GLU  82           H        GLU  82   9.818  -1.404  -0.840
  400    HA   GLU  82           HA       GLU  82   9.483   1.112   0.337
  401   1HB   GLU  82          2HB       GLU  82  11.573   0.111  -1.611
  402   2HB   GLU  82          3HB       GLU  82  11.731   1.613  -0.732
  403   1HG   GLU  82          2HG       GLU  82  11.964   0.545   1.344
  404   2HG   GLU  82          3HG       GLU  82  11.252  -0.978   0.786
  405    H    ALA  83           H        ALA  83   9.632   0.357  -3.192
  406    HA   ALA  83           HA       ALA  83   9.481   3.068  -4.046
  407   1HB   ALA  83          1HB       ALA  83   8.510   0.595  -5.544
  408   2HB   ALA  83          2HB       ALA  83   8.959   2.166  -6.234
  409   3HB   ALA  83          3HB       ALA  83  10.200   1.147  -5.483
  410    H    VAL  84           H        VAL  84   6.978   0.583  -3.440
  411    HA   VAL  84           HA       VAL  84   4.717   2.122  -4.245
  412    HB   VAL  84           HB       VAL  84   5.029  -0.175  -2.276
  413   1HG1  VAL  84          1HG1      VAL  84   2.524   1.224  -3.271
  414   2HG1  VAL  84          2HG1      VAL  84   2.541  -0.393  -2.542
  415   3HG1  VAL  84          3HG1      VAL  84   3.027   1.016  -1.583
  416   1HG2  VAL  84          1HG2      VAL  84   5.467  -0.605  -4.731
  417   2HG2  VAL  84          2HG2      VAL  84   4.057  -1.451  -4.065
  418   3HG2  VAL  84          3HG2      VAL  84   3.838  -0.009  -5.075
  419    H    ALA  85           H        ALA  85   6.075   1.602  -0.968
  420    HA   ALA  85           HA       ALA  85   4.471   3.380   0.431
  421   1HB   ALA  85          1HB       ALA  85   7.456   2.982   0.927
  422   2HB   ALA  85          2HB       ALA  85   6.232   3.534   2.076
  423   3HB   ALA  85          3HB       ALA  85   6.171   1.870   1.458
  424    H    ALA  86           H        ALA  86   7.597   4.203  -1.155
  425    HA   ALA  86           HA       ALA  86   7.502   6.975  -0.479
  426   1HB   ALA  86          1HB       ALA  86   8.929   5.670  -2.821
  427   2HB   ALA  86          2HB       ALA  86   9.292   7.245  -2.076
  428   3HB   ALA  86          3HB       ALA  86   9.542   5.750  -1.154
  429    H    TRP  87           H        TRP  87   6.403   5.237  -3.405
  430    HA   TRP  87           HA       TRP  87   5.622   7.526  -4.907
  431   1HB   TRP  87          2HB       TRP  87   5.994   5.324  -5.835
  432   2HB   TRP  87          3HB       TRP  87   4.699   4.642  -4.853
  433    HD1  TRP  87           HD1      TRP  87   5.212   6.955  -7.853
  434    HE1  TRP  87           HE1      TRP  87   3.189   6.735  -9.417
  435    HE3  TRP  87           HE3      TRP  87   2.269   4.053  -4.897
  436    HZ2  TRP  87           HZ2      TRP  87   0.554   5.508  -9.334
  437    HZ3  TRP  87           HZ3      TRP  87  -0.044   3.455  -5.604
  438    HH2  TRP  87           HH2      TRP  87  -0.860   4.084  -7.857
  439    H    LEU  88           H        LEU  88   3.720   5.360  -2.761
  440    HA   LEU  88           HA       LEU  88   1.378   7.018  -2.853
  441   1HB   LEU  88          2HB       LEU  88   2.226   4.667  -1.213
  442   2HB   LEU  88          3HB       LEU  88   1.100   5.766  -0.443
  443    HG   LEU  88           HG       LEU  88   0.171   5.345  -3.174
  444   1HD1  LEU  88          1HD1      LEU  88   0.530   2.804  -1.585
  445   2HD1  LEU  88          2HD1      LEU  88  -0.331   3.038  -3.136
  446   3HD1  LEU  88          3HD1      LEU  88   1.432   3.269  -3.046
  447   1HD2  LEU  88          1HD2      LEU  88  -1.855   4.640  -2.047
  448   2HD2  LEU  88          2HD2      LEU  88  -0.986   4.435  -0.516
  449   3HD2  LEU  88          3HD2      LEU  88  -1.189   6.062  -1.217
  450    H    ALA  89           H        ALA  89   4.307   7.230  -0.839
  451    HA   ALA  89           HA       ALA  89   3.297   9.206   0.900
  452   1HB   ALA  89          1HB       ALA  89   5.471   8.060   1.105
  453   2HB   ALA  89          2HB       ALA  89   6.141   9.196  -0.098
  454   3HB   ALA  89          3HB       ALA  89   5.486   9.800   1.424
  455    H    GLU  90           H        GLU  90   4.290   9.453  -2.526
  456    HA   GLU  90           HA       GLU  90   3.864  12.360  -2.542
  457   1HB   GLU  90          2HB       GLU  90   4.496  10.317  -4.673
  458   2HB   GLU  90          3HB       GLU  90   3.837  11.899  -5.102
  459   1HG   GLU  90          2HG       GLU  90   5.642  13.044  -3.911
  460   2HG   GLU  90          3HG       GLU  90   6.313  11.489  -3.377
  461    H    LYS  91           H        LYS  91   1.838   9.443  -3.140
  462    HA   LYS  91           HA       LYS  91  -0.282  11.066  -4.321
  463   1HB   LYS  91          2HB       LYS  91  -0.376   8.229  -3.249
  464   2HB   LYS  91          3HB       LYS  91  -1.652   9.107  -4.061
  465   1HG   LYS  91          2HG       LYS  91   0.438   9.496  -5.835
  466   2HG   LYS  91          3HG       LYS  91   0.781   7.879  -5.239
  467   1HD   LYS  91          2HD       LYS  91  -1.811   8.887  -6.554
  468   2HD   LYS  91          3HD       LYS  91  -0.594   7.813  -7.238
  469   1HE   LYS  91          2HE       LYS  91  -2.177   6.305  -6.654
  470   2HE   LYS  91          3HE       LYS  91  -1.120   6.223  -5.244
  471   1HZ   LYS  91          1HZ       LYS  91  -3.765   7.669  -5.317
  472   2HZ   LYS  91          2HZ       LYS  91  -3.421   6.285  -4.595
  473   3HZ   LYS  91          3HZ       LYS  91  -2.761   7.656  -4.053
  474    H    LYS  92           H        LYS  92  -1.393  12.517  -3.226
  475    HA   LYS  92           HA       LYS  92  -2.188  12.109  -0.389
  476   1HB   LYS  92          2HB       LYS  92  -0.545  14.322  -1.666
  477   2HB   LYS  92          3HB       LYS  92  -1.445  14.597  -0.167
  478   1HG   LYS  92          2HG       LYS  92  -0.164  13.193   1.100
  479   2HG   LYS  92          3HG       LYS  92   0.386  12.201  -0.255
  480   1HD   LYS  92          2HD       LYS  92   1.948  13.714  -0.991
  481   2HD   LYS  92          3HD       LYS  92   1.215  15.101  -0.163
  482   1HE   LYS  92          2HE       LYS  92   2.140  14.589   1.905
  483   2HE   LYS  92          3HE       LYS  92   2.151  12.847   1.593
  484   1HZ   LYS  92          1HZ       LYS  92   4.037  14.657   0.273
  485   2HZ   LYS  92          2HZ       LYS  92   4.357  13.762   1.634
  486   3HZ   LYS  92          3HZ       LYS  92   3.952  13.001   0.239
  487    HHA  HEC  93           HHA      HEC  93  -5.083  -0.556   6.359
  488    HHB  HEC  93           HHB      HEC  93  -0.567   0.605   1.941
  489    HHC  HEC  93           HHC      HEC  93  -1.993  -5.085  -0.801
  490    HHD  HEC  93           HHD      HEC  93  -7.045  -5.698   3.076
  491   1HMA  HEC  93          1HMA      HEC  93  -0.287   2.002   4.818
  492   2HMA  HEC  93          2HMA      HEC  93  -0.743   2.430   3.160
  493   3HMA  HEC  93          3HMA      HEC  93  -1.635   3.111   4.487
  494   1HAA  HEC  93          1HAA      HEC  93  -2.844   2.544   6.192
  495   2HAA  HEC  93          2HAA      HEC  93  -3.306   1.178   7.177
  496   1HBA  HEC  93          1HBA      HEC  93  -5.561   1.590   6.866
  497   2HBA  HEC  93          2HBA      HEC  93  -5.345   1.987   5.148
  498   1HMB  HEC  93          1HMB      HEC  93   0.095  -0.084  -1.558
  499   2HMB  HEC  93          2HMB      HEC  93   0.331   0.636   0.011
  500   3HMB  HEC  93          3HMB      HEC  93   1.430  -0.625  -0.524
  501    HAB  HEC  93           HAB      HEC  93  -0.373  -4.246  -1.859
  502   1HBB  HEC  93          1HBB      HEC  93   1.683  -4.014  -0.494
  503   2HBB  HEC  93          2HBB      HEC  93   1.950  -4.009  -2.251
  504   3HBB  HEC  93          3HBB      HEC  93   2.048  -2.505  -1.344
  505   1HMC  HEC  93          1HMC      HEC  93  -4.061  -6.510  -1.854
  506   2HMC  HEC  93          2HMC      HEC  93  -2.785  -7.311  -0.899
  507   3HMC  HEC  93          3HMC      HEC  93  -4.405  -7.994  -0.954
  508    HAC  HEC  93           HAC      HEC  93  -7.278  -7.103   1.535
  509   1HBC  HEC  93          1HBC      HEC  93  -5.152  -9.132   0.788
  510   2HBC  HEC  93          2HBC      HEC  93  -5.764  -8.754   2.409
  511   3HBC  HEC  93          3HBC      HEC  93  -6.846  -9.461   1.201
  512   1HMD  HEC  93          1HMD      HEC  93  -7.894  -5.593   5.789
  513   2HMD  HEC  93          2HMD      HEC  93  -8.946  -4.182   5.950
  514   3HMD  HEC  93          3HMD      HEC  93  -8.784  -4.968   4.382
  515   1HAD  HEC  93          1HAD      HEC  93  -8.261  -2.246   6.957
  516   2HAD  HEC  93          2HAD      HEC  93  -6.789  -1.452   7.466
  517   1HBD  HEC  93          1HBD      HEC  93  -6.072  -3.259   8.697
  518   2HBD  HEC  93          2HBD      HEC  93  -6.758  -4.443   7.595
  Start of MODEL    3
    1   1H    VAL  22          H1        VAL  22  11.880   0.081  -9.860
    2   2H    VAL  22          H2        VAL  22  11.501  -0.125  -8.284
    3   3H    VAL  22          H3        VAL  22  12.457  -1.256  -9.054
    4    HA   VAL  22           HA       VAL  22  10.558  -1.789 -10.479
    5    HB   VAL  22           HB       VAL  22  10.366  -2.004  -7.459
    6   1HG1  VAL  22          1HG1      VAL  22   8.265  -2.969  -9.437
    7   2HG1  VAL  22          2HG1      VAL  22   8.481  -3.644  -7.816
    8   3HG1  VAL  22          3HG1      VAL  22   8.054  -1.934  -8.000
    9   1HG2  VAL  22          1HG2      VAL  22  11.000  -4.234  -7.770
   10   2HG2  VAL  22          2HG2      VAL  22  10.429  -4.283  -9.448
   11   3HG2  VAL  22          3HG2      VAL  22  11.931  -3.429  -9.047
   12    H    ASP  23           H        ASP  23   8.515  -1.120 -11.249
   13    HA   ASP  23           HA       ASP  23   7.860   1.634 -10.709
   14   1HB   ASP  23          2HB       ASP  23   6.564  -0.519 -12.420
   15   2HB   ASP  23          3HB       ASP  23   6.000   1.158 -12.323
   16    H    ALA  24           H        ALA  24   7.131   2.036  -8.761
   17    HA   ALA  24           HA       ALA  24   5.706   0.625  -6.923
   18   1HB   ALA  24          1HB       ALA  24   5.425   3.545  -7.753
   19   2HB   ALA  24          2HB       ALA  24   4.725   2.856  -6.278
   20   3HB   ALA  24          3HB       ALA  24   6.492   2.883  -6.508
   21    H    GLU  25           H        GLU  25   4.209   2.708  -9.420
   22    HA   GLU  25           HA       GLU  25   1.537   2.105  -9.030
   23   1HB   GLU  25          2HB       GLU  25   1.345   2.525 -11.554
   24   2HB   GLU  25          3HB       GLU  25   1.933   3.829 -10.527
   25   1HG   GLU  25          2HG       GLU  25   4.206   3.530 -11.217
   26   2HG   GLU  25          3HG       GLU  25   3.802   2.018 -12.066
   27    H    ALA  26           H        ALA  26   3.924   0.178 -10.930
   28    HA   ALA  26           HA       ALA  26   1.990  -1.643 -11.997
   29   1HB   ALA  26          1HB       ALA  26   4.945  -2.169 -11.505
   30   2HB   ALA  26          2HB       ALA  26   3.860  -3.013 -12.617
   31   3HB   ALA  26          3HB       ALA  26   4.282  -1.317 -12.921
   32    H    VAL  27           H        VAL  27   4.118  -1.706  -9.112
   33    HA   VAL  27           HA       VAL  27   3.310  -4.297  -8.177
   34    HB   VAL  27           HB       VAL  27   4.259  -1.849  -6.624
   35   1HG1  VAL  27          1HG1      VAL  27   3.996  -4.754  -5.794
   36   2HG1  VAL  27          2HG1      VAL  27   4.809  -3.512  -4.836
   37   3HG1  VAL  27          3HG1      VAL  27   3.072  -3.407  -5.092
   38   1HG2  VAL  27          1HG2      VAL  27   5.712  -4.337  -7.599
   39   2HG2  VAL  27          2HG2      VAL  27   5.874  -2.709  -8.282
   40   3HG2  VAL  27          3HG2      VAL  27   6.403  -3.017  -6.619
   41    H    VAL  28           H        VAL  28   2.078  -1.017  -7.365
   42    HA   VAL  28           HA       VAL  28   0.036  -1.886  -5.644
   43    HB   VAL  28           HB       VAL  28   0.247   0.581  -7.420
   44   1HG1  VAL  28          1HG1      VAL  28  -1.690   0.178  -5.116
   45   2HG1  VAL  28          2HG1      VAL  28  -1.474   1.626  -6.101
   46   3HG1  VAL  28          3HG1      VAL  28  -2.145   0.174  -6.837
   47   1HG2  VAL  28          1HG2      VAL  28   1.949   0.690  -5.763
   48   2HG2  VAL  28          2HG2      VAL  28   0.620   1.538  -4.981
   49   3HG2  VAL  28          3HG2      VAL  28   0.952  -0.128  -4.555
   50    H    GLN  29           H        GLN  29  -0.096  -1.291  -9.100
   51    HA   GLN  29           HA       GLN  29  -2.696  -2.176  -9.712
   52   1HB   GLN  29          2HB       GLN  29  -0.153  -2.046 -11.310
   53   2HB   GLN  29          3HB       GLN  29  -1.693  -2.524 -12.003
   54   1HG   GLN  29          2HG       GLN  29  -1.449   0.108 -10.481
   55   2HG   GLN  29          3HG       GLN  29  -0.930  -0.049 -12.159
   56   1HE2  GLN  29          1HE2      GLN  29  -3.671   0.432 -10.079
   57   2HE2  GLN  29          2HE2      GLN  29  -4.879   0.351 -11.333
   58    H    GLN  30           H        GLN  30  -0.087  -4.166  -8.555
   59    HA   GLN  30           HA       GLN  30  -1.843  -6.428  -9.209
   60   1HB   GLN  30          2HB       GLN  30   0.253  -6.099 -10.879
   61   2HB   GLN  30          3HB       GLN  30   1.094  -6.941  -9.570
   62   1HG   GLN  30          2HG       GLN  30  -1.037  -8.547  -9.686
   63   2HG   GLN  30          3HG       GLN  30  -1.246  -7.829 -11.291
   64   1HE2  GLN  30          1HE2      GLN  30  -0.752 -10.620 -10.668
   65   2HE2  GLN  30          2HE2      GLN  30   0.800 -11.030 -11.378
   66    H    LYS  31           H        LYS  31  -1.337  -4.973  -6.734
   67    HA   LYS  31           HA       LYS  31  -1.221  -7.419  -5.137
   68   1HB   LYS  31          2HB       LYS  31   0.971  -5.329  -4.894
   69   2HB   LYS  31          3HB       LYS  31   0.303  -6.026  -3.433
   70   1HG   LYS  31          2HG       LYS  31   1.615  -7.783  -3.595
   71   2HG   LYS  31          3HG       LYS  31   0.777  -8.278  -5.063
   72   1HD   LYS  31          2HD       LYS  31   2.334  -6.729  -6.349
   73   2HD   LYS  31          3HD       LYS  31   3.254  -6.524  -4.839
   74   1HE   LYS  31          2HE       LYS  31   2.662  -9.249  -6.074
   75   2HE   LYS  31          3HE       LYS  31   4.102  -8.303  -6.467
   76   1HZ   LYS  31          1HZ       LYS  31   4.448  -9.933  -4.686
   77   2HZ   LYS  31          2HZ       LYS  31   4.876  -8.404  -4.337
   78   3HZ   LYS  31          3HZ       LYS  31   3.526  -9.025  -3.644
   79    H    CYS  32           H        CYS  32  -1.273  -3.823  -4.940
   80    HA   CYS  32           HA       CYS  32  -2.793  -4.042  -2.473
   81   1HB   CYS  32          2HB       CYS  32  -2.451  -1.503  -4.011
   82   2HB   CYS  32          3HB       CYS  32  -2.573  -1.740  -2.269
   83    H    ILE  33           H        ILE  33  -3.448  -2.984  -5.765
   84    HA   ILE  33           HA       ILE  33  -6.068  -2.178  -5.480
   85    HB   ILE  33           HB       ILE  33  -6.361  -2.878  -7.869
   86   1HG1  ILE  33          2HG1      ILE  33  -3.613  -3.623  -8.380
   87   2HG1  ILE  33          3HG1      ILE  33  -4.321  -4.808  -7.336
   88   1HG2  ILE  33          1HG2      ILE  33  -4.584  -1.407  -8.798
   89   2HG2  ILE  33          2HG2      ILE  33  -5.382  -0.721  -7.392
   90   3HG2  ILE  33          3HG2      ILE  33  -3.776  -1.407  -7.215
   91   1HD1  ILE  33          1HD1      ILE  33  -4.685  -5.470  -9.623
   92   2HD1  ILE  33          2HD1      ILE  33  -6.253  -5.017  -8.929
   93   3HD1  ILE  33          3HD1      ILE  33  -5.403  -3.894 -10.023
   94    H    SER  34           H        SER  34  -4.872  -5.524  -5.550
   95    HA   SER  34           HA       SER  34  -7.023  -7.048  -6.130
   96   1HB   SER  34          2HB       SER  34  -5.153  -7.496  -3.781
   97   2HB   SER  34          3HB       SER  34  -5.890  -8.725  -4.829
   98    HG   SER  34           HG       SER  34  -3.593  -7.951  -5.233
   99    H    CYS  35           H        CYS  35  -6.521  -5.128  -3.190
  100    HA   CYS  35           HA       CYS  35  -9.269  -5.893  -2.254
  101   1HB   CYS  35          2HB       CYS  35  -7.020  -4.959  -0.478
  102   2HB   CYS  35          3HB       CYS  35  -8.565  -5.686  -0.008
  103    H    HIS  36           HN       HIS  36  -6.728  -3.358  -2.323
  104    HA   HIS  36           HA       HIS  36  -8.410  -1.245  -1.370
  105   1HB   HIS  36          2HB       HIS  36  -5.703  -1.383  -2.748
  106   2HB   HIS  36          3HB       HIS  36  -6.453   0.125  -2.320
  107    HD1  HIS  36           HD1      HIS  36  -7.029   0.414   0.423
  108    HD2  HIS  36           HD2      HIS  36  -4.436  -2.675  -0.735
  109    HE1  HIS  36           1HE      HIS  36  -5.818  -0.300   2.519
  110    H    GLY  37           H        GLY  37  -8.344  -2.814  -4.418
  111   1HA   GLY  37          1HA       GLY  37  -9.892  -2.525  -6.081
  112   2HA   GLY  37          2HA       GLY  37 -10.253  -0.872  -5.542
  113    H    GLY  38           H        GLY  38  -9.476  -1.920  -8.250
  114   1HA   GLY  38          1HA       GLY  38  -6.993  -1.266  -9.256
  115   2HA   GLY  38          2HA       GLY  38  -8.517  -0.896 -10.051
  116    H    ASP  39           H        ASP  39  -9.413   0.943  -7.973
  117    HA   ASP  39           HA       ASP  39  -8.043   3.355  -8.946
  118   1HB   ASP  39          2HB       ASP  39 -10.793   2.578  -8.119
  119   2HB   ASP  39          3HB       ASP  39 -10.261   4.142  -7.508
  120    H    LEU  40           H        LEU  40  -7.934   1.414  -5.970
  121    HA   LEU  40           HA       LEU  40  -6.838   1.753  -4.134
  122   1HB   LEU  40          2HB       LEU  40  -5.951   4.552  -4.722
  123   2HB   LEU  40          3HB       LEU  40  -5.148   3.255  -3.854
  124    HG   LEU  40           HG       LEU  40  -5.278   3.751  -6.844
  125   1HD1  LEU  40          1HD1      LEU  40  -2.978   3.173  -4.952
  126   2HD1  LEU  40          2HD1      LEU  40  -2.888   3.708  -6.645
  127   3HD1  LEU  40          3HD1      LEU  40  -3.538   4.796  -5.399
  128   1HD2  LEU  40          1HD2      LEU  40  -4.581   1.111  -5.503
  129   2HD2  LEU  40          2HD2      LEU  40  -5.670   1.417  -6.877
  130   3HD2  LEU  40          3HD2      LEU  40  -3.947   1.606  -7.095
  131    H    THR  41           H        THR  41  -9.583   2.947  -4.865
  132    HA   THR  41           HA       THR  41 -10.071   5.146  -3.010
  133    HB   THR  41           HB       THR  41 -12.409   4.732  -4.129
  134    HG1  THR  41           1HG      THR  41 -12.144   3.551  -6.109
  135   1HG2  THR  41          1HG2      THR  41 -11.671   5.855  -6.242
  136   2HG2  THR  41          2HG2      THR  41 -11.005   6.618  -4.787
  137   3HG2  THR  41          3HG2      THR  41  -9.980   5.573  -5.779
  138    H    GLY  42           H        GLY  42  -9.881   1.766  -2.847
  139   1HA   GLY  42          1HA       GLY  42 -10.214   0.564  -0.897
  140   2HA   GLY  42          2HA       GLY  42 -11.443   1.703  -0.319
  141    H    ALA  43           H        ALA  43 -11.293  -1.297  -1.096
  142    HA   ALA  43           HA       ALA  43 -13.964  -1.403  -2.415
  143   1HB   ALA  43          1HB       ALA  43 -13.227  -2.332  -4.307
  144   2HB   ALA  43          2HB       ALA  43 -11.555  -2.065  -3.791
  145   3HB   ALA  43          3HB       ALA  43 -12.351  -3.600  -3.443
  146    H    SER  44           H        SER  44 -11.570  -3.871  -1.496
  147    HA   SER  44           HA       SER  44 -13.480  -5.028   0.477
  148   1HB   SER  44          2HB       SER  44 -10.862  -6.147  -0.584
  149   2HB   SER  44          3HB       SER  44 -12.079  -6.990   0.384
  150    HG   SER  44           HG       SER  44 -13.559  -6.508  -1.410
  151    H    ALA  45           H        ALA  45 -11.360  -2.554   0.546
  152    HA   ALA  45           HA       ALA  45 -10.467  -2.972   3.265
  153   1HB   ALA  45          1HB       ALA  45  -8.179  -3.114   2.801
  154   2HB   ALA  45          2HB       ALA  45  -8.839  -4.176   1.589
  155   3HB   ALA  45          3HB       ALA  45  -8.331  -2.534   1.132
  156    HA   PRO  46           HA       PRO  46 -10.881   1.370   3.183
  157   1HB   PRO  46          2HB       PRO  46  -8.766   2.444   4.625
  158   2HB   PRO  46          3HB       PRO  46 -10.125   1.540   5.346
  159   1HG   PRO  46          2HG       PRO  46  -7.338   0.599   4.789
  160   2HG   PRO  46          3HG       PRO  46  -8.444   0.167   6.121
  161   1HD   PRO  46          2HD       PRO  46  -7.937  -1.303   3.803
  162   2HD   PRO  46          3HD       PRO  46  -9.354  -1.574   4.866
  163    H    ALA  47           H        ALA  47 -10.183   3.439   2.237
  164    HA   ALA  47           HA       ALA  47  -8.687   3.009  -0.192
  165   1HB   ALA  47          1HB       ALA  47 -10.668   4.533   0.168
  166   2HB   ALA  47          2HB       ALA  47  -9.591   5.650   1.015
  167   3HB   ALA  47          3HB       ALA  47  -9.291   5.264  -0.697
  168    H    ILE  48           H        ILE  48  -6.536   3.306  -0.536
  169    HA   ILE  48           HA       ILE  48  -4.913   4.748   1.531
  170    HB   ILE  48           HB       ILE  48  -2.972   3.556   0.655
  171   1HG1  ILE  48          2HG1      ILE  48  -4.891   1.775  -0.895
  172   2HG1  ILE  48          3HG1      ILE  48  -3.947   3.084  -1.623
  173   1HG2  ILE  48          1HG2      ILE  48  -5.286   1.966   1.800
  174   2HG2  ILE  48          2HG2      ILE  48  -3.632   1.345   1.686
  175   3HG2  ILE  48          3HG2      ILE  48  -3.974   2.782   2.660
  176   1HD1  ILE  48          1HD1      ILE  48  -1.847   2.017  -0.726
  177   2HD1  ILE  48          2HD1      ILE  48  -2.837   0.607  -0.279
  178   3HD1  ILE  48          3HD1      ILE  48  -2.701   1.091  -1.974
  179    H    ASP  49           H        ASP  49  -6.381   5.210  -1.425
  180    HA   ASP  49           HA       ASP  49  -4.915   6.668  -3.097
  181   1HB   ASP  49          2HB       ASP  49  -7.251   6.555  -3.326
  182   2HB   ASP  49          3HB       ASP  49  -7.552   7.197  -1.707
  183    H    LYS  50           H        LYS  50  -5.687   7.837   0.233
  184    HA   LYS  50           HA       LYS  50  -3.639   9.964  -0.104
  185   1HB   LYS  50          2HB       LYS  50  -4.941  11.308   1.503
  186   2HB   LYS  50          3HB       LYS  50  -5.709  11.097  -0.053
  187   1HG   LYS  50          2HG       LYS  50  -6.482   9.180   2.181
  188   2HG   LYS  50          3HG       LYS  50  -7.005  10.866   2.250
  189   1HD   LYS  50          2HD       LYS  50  -7.806  10.580  -0.180
  190   2HD   LYS  50          3HD       LYS  50  -7.662   8.845   0.058
  191   1HE   LYS  50          2HE       LYS  50  -9.409   8.795   1.665
  192   2HE   LYS  50          3HE       LYS  50  -9.233  10.513   2.057
  193   1HZ   LYS  50          1HZ       LYS  50 -11.153  10.219   0.733
  194   2HZ   LYS  50          2HZ       LYS  50 -10.029  11.041  -0.145
  195   3HZ   LYS  50          3HZ       LYS  50 -10.301   9.459  -0.468
  196    H    ALA  51           H        ALA  51  -3.026   7.324   0.680
  197    HA   ALA  51           HA       ALA  51  -2.808   7.217   3.560
  198   1HB   ALA  51          1HB       ALA  51  -1.157   5.457   3.180
  199   2HB   ALA  51          2HB       ALA  51  -2.648   5.192   2.268
  200   3HB   ALA  51          3HB       ALA  51  -1.192   5.790   1.432
  201    H    GLY  52           H        GLY  52  -0.646   8.437   0.909
  202   1HA   GLY  52          1HA       GLY  52   1.662   8.869   2.328
  203   2HA   GLY  52          2HA       GLY  52   1.098   9.894   0.990
  204    H    ALA  53           H        ALA  53  -1.249  10.857   2.436
  205    HA   ALA  53           HA       ALA  53   0.044  13.031   3.960
  206   1HB   ALA  53          1HB       ALA  53  -2.841  12.439   3.192
  207   2HB   ALA  53          2HB       ALA  53  -2.349  13.799   4.227
  208   3HB   ALA  53          3HB       ALA  53  -1.773  13.714   2.557
  209    H    ASN  54           H        ASN  54  -2.243  10.330   4.564
  210    HA   ASN  54           HA       ASN  54  -2.716  10.865   7.318
  211   1HB   ASN  54          2HB       ASN  54  -2.867   8.347   5.616
  212   2HB   ASN  54          3HB       ASN  54  -3.108   8.292   7.357
  213   1HD2  ASN  54          1HD2      ASN  54  -4.648   9.153   4.336
  214   2HD2  ASN  54          2HD2      ASN  54  -6.183   9.543   5.110
  215    H    TYR  55           H        TYR  55  -0.243   8.815   5.739
  216    HA   TYR  55           HA       TYR  55   1.256   8.532   8.294
  217   1HB   TYR  55          2HB       TYR  55   0.773   6.297   6.313
  218   2HB   TYR  55          3HB       TYR  55   1.399   6.166   7.949
  219    HD1  TYR  55           HD1      TYR  55  -1.232   5.182   6.061
  220    HD2  TYR  55           HD2      TYR  55  -0.502   7.350   9.718
  221    HE1  TYR  55           HE1      TYR  55  -3.530   4.669   6.823
  222    HE2  TYR  55           HE2      TYR  55  -2.836   6.903  10.436
  223    HH   TYR  55           HH       TYR  55  -5.059   4.843   8.559
  224    H    SER  56           H        SER  56   3.518   8.553   7.923
  225    HA   SER  56           HA       SER  56   4.405   9.609   5.356
  226   1HB   SER  56          2HB       SER  56   6.612   9.650   6.465
  227   2HB   SER  56          3HB       SER  56   5.364  10.328   7.528
  228    HG   SER  56           HG       SER  56   5.310   8.393   8.664
  229    H    GLU  57           H        GLU  57   6.398   8.579   4.242
  230    HA   GLU  57           HA       GLU  57   5.923   6.033   3.224
  231   1HB   GLU  57          2HB       GLU  57   7.624   7.663   2.311
  232   2HB   GLU  57          3HB       GLU  57   8.657   7.281   3.697
  233   1HG   GLU  57          2HG       GLU  57   8.336   4.761   2.827
  234   2HG   GLU  57          3HG       GLU  57   7.961   5.586   1.318
  235    H    GLU  58           H        GLU  58   8.141   6.891   5.960
  236    HA   GLU  58           HA       GLU  58   8.932   4.291   6.583
  237   1HB   GLU  58          2HB       GLU  58   8.754   6.855   8.184
  238   2HB   GLU  58          3HB       GLU  58   9.184   5.336   8.984
  239   1HG   GLU  58          2HG       GLU  58  11.031   4.952   7.441
  240   2HG   GLU  58          3HG       GLU  58  10.645   6.429   6.544
  241    H    GLU  59           H        GLU  59   5.760   5.727   7.226
  242    HA   GLU  59           HA       GLU  59   5.079   3.593   9.170
  243   1HB   GLU  59          2HB       GLU  59   3.578   5.950   8.010
  244   2HB   GLU  59          3HB       GLU  59   2.890   4.800   9.178
  245   1HG   GLU  59          2HG       GLU  59   4.417   5.489  10.892
  246   2HG   GLU  59          3HG       GLU  59   5.416   6.404   9.756
  247    H    ILE  60           H        ILE  60   4.223   4.714   5.843
  248    HA   ILE  60           HA       ILE  60   2.219   2.727   5.416
  249    HB   ILE  60           HB       ILE  60   3.853   4.251   3.395
  250   1HG1  ILE  60          2HG1      ILE  60   1.047   4.642   4.526
  251   2HG1  ILE  60          3HG1      ILE  60   2.464   5.576   4.957
  252   1HG2  ILE  60          1HG2      ILE  60   2.781   3.120   1.741
  253   2HG2  ILE  60          2HG2      ILE  60   2.165   1.966   2.924
  254   3HG2  ILE  60          3HG2      ILE  60   1.201   3.348   2.488
  255   1HD1  ILE  60          1HD1      ILE  60   1.134   5.496   2.219
  256   2HD1  ILE  60          2HD1      ILE  60   1.262   6.845   3.349
  257   3HD1  ILE  60          3HD1      ILE  60   2.717   6.255   2.529
  258    H    LEU  61           H        LEU  61   5.696   2.896   4.597
  259    HA   LEU  61           HA       LEU  61   5.944   0.438   3.278
  260   1HB   LEU  61          2HB       LEU  61   7.701   2.175   3.294
  261   2HB   LEU  61          3HB       LEU  61   7.956   1.925   5.020
  262    HG   LEU  61           HG       LEU  61   8.835  -0.281   4.655
  263   1HD1  LEU  61          1HD1      LEU  61   8.026   0.100   1.741
  264   2HD1  LEU  61          2HD1      LEU  61   9.154  -1.160   2.287
  265   3HD1  LEU  61          3HD1      LEU  61   7.480  -1.175   2.846
  266   1HD2  LEU  61          1HD2      LEU  61  10.044   1.494   2.502
  267   2HD2  LEU  61          2HD2      LEU  61  10.282   1.768   4.238
  268   3HD2  LEU  61          3HD2      LEU  61  10.854   0.263   3.495
  269    H    ASP  62           H        ASP  62   6.346   1.265   6.760
  270    HA   ASP  62           HA       ASP  62   6.766  -1.285   7.780
  271   1HB   ASP  62          2HB       ASP  62   6.200   1.263   8.861
  272   2HB   ASP  62          3HB       ASP  62   4.886   0.259   9.444
  273    H    ILE  63           H        ILE  63   3.577   0.347   7.268
  274    HA   ILE  63           HA       ILE  63   2.047  -1.971   7.990
  275    HB   ILE  63           HB       ILE  63   1.313   0.263   6.070
  276   1HG1  ILE  63          2HG1      ILE  63   0.207  -0.033   8.814
  277   2HG1  ILE  63          3HG1      ILE  63   1.811   0.678   8.599
  278   1HG2  ILE  63          1HG2      ILE  63  -0.119  -1.626   5.550
  279   2HG2  ILE  63          2HG2      ILE  63  -0.431  -1.892   7.278
  280   3HG2  ILE  63          3HG2      ILE  63  -1.029  -0.440   6.477
  281   1HD1  ILE  63          1HD1      ILE  63   1.038   2.487   7.320
  282   2HD1  ILE  63          2HD1      ILE  63  -0.533   1.739   7.017
  283   3HD1  ILE  63          3HD1      ILE  63  -0.126   2.335   8.640
  284    H    ILE  64           H        ILE  64   3.354  -1.103   4.744
  285    HA   ILE  64           HA       ILE  64   2.135  -3.329   3.416
  286    HB   ILE  64           HB       ILE  64   4.653  -1.757   2.771
  287   1HG1  ILE  64          2HG1      ILE  64   1.939  -1.612   1.424
  288   2HG1  ILE  64          3HG1      ILE  64   2.242  -0.649   2.855
  289   1HG2  ILE  64          1HG2      ILE  64   4.248  -2.660   0.429
  290   2HG2  ILE  64          2HG2      ILE  64   4.785  -3.881   1.588
  291   3HG2  ILE  64          3HG2      ILE  64   3.073  -3.785   1.138
  292   1HD1  ILE  64          1HD1      ILE  64   3.857  -0.443   0.286
  293   2HD1  ILE  64          2HD1      ILE  64   2.678   0.718   0.918
  294   3HD1  ILE  64          3HD1      ILE  64   4.181   0.438   1.793
  295    H    LEU  65           H        LEU  65   5.160  -3.004   5.250
  296    HA   LEU  65           HA       LEU  65   6.122  -5.652   4.687
  297   1HB   LEU  65          2HB       LEU  65   6.842  -3.607   6.805
  298   2HB   LEU  65          3HB       LEU  65   7.682  -5.140   6.623
  299    HG   LEU  65           HG       LEU  65   7.479  -3.129   4.343
  300   1HD1  LEU  65          1HD1      LEU  65   9.655  -3.459   6.455
  301   2HD1  LEU  65          2HD1      LEU  65   9.774  -2.440   5.006
  302   3HD1  LEU  65          3HD1      LEU  65   8.583  -2.059   6.264
  303   1HD2  LEU  65          1HD2      LEU  65   9.478  -4.327   3.517
  304   2HD2  LEU  65          2HD2      LEU  65   9.344  -5.480   4.861
  305   3HD2  LEU  65          3HD2      LEU  65   8.076  -5.398   3.614
  306    H    ASN  66           H        ASN  66   3.937  -4.428   7.415
  307    HA   ASN  66           HA       ASN  66   4.133  -7.154   8.591
  308   1HB   ASN  66          2HB       ASN  66   3.914  -5.949  10.739
  309   2HB   ASN  66          3HB       ASN  66   5.514  -5.917  10.004
  310   1HD2  ASN  66          1HD2      ASN  66   6.485  -3.982  10.344
  311   2HD2  ASN  66          2HD2      ASN  66   5.676  -2.453  10.557
  312    H    GLY  67           H        GLY  67   2.498  -5.980   6.757
  313   1HA   GLY  67          1HA       GLY  67   0.316  -5.186   6.212
  314   2HA   GLY  67          2HA       GLY  67  -0.105  -6.688   6.878
  315    H    GLN  68           H        GLN  68  -2.007  -6.057   8.125
  316    HA   GLN  68           HA       GLN  68  -1.908  -4.615  10.519
  317   1HB   GLN  68          2HB       GLN  68  -1.536  -2.525   9.261
  318   2HB   GLN  68          3HB       GLN  68  -2.840  -2.869   8.162
  319   1HG   GLN  68          2HG       GLN  68  -3.936  -1.454   9.626
  320   2HG   GLN  68          3HG       GLN  68  -4.207  -2.847  10.597
  321   1HE2  GLN  68          1HE2      GLN  68  -3.011   0.292  10.711
  322   2HE2  GLN  68          2HE2      GLN  68  -1.939   0.102  12.092
  323    H    GLY  69           H        GLY  69  -4.026  -4.930  11.606
  324   1HA   GLY  69          1HA       GLY  69  -5.803  -6.213  11.935
  325   2HA   GLY  69          2HA       GLY  69  -6.479  -5.184  10.706
  326    H    GLY  70           H        GLY  70  -7.296  -6.154   8.869
  327   1HA   GLY  70          1HA       GLY  70  -7.175  -9.064   8.545
  328   2HA   GLY  70          2HA       GLY  70  -8.059  -7.887   7.566
  329    H    MET  71           H        MET  71  -5.371  -6.351   7.333
  330    HA   MET  71           HA       MET  71  -4.673  -7.322   4.741
  331   1HB   MET  71          1HB       MET  71  -4.582  -4.943   5.575
  332   2HB   MET  71          2HB       MET  71  -3.166  -5.348   6.492
  333   1HG   MET  71          1HG       MET  71  -1.900  -5.986   4.669
  334   2HG   MET  71          2HG       MET  71  -3.206  -5.820   3.520
  335   1HE   MET  71          1HE       MET  71  -0.959  -4.746   2.532
  336   2HE   MET  71          2HE       MET  71  -0.232  -3.196   3.056
  337   3HE   MET  71          3HE       MET  71  -0.081  -4.655   4.059
  338    HA   PRO  72           HA       PRO  72  -1.697 -10.217   6.587
  339   1HB   PRO  72          2HB       PRO  72  -0.878 -11.507   4.296
  340   2HB   PRO  72          3HB       PRO  72  -2.350 -11.823   5.254
  341   1HG   PRO  72          2HG       PRO  72  -2.009 -10.282   2.664
  342   2HG   PRO  72          3HG       PRO  72  -3.382 -11.323   3.125
  343   1HD   PRO  72          2HD       PRO  72  -3.315  -8.508   3.308
  344   2HD   PRO  72          3HD       PRO  72  -4.422  -9.538   4.219
  345    H    GLY  73           H        GLY  73   0.148  -9.434   7.214
  346   1HA   GLY  73          1HA       GLY  73   1.674  -7.602   5.848
  347   2HA   GLY  73          2HA       GLY  73   2.330  -8.590   7.203
  348    H    GLY  74           H        GLY  74   3.247  -7.336   4.606
  349   1HA   GLY  74          1HA       GLY  74   5.206  -7.937   3.426
  350   2HA   GLY  74          2HA       GLY  74   4.997  -9.623   3.922
  351    H    ILE  75           H        ILE  75   2.565  -7.647   2.352
  352    HA   ILE  75           HA       ILE  75   1.960  -9.500   0.265
  353    HB   ILE  75           HB       ILE  75   1.089  -6.826   1.303
  354   1HG1  ILE  75          2HG1      ILE  75  -0.595  -8.982   0.044
  355   2HG1  ILE  75          3HG1      ILE  75   0.092  -9.180   1.660
  356   1HG2  ILE  75          1HG2      ILE  75  -0.220  -6.309  -0.781
  357   2HG2  ILE  75          2HG2      ILE  75   1.479  -6.277  -1.182
  358   3HG2  ILE  75          3HG2      ILE  75   0.494  -7.696  -1.597
  359   1HD1  ILE  75          1HD1      ILE  75  -1.423  -6.657   0.962
  360   2HD1  ILE  75          2HD1      ILE  75  -2.263  -8.124   1.457
  361   3HD1  ILE  75          3HD1      ILE  75  -1.094  -7.330   2.546
  362    H    ALA  76           H        ALA  76   3.734  -6.420   0.221
  363    HA   ALA  76           HA       ALA  76   5.362  -7.366  -2.078
  364   1HB   ALA  76          1HB       ALA  76   5.837  -4.867  -2.373
  365   2HB   ALA  76          2HB       ALA  76   4.193  -5.367  -2.808
  366   3HB   ALA  76          3HB       ALA  76   4.495  -4.553  -1.258
  367    H    LYS  77           H        LYS  77   7.647  -7.033  -1.758
  368    HA   LYS  77           HA       LYS  77   8.652  -6.090   0.839
  369   1HB   LYS  77          2HB       LYS  77   8.868  -8.941  -0.195
  370   2HB   LYS  77          3HB       LYS  77  10.129  -8.271   0.837
  371   1HG   LYS  77          2HG       LYS  77   8.847  -8.241   2.736
  372   2HG   LYS  77          3HG       LYS  77   7.377  -7.880   1.876
  373   1HD   LYS  77          2HD       LYS  77   6.863  -9.987   2.554
  374   2HD   LYS  77          3HD       LYS  77   7.418 -10.262   0.922
  375   1HE   LYS  77          2HE       LYS  77   8.333 -11.970   2.332
  376   2HE   LYS  77          3HE       LYS  77   9.687 -10.925   1.872
  377   1HZ   LYS  77          1HZ       LYS  77   9.586 -11.549   4.250
  378   2HZ   LYS  77          2HZ       LYS  77   9.585  -9.921   4.026
  379   3HZ   LYS  77          3HZ       LYS  77   8.189 -10.701   4.414
  380    H    GLY  78           H        GLY  78  11.050  -5.844   0.712
  381   1HA   GLY  78          1HA       GLY  78  12.920  -5.054  -0.376
  382   2HA   GLY  78          2HA       GLY  78  12.438  -6.001  -1.797
  383    H    ALA  79           H        ALA  79  13.272  -4.074  -2.953
  384    HA   ALA  79           HA       ALA  79  12.351  -1.511  -2.838
  385   1HB   ALA  79          1HB       ALA  79  13.035  -1.260  -5.154
  386   2HB   ALA  79          2HB       ALA  79  14.182  -2.314  -4.307
  387   3HB   ALA  79          3HB       ALA  79  12.973  -3.016  -5.410
  388    H    GLU  80           H        GLU  80  10.614  -4.266  -4.091
  389    HA   GLU  80           HA       GLU  80   8.502  -3.190  -5.546
  390   1HB   GLU  80          2HB       GLU  80   9.193  -5.655  -4.648
  391   2HB   GLU  80          3HB       GLU  80   7.987  -5.281  -3.418
  392   1HG   GLU  80          2HG       GLU  80   6.311  -4.992  -5.168
  393   2HG   GLU  80          3HG       GLU  80   7.531  -5.302  -6.416
  394    H    ALA  81           H        ALA  81   8.757  -3.612  -2.000
  395    HA   ALA  81           HA       ALA  81   6.257  -2.235  -1.428
  396   1HB   ALA  81          1HB       ALA  81   6.901  -2.532   0.908
  397   2HB   ALA  81          2HB       ALA  81   7.125  -4.040   0.013
  398   3HB   ALA  81          3HB       ALA  81   8.534  -3.049   0.433
  399    H    GLU  82           H        GLU  82   9.754  -1.479  -1.135
  400    HA   GLU  82           HA       GLU  82   9.498   1.007   0.162
  401   1HB   GLU  82          2HB       GLU  82  11.625   0.278  -1.886
  402   2HB   GLU  82          3HB       GLU  82  11.747   1.473  -0.611
  403   1HG   GLU  82          2HG       GLU  82  11.479  -0.314   1.112
  404   2HG   GLU  82          3HG       GLU  82  11.490  -1.537  -0.158
  405    H    ALA  83           H        ALA  83   9.637   0.304  -3.340
  406    HA   ALA  83           HA       ALA  83   9.338   2.939  -4.307
  407   1HB   ALA  83          1HB       ALA  83   8.367   0.318  -5.535
  408   2HB   ALA  83          2HB       ALA  83   8.579   1.863  -6.386
  409   3HB   ALA  83          3HB       ALA  83   9.988   1.026  -5.720
  410    H    VAL  84           H        VAL  84   6.817   0.409  -3.655
  411    HA   VAL  84           HA       VAL  84   4.571   1.977  -4.296
  412    HB   VAL  84           HB       VAL  84   4.849  -0.163  -2.161
  413   1HG1  VAL  84          1HG1      VAL  84   2.341  -0.332  -2.552
  414   2HG1  VAL  84          2HG1      VAL  84   2.874   1.080  -1.613
  415   3HG1  VAL  84          3HG1      VAL  84   2.446   1.261  -3.321
  416   1HG2  VAL  84          1HG2      VAL  84   4.700  -1.644  -3.792
  417   2HG2  VAL  84          2HG2      VAL  84   3.320  -0.850  -4.553
  418   3HG2  VAL  84          3HG2      VAL  84   4.963  -0.360  -4.983
  419    H    ALA  85           H        ALA  85   6.023   1.568  -1.064
  420    HA   ALA  85           HA       ALA  85   4.474   3.377   0.343
  421   1HB   ALA  85          1HB       ALA  85   6.290   3.524   1.950
  422   2HB   ALA  85          2HB       ALA  85   6.136   1.852   1.357
  423   3HB   ALA  85          3HB       ALA  85   7.451   2.890   0.768
  424    H    ALA  86           H        ALA  86   7.606   4.161  -1.281
  425    HA   ALA  86           HA       ALA  86   7.517   6.938  -0.605
  426   1HB   ALA  86          1HB       ALA  86   9.186   7.138  -2.516
  427   2HB   ALA  86          2HB       ALA  86   9.603   6.004  -1.220
  428   3HB   ALA  86          3HB       ALA  86   8.982   5.388  -2.767
  429    H    TRP  87           H        TRP  87   6.406   5.203  -3.525
  430    HA   TRP  87           HA       TRP  87   5.610   7.475  -5.048
  431   1HB   TRP  87          2HB       TRP  87   5.924   5.244  -5.921
  432   2HB   TRP  87          3HB       TRP  87   4.636   4.615  -4.898
  433    HD1  TRP  87           HD1      TRP  87   5.141   6.778  -8.011
  434    HE1  TRP  87           HE1      TRP  87   3.108   6.506  -9.542
  435    HE3  TRP  87           HE3      TRP  87   2.174   4.098  -4.871
  436    HZ2  TRP  87           HZ2      TRP  87   0.471   5.274  -9.393
  437    HZ3  TRP  87           HZ3      TRP  87  -0.159   3.517  -5.522
  438    HH2  TRP  87           HH2      TRP  87  -0.940   3.934  -7.842
  439    H    LEU  88           H        LEU  88   3.720   5.340  -2.861
  440    HA   LEU  88           HA       LEU  88   1.400   7.012  -2.894
  441   1HB   LEU  88          2HB       LEU  88   2.275   4.639  -1.317
  442   2HB   LEU  88          3HB       LEU  88   1.186   5.721  -0.480
  443    HG   LEU  88           HG       LEU  88   0.209   5.309  -3.226
  444   1HD1  LEU  88          1HD1      LEU  88  -0.429   2.998  -2.987
  445   2HD1  LEU  88          2HD1      LEU  88   1.338   3.202  -3.058
  446   3HD1  LEU  88          3HD1      LEU  88   0.554   2.856  -1.498
  447   1HD2  LEU  88          1HD2      LEU  88  -1.835   4.762  -2.048
  448   2HD2  LEU  88          2HD2      LEU  88  -0.954   4.566  -0.520
  449   3HD2  LEU  88          3HD2      LEU  88  -1.090   6.179  -1.273
  450    H    ALA  89           H        ALA  89   4.334   7.210  -0.889
  451    HA   ALA  89           HA       ALA  89   3.357   9.096   0.962
  452   1HB   ALA  89          1HB       ALA  89   5.621   8.014   0.993
  453   2HB   ALA  89          2HB       ALA  89   6.136   9.202  -0.229
  454   3HB   ALA  89          3HB       ALA  89   5.582   9.749   1.353
  455    H    GLU  90           H        GLU  90   4.315   9.432  -2.440
  456    HA   GLU  90           HA       GLU  90   3.922  12.301  -2.475
  457   1HB   GLU  90          2HB       GLU  90   5.291  10.561  -4.086
  458   2HB   GLU  90          3HB       GLU  90   3.833  10.808  -5.052
  459   1HG   GLU  90          2HG       GLU  90   4.211  13.265  -4.950
  460   2HG   GLU  90          3HG       GLU  90   5.605  13.010  -3.879
  461    H    LYS  91           H        LYS  91   1.837   9.429  -3.121
  462    HA   LYS  91           HA       LYS  91  -0.247  11.068  -4.340
  463   1HB   LYS  91          2HB       LYS  91  -0.375   8.225  -3.297
  464   2HB   LYS  91          3HB       LYS  91  -1.614   9.012  -4.248
  465   1HG   LYS  91          2HG       LYS  91   0.243   9.465  -6.033
  466   2HG   LYS  91          3HG       LYS  91   1.216   8.332  -5.107
  467   1HD   LYS  91          2HD       LYS  91   0.301   6.918  -6.616
  468   2HD   LYS  91          3HD       LYS  91  -0.849   6.725  -5.296
  469   1HE   LYS  91          2HE       LYS  91  -1.808   8.915  -6.923
  470   2HE   LYS  91          3HE       LYS  91  -1.201   7.706  -8.059
  471   1HZ   LYS  91          1HZ       LYS  91  -2.649   6.099  -6.925
  472   2HZ   LYS  91          2HZ       LYS  91  -3.268   7.318  -5.996
  473   3HZ   LYS  91          3HZ       LYS  91  -3.481   7.333  -7.621
  474    H    LYS  92           H        LYS  92  -1.962  12.139  -3.379
  475    HA   LYS  92           HA       LYS  92  -2.624  11.808  -0.570
  476   1HB   LYS  92          2HB       LYS  92  -1.403  14.316  -1.785
  477   2HB   LYS  92          3HB       LYS  92  -2.327  14.285  -0.270
  478   1HG   LYS  92          2HG       LYS  92  -0.700  12.784   0.759
  479   2HG   LYS  92          3HG       LYS  92   0.224  12.672  -0.729
  480   1HD   LYS  92          2HD       LYS  92  -0.192  15.477  -0.083
  481   2HD   LYS  92          3HD       LYS  92   0.480  14.642   1.330
  482   1HE   LYS  92          2HE       LYS  92   2.365  13.805   0.061
  483   2HE   LYS  92          3HE       LYS  92   1.640  14.301  -1.479
  484   1HZ   LYS  92          1HZ       LYS  92   2.524  16.179   0.593
  485   2HZ   LYS  92          2HZ       LYS  92   3.357  15.780  -0.772
  486   3HZ   LYS  92          3HZ       LYS  92   1.912  16.553  -0.895
  487    HHA  HEC  93           HHA      HEC  93  -5.033  -0.424   6.327
  488    HHB  HEC  93           HHB      HEC  93  -0.489   0.679   1.972
  489    HHC  HEC  93           HHC      HEC  93  -1.953  -4.987  -0.806
  490    HHD  HEC  93           HHD      HEC  93  -6.917  -5.671   3.172
  491   1HMA  HEC  93          1HMA      HEC  93  -1.149   2.817   3.260
  492   2HMA  HEC  93          2HMA      HEC  93  -1.096   2.888   5.019
  493   3HMA  HEC  93          3HMA      HEC  93   0.032   1.844   4.166
  494   1HAA  HEC  93          1HAA      HEC  93  -4.269   1.986   6.272
  495   2HAA  HEC  93          2HAA      HEC  93  -2.624   2.494   6.483
  496   1HBA  HEC  93          1HBA      HEC  93  -2.231   1.083   8.230
  497   2HBA  HEC  93          2HBA      HEC  93  -3.138  -0.244   7.544
  498   1HMB  HEC  93          1HMB      HEC  93   1.436  -0.569  -0.584
  499   2HMB  HEC  93          2HMB      HEC  93   0.067   0.045  -1.538
  500   3HMB  HEC  93          3HMB      HEC  93   0.397   0.705   0.039
  501    HAB  HEC  93           HAB      HEC  93  -0.412  -4.144  -1.915
  502   1HBB  HEC  93          1HBB      HEC  93   2.061  -2.499  -1.362
  503   2HBB  HEC  93          2HBB      HEC  93   1.668  -4.063  -0.629
  504   3HBB  HEC  93          3HBB      HEC  93   1.900  -3.931  -2.383
  505   1HMC  HEC  93          1HMC      HEC  93  -4.134  -8.018  -0.768
  506   2HMC  HEC  93          2HMC      HEC  93  -4.315  -6.579  -1.791
  507   3HMC  HEC  93          3HMC      HEC  93  -2.735  -7.011  -1.111
  508    HAC  HEC  93           HAC      HEC  93  -7.215  -7.006   1.560
  509   1HBC  HEC  93          1HBC      HEC  93  -6.796  -9.379   1.303
  510   2HBC  HEC  93          2HBC      HEC  93  -5.091  -9.074   0.916
  511   3HBC  HEC  93          3HBC      HEC  93  -5.735  -8.642   2.512
  512   1HMD  HEC  93          1HMD      HEC  93  -8.848  -4.107   5.973
  513   2HMD  HEC  93          2HMD      HEC  93  -8.481  -5.195   4.644
  514   3HMD  HEC  93          3HMD      HEC  93  -7.651  -5.389   6.202
  515   1HAD  HEC  93          1HAD      HEC  93  -8.164  -2.261   7.068
  516   2HAD  HEC  93          2HAD      HEC  93  -6.895  -1.073   7.217
  517   1HBD  HEC  93          1HBD      HEC  93  -6.014  -2.143   8.933
  518   2HBD  HEC  93          2HBD      HEC  93  -5.768  -3.599   7.962
  Start of MODEL    4
    1   1H    VAL  22          H1        VAL  22  11.822   0.128 -11.179
    2   2H    VAL  22          H2        VAL  22  12.457  -0.262  -9.732
    3   3H    VAL  22          H3        VAL  22  12.563  -1.359 -10.977
    4    HA   VAL  22           HA       VAL  22  10.413  -1.994 -10.805
    5    HB   VAL  22           HB       VAL  22  11.273  -0.906  -8.099
    6   1HG1  VAL  22          1HG1      VAL  22   8.640  -2.365  -8.510
    7   2HG1  VAL  22          2HG1      VAL  22   9.426  -1.895  -6.987
    8   3HG1  VAL  22          3HG1      VAL  22   8.812  -0.649  -8.047
    9   1HG2  VAL  22          1HG2      VAL  22  11.299  -3.321  -7.524
   10   2HG2  VAL  22          2HG2      VAL  22  10.710  -3.721  -9.145
   11   3HG2  VAL  22          3HG2      VAL  22  12.318  -2.996  -8.936
   12    H    ASP  23           H        ASP  23   8.135  -1.358 -10.602
   13    HA   ASP  23           HA       ASP  23   7.685   1.573 -10.958
   14   1HB   ASP  23          2HB       ASP  23   7.480   0.450 -13.079
   15   2HB   ASP  23          3HB       ASP  23   6.467  -0.813 -12.386
   16    H    ALA  24           H        ALA  24   6.868   2.175  -9.062
   17    HA   ALA  24           HA       ALA  24   5.616   0.643  -7.069
   18   1HB   ALA  24          1HB       ALA  24   5.281   3.573  -7.853
   19   2HB   ALA  24          2HB       ALA  24   4.681   2.851  -6.353
   20   3HB   ALA  24          3HB       ALA  24   6.429   2.909  -6.670
   21    H    GLU  25           H        GLU  25   4.197   2.194 -10.013
   22    HA   GLU  25           HA       GLU  25   1.486   1.998  -8.998
   23   1HB   GLU  25          2HB       GLU  25   2.284   2.430 -11.893
   24   2HB   GLU  25          3HB       GLU  25   0.820   2.910 -11.032
   25   1HG   GLU  25          2HG       GLU  25   2.727   4.230  -9.557
   26   2HG   GLU  25          3HG       GLU  25   3.559   4.164 -11.104
   27    H    ALA  26           H        ALA  26   3.597   0.306 -11.328
   28    HA   ALA  26           HA       ALA  26   1.807  -1.759 -12.103
   29   1HB   ALA  26          1HB       ALA  26   3.734  -3.049 -12.747
   30   2HB   ALA  26          2HB       ALA  26   4.036  -1.347 -13.154
   31   3HB   ALA  26          3HB       ALA  26   4.796  -2.084 -11.715
   32    H    VAL  27           H        VAL  27   4.113  -1.659  -9.322
   33    HA   VAL  27           HA       VAL  27   3.468  -4.246  -8.317
   34    HB   VAL  27           HB       VAL  27   4.358  -1.744  -6.832
   35   1HG1  VAL  27          1HG1      VAL  27   4.966  -3.358  -5.001
   36   2HG1  VAL  27          2HG1      VAL  27   3.214  -3.318  -5.252
   37   3HG1  VAL  27          3HG1      VAL  27   4.158  -4.637  -5.924
   38   1HG2  VAL  27          1HG2      VAL  27   6.012  -2.665  -8.472
   39   2HG2  VAL  27          2HG2      VAL  27   6.543  -2.886  -6.803
   40   3HG2  VAL  27          3HG2      VAL  27   5.859  -4.249  -7.719
   41    H    VAL  28           H        VAL  28   2.067  -1.042  -7.362
   42    HA   VAL  28           HA       VAL  28   0.178  -2.132  -5.605
   43    HB   VAL  28           HB       VAL  28   0.168   0.412  -7.262
   44   1HG1  VAL  28          1HG1      VAL  28  -1.597   1.361  -6.131
   45   2HG1  VAL  28          2HG1      VAL  28  -2.199  -0.270  -6.333
   46   3HG1  VAL  28          3HG1      VAL  28  -1.526   0.243  -4.777
   47   1HG2  VAL  28          1HG2      VAL  28   1.740   1.019  -5.741
   48   2HG2  VAL  28          2HG2      VAL  28   0.528   0.922  -4.464
   49   3HG2  VAL  28          3HG2      VAL  28   1.517  -0.481  -4.834
   50    H    GLN  29           H        GLN  29  -0.174  -1.456  -9.034
   51    HA   GLN  29           HA       GLN  29  -2.788  -2.286  -9.534
   52   1HB   GLN  29          2HB       GLN  29  -0.270  -2.361 -11.179
   53   2HB   GLN  29          3HB       GLN  29  -1.810  -2.920 -11.814
   54   1HG   GLN  29          2HG       GLN  29  -1.515  -0.135 -10.590
   55   2HG   GLN  29          3HG       GLN  29  -1.101  -0.472 -12.271
   56   1HE2  GLN  29          1HE2      GLN  29  -3.749   0.055 -10.026
   57   2HE2  GLN  29          2HE2      GLN  29  -5.008  -0.073 -11.230
   58    H    GLN  30           H        GLN  30  -0.029  -4.357  -8.689
   59    HA   GLN  30           HA       GLN  30  -1.956  -6.596  -8.718
   60   1HB   GLN  30          2HB       GLN  30   0.777  -6.686 -10.056
   61   2HB   GLN  30          3HB       GLN  30  -0.140  -8.120  -9.551
   62   1HG   GLN  30          2HG       GLN  30  -2.074  -7.342 -10.938
   63   2HG   GLN  30          3HG       GLN  30  -1.057  -6.026 -11.549
   64   1HE2  GLN  30          1HE2      GLN  30  -0.521  -9.577 -10.973
   65   2HE2  GLN  30          2HE2      GLN  30   0.075  -9.874 -12.597
   66    H    LYS  31           H        LYS  31  -1.563  -5.290  -6.534
   67    HA   LYS  31           HA       LYS  31  -0.828  -7.426  -4.834
   68   1HB   LYS  31          2HB       LYS  31   1.340  -5.484  -5.285
   69   2HB   LYS  31          3HB       LYS  31   0.913  -5.617  -3.601
   70   1HG   LYS  31          2HG       LYS  31   1.425  -7.905  -3.471
   71   2HG   LYS  31          3HG       LYS  31   1.453  -8.140  -5.202
   72   1HD   LYS  31          2HD       LYS  31   3.316  -6.034  -4.256
   73   2HD   LYS  31          3HD       LYS  31   3.654  -7.615  -3.578
   74   1HE   LYS  31          2HE       LYS  31   3.170  -7.595  -6.545
   75   2HE   LYS  31          3HE       LYS  31   4.591  -6.711  -6.008
   76   1HZ   LYS  31          1HZ       LYS  31   5.082  -8.986  -6.483
   77   2HZ   LYS  31          2HZ       LYS  31   5.527  -8.461  -5.021
   78   3HZ   LYS  31          3HZ       LYS  31   4.200  -9.466  -5.155
   79    H    CYS  32           H        CYS  32  -1.459  -3.888  -5.124
   80    HA   CYS  32           HA       CYS  32  -2.722  -3.984  -2.426
   81   1HB   CYS  32          2HB       CYS  32  -2.416  -1.536  -4.077
   82   2HB   CYS  32          3HB       CYS  32  -2.574  -1.689  -2.329
   83    H    ILE  33           H        ILE  33  -3.414  -2.987  -5.772
   84    HA   ILE  33           HA       ILE  33  -6.042  -2.207  -5.232
   85    HB   ILE  33           HB       ILE  33  -6.475  -2.288  -7.570
   86   1HG1  ILE  33          2HG1      ILE  33  -4.742  -2.966  -9.192
   87   2HG1  ILE  33          3HG1      ILE  33  -3.987  -3.958  -7.912
   88   1HG2  ILE  33          1HG2      ILE  33  -3.601  -1.478  -7.566
   89   2HG2  ILE  33          2HG2      ILE  33  -5.022  -0.575  -8.093
   90   3HG2  ILE  33          3HG2      ILE  33  -4.654  -0.746  -6.361
   91   1HD1  ILE  33          1HD1      ILE  33  -6.911  -4.323  -8.621
   92   2HD1  ILE  33          2HD1      ILE  33  -5.660  -4.887  -9.744
   93   3HD1  ILE  33          3HD1      ILE  33  -5.709  -5.543  -8.112
   94    H    SER  34           H        SER  34  -4.791  -5.443  -5.696
   95    HA   SER  34           HA       SER  34  -6.855  -7.085  -6.153
   96   1HB   SER  34          2HB       SER  34  -4.951  -7.333  -3.790
   97   2HB   SER  34          3HB       SER  34  -5.686  -8.643  -4.736
   98    HG   SER  34           HG       SER  34  -3.652  -8.317  -5.585
   99    H    CYS  35           H        CYS  35  -6.414  -5.116  -3.209
  100    HA   CYS  35           HA       CYS  35  -9.174  -5.897  -2.354
  101   1HB   CYS  35          2HB       CYS  35  -6.985  -4.942  -0.513
  102   2HB   CYS  35          3HB       CYS  35  -8.542  -5.680  -0.086
  103    H    HIS  36           HN       HIS  36  -6.676  -3.319  -2.395
  104    HA   HIS  36           HA       HIS  36  -8.445  -1.268  -1.426
  105   1HB   HIS  36          2HB       HIS  36  -5.682  -1.291  -2.700
  106   2HB   HIS  36          3HB       HIS  36  -6.489   0.178  -2.190
  107    HD1  HIS  36           HD1      HIS  36  -7.173   0.292   0.487
  108    HD2  HIS  36           HD2      HIS  36  -4.399  -2.613  -0.715
  109    HE1  HIS  36           1HE      HIS  36  -5.972  -0.443   2.596
  110    H    GLY  37           H        GLY  37  -8.350  -2.729  -4.507
  111   1HA   GLY  37          1HA       GLY  37  -9.895  -2.343  -6.152
  112   2HA   GLY  37          2HA       GLY  37 -10.237  -0.714  -5.537
  113    H    GLY  38           H        GLY  38  -9.583  -1.584  -8.302
  114   1HA   GLY  38          1HA       GLY  38  -7.060  -1.073  -9.308
  115   2HA   GLY  38          2HA       GLY  38  -8.560  -0.579 -10.085
  116    H    ASP  39           H        ASP  39  -9.440   1.270  -8.116
  117    HA   ASP  39           HA       ASP  39  -7.804   3.578  -8.958
  118   1HB   ASP  39          2HB       ASP  39 -10.635   3.278  -7.904
  119   2HB   ASP  39          3HB       ASP  39  -9.862   4.838  -8.235
  120    H    LEU  40           H        LEU  40  -7.861   1.567  -6.108
  121    HA   LEU  40           HA       LEU  40  -6.844   1.851  -4.223
  122   1HB   LEU  40          2HB       LEU  40  -6.025   4.692  -4.764
  123   2HB   LEU  40          3HB       LEU  40  -5.168   3.434  -3.889
  124    HG   LEU  40           HG       LEU  40  -5.484   3.539  -6.946
  125   1HD1  LEU  40          1HD1      LEU  40  -4.083   5.265  -6.123
  126   2HD1  LEU  40          2HD1      LEU  40  -3.079   4.086  -5.218
  127   3HD1  LEU  40          3HD1      LEU  40  -3.163   4.034  -7.000
  128   1HD2  LEU  40          1HD2      LEU  40  -5.396   1.248  -6.114
  129   2HD2  LEU  40          2HD2      LEU  40  -3.927   1.686  -6.996
  130   3HD2  LEU  40          3HD2      LEU  40  -3.909   1.609  -5.211
  131    H    THR  41           H        THR  41  -9.597   2.942  -4.932
  132    HA   THR  41           HA       THR  41 -10.176   5.145  -3.104
  133    HB   THR  41           HB       THR  41 -12.478   4.649  -4.305
  134    HG1  THR  41           1HG      THR  41 -12.068   3.531  -6.306
  135   1HG2  THR  41          1HG2      THR  41 -11.106   6.599  -4.886
  136   2HG2  THR  41          2HG2      THR  41 -10.045   5.594  -5.885
  137   3HG2  THR  41          3HG2      THR  41 -11.733   5.844  -6.362
  138    H    GLY  42           H        GLY  42  -9.845   1.803  -2.858
  139   1HA   GLY  42          1HA       GLY  42 -10.272   0.563  -0.994
  140   2HA   GLY  42          2HA       GLY  42 -11.535   1.670  -0.431
  141    H    ALA  43           H        ALA  43 -11.397  -1.265  -1.100
  142    HA   ALA  43           HA       ALA  43 -13.968  -1.477  -2.578
  143   1HB   ALA  43          1HB       ALA  43 -11.406  -2.161  -3.792
  144   2HB   ALA  43          2HB       ALA  43 -12.408  -3.607  -3.656
  145   3HB   ALA  43          3HB       ALA  43 -13.032  -2.180  -4.491
  146    H    SER  44           H        SER  44 -11.503  -3.853  -1.651
  147    HA   SER  44           HA       SER  44 -13.391  -5.125   0.277
  148   1HB   SER  44          2HB       SER  44 -12.360  -6.562  -1.491
  149   2HB   SER  44          3HB       SER  44 -10.762  -6.155  -0.833
  150    HG   SER  44           HG       SER  44 -11.613  -6.956   1.215
  151    H    ALA  45           H        ALA  45 -11.365  -2.583   0.404
  152    HA   ALA  45           HA       ALA  45 -10.393  -3.026   3.091
  153   1HB   ALA  45          1HB       ALA  45  -8.396  -2.563   0.815
  154   2HB   ALA  45          2HB       ALA  45  -8.045  -2.960   2.501
  155   3HB   ALA  45          3HB       ALA  45  -8.752  -4.174   1.472
  156    HA   PRO  46           HA       PRO  46 -11.021   1.293   3.063
  157   1HB   PRO  46          2HB       PRO  46  -9.004   2.437   4.581
  158   2HB   PRO  46          3HB       PRO  46 -10.302   1.411   5.253
  159   1HG   PRO  46          2HG       PRO  46  -7.472   0.650   4.589
  160   2HG   PRO  46          3HG       PRO  46  -8.454   0.172   5.999
  161   1HD   PRO  46          2HD       PRO  46  -8.039  -1.362   3.786
  162   2HD   PRO  46          3HD       PRO  46  -9.508  -1.537   4.790
  163    H    ALA  47           H        ALA  47 -10.340   3.450   2.232
  164    HA   ALA  47           HA       ALA  47  -8.807   3.161  -0.220
  165   1HB   ALA  47          1HB       ALA  47  -9.944   5.635   1.131
  166   2HB   ALA  47          2HB       ALA  47  -9.399   5.484  -0.560
  167   3HB   ALA  47          3HB       ALA  47 -10.807   4.560   0.016
  168    H    ILE  48           H        ILE  48  -6.677   3.314  -0.393
  169    HA   ILE  48           HA       ILE  48  -5.054   4.700   1.702
  170    HB   ILE  48           HB       ILE  48  -3.165   3.389   0.870
  171   1HG1  ILE  48          2HG1      ILE  48  -5.160   1.891  -0.882
  172   2HG1  ILE  48          3HG1      ILE  48  -3.941   3.041  -1.452
  173   1HG2  ILE  48          1HG2      ILE  48  -4.368   2.658   2.802
  174   2HG2  ILE  48          2HG2      ILE  48  -5.615   1.874   1.822
  175   3HG2  ILE  48          3HG2      ILE  48  -3.965   1.233   1.837
  176   1HD1  ILE  48          1HD1      ILE  48  -2.168   1.579  -0.365
  177   2HD1  ILE  48          2HD1      ILE  48  -3.434   0.356  -0.148
  178   3HD1  ILE  48          3HD1      ILE  48  -3.001   0.892  -1.774
  179    H    ASP  49           H        ASP  49  -6.494   5.335  -1.221
  180    HA   ASP  49           HA       ASP  49  -4.683   6.363  -2.866
  181   1HB   ASP  49          2HB       ASP  49  -7.076   6.487  -3.285
  182   2HB   ASP  49          3HB       ASP  49  -7.272   7.702  -2.011
  183    H    LYS  50           H        LYS  50  -5.701   7.888   0.169
  184    HA   LYS  50           HA       LYS  50  -3.620   9.993  -0.042
  185   1HB   LYS  50          2HB       LYS  50  -6.222   9.974   1.565
  186   2HB   LYS  50          3HB       LYS  50  -5.047  11.289   1.478
  187   1HG   LYS  50          2HG       LYS  50  -6.141  12.126  -0.272
  188   2HG   LYS  50          3HG       LYS  50  -5.624  10.756  -1.231
  189   1HD   LYS  50          2HD       LYS  50  -7.891  10.599  -1.559
  190   2HD   LYS  50          3HD       LYS  50  -7.701   9.513  -0.190
  191   1HE   LYS  50          2HE       LYS  50  -9.549  10.898   0.417
  192   2HE   LYS  50          3HE       LYS  50  -8.187  11.579   1.319
  193   1HZ   LYS  50          1HZ       LYS  50  -7.950  13.184  -0.540
  194   2HZ   LYS  50          2HZ       LYS  50  -9.313  12.580  -1.217
  195   3HZ   LYS  50          3HZ       LYS  50  -9.394  13.319   0.252
  196    H    ALA  51           H        ALA  51  -2.983   7.323   0.679
  197    HA   ALA  51           HA       ALA  51  -2.760   7.018   3.494
  198   1HB   ALA  51          1HB       ALA  51  -2.300   5.206   1.932
  199   2HB   ALA  51          2HB       ALA  51  -0.887   6.079   1.293
  200   3HB   ALA  51          3HB       ALA  51  -0.917   5.499   2.983
  201    H    GLY  52           H        GLY  52  -0.522   8.605   1.106
  202   1HA   GLY  52          1HA       GLY  52   1.577   9.242   2.735
  203   2HA   GLY  52          2HA       GLY  52   1.009  10.254   1.396
  204    H    ALA  53           H        ALA  53  -1.495  11.020   2.515
  205    HA   ALA  53           HA       ALA  53  -0.729  13.248   4.205
  206   1HB   ALA  53          1HB       ALA  53  -3.351  13.255   4.554
  207   2HB   ALA  53          2HB       ALA  53  -2.659  13.711   3.002
  208   3HB   ALA  53          3HB       ALA  53  -3.341  12.082   3.225
  209    H    ASN  54           H        ASN  54  -2.052  10.003   4.834
  210    HA   ASN  54           HA       ASN  54  -2.728  10.593   7.627
  211   1HB   ASN  54          2HB       ASN  54  -2.711   8.053   5.933
  212   2HB   ASN  54          3HB       ASN  54  -2.935   8.045   7.678
  213   1HD2  ASN  54          1HD2      ASN  54  -4.424   9.302   4.614
  214   2HD2  ASN  54          2HD2      ASN  54  -6.007   9.432   5.371
  215    H    TYR  55           H        TYR  55  -0.200   8.755   5.860
  216    HA   TYR  55           HA       TYR  55   1.513   8.671   8.290
  217   1HB   TYR  55          2HB       TYR  55   0.947   6.285   6.513
  218   2HB   TYR  55          3HB       TYR  55   1.721   6.296   8.087
  219    HD1  TYR  55           HD1      TYR  55  -1.072   5.163   6.504
  220    HD2  TYR  55           HD2      TYR  55   0.028   7.436  10.002
  221    HE1  TYR  55           HE1      TYR  55  -3.262   4.650   7.529
  222    HE2  TYR  55           HE2      TYR  55  -2.184   6.937  11.009
  223    HH   TYR  55           HH       TYR  55  -4.680   5.029   9.297
  224    H    SER  56           H        SER  56   3.748   8.705   7.721
  225    HA   SER  56           HA       SER  56   4.313   9.618   4.995
  226   1HB   SER  56          2HB       SER  56   5.381  10.288   7.389
  227   2HB   SER  56          3HB       SER  56   6.556   9.053   6.912
  228    HG   SER  56           HG       SER  56   6.891  10.316   4.977
  229    H    GLU  57           H        GLU  57   6.422   8.578   3.913
  230    HA   GLU  57           HA       GLU  57   5.781   5.978   3.079
  231   1HB   GLU  57          2HB       GLU  57   8.083   5.812   2.238
  232   2HB   GLU  57          3HB       GLU  57   7.137   7.162   1.650
  233   1HG   GLU  57          2HG       GLU  57   9.062   7.567   3.939
  234   2HG   GLU  57          3HG       GLU  57   9.580   7.525   2.255
  235    H    GLU  58           H        GLU  58   8.028   6.997   5.648
  236    HA   GLU  58           HA       GLU  58   9.103   4.483   6.226
  237   1HB   GLU  58          2HB       GLU  58   9.321   7.059   7.322
  238   2HB   GLU  58          3HB       GLU  58   8.636   6.118   8.652
  239   1HG   GLU  58          2HG       GLU  58  10.488   4.445   8.318
  240   2HG   GLU  58          3HG       GLU  58  11.158   5.491   7.050
  241    H    GLU  59           H        GLU  59   5.956   5.849   7.162
  242    HA   GLU  59           HA       GLU  59   5.358   3.752   9.125
  243   1HB   GLU  59          2HB       GLU  59   3.827   6.082   7.951
  244   2HB   GLU  59          3HB       GLU  59   3.219   5.035   9.253
  245   1HG   GLU  59          2HG       GLU  59   5.884   6.355   9.729
  246   2HG   GLU  59          3HG       GLU  59   4.465   7.407   9.670
  247    H    ILE  60           H        ILE  60   4.295   4.825   5.855
  248    HA   ILE  60           HA       ILE  60   2.269   2.846   5.533
  249    HB   ILE  60           HB       ILE  60   3.888   4.284   3.431
  250   1HG1  ILE  60          2HG1      ILE  60   1.130   4.765   4.648
  251   2HG1  ILE  60          3HG1      ILE  60   2.568   5.694   4.995
  252   1HG2  ILE  60          1HG2      ILE  60   2.411   2.042   2.839
  253   2HG2  ILE  60          2HG2      ILE  60   1.123   3.225   2.878
  254   3HG2  ILE  60          3HG2      ILE  60   2.486   3.450   1.780
  255   1HD1  ILE  60          1HD1      ILE  60   2.729   6.388   2.609
  256   2HD1  ILE  60          2HD1      ILE  60   1.257   5.439   2.259
  257   3HD1  ILE  60          3HD1      ILE  60   1.172   6.837   3.336
  258    H    LEU  61           H        LEU  61   5.735   2.957   4.655
  259    HA   LEU  61           HA       LEU  61   5.924   0.479   3.372
  260   1HB   LEU  61          2HB       LEU  61   7.709   2.212   3.366
  261   2HB   LEU  61          3HB       LEU  61   8.024   1.891   5.074
  262    HG   LEU  61           HG       LEU  61   8.776  -0.371   4.544
  263   1HD1  LEU  61          1HD1      LEU  61   7.952   0.319   1.698
  264   2HD1  LEU  61          2HD1      LEU  61   9.037  -1.030   2.095
  265   3HD1  LEU  61          3HD1      LEU  61   7.375  -1.036   2.686
  266   1HD2  LEU  61          1HD2      LEU  61  10.771   0.200   3.209
  267   2HD2  LEU  61          2HD2      LEU  61   9.996   1.707   2.678
  268   3HD2  LEU  61          3HD2      LEU  61  10.402   1.468   4.390
  269    H    ASP  62           H        ASP  62   6.273   1.340   6.855
  270    HA   ASP  62           HA       ASP  62   6.718  -1.236   7.831
  271   1HB   ASP  62          2HB       ASP  62   6.726   0.989   9.103
  272   2HB   ASP  62          3HB       ASP  62   4.971   0.794   9.270
  273    H    ILE  63           H        ILE  63   3.505   0.391   7.300
  274    HA   ILE  63           HA       ILE  63   1.941  -1.882   7.983
  275    HB   ILE  63           HB       ILE  63   1.367   0.418   6.073
  276   1HG1  ILE  63          2HG1      ILE  63   0.223  -0.004   8.819
  277   2HG1  ILE  63          3HG1      ILE  63   1.767   0.827   8.570
  278   1HG2  ILE  63          1HG2      ILE  63  -0.434  -1.810   7.098
  279   2HG2  ILE  63          2HG2      ILE  63  -1.070  -0.296   6.464
  280   3HG2  ILE  63          3HG2      ILE  63  -0.137  -1.354   5.408
  281   1HD1  ILE  63          1HD1      ILE  63   0.814   2.596   7.343
  282   2HD1  ILE  63          2HD1      ILE  63  -0.734   1.760   7.144
  283   3HD1  ILE  63          3HD1      ILE  63  -0.244   2.347   8.740
  284    H    ILE  64           H        ILE  64   3.389  -1.067   4.825
  285    HA   ILE  64           HA       ILE  64   2.139  -3.244   3.409
  286    HB   ILE  64           HB       ILE  64   4.673  -1.668   2.850
  287   1HG1  ILE  64          2HG1      ILE  64   2.033  -1.544   1.367
  288   2HG1  ILE  64          3HG1      ILE  64   2.226  -0.616   2.848
  289   1HG2  ILE  64          1HG2      ILE  64   4.908  -3.761   1.652
  290   2HG2  ILE  64          2HG2      ILE  64   3.203  -3.741   1.175
  291   3HG2  ILE  64          3HG2      ILE  64   4.338  -2.570   0.478
  292   1HD1  ILE  64          1HD1      ILE  64   4.087  -0.322   0.455
  293   2HD1  ILE  64          2HD1      ILE  64   2.753   0.764   0.889
  294   3HD1  ILE  64          3HD1      ILE  64   4.125   0.586   1.979
  295    H    LEU  65           H        LEU  65   5.223  -2.934   5.147
  296    HA   LEU  65           HA       LEU  65   6.114  -5.616   4.578
  297   1HB   LEU  65          2HB       LEU  65   7.001  -3.449   6.507
  298   2HB   LEU  65          3HB       LEU  65   7.797  -5.011   6.400
  299    HG   LEU  65           HG       LEU  65   7.521  -3.035   4.079
  300   1HD1  LEU  65          1HD1      LEU  65   9.965  -3.751   5.749
  301   2HD1  LEU  65          2HD1      LEU  65   9.889  -2.590   4.407
  302   3HD1  LEU  65          3HD1      LEU  65   9.018  -2.260   5.915
  303   1HD2  LEU  65          1HD2      LEU  65   9.445  -4.598   3.195
  304   2HD2  LEU  65          2HD2      LEU  65   8.739  -5.787   4.304
  305   3HD2  LEU  65          3HD2      LEU  65   7.759  -5.091   2.989
  306    H    ASN  66           H        ASN  66   3.968  -4.311   7.115
  307    HA   ASN  66           HA       ASN  66   4.393  -6.797   8.766
  308   1HB   ASN  66          2HB       ASN  66   4.039  -3.928   9.720
  309   2HB   ASN  66          3HB       ASN  66   4.150  -5.357  10.749
  310   1HD2  ASN  66          1HD2      ASN  66   5.873  -2.901  10.585
  311   2HD2  ASN  66          2HD2      ASN  66   7.491  -3.505  10.378
  312    H    GLY  67           H        GLY  67   2.534  -5.862   6.768
  313   1HA   GLY  67          1HA       GLY  67   0.316  -5.212   6.262
  314   2HA   GLY  67          2HA       GLY  67  -0.012  -6.683   7.030
  315    H    GLN  68           H        GLN  68  -1.993  -5.971   8.126
  316    HA   GLN  68           HA       GLN  68  -2.024  -4.390  10.457
  317   1HB   GLN  68          2HB       GLN  68  -1.530  -2.402   9.167
  318   2HB   GLN  68          3HB       GLN  68  -2.701  -2.823   7.927
  319   1HG   GLN  68          2HG       GLN  68  -4.307  -1.708   9.010
  320   2HG   GLN  68          3HG       GLN  68  -4.039  -2.573  10.526
  321   1HE2  GLN  68          1HE2      GLN  68  -4.265   0.496   9.405
  322   2HE2  GLN  68          2HE2      GLN  68  -3.117   1.235  10.514
  323    H    GLY  69           H        GLY  69  -4.089  -4.864  11.497
  324   1HA   GLY  69          1HA       GLY  69  -5.848  -6.251  11.753
  325   2HA   GLY  69          2HA       GLY  69  -6.554  -5.133  10.596
  326    H    GLY  70           H        GLY  70  -7.491  -6.115   8.832
  327   1HA   GLY  70          1HA       GLY  70  -7.257  -8.944   8.356
  328   2HA   GLY  70          2HA       GLY  70  -8.070  -7.751   7.333
  329    H    MET  71           H        MET  71  -5.309  -6.274   7.257
  330    HA   MET  71           HA       MET  71  -4.560  -7.282   4.684
  331   1HB   MET  71          1HB       MET  71  -4.500  -4.897   5.504
  332   2HB   MET  71          2HB       MET  71  -3.099  -5.294   6.454
  333   1HG   MET  71          1HG       MET  71  -1.781  -5.910   4.661
  334   2HG   MET  71          2HG       MET  71  -3.076  -5.775   3.486
  335   1HE   MET  71          1HE       MET  71  -0.839  -4.615   2.544
  336   2HE   MET  71          2HE       MET  71  -0.210  -3.022   3.065
  337   3HE   MET  71          3HE       MET  71   0.012  -4.459   4.084
  338    HA   PRO  72           HA       PRO  72  -1.598 -10.109   6.646
  339   1HB   PRO  72          2HB       PRO  72  -0.677 -11.409   4.400
  340   2HB   PRO  72          3HB       PRO  72  -2.189 -11.743   5.285
  341   1HG   PRO  72          2HG       PRO  72  -1.759 -10.240   2.697
  342   2HG   PRO  72          3HG       PRO  72  -3.151 -11.263   3.142
  343   1HD   PRO  72          2HD       PRO  72  -3.020  -8.437   3.263
  344   2HD   PRO  72          3HD       PRO  72  -4.231  -9.441   4.099
  345    H    GLY  73           H        GLY  73   0.301  -9.420   7.290
  346   1HA   GLY  73          1HA       GLY  73   1.787  -7.525   5.953
  347   2HA   GLY  73          2HA       GLY  73   2.445  -8.501   7.315
  348    H    GLY  74           H        GLY  74   3.345  -7.219   4.712
  349   1HA   GLY  74          1HA       GLY  74   5.243  -7.784   3.407
  350   2HA   GLY  74          2HA       GLY  74   5.125  -9.470   3.939
  351    H    ILE  75           H        ILE  75   2.615  -7.418   2.491
  352    HA   ILE  75           HA       ILE  75   1.824  -9.334   0.530
  353    HB   ILE  75           HB       ILE  75   1.112  -6.615   1.435
  354   1HG1  ILE  75          2HG1      ILE  75  -0.285  -8.408   1.953
  355   2HG1  ILE  75          3HG1      ILE  75  -1.129  -7.252   0.942
  356   1HG2  ILE  75          1HG2      ILE  75   0.552  -7.209  -1.551
  357   2HG2  ILE  75          2HG2      ILE  75   0.055  -5.820  -0.592
  358   3HG2  ILE  75          3HG2      ILE  75   1.734  -6.030  -1.016
  359   1HD1  ILE  75          1HD1      ILE  75  -1.846  -9.384   0.239
  360   2HD1  ILE  75          2HD1      ILE  75  -0.697  -8.917  -1.019
  361   3HD1  ILE  75          3HD1      ILE  75  -0.223 -10.069   0.247
  362    H    ALA  76           H        ALA  76   3.765  -6.344   0.228
  363    HA   ALA  76           HA       ALA  76   5.242  -7.511  -2.085
  364   1HB   ALA  76          1HB       ALA  76   4.125  -5.221  -2.325
  365   2HB   ALA  76          2HB       ALA  76   5.215  -4.641  -1.063
  366   3HB   ALA  76          3HB       ALA  76   5.876  -5.238  -2.602
  367    H    LYS  77           H        LYS  77   7.578  -7.296  -2.039
  368    HA   LYS  77           HA       LYS  77   8.899  -6.833   0.545
  369   1HB   LYS  77          2HB       LYS  77   8.554  -9.504  -0.808
  370   2HB   LYS  77          3HB       LYS  77  10.155  -9.147  -0.198
  371   1HG   LYS  77          2HG       LYS  77   7.944  -8.585   1.741
  372   2HG   LYS  77          3HG       LYS  77   8.144 -10.276   1.280
  373   1HD   LYS  77          2HD       LYS  77  10.464 -10.307   1.866
  374   2HD   LYS  77          3HD       LYS  77  10.517  -8.574   2.182
  375   1HE   LYS  77          2HE       LYS  77   8.638 -10.397   3.756
  376   2HE   LYS  77          3HE       LYS  77  10.358 -10.326   4.159
  377   1HZ   LYS  77          1HZ       LYS  77   9.117  -8.793   5.478
  378   2HZ   LYS  77          2HZ       LYS  77  10.155  -7.974   4.509
  379   3HZ   LYS  77          3HZ       LYS  77   8.545  -8.007   4.154
  380    H    GLY  78           H        GLY  78  11.206  -6.611   0.237
  381   1HA   GLY  78          1HA       GLY  78  13.041  -5.783  -0.889
  382   2HA   GLY  78          2HA       GLY  78  12.378  -6.440  -2.396
  383    H    ALA  79           H        ALA  79  13.333  -4.341  -3.156
  384    HA   ALA  79           HA       ALA  79  12.480  -1.797  -2.600
  385   1HB   ALA  79          1HB       ALA  79  13.151  -2.959  -5.331
  386   2HB   ALA  79          2HB       ALA  79  13.130  -1.233  -4.910
  387   3HB   ALA  79          3HB       ALA  79  14.303  -2.313  -4.136
  388    H    GLU  80           H        GLU  80  10.718  -4.255  -4.308
  389    HA   GLU  80           HA       GLU  80   8.532  -3.062  -5.496
  390   1HB   GLU  80          2HB       GLU  80   9.287  -5.582  -4.717
  391   2HB   GLU  80          3HB       GLU  80   7.943  -5.298  -3.616
  392   1HG   GLU  80          2HG       GLU  80   6.482  -4.985  -5.527
  393   2HG   GLU  80          3HG       GLU  80   7.863  -4.971  -6.643
  394    H    ALA  81           H        ALA  81   8.875  -3.712  -1.978
  395    HA   ALA  81           HA       ALA  81   6.368  -2.415  -1.320
  396   1HB   ALA  81          1HB       ALA  81   8.728  -3.178   0.454
  397   2HB   ALA  81          2HB       ALA  81   7.105  -2.711   1.005
  398   3HB   ALA  81          3HB       ALA  81   7.328  -4.202   0.077
  399    H    GLU  82           H        GLU  82   9.804  -1.465  -1.017
  400    HA   GLU  82           HA       GLU  82   9.543   1.031   0.225
  401   1HB   GLU  82          2HB       GLU  82  11.505   0.024  -1.861
  402   2HB   GLU  82          3HB       GLU  82  11.743   1.508  -0.962
  403   1HG   GLU  82          2HG       GLU  82  11.995   0.403   1.103
  404   2HG   GLU  82          3HG       GLU  82  11.295  -1.115   0.522
  405    H    ALA  83           H        ALA  83   9.672   0.351  -3.283
  406    HA   ALA  83           HA       ALA  83   9.350   2.980  -4.232
  407   1HB   ALA  83          1HB       ALA  83   8.611   1.871  -6.334
  408   2HB   ALA  83          2HB       ALA  83  10.058   1.110  -5.649
  409   3HB   ALA  83          3HB       ALA  83   8.474   0.327  -5.465
  410    H    VAL  84           H        VAL  84   6.863   0.433  -3.633
  411    HA   VAL  84           HA       VAL  84   4.607   2.001  -4.302
  412    HB   VAL  84           HB       VAL  84   4.955  -0.314  -2.361
  413   1HG1  VAL  84          1HG1      VAL  84   2.414  -0.438  -2.606
  414   2HG1  VAL  84          2HG1      VAL  84   3.027   0.842  -1.544
  415   3HG1  VAL  84          3HG1      VAL  84   2.473   1.241  -3.178
  416   1HG2  VAL  84          1HG2      VAL  84   3.784  -1.507  -4.147
  417   2HG2  VAL  84          2HG2      VAL  84   3.754  -0.040  -5.146
  418   3HG2  VAL  84          3HG2      VAL  84   5.289  -0.820  -4.781
  419    H    ALA  85           H        ALA  85   5.977   1.469  -1.036
  420    HA   ALA  85           HA       ALA  85   4.341   3.213   0.371
  421   1HB   ALA  85          1HB       ALA  85   7.313   2.777   0.875
  422   2HB   ALA  85          2HB       ALA  85   6.090   3.327   2.043
  423   3HB   ALA  85          3HB       ALA  85   6.011   1.683   1.373
  424    H    ALA  86           H        ALA  86   7.445   4.044  -1.226
  425    HA   ALA  86           HA       ALA  86   7.499   6.795  -0.496
  426   1HB   ALA  86          1HB       ALA  86   8.689   5.448  -2.948
  427   2HB   ALA  86          2HB       ALA  86   9.147   7.028  -2.271
  428   3HB   ALA  86          3HB       ALA  86   9.437   5.546  -1.339
  429    H    TRP  87           H        TRP  87   6.246   5.174  -3.428
  430    HA   TRP  87           HA       TRP  87   5.333   7.504  -4.777
  431   1HB   TRP  87          2HB       TRP  87   5.683   5.370  -5.847
  432   2HB   TRP  87          3HB       TRP  87   4.480   4.601  -4.815
  433    HD1  TRP  87           HD1      TRP  87   4.571   7.343  -7.539
  434    HE1  TRP  87           HE1      TRP  87   2.498   6.998  -9.063
  435    HE3  TRP  87           HE3      TRP  87   2.315   3.434  -5.105
  436    HZ2  TRP  87           HZ2      TRP  87  -0.004   5.622  -8.931
  437    HZ3  TRP  87           HZ3      TRP  87   0.038   2.751  -5.748
  438    HH2  TRP  87           HH2      TRP  87  -1.075   3.722  -7.712
  439    H    LEU  88           H        LEU  88   3.699   5.318  -2.475
  440    HA   LEU  88           HA       LEU  88   1.156   6.658  -2.442
  441   1HB   LEU  88          2HB       LEU  88   2.591   4.759  -0.559
  442   2HB   LEU  88          3HB       LEU  88   1.101   5.535  -0.079
  443    HG   LEU  88           HG       LEU  88   1.295   3.118  -1.383
  444   1HD1  LEU  88          1HD1      LEU  88  -1.087   5.047  -1.311
  445   2HD1  LEU  88          2HD1      LEU  88  -1.189   3.310  -1.630
  446   3HD1  LEU  88          3HD1      LEU  88  -0.669   3.883  -0.026
  447   1HD2  LEU  88          1HD2      LEU  88   0.403   3.212  -3.487
  448   2HD2  LEU  88          2HD2      LEU  88   0.143   4.972  -3.446
  449   3HD2  LEU  88          3HD2      LEU  88   1.796   4.317  -3.391
  450    H    ALA  89           H        ALA  89   4.128   7.145  -0.535
  451    HA   ALA  89           HA       ALA  89   3.212   9.155   1.208
  452   1HB   ALA  89          1HB       ALA  89   5.692   8.088   0.466
  453   2HB   ALA  89          2HB       ALA  89   5.849   9.812   0.138
  454   3HB   ALA  89          3HB       ALA  89   5.380   9.262   1.755
  455    H    GLU  90           H        GLU  90   4.477   9.415  -2.138
  456    HA   GLU  90           HA       GLU  90   3.564  12.203  -2.308
  457   1HB   GLU  90          2HB       GLU  90   5.731  11.132  -3.297
  458   2HB   GLU  90          3HB       GLU  90   4.694  10.634  -4.632
  459   1HG   GLU  90          2HG       GLU  90   4.398  13.517  -3.861
  460   2HG   GLU  90          3HG       GLU  90   6.040  13.070  -4.318
  461    H    LYS  91           H        LYS  91   1.427  10.187  -1.835
  462    HA   LYS  91           HA       LYS  91  -0.227  11.210  -4.076
  463   1HB   LYS  91          2HB       LYS  91  -0.456   8.413  -2.890
  464   2HB   LYS  91          3HB       LYS  91  -1.684   9.298  -3.816
  465   1HG   LYS  91          2HG       LYS  91   0.511   9.525  -5.483
  466   2HG   LYS  91          3HG       LYS  91   0.741   7.918  -4.815
  467   1HD   LYS  91          2HD       LYS  91  -1.768   8.990  -6.231
  468   2HD   LYS  91          3HD       LYS  91  -0.552   7.899  -6.891
  469   1HE   LYS  91          2HE       LYS  91  -2.194   6.427  -6.344
  470   2HE   LYS  91          3HE       LYS  91  -1.141   6.296  -4.939
  471   1HZ   LYS  91          1HZ       LYS  91  -3.744   7.814  -5.010
  472   2HZ   LYS  91          2HZ       LYS  91  -3.445   6.398  -4.339
  473   3HZ   LYS  91          3HZ       LYS  91  -2.765   7.738  -3.716
  474    H    LYS  92           H        LYS  92  -2.225  11.972  -3.533
  475    HA   LYS  92           HA       LYS  92  -3.394  11.935  -0.945
  476   1HB   LYS  92          2HB       LYS  92  -1.742  14.284  -1.936
  477   2HB   LYS  92          3HB       LYS  92  -3.278  14.572  -1.101
  478   1HG   LYS  92          2HG       LYS  92  -2.572  13.339   0.832
  479   2HG   LYS  92          3HG       LYS  92  -1.006  12.948   0.122
  480   1HD   LYS  92          2HD       LYS  92  -1.705  15.841   0.043
  481   2HD   LYS  92          3HD       LYS  92  -1.512  15.200   1.677
  482   1HE   LYS  92          2HE       LYS  92   0.725  14.506   1.313
  483   2HE   LYS  92          3HE       LYS  92   0.581  14.601  -0.450
  484   1HZ   LYS  92          1HZ       LYS  92   1.821  16.431   0.477
  485   2HZ   LYS  92          2HZ       LYS  92   0.479  16.948  -0.317
  486   3HZ   LYS  92          3HZ       LYS  92   0.510  16.941   1.332
  487    HHA  HEC  93           HHA      HEC  93  -5.035  -0.554   6.446
  488    HHB  HEC  93           HHB      HEC  93  -0.653   0.789   1.963
  489    HHC  HEC  93           HHC      HEC  93  -1.890  -4.984  -0.756
  490    HHD  HEC  93           HHD      HEC  93  -6.983  -5.629   3.058
  491   1HMA  HEC  93          1HMA      HEC  93  -1.076   2.713   3.166
  492   2HMA  HEC  93          2HMA      HEC  93  -1.524   3.139   4.796
  493   3HMA  HEC  93          3HMA      HEC  93  -0.189   2.006   4.540
  494   1HAA  HEC  93          1HAA      HEC  93  -2.780   2.546   6.427
  495   2HAA  HEC  93          2HAA      HEC  93  -3.293   1.113   7.255
  496   1HBA  HEC  93          1HBA      HEC  93  -5.304   2.092   5.292
  497   2HBA  HEC  93          2HBA      HEC  93  -4.844   3.353   6.421
  498   1HMB  HEC  93          1HMB      HEC  93   1.374  -0.491  -0.617
  499   2HMB  HEC  93          2HMB      HEC  93  -0.029   0.205  -1.454
  500   3HMB  HEC  93          3HMB      HEC  93   0.422   0.757   0.147
  501    HAB  HEC  93           HAB      HEC  93  -0.372  -4.041  -1.884
  502   1HBB  HEC  93          1HBB      HEC  93   1.692  -3.861  -0.519
  503   2HBB  HEC  93          2HBB      HEC  93   1.945  -3.832  -2.279
  504   3HBB  HEC  93          3HBB      HEC  93   2.079  -2.351  -1.339
  505   1HMC  HEC  93          1HMC      HEC  93  -2.647  -7.174  -0.897
  506   2HMC  HEC  93          2HMC      HEC  93  -4.221  -7.953  -0.881
  507   3HMC  HEC  93          3HMC      HEC  93  -4.009  -6.455  -1.798
  508    HAC  HEC  93           HAC      HEC  93  -7.172  -7.051   1.529
  509   1HBC  HEC  93          1HBC      HEC  93  -5.486  -8.658   2.363
  510   2HBC  HEC  93          2HBC      HEC  93  -6.767  -9.365   1.369
  511   3HBC  HEC  93          3HBC      HEC  93  -5.148  -9.141   0.691
  512   1HMD  HEC  93          1HMD      HEC  93  -7.910  -5.733   5.102
  513   2HMD  HEC  93          2HMD      HEC  93  -8.440  -4.631   6.356
  514   3HMD  HEC  93          3HMD      HEC  93  -9.019  -4.400   4.705
  515   1HAD  HEC  93          1HAD      HEC  93  -8.280  -2.298   6.935
  516   2HAD  HEC  93          2HAD      HEC  93  -6.908  -1.306   7.391
  517   1HBD  HEC  93          1HBD      HEC  93  -6.061  -2.921   8.816
  518   2HBD  HEC  93          2HBD      HEC  93  -6.586  -4.247   7.793
  Start of MODEL    5
    1   1H    VAL  22          H1        VAL  22  11.747  -0.098 -10.407
    2   2H    VAL  22          H2        VAL  22  11.621  -0.213  -8.781
    3   3H    VAL  22          H3        VAL  22  12.401  -1.416  -9.633
    4    HA   VAL  22           HA       VAL  22  10.321  -1.977 -10.700
    5    HB   VAL  22           HB       VAL  22  10.485  -1.952  -7.665
    6   1HG1  VAL  22          1HG1      VAL  22   8.516  -3.525  -7.701
    7   2HG1  VAL  22          2HG1      VAL  22   8.125  -1.819  -7.930
    8   3HG1  VAL  22          3HG1      VAL  22   8.132  -2.938  -9.321
    9   1HG2  VAL  22          1HG2      VAL  22  10.674  -4.381  -7.978
   10   2HG2  VAL  22          2HG2      VAL  22  10.431  -4.203  -9.725
   11   3HG2  VAL  22          3HG2      VAL  22  11.900  -3.557  -8.957
   12    H    ASP  23           H        ASP  23   8.261  -1.311 -11.297
   13    HA   ASP  23           HA       ASP  23   7.633   1.478 -10.818
   14   1HB   ASP  23          2HB       ASP  23   6.597  -0.736 -12.582
   15   2HB   ASP  23          3HB       ASP  23   5.517   0.607 -12.193
   16    H    ALA  24           H        ALA  24   6.939   1.987  -8.893
   17    HA   ALA  24           HA       ALA  24   5.540   0.592  -6.972
   18   1HB   ALA  24          1HB       ALA  24   6.382   2.820  -6.577
   19   2HB   ALA  24          2HB       ALA  24   5.342   3.509  -7.840
   20   3HB   ALA  24          3HB       ALA  24   4.614   2.863  -6.361
   21    H    GLU  25           H        GLU  25   4.092   2.529  -9.652
   22    HA   GLU  25           HA       GLU  25   1.405   1.960  -9.084
   23   1HB   GLU  25          2HB       GLU  25   1.062   2.384 -11.554
   24   2HB   GLU  25          3HB       GLU  25   1.768   3.692 -10.606
   25   1HG   GLU  25          2HG       GLU  25   3.918   3.411 -11.518
   26   2HG   GLU  25          3HG       GLU  25   3.541   1.796 -12.140
   27    H    ALA  26           H        ALA  26   3.771   0.050 -10.990
   28    HA   ALA  26           HA       ALA  26   1.865  -1.824 -12.016
   29   1HB   ALA  26          1HB       ALA  26   4.853  -2.211 -11.577
   30   2HB   ALA  26          2HB       ALA  26   3.790  -3.172 -12.615
   31   3HB   ALA  26          3HB       ALA  26   4.104  -1.469 -13.011
   32    H    VAL  27           H        VAL  27   4.033  -1.814  -9.161
   33    HA   VAL  27           HA       VAL  27   3.295  -4.408  -8.177
   34    HB   VAL  27           HB       VAL  27   4.150  -1.892  -6.679
   35   1HG1  VAL  27          1HG1      VAL  27   4.718  -3.486  -4.830
   36   2HG1  VAL  27          2HG1      VAL  27   2.988  -3.451  -5.124
   37   3HG1  VAL  27          3HG1      VAL  27   3.963  -4.790  -5.756
   38   1HG2  VAL  27          1HG2      VAL  27   5.677  -4.341  -7.628
   39   2HG2  VAL  27          2HG2      VAL  27   5.809  -2.715  -8.306
   40   3HG2  VAL  27          3HG2      VAL  27   6.335  -2.996  -6.646
   41    H    VAL  28           H        VAL  28   2.017  -1.140  -7.371
   42    HA   VAL  28           HA       VAL  28   0.016  -2.028  -5.634
   43    HB   VAL  28           HB       VAL  28   0.244   0.423  -7.402
   44   1HG1  VAL  28          1HG1      VAL  28  -1.483   1.504  -6.105
   45   2HG1  VAL  28          2HG1      VAL  28  -2.144   0.061  -6.872
   46   3HG1  VAL  28          3HG1      VAL  28  -1.744   0.052  -5.138
   47   1HG2  VAL  28          1HG2      VAL  28   0.376   0.888  -4.536
   48   2HG2  VAL  28          2HG2      VAL  28   1.490  -0.411  -4.950
   49   3HG2  VAL  28          3HG2      VAL  28   1.625   1.154  -5.762
   50    H    GLN  29           H        GLN  29  -0.187  -1.494  -9.099
   51    HA   GLN  29           HA       GLN  29  -2.791  -2.317  -9.660
   52   1HB   GLN  29          2HB       GLN  29  -0.227  -2.384 -11.220
   53   2HB   GLN  29          3HB       GLN  29  -1.724  -3.001 -11.903
   54   1HG   GLN  29          2HG       GLN  29  -1.575  -0.190 -10.727
   55   2HG   GLN  29          3HG       GLN  29  -1.088  -0.554 -12.384
   56   1HE2  GLN  29          1HE2      GLN  29  -3.866  -0.251 -10.194
   57   2HE2  GLN  29          2HE2      GLN  29  -5.062  -0.424 -11.460
   58    H    GLN  30           H        GLN  30  -0.165  -4.412  -8.563
   59    HA   GLN  30           HA       GLN  30  -2.117  -6.596  -8.764
   60   1HB   GLN  30          2HB       GLN  30  -0.569  -6.520 -10.877
   61   2HB   GLN  30          3HB       GLN  30   0.684  -7.115  -9.790
   62   1HG   GLN  30          2HG       GLN  30  -0.159  -9.184 -10.299
   63   2HG   GLN  30          3HG       GLN  30  -1.440  -8.803  -9.151
   64   1HE2  GLN  30          1HE2      GLN  30  -0.528  -8.535 -12.605
   65   2HE2  GLN  30          2HE2      GLN  30  -2.175  -8.619 -13.213
   66    H    LYS  31           H        LYS  31  -1.483  -5.288  -6.546
   67    HA   LYS  31           HA       LYS  31  -0.919  -7.532  -4.874
   68   1HB   LYS  31          2HB       LYS  31   1.266  -5.425  -5.045
   69   2HB   LYS  31          3HB       LYS  31   0.838  -6.072  -3.479
   70   1HG   LYS  31          2HG       LYS  31   2.057  -7.889  -3.773
   71   2HG   LYS  31          3HG       LYS  31   1.053  -8.357  -5.131
   72   1HD   LYS  31          2HD       LYS  31   2.619  -6.649  -6.469
   73   2HD   LYS  31          3HD       LYS  31   3.700  -6.929  -5.080
   74   1HE   LYS  31          2HE       LYS  31   2.867  -9.516  -5.752
   75   2HE   LYS  31          3HE       LYS  31   2.902  -8.727  -7.335
   76   1HZ   LYS  31          1HZ       LYS  31   5.191  -8.652  -5.432
   77   2HZ   LYS  31          2HZ       LYS  31   5.016  -9.827  -6.587
   78   3HZ   LYS  31          3HZ       LYS  31   5.257  -8.249  -6.953
   79    H    CYS  32           H        CYS  32  -1.435  -3.975  -5.077
   80    HA   CYS  32           HA       CYS  32  -2.715  -4.123  -2.407
   81   1HB   CYS  32          2HB       CYS  32  -2.343  -1.651  -4.021
   82   2HB   CYS  32          3HB       CYS  32  -2.465  -1.835  -2.272
   83    H    ILE  33           H        ILE  33  -3.419  -3.082  -5.723
   84    HA   ILE  33           HA       ILE  33  -6.017  -2.231  -5.199
   85    HB   ILE  33           HB       ILE  33  -6.421  -2.368  -7.561
   86   1HG1  ILE  33          2HG1      ILE  33  -4.637  -3.093  -9.106
   87   2HG1  ILE  33          3HG1      ILE  33  -3.934  -4.070  -7.793
   88   1HG2  ILE  33          1HG2      ILE  33  -3.729  -1.384  -7.891
   89   2HG2  ILE  33          2HG2      ILE  33  -5.220  -0.480  -7.685
   90   3HG2  ILE  33          3HG2      ILE  33  -4.288  -0.973  -6.274
   91   1HD1  ILE  33          1HD1      ILE  33  -6.847  -4.444  -8.458
   92   2HD1  ILE  33          2HD1      ILE  33  -5.656  -4.907  -9.687
   93   3HD1  ILE  33          3HD1      ILE  33  -5.589  -5.662  -8.094
   94    H    SER  34           H        SER  34  -4.876  -5.509  -5.641
   95    HA   SER  34           HA       SER  34  -7.027  -7.103  -6.038
   96   1HB   SER  34          2HB       SER  34  -4.920  -7.237  -3.837
   97   2HB   SER  34          3HB       SER  34  -5.975  -8.589  -4.283
   98    HG   SER  34           HG       SER  34  -5.066  -8.545  -6.349
   99    H    CYS  35           H        CYS  35  -6.459  -5.127  -3.105
  100    HA   CYS  35           HA       CYS  35  -9.241  -5.807  -2.235
  101   1HB   CYS  35          2HB       CYS  35  -7.046  -4.943  -0.385
  102   2HB   CYS  35          3HB       CYS  35  -8.614  -5.679   0.009
  103    H    HIS  36           HN       HIS  36  -6.684  -3.302  -2.357
  104    HA   HIS  36           HA       HIS  36  -8.371  -1.199  -1.339
  105   1HB   HIS  36          2HB       HIS  36  -5.656  -1.301  -2.712
  106   2HB   HIS  36          3HB       HIS  36  -6.417   0.193  -2.190
  107    HD1  HIS  36           HD1      HIS  36  -7.039   0.333   0.499
  108    HD2  HIS  36           HD2      HIS  36  -4.352  -2.644  -0.740
  109    HE1  HIS  36           1HE      HIS  36  -5.835  -0.437   2.591
  110    H    GLY  37           H        GLY  37  -8.332  -2.708  -4.413
  111   1HA   GLY  37          1HA       GLY  37  -9.843  -2.326  -6.090
  112   2HA   GLY  37          2HA       GLY  37 -10.198  -0.696  -5.484
  113    H    GLY  38           H        GLY  38  -9.470  -1.576  -8.230
  114   1HA   GLY  38          1HA       GLY  38  -6.949  -1.028  -9.213
  115   2HA   GLY  38          2HA       GLY  38  -8.448  -0.528  -9.985
  116    H    ASP  39           H        ASP  39  -9.338   1.278  -7.965
  117    HA   ASP  39           HA       ASP  39  -7.745   3.607  -8.813
  118   1HB   ASP  39          2HB       ASP  39 -10.549   3.278  -7.681
  119   2HB   ASP  39          3HB       ASP  39  -9.797   4.836  -8.050
  120    H    LEU  40           H        LEU  40  -7.786   1.590  -5.939
  121    HA   LEU  40           HA       LEU  40  -6.809   1.892  -4.028
  122   1HB   LEU  40          2HB       LEU  40  -5.901   4.697  -4.709
  123   2HB   LEU  40          3HB       LEU  40  -5.129   3.516  -3.667
  124    HG   LEU  40           HG       LEU  40  -5.319   3.279  -6.720
  125   1HD1  LEU  40          1HD1      LEU  40  -3.889   5.116  -6.058
  126   2HD1  LEU  40          2HD1      LEU  40  -2.962   4.040  -4.981
  127   3HD1  LEU  40          3HD1      LEU  40  -2.966   3.769  -6.740
  128   1HD2  LEU  40          1HD2      LEU  40  -3.859   1.436  -6.526
  129   2HD2  LEU  40          2HD2      LEU  40  -3.706   1.619  -4.754
  130   3HD2  LEU  40          3HD2      LEU  40  -5.235   1.086  -5.485
  131    H    THR  41           H        THR  41  -9.506   3.090  -4.825
  132    HA   THR  41           HA       THR  41 -10.079   5.255  -2.955
  133    HB   THR  41           HB       THR  41 -12.385   4.841  -4.106
  134    HG1  THR  41           1HG      THR  41 -12.118   2.817  -4.917
  135   1HG2  THR  41          1HG2      THR  41 -10.975   6.697  -4.811
  136   2HG2  THR  41          2HG2      THR  41  -9.956   5.618  -5.775
  137   3HG2  THR  41          3HG2      THR  41 -11.644   5.887  -6.241
  138    H    GLY  42           H        GLY  42  -9.759   1.889  -2.758
  139   1HA   GLY  42          1HA       GLY  42 -10.210   0.613  -0.925
  140   2HA   GLY  42          2HA       GLY  42 -11.466   1.723  -0.349
  141    H    ALA  43           H        ALA  43 -11.363  -1.187  -1.074
  142    HA   ALA  43           HA       ALA  43 -13.977  -1.326  -2.466
  143   1HB   ALA  43          1HB       ALA  43 -11.461  -2.690  -3.513
  144   2HB   ALA  43          2HB       ALA  43 -13.096  -3.284  -3.868
  145   3HB   ALA  43          3HB       ALA  43 -12.609  -1.655  -4.376
  146    H    SER  44           H        SER  44 -11.570  -3.816  -1.680
  147    HA   SER  44           HA       SER  44 -13.426  -5.063   0.294
  148   1HB   SER  44          2HB       SER  44 -11.231  -6.012  -1.467
  149   2HB   SER  44          3HB       SER  44 -11.191  -6.685   0.165
  150    HG   SER  44           HG       SER  44 -13.235  -7.481  -0.145
  151    H    ALA  45           H        ALA  45 -11.331  -2.536   0.385
  152    HA   ALA  45           HA       ALA  45 -10.554  -2.946   3.145
  153   1HB   ALA  45          1HB       ALA  45  -8.323  -2.493   1.121
  154   2HB   ALA  45          2HB       ALA  45  -8.252  -3.124   2.781
  155   3HB   ALA  45          3HB       ALA  45  -8.861  -4.139   1.514
  156    HA   PRO  46           HA       PRO  46 -10.940   1.393   3.101
  157   1HB   PRO  46          2HB       PRO  46  -8.832   2.462   4.561
  158   2HB   PRO  46          3HB       PRO  46 -10.185   1.539   5.271
  159   1HG   PRO  46          2HG       PRO  46  -7.402   0.612   4.657
  160   2HG   PRO  46          3HG       PRO  46  -8.450   0.181   6.032
  161   1HD   PRO  46          2HD       PRO  46  -8.028  -1.325   3.768
  162   2HD   PRO  46          3HD       PRO  46  -9.477  -1.518   4.807
  163    H    ALA  47           H        ALA  47 -10.190   3.500   2.224
  164    HA   ALA  47           HA       ALA  47  -8.753   3.094  -0.253
  165   1HB   ALA  47          1HB       ALA  47  -9.609   5.708   1.047
  166   2HB   ALA  47          2HB       ALA  47  -9.305   5.389  -0.675
  167   3HB   ALA  47          3HB       ALA  47 -10.699   4.642   0.149
  168    H    ILE  48           H        ILE  48  -6.605   3.290  -0.601
  169    HA   ILE  48           HA       ILE  48  -4.922   4.648   1.481
  170    HB   ILE  48           HB       ILE  48  -3.027   3.417   0.603
  171   1HG1  ILE  48          2HG1      ILE  48  -4.976   1.779  -1.058
  172   2HG1  ILE  48          3HG1      ILE  48  -3.891   3.027  -1.687
  173   1HG2  ILE  48          1HG2      ILE  48  -5.385   1.870   1.692
  174   2HG2  ILE  48          2HG2      ILE  48  -3.751   1.194   1.553
  175   3HG2  ILE  48          3HG2      ILE  48  -4.044   2.613   2.569
  176   1HD1  ILE  48          1HD1      ILE  48  -1.968   1.704  -0.558
  177   2HD1  ILE  48          2HD1      ILE  48  -3.131   0.359  -0.505
  178   3HD1  ILE  48          3HD1      ILE  48  -2.677   1.078  -2.056
  179    H    ASP  49           H        ASP  49  -6.375   5.286  -1.478
  180    HA   ASP  49           HA       ASP  49  -4.561   6.447  -3.084
  181   1HB   ASP  49          2HB       ASP  49  -7.014   6.399  -3.428
  182   2HB   ASP  49          3HB       ASP  49  -7.206   7.682  -2.223
  183    H    LYS  50           H        LYS  50  -5.501   7.794   0.065
  184    HA   LYS  50           HA       LYS  50  -3.736  10.156  -0.311
  185   1HB   LYS  50          2HB       LYS  50  -5.091  11.180   1.467
  186   2HB   LYS  50          3HB       LYS  50  -6.069  10.748   0.070
  187   1HG   LYS  50          2HG       LYS  50  -7.280   9.151   1.191
  188   2HG   LYS  50          3HG       LYS  50  -5.904   8.610   2.143
  189   1HD   LYS  50          2HD       LYS  50  -7.314   9.475   3.720
  190   2HD   LYS  50          3HD       LYS  50  -6.064  10.711   3.532
  191   1HE   LYS  50          2HE       LYS  50  -7.523  12.276   2.665
  192   2HE   LYS  50          3HE       LYS  50  -8.485  11.077   1.796
  193   1HZ   LYS  50          1HZ       LYS  50  -8.613  11.497   4.707
  194   2HZ   LYS  50          2HZ       LYS  50  -9.702  12.060   3.610
  195   3HZ   LYS  50          3HZ       LYS  50  -9.523  10.442   3.828
  196    H    ALA  51           H        ALA  51  -3.036   7.261   0.576
  197    HA   ALA  51           HA       ALA  51  -2.780   7.135   3.367
  198   1HB   ALA  51          1HB       ALA  51  -1.057   5.414   2.978
  199   2HB   ALA  51          2HB       ALA  51  -2.487   5.170   1.972
  200   3HB   ALA  51          3HB       ALA  51  -1.004   5.853   1.256
  201    H    GLY  52           H        GLY  52  -0.422   8.387   0.929
  202   1HA   GLY  52          1HA       GLY  52   1.747   8.932   2.529
  203   2HA   GLY  52          2HA       GLY  52   1.217   9.930   1.149
  204    H    ALA  53           H        ALA  53  -1.313  10.732   2.446
  205    HA   ALA  53           HA       ALA  53  -0.207  13.031   3.928
  206   1HB   ALA  53          1HB       ALA  53  -2.532  13.791   3.972
  207   2HB   ALA  53          2HB       ALA  53  -2.052  13.339   2.321
  208   3HB   ALA  53          3HB       ALA  53  -3.079  12.251   3.279
  209    H    ASN  54           H        ASN  54  -2.006  10.039   4.515
  210    HA   ASN  54           HA       ASN  54  -2.743  10.631   7.247
  211   1HB   ASN  54          2HB       ASN  54  -3.280   8.566   5.308
  212   2HB   ASN  54          3HB       ASN  54  -2.574   7.786   6.708
  213   1HD2  ASN  54          1HD2      ASN  54  -5.233   9.784   5.560
  214   2HD2  ASN  54          2HD2      ASN  54  -6.298   9.446   6.929
  215    H    TYR  55           H        TYR  55  -0.105   8.761   5.704
  216    HA   TYR  55           HA       TYR  55   1.425   8.656   8.249
  217   1HB   TYR  55          2HB       TYR  55   1.076   6.279   6.419
  218   2HB   TYR  55          3HB       TYR  55   1.686   6.297   8.063
  219    HD1  TYR  55           HD1      TYR  55  -0.896   5.151   6.134
  220    HD2  TYR  55           HD2      TYR  55  -0.235   7.297   9.817
  221    HE1  TYR  55           HE1      TYR  55  -3.215   4.681   6.839
  222    HE2  TYR  55           HE2      TYR  55  -2.557   6.794  10.518
  223    HH   TYR  55           HH       TYR  55  -4.674   6.256   9.554
  224    H    SER  56           H        SER  56   3.781   8.452   7.789
  225    HA   SER  56           HA       SER  56   4.531   9.618   5.224
  226   1HB   SER  56          2HB       SER  56   6.797   9.553   6.184
  227   2HB   SER  56          3HB       SER  56   5.647  10.237   7.345
  228    HG   SER  56           HG       SER  56   7.066   8.579   8.233
  229    H    GLU  57           H        GLU  57   6.530   8.562   4.068
  230    HA   GLU  57           HA       GLU  57   5.876   6.073   2.935
  231   1HB   GLU  57          2HB       GLU  57   8.213   5.962   2.220
  232   2HB   GLU  57          3HB       GLU  57   7.389   7.439   1.752
  233   1HG   GLU  57          2HG       GLU  57   9.096   7.459   4.235
  234   2HG   GLU  57          3HG       GLU  57   9.793   7.510   2.624
  235    H    GLU  58           H        GLU  58   7.858   6.844   5.773
  236    HA   GLU  58           HA       GLU  58   8.942   4.254   6.145
  237   1HB   GLU  58          2HB       GLU  58   9.569   6.598   7.154
  238   2HB   GLU  58          3HB       GLU  58   8.429   6.179   8.441
  239   1HG   GLU  58          2HG       GLU  58   9.759   4.104   8.869
  240   2HG   GLU  58          3HG       GLU  58  10.863   4.554   7.555
  241    H    GLU  59           H        GLU  59   5.904   5.788   7.304
  242    HA   GLU  59           HA       GLU  59   5.254   3.652   9.177
  243   1HB   GLU  59          2HB       GLU  59   3.795   6.010   7.965
  244   2HB   GLU  59          3HB       GLU  59   3.056   4.925   9.170
  245   1HG   GLU  59          2HG       GLU  59   5.691   6.239   9.861
  246   2HG   GLU  59          3HG       GLU  59   4.229   7.229   9.850
  247    H    ILE  60           H        ILE  60   4.250   4.740   5.893
  248    HA   ILE  60           HA       ILE  60   2.271   2.740   5.523
  249    HB   ILE  60           HB       ILE  60   3.924   4.225   3.458
  250   1HG1  ILE  60          2HG1      ILE  60   1.131   4.630   4.575
  251   2HG1  ILE  60          3HG1      ILE  60   2.534   5.564   4.972
  252   1HG2  ILE  60          1HG2      ILE  60   3.155   2.518   2.135
  253   2HG2  ILE  60          2HG2      ILE  60   1.862   2.045   3.236
  254   3HG2  ILE  60          3HG2      ILE  60   1.626   3.393   2.144
  255   1HD1  ILE  60          1HD1      ILE  60   1.246   6.767   3.359
  256   2HD1  ILE  60          2HD1      ILE  60   2.817   6.340   2.662
  257   3HD1  ILE  60          3HD1      ILE  60   1.340   5.463   2.177
  258    H    LEU  61           H        LEU  61   5.770   2.856   4.701
  259    HA   LEU  61           HA       LEU  61   5.889   0.342   3.482
  260   1HB   LEU  61          2HB       LEU  61   7.754   1.941   3.382
  261   2HB   LEU  61          3HB       LEU  61   8.022   1.770   5.123
  262    HG   LEU  61           HG       LEU  61   8.589  -0.631   4.804
  263   1HD1  LEU  61          1HD1      LEU  61   7.291  -1.204   2.824
  264   2HD1  LEU  61          2HD1      LEU  61   8.168  -0.007   1.850
  265   3HD1  LEU  61          3HD1      LEU  61   8.998  -1.454   2.463
  266   1HD2  LEU  61          1HD2      LEU  61  10.119   1.358   3.104
  267   2HD2  LEU  61          2HD2      LEU  61  10.384   0.972   4.815
  268   3HD2  LEU  61          3HD2      LEU  61  10.732  -0.246   3.575
  269    H    ASP  62           H        ASP  62   6.369   1.266   6.968
  270    HA   ASP  62           HA       ASP  62   6.803  -1.310   7.919
  271   1HB   ASP  62          2HB       ASP  62   6.925   0.827   9.269
  272   2HB   ASP  62          3HB       ASP  62   5.159   0.748   9.431
  273    H    ILE  63           H        ILE  63   3.606   0.286   7.322
  274    HA   ILE  63           HA       ILE  63   2.075  -2.029   8.133
  275    HB   ILE  63           HB       ILE  63   1.385   0.103   6.075
  276   1HG1  ILE  63          2HG1      ILE  63   0.618  -0.058   9.018
  277   2HG1  ILE  63          3HG1      ILE  63   1.906   0.953   8.378
  278   1HG2  ILE  63          1HG2      ILE  63  -0.622  -1.538   7.626
  279   2HG2  ILE  63          2HG2      ILE  63  -0.862  -0.552   6.179
  280   3HG2  ILE  63          3HG2      ILE  63  -0.032  -2.097   6.055
  281   1HD1  ILE  63          1HD1      ILE  63   0.229   2.089   6.878
  282   2HD1  ILE  63          2HD1      ILE  63  -1.030   1.223   7.796
  283   3HD1  ILE  63          3HD1      ILE  63   0.035   2.372   8.617
  284    H    ILE  64           H        ILE  64   3.206  -1.116   4.811
  285    HA   ILE  64           HA       ILE  64   2.142  -3.392   3.528
  286    HB   ILE  64           HB       ILE  64   4.637  -1.788   2.889
  287   1HG1  ILE  64          2HG1      ILE  64   1.905  -1.716   1.546
  288   2HG1  ILE  64          3HG1      ILE  64   2.263  -0.687   2.925
  289   1HG2  ILE  64          1HG2      ILE  64   4.852  -3.916   1.733
  290   2HG2  ILE  64          2HG2      ILE  64   3.143  -3.883   1.259
  291   3HG2  ILE  64          3HG2      ILE  64   4.294  -2.737   0.548
  292   1HD1  ILE  64          1HD1      ILE  64   4.199   0.292   1.729
  293   2HD1  ILE  64          2HD1      ILE  64   3.744  -0.611   0.271
  294   3HD1  ILE  64          3HD1      ILE  64   2.645   0.598   0.945
  295    H    LEU  65           H        LEU  65   5.201  -3.047   5.285
  296    HA   LEU  65           HA       LEU  65   6.135  -5.722   4.764
  297   1HB   LEU  65          2HB       LEU  65   6.894  -3.629   6.829
  298   2HB   LEU  65          3HB       LEU  65   7.717  -5.170   6.637
  299    HG   LEU  65           HG       LEU  65   7.554  -2.951   4.543
  300   1HD1  LEU  65          1HD1      LEU  65   9.038  -2.465   6.458
  301   2HD1  LEU  65          2HD1      LEU  65   9.879  -4.008   6.203
  302   3HD1  LEU  65          3HD1      LEU  65   9.970  -2.731   4.974
  303   1HD2  LEU  65          1HD2      LEU  65   7.643  -5.000   3.298
  304   2HD2  LEU  65          2HD2      LEU  65   9.265  -4.311   3.314
  305   3HD2  LEU  65          3HD2      LEU  65   8.883  -5.676   4.386
  306    H    ASN  66           H        ASN  66   3.874  -4.465   7.278
  307    HA   ASN  66           HA       ASN  66   4.258  -7.064   8.778
  308   1HB   ASN  66          2HB       ASN  66   3.864  -4.322  10.025
  309   2HB   ASN  66          3HB       ASN  66   3.985  -5.872  10.863
  310   1HD2  ASN  66          1HD2      ASN  66   5.753  -3.322   9.313
  311   2HD2  ASN  66          2HD2      ASN  66   7.338  -3.822   9.851
  312    H    GLY  67           H        GLY  67   2.512  -6.034   6.804
  313   1HA   GLY  67          1HA       GLY  67   0.401  -5.193   6.264
  314   2HA   GLY  67          2HA       GLY  67  -0.111  -6.729   6.824
  315    H    GLN  68           H        GLN  68  -2.005  -6.157   8.108
  316    HA   GLN  68           HA       GLN  68  -1.987  -4.787  10.532
  317   1HB   GLN  68          2HB       GLN  68  -1.473  -2.693   9.439
  318   2HB   GLN  68          3HB       GLN  68  -2.725  -2.914   8.226
  319   1HG   GLN  68          2HG       GLN  68  -4.243  -1.924   9.622
  320   2HG   GLN  68          3HG       GLN  68  -3.779  -2.922  11.004
  321   1HE2  GLN  68          1HE2      GLN  68  -3.740   0.251   9.620
  322   2HE2  GLN  68          2HE2      GLN  68  -2.551   0.908  10.737
  323    H    GLY  69           H        GLY  69  -3.996  -5.370  11.569
  324   1HA   GLY  69          1HA       GLY  69  -5.845  -6.663  11.751
  325   2HA   GLY  69          2HA       GLY  69  -6.507  -5.434  10.672
  326    H    GLY  70           H        GLY  70  -7.442  -6.223   8.857
  327   1HA   GLY  70          1HA       GLY  70  -7.375  -9.030   8.177
  328   2HA   GLY  70          2HA       GLY  70  -8.154  -7.731   7.264
  329    H    MET  71           H        MET  71  -5.301  -6.391   7.289
  330    HA   MET  71           HA       MET  71  -4.637  -7.251   4.630
  331   1HB   MET  71          1HB       MET  71  -4.516  -4.912   5.512
  332   2HB   MET  71          2HB       MET  71  -3.146  -5.362   6.483
  333   1HG   MET  71          1HG       MET  71  -1.802  -5.957   4.704
  334   2HG   MET  71          2HG       MET  71  -3.073  -5.819   3.507
  335   1HE   MET  71          1HE       MET  71  -0.180  -3.159   3.030
  336   2HE   MET  71          2HE       MET  71   0.014  -4.572   4.091
  337   3HE   MET  71          3HE       MET  71  -0.855  -4.753   2.563
  338    HA   PRO  72           HA       PRO  72  -1.774 -10.274   6.423
  339   1HB   PRO  72          2HB       PRO  72  -0.916 -11.476   4.083
  340   2HB   PRO  72          3HB       PRO  72  -2.384 -11.834   5.036
  341   1HG   PRO  72          2HG       PRO  72  -2.060 -10.259   2.482
  342   2HG   PRO  72          3HG       PRO  72  -3.454 -11.256   2.961
  343   1HD   PRO  72          2HD       PRO  72  -3.299  -8.438   3.167
  344   2HD   PRO  72          3HD       PRO  72  -4.434  -9.454   4.059
  345    H    GLY  73           H        GLY  73   0.029  -9.485   7.155
  346   1HA   GLY  73          1HA       GLY  73   1.655  -7.695   5.867
  347   2HA   GLY  73          2HA       GLY  73   2.229  -8.695   7.255
  348    H    GLY  74           H        GLY  74   3.338  -7.453   4.762
  349   1HA   GLY  74          1HA       GLY  74   5.187  -8.104   3.440
  350   2HA   GLY  74          2HA       GLY  74   5.046  -9.751   4.085
  351    H    ILE  75           H        ILE  75   2.733  -7.680   2.397
  352    HA   ILE  75           HA       ILE  75   2.099  -9.622   0.319
  353    HB   ILE  75           HB       ILE  75   1.156  -6.951   1.288
  354   1HG1  ILE  75          2HG1      ILE  75  -0.408  -9.165  -0.031
  355   2HG1  ILE  75          3HG1      ILE  75   0.181  -9.332   1.625
  356   1HG2  ILE  75          1HG2      ILE  75  -0.117  -6.609  -0.928
  357   2HG2  ILE  75          2HG2      ILE  75   1.607  -6.375  -1.139
  358   3HG2  ILE  75          3HG2      ILE  75   0.847  -7.896  -1.643
  359   1HD1  ILE  75          1HD1      ILE  75  -1.125  -7.535   2.428
  360   2HD1  ILE  75          2HD1      ILE  75  -1.331  -6.839   0.838
  361   3HD1  ILE  75          3HD1      ILE  75  -2.190  -8.327   1.239
  362    H    ALA  76           H        ALA  76   3.633  -6.347   0.144
  363    HA   ALA  76           HA       ALA  76   5.416  -7.329  -2.052
  364   1HB   ALA  76          1HB       ALA  76   4.102  -5.356  -2.636
  365   2HB   ALA  76          2HB       ALA  76   4.646  -4.518  -1.165
  366   3HB   ALA  76          3HB       ALA  76   5.805  -4.911  -2.449
  367    H    LYS  77           H        LYS  77   7.720  -6.672  -1.841
  368    HA   LYS  77           HA       LYS  77   8.754  -5.959   0.834
  369   1HB   LYS  77          2HB       LYS  77   9.344  -8.520  -0.699
  370   2HB   LYS  77          3HB       LYS  77  10.502  -7.876   0.460
  371   1HG   LYS  77          2HG       LYS  77   9.336  -8.463   2.297
  372   2HG   LYS  77          3HG       LYS  77   7.811  -8.022   1.592
  373   1HD   LYS  77          2HD       LYS  77   8.398 -10.294   0.103
  374   2HD   LYS  77          3HD       LYS  77   9.153 -10.684   1.665
  375   1HE   LYS  77          2HE       LYS  77   7.004 -10.154   2.813
  376   2HE   LYS  77          3HE       LYS  77   6.340  -9.584   1.262
  377   1HZ   LYS  77          1HZ       LYS  77   6.548 -11.865   0.448
  378   2HZ   LYS  77          2HZ       LYS  77   6.860 -12.363   2.000
  379   3HZ   LYS  77          3HZ       LYS  77   5.442 -11.578   1.629
  380    H    GLY  78           H        GLY  78  11.219  -5.622   0.628
  381   1HA   GLY  78          1HA       GLY  78  12.975  -4.511  -0.367
  382   2HA   GLY  78          2HA       GLY  78  12.560  -5.456  -1.809
  383    H    ALA  79           H        ALA  79  13.150  -3.679  -3.180
  384    HA   ALA  79           HA       ALA  79  12.039  -1.107  -3.220
  385   1HB   ALA  79          1HB       ALA  79  13.798  -1.684  -4.733
  386   2HB   ALA  79          2HB       ALA  79  12.789  -2.919  -5.533
  387   3HB   ALA  79          3HB       ALA  79  12.377  -1.196  -5.674
  388    H    GLU  80           H        GLU  80  10.515  -4.212  -4.020
  389    HA   GLU  80           HA       GLU  80   8.323  -3.226  -5.478
  390   1HB   GLU  80          2HB       GLU  80   9.141  -5.739  -4.844
  391   2HB   GLU  80          3HB       GLU  80   7.866  -5.545  -3.621
  392   1HG   GLU  80          2HG       GLU  80   6.280  -4.931  -5.346
  393   2HG   GLU  80          3HG       GLU  80   7.528  -5.146  -6.593
  394    H    ALA  81           H        ALA  81   8.915  -3.465  -1.971
  395    HA   ALA  81           HA       ALA  81   6.274  -2.253  -1.362
  396   1HB   ALA  81          1HB       ALA  81   8.524  -3.098   0.490
  397   2HB   ALA  81          2HB       ALA  81   6.922  -2.477   0.963
  398   3HB   ALA  81          3HB       ALA  81   7.046  -4.006   0.100
  399    H    GLU  82           H        GLU  82   9.766  -1.373  -0.950
  400    HA   GLU  82           HA       GLU  82   9.350   1.146   0.220
  401   1HB   GLU  82          2HB       GLU  82  11.583  -0.084  -1.381
  402   2HB   GLU  82          3HB       GLU  82  11.600   1.664  -1.136
  403   1HG   GLU  82          2HG       GLU  82  11.461   1.352   1.289
  404   2HG   GLU  82          3HG       GLU  82  11.508  -0.415   1.075
  405    H    ALA  83           H        ALA  83   9.614   0.400  -3.307
  406    HA   ALA  83           HA       ALA  83   9.415   3.109  -4.150
  407   1HB   ALA  83          1HB       ALA  83  10.140   1.230  -5.618
  408   2HB   ALA  83          2HB       ALA  83   8.467   0.621  -5.641
  409   3HB   ALA  83          3HB       ALA  83   8.847   2.207  -6.336
  410    H    VAL  84           H        VAL  84   6.934   0.591  -3.553
  411    HA   VAL  84           HA       VAL  84   4.667   2.127  -4.325
  412    HB   VAL  84           HB       VAL  84   5.005  -0.234  -2.443
  413   1HG1  VAL  84          1HG1      VAL  84   2.517  -0.454  -2.702
  414   2HG1  VAL  84          2HG1      VAL  84   3.000   0.914  -1.676
  415   3HG1  VAL  84          3HG1      VAL  84   2.488   1.194  -3.353
  416   1HG2  VAL  84          1HG2      VAL  84   3.787   0.093  -5.213
  417   2HG2  VAL  84          2HG2      VAL  84   5.406  -0.549  -4.915
  418   3HG2  VAL  84          3HG2      VAL  84   3.982  -1.413  -4.298
  419    H    ALA  85           H        ALA  85   5.936   1.546  -1.033
  420    HA   ALA  85           HA       ALA  85   4.337   3.312   0.371
  421   1HB   ALA  85          1HB       ALA  85   7.314   2.813   0.829
  422   2HB   ALA  85          2HB       ALA  85   6.159   3.455   2.010
  423   3HB   ALA  85          3HB       ALA  85   5.985   1.792   1.415
  424    H    ALA  86           H        ALA  86   7.466   4.164  -1.200
  425    HA   ALA  86           HA       ALA  86   7.347   6.930  -0.475
  426   1HB   ALA  86          1HB       ALA  86   8.844   5.567  -2.744
  427   2HB   ALA  86          2HB       ALA  86   9.137   7.214  -2.134
  428   3HB   ALA  86          3HB       ALA  86   9.425   5.815  -1.082
  429    H    TRP  87           H        TRP  87   6.303   5.221  -3.439
  430    HA   TRP  87           HA       TRP  87   5.512   7.501  -4.951
  431   1HB   TRP  87          2HB       TRP  87   5.857   5.297  -5.872
  432   2HB   TRP  87          3HB       TRP  87   4.592   4.619  -4.854
  433    HD1  TRP  87           HD1      TRP  87   4.987   6.924  -7.886
  434    HE1  TRP  87           HE1      TRP  87   2.971   6.576  -9.435
  435    HE3  TRP  87           HE3      TRP  87   2.230   3.867  -4.896
  436    HZ2  TRP  87           HZ2      TRP  87   0.413   5.198  -9.330
  437    HZ3  TRP  87           HZ3      TRP  87  -0.024   3.117  -5.587
  438    HH2  TRP  87           HH2      TRP  87  -0.895   3.683  -7.852
  439    H    LEU  88           H        LEU  88   3.667   5.363  -2.745
  440    HA   LEU  88           HA       LEU  88   1.329   6.995  -2.786
  441   1HB   LEU  88          2HB       LEU  88   2.231   4.702  -1.085
  442   2HB   LEU  88          3HB       LEU  88   0.976   5.751  -0.448
  443    HG   LEU  88           HG       LEU  88   0.328   5.181  -3.239
  444   1HD1  LEU  88          1HD1      LEU  88   1.665   3.202  -2.867
  445   2HD1  LEU  88          2HD1      LEU  88   0.664   2.767  -1.459
  446   3HD1  LEU  88          3HD1      LEU  88  -0.066   2.839  -3.093
  447   1HD2  LEU  88          1HD2      LEU  88  -1.243   5.939  -1.495
  448   2HD2  LEU  88          2HD2      LEU  88  -1.767   4.410  -2.234
  449   3HD2  LEU  88          3HD2      LEU  88  -1.019   4.399  -0.626
  450    H    ALA  89           H        ALA  89   4.274   7.248  -0.819
  451    HA   ALA  89           HA       ALA  89   3.287   9.164   0.996
  452   1HB   ALA  89          1HB       ALA  89   5.485   9.819   1.406
  453   2HB   ALA  89          2HB       ALA  89   5.495   8.086   1.041
  454   3HB   ALA  89          3HB       ALA  89   6.065   9.267  -0.168
  455    H    GLU  90           H        GLU  90   4.256   9.456  -2.415
  456    HA   GLU  90           HA       GLU  90   3.774  12.316  -2.490
  457   1HB   GLU  90          2HB       GLU  90   5.137  10.569  -4.160
  458   2HB   GLU  90          3HB       GLU  90   3.662  10.903  -5.078
  459   1HG   GLU  90          2HG       GLU  90   4.085  13.381  -4.658
  460   2HG   GLU  90          3HG       GLU  90   5.635  12.924  -3.919
  461    H    LYS  91           H        LYS  91   1.812   9.380  -3.183
  462    HA   LYS  91           HA       LYS  91  -0.389  10.937  -4.272
  463   1HB   LYS  91          2HB       LYS  91  -0.338   8.084  -3.247
  464   2HB   LYS  91          3HB       LYS  91  -1.686   8.852  -3.971
  465   1HG   LYS  91          2HG       LYS  91  -0.075   9.432  -5.988
  466   2HG   LYS  91          3HG       LYS  91   1.001   8.260  -5.244
  467   1HD   LYS  91          2HD       LYS  91  -0.110   7.122  -6.942
  468   2HD   LYS  91          3HD       LYS  91  -0.848   6.521  -5.464
  469   1HE   LYS  91          2HE       LYS  91  -2.033   8.686  -7.312
  470   2HE   LYS  91          3HE       LYS  91  -2.423   6.967  -7.405
  471   1HZ   LYS  91          1HZ       LYS  91  -3.082   8.775  -5.165
  472   2HZ   LYS  91          2HZ       LYS  91  -4.152   7.989  -6.048
  473   3HZ   LYS  91          3HZ       LYS  91  -3.219   7.158  -5.066
  474    H    LYS  92           H        LYS  92  -1.736  12.240  -3.212
  475    HA   LYS  92           HA       LYS  92  -2.259  11.900  -0.302
  476   1HB   LYS  92          2HB       LYS  92  -1.688  14.416  -1.903
  477   2HB   LYS  92          3HB       LYS  92  -2.209  14.384  -0.209
  478   1HG   LYS  92          2HG       LYS  92  -0.161  13.267   0.485
  479   2HG   LYS  92          3HG       LYS  92   0.315  12.990  -1.186
  480   1HD   LYS  92          2HD       LYS  92   0.284  15.551  -1.490
  481   2HD   LYS  92          3HD       LYS  92   0.260  15.625   0.289
  482   1HE   LYS  92          2HE       LYS  92   2.313  14.067   0.246
  483   2HE   LYS  92          3HE       LYS  92   2.317  14.223  -1.517
  484   1HZ   LYS  92          1HZ       LYS  92   2.682  16.433   0.385
  485   2HZ   LYS  92          2HZ       LYS  92   3.853  15.714  -0.521
  486   3HZ   LYS  92          3HZ       LYS  92   2.664  16.576  -1.260
  487    HHA  HEC  93           HHA      HEC  93  -4.860  -0.516   6.374
  488    HHB  HEC  93           HHB      HEC  93  -0.512   0.644   1.813
  489    HHC  HEC  93           HHC      HEC  93  -1.884  -5.160  -0.743
  490    HHD  HEC  93           HHD      HEC  93  -6.978  -5.611   3.107
  491   1HMA  HEC  93          1HMA      HEC  93  -1.348   3.074   4.592
  492   2HMA  HEC  93          2HMA      HEC  93  -0.029   1.899   4.496
  493   3HMA  HEC  93          3HMA      HEC  93  -0.777   2.561   3.022
  494   1HAA  HEC  93          1HAA      HEC  93  -2.585   2.515   6.298
  495   2HAA  HEC  93          2HAA      HEC  93  -3.104   1.059   7.097
  496   1HBA  HEC  93          1HBA      HEC  93  -5.188   1.846   5.232
  497   2HBA  HEC  93          2HBA      HEC  93  -4.718   3.277   6.113
  498   1HMB  HEC  93          1HMB      HEC  93   0.521   0.550  -0.021
  499   2HMB  HEC  93          2HMB      HEC  93   1.460  -0.729  -0.757
  500   3HMB  HEC  93          3HMB      HEC  93   0.045  -0.047  -1.591
  501    HAB  HEC  93           HAB      HEC  93  -0.333  -4.305  -1.883
  502   1HBB  HEC  93          1HBB      HEC  93   2.143  -2.628  -1.417
  503   2HBB  HEC  93          2HBB      HEC  93   1.762  -4.138  -0.577
  504   3HBB  HEC  93          3HBB      HEC  93   1.973  -4.117  -2.340
  505   1HMC  HEC  93          1HMC      HEC  93  -2.766  -7.306  -0.922
  506   2HMC  HEC  93          2HMC      HEC  93  -4.362  -8.034  -0.838
  507   3HMC  HEC  93          3HMC      HEC  93  -4.128  -6.548  -1.776
  508    HAC  HEC  93           HAC      HEC  93  -7.252  -7.019   1.584
  509   1HBC  HEC  93          1HBC      HEC  93  -5.098  -9.066   1.002
  510   2HBC  HEC  93          2HBC      HEC  93  -5.922  -8.711   2.535
  511   3HBC  HEC  93          3HBC      HEC  93  -6.829  -9.416   1.193
  512   1HMD  HEC  93          1HMD      HEC  93  -8.380  -5.302   4.678
  513   2HMD  HEC  93          2HMD      HEC  93  -7.967  -5.016   6.365
  514   3HMD  HEC  93          3HMD      HEC  93  -9.023  -3.887   5.505
  515   1HAD  HEC  93          1HAD      HEC  93  -8.098  -2.268   7.091
  516   2HAD  HEC  93          2HAD      HEC  93  -6.757  -1.156   7.324
  517   1HBD  HEC  93          1HBD      HEC  93  -5.393  -2.953   8.240
  518   2HBD  HEC  93          2HBD      HEC  93  -6.636  -4.137   7.925
  Start of MODEL    6
    1   1H    VAL  22          H1        VAL  22  11.752   0.031 -10.310
    2   2H    VAL  22          H2        VAL  22  11.517   0.175  -8.691
    3   3H    VAL  22          H3        VAL  22  12.524  -1.017  -9.278
    4    HA   VAL  22           HA       VAL  22  10.558  -1.959 -10.409
    5    HB   VAL  22           HB       VAL  22  10.731  -1.746  -7.379
    6   1HG1  VAL  22          1HG1      VAL  22   8.621  -3.236  -8.981
    7   2HG1  VAL  22          2HG1      VAL  22   9.051  -3.636  -7.310
    8   3HG1  VAL  22          3HG1      VAL  22   8.401  -2.034  -7.679
    9   1HG2  VAL  22          1HG2      VAL  22  11.328  -4.147  -7.604
   10   2HG2  VAL  22          2HG2      VAL  22  11.149  -4.033  -9.362
   11   3HG2  VAL  22          3HG2      VAL  22  12.435  -3.125  -8.532
   12    H    ASP  23           H        ASP  23   8.676  -1.318 -11.322
   13    HA   ASP  23           HA       ASP  23   7.745   1.268 -10.961
   14   1HB   ASP  23          2HB       ASP  23   6.506  -1.108 -12.390
   15   2HB   ASP  23          3HB       ASP  23   6.134   0.600 -12.689
   16    H    ALA  24           H        ALA  24   7.037   1.705  -8.940
   17    HA   ALA  24           HA       ALA  24   5.552   0.337  -7.136
   18   1HB   ALA  24          1HB       ALA  24   4.667   2.581  -6.404
   19   2HB   ALA  24          2HB       ALA  24   6.428   2.520  -6.632
   20   3HB   ALA  24          3HB       ALA  24   5.398   3.293  -7.855
   21    H    GLU  25           H        GLU  25   4.071   2.434  -9.669
   22    HA   GLU  25           HA       GLU  25   1.383   1.848  -9.142
   23   1HB   GLU  25          2HB       GLU  25   1.207   2.246 -11.733
   24   2HB   GLU  25          3HB       GLU  25   1.583   3.575 -10.642
   25   1HG   GLU  25          2HG       GLU  25   3.818   3.707 -11.290
   26   2HG   GLU  25          3HG       GLU  25   3.860   2.042 -11.901
   27    H    ALA  26           H        ALA  26   3.636   0.066 -11.344
   28    HA   ALA  26           HA       ALA  26   1.686  -1.762 -12.308
   29   1HB   ALA  26          1HB       ALA  26   4.659  -2.292 -11.981
   30   2HB   ALA  26          2HB       ALA  26   3.543  -3.064 -13.113
   31   3HB   ALA  26          3HB       ALA  26   3.957  -1.347 -13.319
   32    H    VAL  27           H        VAL  27   4.004  -1.955  -9.601
   33    HA   VAL  27           HA       VAL  27   3.350  -4.596  -8.711
   34    HB   VAL  27           HB       VAL  27   4.372  -2.106  -7.267
   35   1HG1  VAL  27          1HG1      VAL  27   4.560  -4.936  -6.258
   36   2HG1  VAL  27          2HG1      VAL  27   5.037  -3.452  -5.426
   37   3HG1  VAL  27          3HG1      VAL  27   3.329  -3.803  -5.641
   38   1HG2  VAL  27          1HG2      VAL  27   6.514  -3.121  -7.496
   39   2HG2  VAL  27          2HG2      VAL  27   5.849  -4.625  -8.162
   40   3HG2  VAL  27          3HG2      VAL  27   5.813  -3.130  -9.111
   41    H    VAL  28           H        VAL  28   2.135  -1.406  -7.591
   42    HA   VAL  28           HA       VAL  28   0.259  -2.358  -5.743
   43    HB   VAL  28           HB       VAL  28   0.440   0.121  -7.463
   44   1HG1  VAL  28          1HG1      VAL  28  -1.975  -0.561  -6.177
   45   2HG1  VAL  28          2HG1      VAL  28  -1.233   0.617  -5.121
   46   3HG1  VAL  28          3HG1      VAL  28  -1.480   0.992  -6.832
   47   1HG2  VAL  28          1HG2      VAL  28   0.778   0.273  -4.508
   48   2HG2  VAL  28          2HG2      VAL  28   1.967  -0.718  -5.340
   49   3HG2  VAL  28          3HG2      VAL  28   1.756   0.959  -5.816
   50    H    GLN  29           H        GLN  29  -0.156  -1.615  -9.180
   51    HA   GLN  29           HA       GLN  29  -2.823  -2.266  -9.564
   52   1HB   GLN  29          2HB       GLN  29  -0.409  -2.424 -11.350
   53   2HB   GLN  29          3HB       GLN  29  -1.985  -2.950 -11.919
   54   1HG   GLN  29          2HG       GLN  29  -1.583  -0.182 -10.703
   55   2HG   GLN  29          3HG       GLN  29  -1.265  -0.528 -12.405
   56   1HE2  GLN  29          1HE2      GLN  29  -3.794  -0.037 -10.003
   57   2HE2  GLN  29          2HE2      GLN  29  -5.114  -0.132 -11.147
   58    H    GLN  30           H        GLN  30  -0.224  -4.512  -8.766
   59    HA   GLN  30           HA       GLN  30  -2.306  -6.570  -8.794
   60   1HB   GLN  30          2HB       GLN  30  -0.999  -6.574 -10.967
   61   2HB   GLN  30          3HB       GLN  30   0.408  -7.136 -10.062
   62   1HG   GLN  30          2HG       GLN  30  -0.514  -9.212  -9.643
   63   2HG   GLN  30          3HG       GLN  30  -2.180  -8.618  -9.614
   64   1HE2  GLN  30          1HE2      GLN  30  -1.500 -10.988 -10.921
   65   2HE2  GLN  30          2HE2      GLN  30  -1.812 -10.727 -12.635
   66    H    LYS  31           H        LYS  31  -1.408  -5.156  -6.679
   67    HA   LYS  31           HA       LYS  31  -0.931  -7.407  -4.925
   68   1HB   LYS  31          2HB       LYS  31   1.248  -5.317  -5.182
   69   2HB   LYS  31          3HB       LYS  31   0.864  -5.959  -3.604
   70   1HG   LYS  31          2HG       LYS  31   2.069  -7.772  -3.911
   71   2HG   LYS  31          3HG       LYS  31   1.078  -8.257  -5.287
   72   1HD   LYS  31          2HD       LYS  31   2.446  -6.625  -6.707
   73   2HD   LYS  31          3HD       LYS  31   3.512  -6.458  -5.289
   74   1HE   LYS  31          2HE       LYS  31   2.907  -9.144  -6.599
   75   2HE   LYS  31          3HE       LYS  31   4.222  -8.094  -7.134
   76   1HZ   LYS  31          1HZ       LYS  31   5.039  -9.654  -5.534
   77   2HZ   LYS  31          2HZ       LYS  31   5.181  -8.116  -4.968
   78   3HZ   LYS  31          3HZ       LYS  31   4.002  -9.100  -4.375
   79    H    CYS  32           H        CYS  32  -1.409  -3.839  -5.215
   80    HA   CYS  32           HA       CYS  32  -2.627  -3.897  -2.508
   81   1HB   CYS  32          2HB       CYS  32  -2.187  -1.441  -4.154
   82   2HB   CYS  32          3HB       CYS  32  -2.403  -1.615  -2.414
   83    H    ILE  33           H        ILE  33  -3.364  -2.901  -5.844
   84    HA   ILE  33           HA       ILE  33  -5.954  -2.016  -5.205
   85    HB   ILE  33           HB       ILE  33  -6.462  -2.027  -7.511
   86   1HG1  ILE  33          2HG1      ILE  33  -4.827  -2.756  -9.226
   87   2HG1  ILE  33          3HG1      ILE  33  -4.112  -3.840  -8.000
   88   1HG2  ILE  33          1HG2      ILE  33  -3.534  -1.354  -7.469
   89   2HG2  ILE  33          2HG2      ILE  33  -4.860  -0.455  -8.200
   90   3HG2  ILE  33          3HG2      ILE  33  -4.672  -0.461  -6.444
   91   1HD1  ILE  33          1HD1      ILE  33  -5.799  -4.726  -9.734
   92   2HD1  ILE  33          2HD1      ILE  33  -6.121  -5.193  -8.072
   93   3HD1  ILE  33          3HD1      ILE  33  -7.055  -3.872  -8.821
   94    H    SER  34           H        SER  34  -4.801  -5.282  -5.700
   95    HA   SER  34           HA       SER  34  -6.958  -6.825  -6.185
   96   1HB   SER  34          2HB       SER  34  -4.938  -7.209  -3.933
   97   2HB   SER  34          3HB       SER  34  -5.905  -8.476  -4.716
   98    HG   SER  34           HG       SER  34  -4.027  -8.468  -5.850
   99    H    CYS  35           H        CYS  35  -6.406  -4.965  -3.193
  100    HA   CYS  35           HA       CYS  35  -9.168  -5.730  -2.305
  101   1HB   CYS  35          2HB       CYS  35  -6.917  -4.864  -0.506
  102   2HB   CYS  35          3HB       CYS  35  -8.495  -5.541  -0.051
  103    H    HIS  36           HN       HIS  36  -6.665  -3.159  -2.406
  104    HA   HIS  36           HA       HIS  36  -8.420  -1.132  -1.356
  105   1HB   HIS  36          2HB       HIS  36  -5.674  -1.136  -2.660
  106   2HB   HIS  36          3HB       HIS  36  -6.475   0.331  -2.133
  107    HD1  HIS  36           HD1      HIS  36  -7.241   0.307   0.585
  108    HD2  HIS  36           HD2      HIS  36  -4.336  -2.426  -0.731
  109    HE1  HIS  36           1HE      HIS  36  -6.045  -0.497   2.664
  110    H    GLY  37           H        GLY  37  -8.310  -2.523  -4.476
  111   1HA   GLY  37          1HA       GLY  37  -9.815  -2.088  -6.151
  112   2HA   GLY  37          2HA       GLY  37 -10.186  -0.483  -5.486
  113    H    GLY  38           H        GLY  38  -9.466  -1.244  -8.251
  114   1HA   GLY  38          1HA       GLY  38  -6.934  -0.715  -9.205
  115   2HA   GLY  38          2HA       GLY  38  -8.415  -0.164  -9.975
  116    H    ASP  39           H        ASP  39  -9.307   1.604  -7.962
  117    HA   ASP  39           HA       ASP  39  -7.639   3.902  -8.702
  118   1HB   ASP  39          2HB       ASP  39 -10.142   3.588  -9.221
  119   2HB   ASP  39          3HB       ASP  39 -10.434   3.901  -7.509
  120    H    LEU  40           H        LEU  40  -7.820   1.822  -5.912
  121    HA   LEU  40           HA       LEU  40  -6.856   2.012  -3.977
  122   1HB   LEU  40          2HB       LEU  40  -6.022   4.865  -4.489
  123   2HB   LEU  40          3HB       LEU  40  -5.249   3.680  -3.467
  124    HG   LEU  40           HG       LEU  40  -5.351   3.260  -6.503
  125   1HD1  LEU  40          1HD1      LEU  40  -3.259   4.766  -4.933
  126   2HD1  LEU  40          2HD1      LEU  40  -3.147   4.250  -6.636
  127   3HD1  LEU  40          3HD1      LEU  40  -4.381   5.424  -6.157
  128   1HD2  LEU  40          1HD2      LEU  40  -3.398   2.260  -4.407
  129   2HD2  LEU  40          2HD2      LEU  40  -4.799   1.334  -4.989
  130   3HD2  LEU  40          3HD2      LEU  40  -3.521   1.803  -6.123
  131    H    THR  41           H        THR  41  -9.582   3.188  -4.743
  132    HA   THR  41           HA       THR  41 -10.222   5.283  -2.820
  133    HB   THR  41           HB       THR  41 -12.499   4.881  -3.998
  134    HG1  THR  41           1HG      THR  41 -12.181   2.814  -4.760
  135   1HG2  THR  41          1HG2      THR  41 -11.780   5.944  -6.112
  136   2HG2  THR  41          2HG2      THR  41 -11.026   6.713  -4.702
  137   3HG2  THR  41          3HG2      THR  41 -10.089   5.610  -5.719
  138    H    GLY  42           H        GLY  42  -9.845   1.947  -2.696
  139   1HA   GLY  42          1HA       GLY  42 -10.291   0.609  -0.873
  140   2HA   GLY  42          2HA       GLY  42 -11.659   1.621  -0.368
  141    H    ALA  43           H        ALA  43 -11.553  -1.196  -0.918
  142    HA   ALA  43           HA       ALA  43 -13.936  -1.423  -2.605
  143   1HB   ALA  43          1HB       ALA  43 -12.055  -3.506  -3.539
  144   2HB   ALA  43          2HB       ALA  43 -13.100  -2.404  -4.442
  145   3HB   ALA  43          3HB       ALA  43 -11.499  -1.874  -3.910
  146    H    SER  44           H        SER  44 -11.482  -3.756  -1.503
  147    HA   SER  44           HA       SER  44 -13.447  -5.051   0.355
  148   1HB   SER  44          2HB       SER  44 -11.153  -6.058  -1.300
  149   2HB   SER  44          3HB       SER  44 -11.382  -6.792   0.288
  150    HG   SER  44           HG       SER  44 -13.497  -6.476  -1.573
  151    H    ALA  45           H        ALA  45 -11.395  -2.559   0.494
  152    HA   ALA  45           HA       ALA  45 -10.476  -3.014   3.210
  153   1HB   ALA  45          1HB       ALA  45  -8.488  -2.540   0.924
  154   2HB   ALA  45          2HB       ALA  45  -8.118  -2.907   2.611
  155   3HB   ALA  45          3HB       ALA  45  -8.826  -4.147   1.609
  156    HA   PRO  46           HA       PRO  46 -11.119   1.325   3.189
  157   1HB   PRO  46          2HB       PRO  46  -9.116   2.461   4.718
  158   2HB   PRO  46          3HB       PRO  46 -10.421   1.439   5.387
  159   1HG   PRO  46          2HG       PRO  46  -7.591   0.654   4.724
  160   2HG   PRO  46          3HG       PRO  46  -8.563   0.209   6.154
  161   1HD   PRO  46          2HD       PRO  46  -8.190  -1.370   3.966
  162   2HD   PRO  46          3HD       PRO  46  -9.670  -1.499   4.962
  163    H    ALA  47           H        ALA  47 -10.386   3.467   2.368
  164    HA   ALA  47           HA       ALA  47  -8.897   3.132  -0.087
  165   1HB   ALA  47          1HB       ALA  47  -9.851   5.698   1.236
  166   2HB   ALA  47          2HB       ALA  47  -9.490   5.420  -0.483
  167   3HB   ALA  47          3HB       ALA  47 -10.885   4.619   0.282
  168    H    ILE  48           H        ILE  48  -6.801   3.491  -0.460
  169    HA   ILE  48           HA       ILE  48  -5.116   4.783   1.656
  170    HB   ILE  48           HB       ILE  48  -3.223   3.468   0.846
  171   1HG1  ILE  48          2HG1      ILE  48  -5.234   1.842  -0.751
  172   2HG1  ILE  48          3HG1      ILE  48  -4.101   3.015  -1.437
  173   1HG2  ILE  48          1HG2      ILE  48  -4.388   2.800   2.840
  174   2HG2  ILE  48          2HG2      ILE  48  -5.627   1.942   1.911
  175   3HG2  ILE  48          3HG2      ILE  48  -3.961   1.346   1.937
  176   1HD1  ILE  48          1HD1      ILE  48  -3.381   0.434  -0.019
  177   2HD1  ILE  48          2HD1      ILE  48  -3.085   0.883  -1.703
  178   3HD1  ILE  48          3HD1      ILE  48  -2.201   1.698  -0.399
  179    H    ASP  49           H        ASP  49  -6.597   5.443  -1.154
  180    HA   ASP  49           HA       ASP  49  -4.961   6.697  -2.929
  181   1HB   ASP  49          2HB       ASP  49  -6.799   8.233  -3.255
  182   2HB   ASP  49          3HB       ASP  49  -7.477   6.639  -2.915
  183    H    LYS  50           H        LYS  50  -5.896   7.923   0.297
  184    HA   LYS  50           HA       LYS  50  -3.817  10.065   0.127
  185   1HB   LYS  50          2HB       LYS  50  -5.199  11.232   1.798
  186   2HB   LYS  50          3HB       LYS  50  -6.093  10.917   0.307
  187   1HG   LYS  50          2HG       LYS  50  -7.430   9.238   1.278
  188   2HG   LYS  50          3HG       LYS  50  -6.288   8.915   2.581
  189   1HD   LYS  50          2HD       LYS  50  -8.121   9.996   3.561
  190   2HD   LYS  50          3HD       LYS  50  -6.803  11.189   3.528
  191   1HE   LYS  50          2HE       LYS  50  -7.815  12.191   1.448
  192   2HE   LYS  50          3HE       LYS  50  -9.106  10.981   1.506
  193   1HZ   LYS  50          1HZ       LYS  50  -9.813  13.039   2.455
  194   2HZ   LYS  50          2HZ       LYS  50  -9.767  11.895   3.637
  195   3HZ   LYS  50          3HZ       LYS  50  -8.584  13.040   3.548
  196    H    ALA  51           H        ALA  51  -3.280   7.232   0.881
  197    HA   ALA  51           HA       ALA  51  -2.899   7.090   3.705
  198   1HB   ALA  51          1HB       ALA  51  -1.300   5.818   1.452
  199   2HB   ALA  51          2HB       ALA  51  -1.178   5.402   3.183
  200   3HB   ALA  51          3HB       ALA  51  -2.695   5.126   2.317
  201    H    GLY  52           H        GLY  52  -0.838   8.418   1.061
  202   1HA   GLY  52          1HA       GLY  52   1.481   8.946   2.465
  203   2HA   GLY  52          2HA       GLY  52   0.875   9.891   1.089
  204    H    ALA  53           H        ALA  53  -1.534  10.771   2.633
  205    HA   ALA  53           HA       ALA  53  -0.291  13.097   3.973
  206   1HB   ALA  53          1HB       ALA  53  -2.251  13.560   2.660
  207   2HB   ALA  53          2HB       ALA  53  -3.178  12.274   3.472
  208   3HB   ALA  53          3HB       ALA  53  -2.692  13.730   4.366
  209    H    ASN  54           H        ASN  54  -2.120  10.159   4.825
  210    HA   ASN  54           HA       ASN  54  -2.481  10.879   7.616
  211   1HB   ASN  54          2HB       ASN  54  -2.710   8.237   6.100
  212   2HB   ASN  54          3HB       ASN  54  -2.975   8.399   7.835
  213   1HD2  ASN  54          1HD2      ASN  54  -4.315   9.324   4.620
  214   2HD2  ASN  54          2HD2      ASN  54  -5.891   9.690   5.311
  215    H    TYR  55           H        TYR  55  -0.185   8.828   5.810
  216    HA   TYR  55           HA       TYR  55   1.588   8.541   8.190
  217   1HB   TYR  55          2HB       TYR  55   0.839   6.352   6.231
  218   2HB   TYR  55          3HB       TYR  55   1.666   6.165   7.768
  219    HD1  TYR  55           HD1      TYR  55  -1.121   5.135   6.271
  220    HD2  TYR  55           HD2      TYR  55  -0.030   7.429   9.758
  221    HE1  TYR  55           HE1      TYR  55  -3.227   4.453   7.392
  222    HE2  TYR  55           HE2      TYR  55  -2.136   6.724  10.866
  223    HH   TYR  55           HH       TYR  55  -4.224   4.189   9.474
  224    H    SER  56           H        SER  56   3.813   8.779   7.556
  225    HA   SER  56           HA       SER  56   4.326   9.644   4.809
  226   1HB   SER  56          2HB       SER  56   6.728   9.712   5.814
  227   2HB   SER  56          3HB       SER  56   5.502  10.799   6.476
  228    HG   SER  56           HG       SER  56   6.257   8.307   7.615
  229    H    GLU  57           H        GLU  57   6.413   8.637   3.731
  230    HA   GLU  57           HA       GLU  57   5.823   6.061   2.845
  231   1HB   GLU  57          2HB       GLU  57   8.145   5.963   2.036
  232   2HB   GLU  57          3HB       GLU  57   7.198   7.338   1.496
  233   1HG   GLU  57          2HG       GLU  57   9.026   7.718   3.843
  234   2HG   GLU  57          3HG       GLU  57   9.639   7.639   2.197
  235    H    GLU  58           H        GLU  58   8.070   7.018   5.452
  236    HA   GLU  58           HA       GLU  58   9.048   4.448   6.037
  237   1HB   GLU  58          2HB       GLU  58   8.743   6.952   7.746
  238   2HB   GLU  58          3HB       GLU  58   9.600   5.498   8.280
  239   1HG   GLU  58          2HG       GLU  58  11.132   5.641   6.360
  240   2HG   GLU  58          3HG       GLU  58  10.295   7.074   5.750
  241    H    GLU  59           H        GLU  59   5.907   5.872   6.882
  242    HA   GLU  59           HA       GLU  59   5.392   3.807   8.943
  243   1HB   GLU  59          2HB       GLU  59   3.811   6.209   7.965
  244   2HB   GLU  59          3HB       GLU  59   3.265   5.040   9.192
  245   1HG   GLU  59          2HG       GLU  59   5.469   5.641  10.439
  246   2HG   GLU  59          3HG       GLU  59   5.528   7.051   9.368
  247    H    ILE  60           H        ILE  60   4.256   4.899   5.717
  248    HA   ILE  60           HA       ILE  60   2.256   2.917   5.360
  249    HB   ILE  60           HB       ILE  60   3.971   4.404   3.346
  250   1HG1  ILE  60          2HG1      ILE  60   1.109   4.647   4.384
  251   2HG1  ILE  60          3HG1      ILE  60   2.455   5.726   4.701
  252   1HG2  ILE  60          1HG2      ILE  60   2.322   3.586   1.637
  253   2HG2  ILE  60          2HG2      ILE  60   3.285   2.294   2.315
  254   3HG2  ILE  60          3HG2      ILE  60   1.614   2.517   2.865
  255   1HD1  ILE  60          1HD1      ILE  60   1.129   6.766   3.035
  256   2HD1  ILE  60          2HD1      ILE  60   2.566   6.176   2.179
  257   3HD1  ILE  60          3HD1      ILE  60   1.014   5.299   2.064
  258    H    LEU  61           H        LEU  61   5.755   2.967   4.619
  259    HA   LEU  61           HA       LEU  61   5.925   0.462   3.406
  260   1HB   LEU  61          2HB       LEU  61   7.795   2.045   3.379
  261   2HB   LEU  61          3HB       LEU  61   7.955   1.941   5.139
  262    HG   LEU  61           HG       LEU  61   8.620  -0.428   4.969
  263   1HD1  LEU  61          1HD1      LEU  61   9.115  -1.391   2.700
  264   2HD1  LEU  61          2HD1      LEU  61   7.386  -1.134   2.955
  265   3HD1  LEU  61          3HD1      LEU  61   8.307   0.017   1.974
  266   1HD2  LEU  61          1HD2      LEU  61  10.797  -0.095   3.900
  267   2HD2  LEU  61          2HD2      LEU  61  10.191   1.364   3.084
  268   3HD2  LEU  61          3HD2      LEU  61  10.343   1.331   4.853
  269    H    ASP  62           H        ASP  62   6.237   1.368   6.888
  270    HA   ASP  62           HA       ASP  62   6.729  -1.181   7.888
  271   1HB   ASP  62          2HB       ASP  62   6.762   1.018   9.154
  272   2HB   ASP  62          3HB       ASP  62   4.996   0.887   9.296
  273    H    ILE  63           H        ILE  63   3.517   0.374   7.322
  274    HA   ILE  63           HA       ILE  63   1.984  -1.943   8.016
  275    HB   ILE  63           HB       ILE  63   1.331   0.309   6.088
  276   1HG1  ILE  63          2HG1      ILE  63   0.132  -0.061   8.795
  277   2HG1  ILE  63          3HG1      ILE  63   1.711   0.720   8.614
  278   1HG2  ILE  63          1HG2      ILE  63  -0.126  -1.399   5.387
  279   2HG2  ILE  63          2HG2      ILE  63  -0.327  -2.031   7.034
  280   3HG2  ILE  63          3HG2      ILE  63  -1.080  -0.505   6.575
  281   1HD1  ILE  63          1HD1      ILE  63   0.888   2.477   7.276
  282   2HD1  ILE  63          2HD1      ILE  63  -0.678   1.692   7.027
  283   3HD1  ILE  63          3HD1      ILE  63  -0.241   2.321   8.631
  284    H    ILE  64           H        ILE  64   3.220  -0.987   4.740
  285    HA   ILE  64           HA       ILE  64   2.146  -3.236   3.385
  286    HB   ILE  64           HB       ILE  64   4.641  -1.599   2.842
  287   1HG1  ILE  64          2HG1      ILE  64   1.912  -1.605   1.487
  288   2HG1  ILE  64          3HG1      ILE  64   2.352  -0.487   2.776
  289   1HG2  ILE  64          1HG2      ILE  64   4.941  -3.773   1.742
  290   2HG2  ILE  64          2HG2      ILE  64   3.294  -3.693   1.093
  291   3HG2  ILE  64          3HG2      ILE  64   4.545  -2.563   0.534
  292   1HD1  ILE  64          1HD1      ILE  64   4.310   0.278   1.391
  293   2HD1  ILE  64          2HD1      ILE  64   3.635  -0.638   0.030
  294   3HD1  ILE  64          3HD1      ILE  64   2.714   0.689   0.749
  295    H    LEU  65           H        LEU  65   5.167  -2.939   5.238
  296    HA   LEU  65           HA       LEU  65   6.062  -5.632   4.683
  297   1HB   LEU  65          2HB       LEU  65   6.874  -3.574   6.767
  298   2HB   LEU  65          3HB       LEU  65   7.672  -5.127   6.545
  299    HG   LEU  65           HG       LEU  65   7.511  -2.900   4.464
  300   1HD1  LEU  65          1HD1      LEU  65   8.996  -2.416   6.390
  301   2HD1  LEU  65          2HD1      LEU  65   9.856  -3.943   6.104
  302   3HD1  LEU  65          3HD1      LEU  65   9.914  -2.646   4.893
  303   1HD2  LEU  65          1HD2      LEU  65   9.238  -4.276   3.252
  304   2HD2  LEU  65          2HD2      LEU  65   8.833  -5.631   4.328
  305   3HD2  LEU  65          3HD2      LEU  65   7.610  -4.952   3.224
  306    H    ASN  66           H        ASN  66   3.876  -4.295   7.228
  307    HA   ASN  66           HA       ASN  66   4.321  -6.830   8.820
  308   1HB   ASN  66          2HB       ASN  66   3.716  -4.028   9.828
  309   2HB   ASN  66          3HB       ASN  66   3.894  -5.484  10.816
  310   1HD2  ASN  66          1HD2      ASN  66   5.483  -2.818  10.626
  311   2HD2  ASN  66          2HD2      ASN  66   7.121  -3.341  10.492
  312    H    GLY  67           H        GLY  67   2.508  -5.917   6.724
  313   1HA   GLY  67          1HA       GLY  67   0.366  -5.163   6.201
  314   2HA   GLY  67          2HA       GLY  67  -0.073  -6.705   6.791
  315    H    GLN  68           H        GLN  68  -2.006  -6.121   8.024
  316    HA   GLN  68           HA       GLN  68  -2.019  -4.630  10.417
  317   1HB   GLN  68          2HB       GLN  68  -1.591  -2.579   9.149
  318   2HB   GLN  68          3HB       GLN  68  -2.774  -2.987   7.944
  319   1HG   GLN  68          2HG       GLN  68  -4.242  -1.764   9.112
  320   2HG   GLN  68          3HG       GLN  68  -4.241  -2.921  10.412
  321   1HE2  GLN  68          1HE2      GLN  68  -4.462   0.072  10.410
  322   2HE2  GLN  68          2HE2      GLN  68  -3.279   0.539  11.629
  323    H    GLY  69           H        GLY  69  -4.150  -5.085  11.445
  324   1HA   GLY  69          1HA       GLY  69  -5.945  -6.404  11.659
  325   2HA   GLY  69          2HA       GLY  69  -6.566  -5.333  10.417
  326    H    GLY  70           H        GLY  70  -7.444  -6.371   8.672
  327   1HA   GLY  70          1HA       GLY  70  -7.174  -9.225   8.238
  328   2HA   GLY  70          2HA       GLY  70  -8.056  -8.046   7.257
  329    H    MET  71           H        MET  71  -5.328  -6.486   7.180
  330    HA   MET  71           HA       MET  71  -4.573  -7.388   4.566
  331   1HB   MET  71          1HB       MET  71  -4.576  -5.025   5.434
  332   2HB   MET  71          2HB       MET  71  -3.159  -5.404   6.373
  333   1HG   MET  71          1HG       MET  71  -1.840  -5.970   4.579
  334   2HG   MET  71          2HG       MET  71  -3.123  -5.807   3.399
  335   1HE   MET  71          1HE       MET  71  -0.072  -4.558   4.080
  336   2HE   MET  71          2HE       MET  71  -0.877  -4.542   2.513
  337   3HE   MET  71          3HE       MET  71  -0.223  -3.021   3.192
  338    HA   PRO  72           HA       PRO  72  -1.601 -10.226   6.505
  339   1HB   PRO  72          2HB       PRO  72  -0.750 -11.572   4.269
  340   2HB   PRO  72          3HB       PRO  72  -2.260 -11.837   5.177
  341   1HG   PRO  72          2HG       PRO  72  -1.804 -10.341   2.572
  342   2HG   PRO  72          3HG       PRO  72  -3.205 -11.359   3.001
  343   1HD   PRO  72          2HD       PRO  72  -3.080  -8.539   3.159
  344   2HD   PRO  72          3HD       PRO  72  -4.263  -9.526   4.006
  345    H    GLY  73           H        GLY  73   0.232  -9.436   7.146
  346   1HA   GLY  73          1HA       GLY  73   1.753  -7.600   5.801
  347   2HA   GLY  73          2HA       GLY  73   2.408  -8.577   7.166
  348    H    GLY  74           H        GLY  74   3.388  -7.302   4.659
  349   1HA   GLY  74          1HA       GLY  74   5.326  -7.872   3.408
  350   2HA   GLY  74          2HA       GLY  74   5.164  -9.559   3.916
  351    H    ILE  75           H        ILE  75   2.637  -7.638   2.414
  352    HA   ILE  75           HA       ILE  75   1.995  -9.441   0.311
  353    HB   ILE  75           HB       ILE  75   1.295  -6.693   1.268
  354   1HG1  ILE  75          2HG1      ILE  75  -0.578  -8.675   0.015
  355   2HG1  ILE  75          3HG1      ILE  75   0.118  -9.008   1.605
  356   1HG2  ILE  75          1HG2      ILE  75   1.720  -6.182  -1.194
  357   2HG2  ILE  75          2HG2      ILE  75   0.739  -7.588  -1.640
  358   3HG2  ILE  75          3HG2      ILE  75  -0.001  -6.191  -0.860
  359   1HD1  ILE  75          1HD1      ILE  75  -0.845  -7.094   2.590
  360   2HD1  ILE  75          2HD1      ILE  75  -1.086  -6.302   1.041
  361   3HD1  ILE  75          3HD1      ILE  75  -2.114  -7.666   1.475
  362    H    ALA  76           H        ALA  76   3.809  -6.367   0.187
  363    HA   ALA  76           HA       ALA  76   5.407  -7.339  -2.134
  364   1HB   ALA  76          1HB       ALA  76   6.221  -4.903  -2.011
  365   2HB   ALA  76          2HB       ALA  76   4.551  -5.156  -2.573
  366   3HB   ALA  76          3HB       ALA  76   4.870  -4.604  -0.913
  367    H    LYS  77           H        LYS  77   7.722  -7.325  -1.909
  368    HA   LYS  77           HA       LYS  77   8.909  -6.739   0.705
  369   1HB   LYS  77          2HB       LYS  77   8.792  -9.513  -0.517
  370   2HB   LYS  77          3HB       LYS  77  10.278  -8.989   0.260
  371   1HG   LYS  77          2HG       LYS  77   8.888  -8.400   2.341
  372   2HG   LYS  77          3HG       LYS  77   7.530  -9.157   1.515
  373   1HD   LYS  77          2HD       LYS  77   8.267 -10.883   2.818
  374   2HD   LYS  77          3HD       LYS  77   9.076 -11.272   1.310
  375   1HE   LYS  77          2HE       LYS  77  10.336  -9.783   3.696
  376   2HE   LYS  77          3HE       LYS  77  10.445 -11.526   3.446
  377   1HZ   LYS  77          1HZ       LYS  77  11.553  -9.510   1.621
  378   2HZ   LYS  77          2HZ       LYS  77  12.400 -10.414   2.693
  379   3HZ   LYS  77          3HZ       LYS  77  11.648 -11.144   1.427
  380    H    GLY  78           H        GLY  78  11.153  -6.406   0.570
  381   1HA   GLY  78          1HA       GLY  78  13.169  -5.899  -0.484
  382   2HA   GLY  78          2HA       GLY  78  12.507  -6.425  -2.042
  383    H    ALA  79           H        ALA  79  13.668  -4.317  -2.599
  384    HA   ALA  79           HA       ALA  79  12.858  -1.764  -1.905
  385   1HB   ALA  79          1HB       ALA  79  14.803  -2.245  -3.294
  386   2HB   ALA  79          2HB       ALA  79  13.755  -2.775  -4.631
  387   3HB   ALA  79          3HB       ALA  79  13.740  -1.079  -4.099
  388    H    GLU  80           H        GLU  80  11.121  -4.073  -3.894
  389    HA   GLU  80           HA       GLU  80   9.144  -2.643  -5.189
  390   1HB   GLU  80          2HB       GLU  80   9.394  -5.124  -5.126
  391   2HB   GLU  80          3HB       GLU  80   8.862  -5.136  -3.438
  392   1HG   GLU  80          2HG       GLU  80   6.638  -4.398  -4.079
  393   2HG   GLU  80          3HG       GLU  80   7.189  -4.146  -5.731
  394    H    ALA  81           H        ALA  81   9.157  -3.551  -1.703
  395    HA   ALA  81           HA       ALA  81   6.630  -2.313  -1.163
  396   1HB   ALA  81          1HB       ALA  81   8.877  -3.026   0.765
  397   2HB   ALA  81          2HB       ALA  81   7.184  -2.678   1.186
  398   3HB   ALA  81          3HB       ALA  81   7.577  -4.111   0.224
  399    H    GLU  82           H        GLU  82  10.004  -1.196  -0.625
  400    HA   GLU  82           HA       GLU  82   9.513   1.356   0.443
  401   1HB   GLU  82          2HB       GLU  82  11.722   0.003  -1.051
  402   2HB   GLU  82          3HB       GLU  82  11.676   1.743  -1.255
  403   1HG   GLU  82          2HG       GLU  82  11.605   2.016   1.221
  404   2HG   GLU  82          3HG       GLU  82  11.859   0.266   1.390
  405    H    ALA  83           H        ALA  83   9.884   0.467  -3.015
  406    HA   ALA  83           HA       ALA  83   9.400   3.030  -4.082
  407   1HB   ALA  83          1HB       ALA  83  10.309   1.342  -5.495
  408   2HB   ALA  83          2HB       ALA  83   8.944   0.241  -5.216
  409   3HB   ALA  83          3HB       ALA  83   8.711   1.727  -6.160
  410    H    VAL  84           H        VAL  84   7.052   0.362  -3.433
  411    HA   VAL  84           HA       VAL  84   4.765   1.806  -4.299
  412    HB   VAL  84           HB       VAL  84   5.007  -0.396  -2.212
  413   1HG1  VAL  84          1HG1      VAL  84   2.954   0.782  -1.758
  414   2HG1  VAL  84          2HG1      VAL  84   2.631   1.012  -3.474
  415   3HG1  VAL  84          3HG1      VAL  84   2.509  -0.614  -2.761
  416   1HG2  VAL  84          1HG2      VAL  84   4.086  -1.778  -4.057
  417   2HG2  VAL  84          2HG2      VAL  84   4.168  -0.377  -5.151
  418   3HG2  VAL  84          3HG2      VAL  84   5.646  -1.089  -4.520
  419    H    ALA  85           H        ALA  85   6.020   1.469  -0.960
  420    HA   ALA  85           HA       ALA  85   4.255   3.171   0.338
  421   1HB   ALA  85          1HB       ALA  85   7.240   2.915   0.930
  422   2HB   ALA  85          2HB       ALA  85   5.968   3.430   2.051
  423   3HB   ALA  85          3HB       ALA  85   5.999   1.762   1.445
  424    H    ALA  86           H        ALA  86   7.356   4.076  -1.173
  425    HA   ALA  86           HA       ALA  86   7.270   6.862  -0.587
  426   1HB   ALA  86          1HB       ALA  86   9.312   5.672  -1.222
  427   2HB   ALA  86          2HB       ALA  86   8.662   5.392  -2.853
  428   3HB   ALA  86          3HB       ALA  86   9.009   7.048  -2.300
  429    H    TRP  87           H        TRP  87   6.194   5.021  -3.466
  430    HA   TRP  87           HA       TRP  87   5.260   7.254  -4.961
  431   1HB   TRP  87          2HB       TRP  87   5.657   5.044  -5.871
  432   2HB   TRP  87          3HB       TRP  87   4.404   4.349  -4.849
  433    HD1  TRP  87           HD1      TRP  87   4.618   6.966  -7.694
  434    HE1  TRP  87           HE1      TRP  87   2.584   6.684  -9.214
  435    HE3  TRP  87           HE3      TRP  87   2.235   3.219  -5.146
  436    HZ2  TRP  87           HZ2      TRP  87   0.131   5.122  -9.238
  437    HZ3  TRP  87           HZ3      TRP  87  -0.056   2.566  -5.790
  438    HH2  TRP  87           HH2      TRP  87  -1.138   3.511  -7.776
  439    H    LEU  88           H        LEU  88   3.590   5.123  -2.604
  440    HA   LEU  88           HA       LEU  88   1.090   6.495  -2.616
  441   1HB   LEU  88          2HB       LEU  88   2.445   4.572  -0.740
  442   2HB   LEU  88          3HB       LEU  88   1.030   5.445  -0.198
  443    HG   LEU  88           HG       LEU  88   1.003   3.031  -1.513
  444   1HD1  LEU  88          1HD1      LEU  88  -1.479   3.457  -1.736
  445   2HD1  LEU  88          2HD1      LEU  88  -0.854   3.862  -0.115
  446   3HD1  LEU  88          3HD1      LEU  88  -1.195   5.149  -1.302
  447   1HD2  LEU  88          1HD2      LEU  88   1.474   4.294  -3.593
  448   2HD2  LEU  88          2HD2      LEU  88   0.098   3.164  -3.596
  449   3HD2  LEU  88          3HD2      LEU  88  -0.186   4.919  -3.534
  450    H    ALA  89           H        ALA  89   4.066   7.147  -0.779
  451    HA   ALA  89           HA       ALA  89   3.065   9.108   0.947
  452   1HB   ALA  89          1HB       ALA  89   5.245   9.867   1.223
  453   2HB   ALA  89          2HB       ALA  89   5.388   8.154   0.795
  454   3HB   ALA  89          3HB       ALA  89   5.738   9.416  -0.414
  455    H    GLU  90           H        GLU  90   3.827   9.301  -2.524
  456    HA   GLU  90           HA       GLU  90   2.930  12.129  -2.615
  457   1HB   GLU  90          2HB       GLU  90   4.991  10.706  -3.988
  458   2HB   GLU  90          3HB       GLU  90   3.746  11.047  -5.186
  459   1HG   GLU  90          2HG       GLU  90   3.755  13.469  -4.305
  460   2HG   GLU  90          3HG       GLU  90   5.215  13.022  -3.396
  461    H    LYS  91           H        LYS  91   1.097   9.657  -2.182
  462    HA   LYS  91           HA       LYS  91  -0.819  10.449  -4.342
  463   1HB   LYS  91          2HB       LYS  91  -0.622   7.814  -2.868
  464   2HB   LYS  91          3HB       LYS  91  -1.987   8.329  -3.815
  465   1HG   LYS  91          2HG       LYS  91   0.166   8.860  -5.563
  466   2HG   LYS  91          3HG       LYS  91   0.701   7.437  -4.707
  467   1HD   LYS  91          2HD       LYS  91  -0.323   6.733  -6.680
  468   2HD   LYS  91          3HD       LYS  91  -1.413   6.246  -5.393
  469   1HE   LYS  91          2HE       LYS  91  -1.736   8.785  -7.114
  470   2HE   LYS  91          3HE       LYS  91  -2.416   7.217  -7.558
  471   1HZ   LYS  91          1HZ       LYS  91  -3.670   7.287  -5.457
  472   2HZ   LYS  91          2HZ       LYS  91  -3.183   8.839  -5.228
  473   3HZ   LYS  91          3HZ       LYS  91  -4.092   8.452  -6.529
  474    H    LYS  92           H        LYS  92  -2.405  11.661  -3.733
  475    HA   LYS  92           HA       LYS  92  -3.658  11.722  -1.177
  476   1HB   LYS  92          2HB       LYS  92  -2.062  14.080  -2.279
  477   2HB   LYS  92          3HB       LYS  92  -3.230  14.180  -0.951
  478   1HG   LYS  92          2HG       LYS  92  -1.843  12.849   0.502
  479   2HG   LYS  92          3HG       LYS  92  -0.751  12.415  -0.814
  480   1HD   LYS  92          2HD       LYS  92  -0.077  14.719  -1.152
  481   2HD   LYS  92          3HD       LYS  92  -1.043  15.220   0.259
  482   1HE   LYS  92          2HE       LYS  92   0.303  13.706   1.712
  483   2HE   LYS  92          3HE       LYS  92   1.162  13.080   0.303
  484   1HZ   LYS  92          1HZ       LYS  92   2.489  14.646   1.413
  485   2HZ   LYS  92          2HZ       LYS  92   2.076  15.264  -0.051
  486   3HZ   LYS  92          3HZ       LYS  92   1.342  15.826   1.317
  487    HHA  HEC  93           HHA      HEC  93  -5.116  -0.473   6.359
  488    HHB  HEC  93           HHB      HEC  93  -0.585   0.725   1.976
  489    HHC  HEC  93           HHC      HEC  93  -1.929  -4.955  -0.829
  490    HHD  HEC  93           HHD      HEC  93  -6.958  -5.665   3.070
  491   1HMA  HEC  93          1HMA      HEC  93  -0.108   1.911   4.477
  492   2HMA  HEC  93          2HMA      HEC  93  -1.074   2.648   3.173
  493   3HMA  HEC  93          3HMA      HEC  93  -1.420   3.040   4.845
  494   1HAA  HEC  93          1HAA      HEC  93  -4.382   2.032   6.168
  495   2HAA  HEC  93          2HAA      HEC  93  -2.735   2.523   6.425
  496   1HBA  HEC  93          1HBA      HEC  93  -2.456   1.249   8.281
  497   2HBA  HEC  93          2HBA      HEC  93  -3.372  -0.104   7.656
  498   1HMB  HEC  93          1HMB      HEC  93   1.309  -0.489  -0.802
  499   2HMB  HEC  93          2HMB      HEC  93  -0.161   0.242  -1.472
  500   3HMB  HEC  93          3HMB      HEC  93   0.439   0.734   0.104
  501    HAB  HEC  93           HAB      HEC  93  -0.335  -4.080  -1.895
  502   1HBB  HEC  93          1HBB      HEC  93   1.645  -4.008  -0.471
  503   2HBB  HEC  93          2HBB      HEC  93   2.017  -3.871  -2.203
  504   3HBB  HEC  93          3HBB      HEC  93   2.105  -2.449  -1.161
  505   1HMC  HEC  93          1HMC      HEC  93  -2.709  -7.150  -0.978
  506   2HMC  HEC  93          2HMC      HEC  93  -4.323  -7.852  -1.042
  507   3HMC  HEC  93          3HMC      HEC  93  -4.010  -6.324  -1.881
  508    HAC  HEC  93           HAC      HEC  93  -7.176  -7.062   1.508
  509   1HBC  HEC  93          1HBC      HEC  93  -5.652  -8.722   2.322
  510   2HBC  HEC  93          2HBC      HEC  93  -6.687  -9.413   1.064
  511   3HBC  HEC  93          3HBC      HEC  93  -4.995  -9.015   0.703
  512   1HMD  HEC  93          1HMD      HEC  93  -7.771  -5.560   5.865
  513   2HMD  HEC  93          2HMD      HEC  93  -8.893  -4.193   5.936
  514   3HMD  HEC  93          3HMD      HEC  93  -8.662  -5.044   4.414
  515   1HAD  HEC  93          1HAD      HEC  93  -8.268  -2.237   6.969
  516   2HAD  HEC  93          2HAD      HEC  93  -6.848  -1.304   7.376
  517   1HBD  HEC  93          1HBD      HEC  93  -6.275  -2.776   8.957
  518   2HBD  HEC  93          2HBD      HEC  93  -6.225  -4.087   7.771
  Start of MODEL    7
    1   1H    VAL  22          H1        VAL  22  11.797  -0.648 -11.441
    2   2H    VAL  22          H2        VAL  22  12.158  -0.126  -9.934
    3   3H    VAL  22          H3        VAL  22  12.682  -1.634 -10.428
    4    HA   VAL  22           HA       VAL  22  10.344  -2.281 -10.631
    5    HB   VAL  22           HB       VAL  22  11.605  -1.460  -8.019
    6   1HG1  VAL  22          1HG1      VAL  22   9.283  -0.804  -7.550
    7   2HG1  VAL  22          2HG1      VAL  22   8.704  -2.379  -8.153
    8   3HG1  VAL  22          3HG1      VAL  22   9.739  -2.274  -6.714
    9   1HG2  VAL  22          1HG2      VAL  22  11.314  -3.860  -7.531
   10   2HG2  VAL  22          2HG2      VAL  22  10.373  -4.073  -9.013
   11   3HG2  VAL  22          3HG2      VAL  22  12.100  -3.660  -9.111
   12    H    ASP  23           H        ASP  23   8.245  -1.608 -10.735
   13    HA   ASP  23           HA       ASP  23   7.880   1.329 -10.929
   14   1HB   ASP  23          2HB       ASP  23   6.677  -1.101 -12.286
   15   2HB   ASP  23          3HB       ASP  23   5.976   0.523 -12.412
   16    H    ALA  24           H        ALA  24   7.228   1.945  -8.938
   17    HA   ALA  24           HA       ALA  24   5.821   0.728  -6.949
   18   1HB   ALA  24          1HB       ALA  24   5.037   2.983  -6.329
   19   2HB   ALA  24          2HB       ALA  24   6.726   3.044  -6.867
   20   3HB   ALA  24          3HB       ALA  24   5.432   3.598  -7.939
   21    H    GLU  25           H        GLU  25   4.327   2.589  -9.620
   22    HA   GLU  25           HA       GLU  25   1.668   2.083  -8.963
   23   1HB   GLU  25          2HB       GLU  25   2.506   2.418 -11.850
   24   2HB   GLU  25          3HB       GLU  25   1.105   3.036 -10.985
   25   1HG   GLU  25          2HG       GLU  25   2.969   4.370  -9.603
   26   2HG   GLU  25          3HG       GLU  25   3.940   4.084 -11.049
   27    H    ALA  26           H        ALA  26   3.890   0.198 -11.080
   28    HA   ALA  26           HA       ALA  26   1.939  -1.635 -12.061
   29   1HB   ALA  26          1HB       ALA  26   4.886  -2.193 -11.657
   30   2HB   ALA  26          2HB       ALA  26   3.775  -2.996 -12.768
   31   3HB   ALA  26          3HB       ALA  26   4.219  -1.299 -13.052
   32    H    VAL  27           H        VAL  27   4.190  -1.740  -9.261
   33    HA   VAL  27           HA       VAL  27   3.498  -4.360  -8.371
   34    HB   VAL  27           HB       VAL  27   4.421  -1.930  -6.784
   35   1HG1  VAL  27          1HG1      VAL  27   3.286  -3.542  -5.264
   36   2HG1  VAL  27          2HG1      VAL  27   4.208  -4.866  -5.999
   37   3HG1  VAL  27          3HG1      VAL  27   5.031  -3.622  -5.036
   38   1HG2  VAL  27          1HG2      VAL  27   6.599  -3.075  -6.841
   39   2HG2  VAL  27          2HG2      VAL  27   5.907  -4.380  -7.829
   40   3HG2  VAL  27          3HG2      VAL  27   6.047  -2.742  -8.485
   41    H    VAL  28           H        VAL  28   2.166  -1.144  -7.378
   42    HA   VAL  28           HA       VAL  28   0.146  -2.216  -5.715
   43    HB   VAL  28           HB       VAL  28   0.432   0.367  -7.272
   44   1HG1  VAL  28          1HG1      VAL  28  -1.530   1.141  -5.683
   45   2HG1  VAL  28          2HG1      VAL  28  -1.865   0.360  -7.234
   46   3HG1  VAL  28          3HG1      VAL  28  -1.975  -0.562  -5.734
   47   1HG2  VAL  28          1HG2      VAL  28   1.611   0.967  -5.474
   48   2HG2  VAL  28          2HG2      VAL  28   0.276   0.555  -4.371
   49   3HG2  VAL  28          3HG2      VAL  28   1.476  -0.657  -4.836
   50    H    GLN  29           H        GLN  29  -0.021  -1.423  -9.145
   51    HA   GLN  29           HA       GLN  29  -2.621  -2.253  -9.755
   52   1HB   GLN  29          2HB       GLN  29  -0.101  -2.208 -11.378
   53   2HB   GLN  29          3HB       GLN  29  -1.663  -2.662 -12.039
   54   1HG   GLN  29          2HG       GLN  29  -1.345  -0.013 -10.545
   55   2HG   GLN  29          3HG       GLN  29  -0.805  -0.171 -12.215
   56   1HE2  GLN  29          1HE2      GLN  29  -3.603   0.213 -10.141
   57   2HE2  GLN  29          2HE2      GLN  29  -4.764   0.252 -11.444
   58    H    GLN  30           H        GLN  30   0.072  -4.316  -8.777
   59    HA   GLN  30           HA       GLN  30  -1.797  -6.550  -9.161
   60   1HB   GLN  30          2HB       GLN  30   1.059  -6.472 -10.206
   61   2HB   GLN  30          3HB       GLN  30   0.326  -8.009  -9.714
   62   1HG   GLN  30          2HG       GLN  30  -1.672  -7.417 -11.137
   63   2HG   GLN  30          3HG       GLN  30  -0.639  -6.187 -11.891
   64   1HE2  GLN  30          1HE2      GLN  30   1.738  -7.290 -12.361
   65   2HE2  GLN  30          2HE2      GLN  30   1.629  -8.848 -13.168
   66    H    LYS  31           H        LYS  31  -1.429  -5.074  -6.832
   67    HA   LYS  31           HA       LYS  31  -1.157  -7.440  -5.184
   68   1HB   LYS  31          2HB       LYS  31   1.047  -5.432  -5.202
   69   2HB   LYS  31          3HB       LYS  31   0.460  -5.870  -3.607
   70   1HG   LYS  31          2HG       LYS  31   1.603  -7.791  -3.603
   71   2HG   LYS  31          3HG       LYS  31   0.841  -8.310  -5.103
   72   1HD   LYS  31          2HD       LYS  31   2.493  -6.884  -6.359
   73   2HD   LYS  31          3HD       LYS  31   3.325  -6.563  -4.830
   74   1HE   LYS  31          2HE       LYS  31   2.779  -9.455  -5.539
   75   2HE   LYS  31          3HE       LYS  31   3.959  -8.598  -6.533
   76   1HZ   LYS  31          1HZ       LYS  31   5.264  -8.131  -4.672
   77   2HZ   LYS  31          2HZ       LYS  31   4.168  -8.774  -3.579
   78   3HZ   LYS  31          3HZ       LYS  31   4.980  -9.705  -4.687
   79    H    CYS  32           H        CYS  32  -1.197  -3.833  -4.948
   80    HA   CYS  32           HA       CYS  32  -2.742  -4.097  -2.500
   81   1HB   CYS  32          2HB       CYS  32  -2.411  -1.491  -3.920
   82   2HB   CYS  32          3HB       CYS  32  -2.508  -1.813  -2.207
   83    H    ILE  33           H        ILE  33  -3.394  -2.996  -5.788
   84    HA   ILE  33           HA       ILE  33  -6.015  -2.179  -5.489
   85    HB   ILE  33           HB       ILE  33  -6.319  -2.792  -7.883
   86   1HG1  ILE  33          2HG1      ILE  33  -3.900  -3.609  -8.816
   87   2HG1  ILE  33          3HG1      ILE  33  -4.005  -4.604  -7.384
   88   1HG2  ILE  33          1HG2      ILE  33  -5.218  -0.710  -7.309
   89   2HG2  ILE  33          2HG2      ILE  33  -3.635  -1.486  -7.291
   90   3HG2  ILE  33          3HG2      ILE  33  -4.556  -1.364  -8.802
   91   1HD1  ILE  33          1HD1      ILE  33  -6.319  -5.324  -8.277
   92   2HD1  ILE  33          2HD1      ILE  33  -5.931  -4.376  -9.734
   93   3HD1  ILE  33          3HD1      ILE  33  -4.928  -5.771  -9.291
   94    H    SER  34           H        SER  34  -4.826  -5.530  -5.675
   95    HA   SER  34           HA       SER  34  -6.983  -7.027  -6.249
   96   1HB   SER  34          2HB       SER  34  -5.251  -7.648  -3.846
   97   2HB   SER  34          3HB       SER  34  -5.878  -8.755  -5.080
   98    HG   SER  34           HG       SER  34  -3.579  -7.369  -5.017
   99    H    CYS  35           H        CYS  35  -6.452  -5.209  -3.239
  100    HA   CYS  35           HA       CYS  35  -9.215  -5.960  -2.378
  101   1HB   CYS  35          2HB       CYS  35  -7.028  -5.069  -0.525
  102   2HB   CYS  35          3HB       CYS  35  -8.590  -5.808  -0.115
  103    H    HIS  36           HN       HIS  36  -6.703  -3.405  -2.445
  104    HA   HIS  36           HA       HIS  36  -8.414  -1.335  -1.402
  105   1HB   HIS  36          2HB       HIS  36  -5.698  -1.417  -2.768
  106   2HB   HIS  36          3HB       HIS  36  -6.466   0.077  -2.311
  107    HD1  HIS  36           HD1      HIS  36  -7.095   0.280   0.419
  108    HD2  HIS  36           HD2      HIS  36  -4.404  -2.710  -0.775
  109    HE1  HIS  36           1HE      HIS  36  -5.890  -0.457   2.521
  110    H    GLY  37           H        GLY  37  -8.381  -2.831  -4.466
  111   1HA   GLY  37          1HA       GLY  37  -9.898  -2.476  -6.146
  112   2HA   GLY  37          2HA       GLY  37 -10.256  -0.838  -5.559
  113    H    GLY  38           H        GLY  38  -9.458  -1.777  -8.288
  114   1HA   GLY  38          1HA       GLY  38  -6.943  -1.162  -9.234
  115   2HA   GLY  38          2HA       GLY  38  -8.442  -0.712 -10.031
  116    H    ASP  39           H        ASP  39  -9.344   1.070  -7.941
  117    HA   ASP  39           HA       ASP  39  -7.903   3.461  -8.834
  118   1HB   ASP  39          2HB       ASP  39 -10.623   2.934  -7.582
  119   2HB   ASP  39          3HB       ASP  39  -9.977   4.553  -7.877
  120    H    LEU  40           H        LEU  40  -7.851   1.465  -5.902
  121    HA   LEU  40           HA       LEU  40  -6.839   1.772  -4.020
  122   1HB   LEU  40          2HB       LEU  40  -5.872   4.556  -4.580
  123   2HB   LEU  40          3HB       LEU  40  -5.113   3.243  -3.692
  124    HG   LEU  40           HG       LEU  40  -5.208   3.702  -6.692
  125   1HD1  LEU  40          1HD1      LEU  40  -2.837   3.711  -6.488
  126   2HD1  LEU  40          2HD1      LEU  40  -3.491   4.793  -5.252
  127   3HD1  LEU  40          3HD1      LEU  40  -2.900   3.180  -4.792
  128   1HD2  LEU  40          1HD2      LEU  40  -4.445   1.111  -5.281
  129   2HD2  LEU  40          2HD2      LEU  40  -5.592   1.349  -6.619
  130   3HD2  LEU  40          3HD2      LEU  40  -3.882   1.570  -6.908
  131    H    THR  41           H        THR  41  -9.531   2.997  -4.782
  132    HA   THR  41           HA       THR  41 -10.063   5.174  -2.899
  133    HB   THR  41           HB       THR  41 -12.386   4.787  -4.015
  134    HG1  THR  41           1HG      THR  41 -12.119   2.727  -4.790
  135   1HG2  THR  41          1HG2      THR  41  -9.971   5.511  -5.732
  136   2HG2  THR  41          2HG2      THR  41 -11.664   5.813  -6.168
  137   3HG2  THR  41          3HG2      THR  41 -10.951   6.612  -4.752
  138    H    GLY  42           H        GLY  42  -9.814   1.796  -2.808
  139   1HA   GLY  42          1HA       GLY  42 -10.207   0.504  -0.956
  140   2HA   GLY  42          2HA       GLY  42 -11.489   1.582  -0.367
  141    H    ALA  43           H        ALA  43 -11.516  -1.227  -0.920
  142    HA   ALA  43           HA       ALA  43 -14.024  -1.436  -2.414
  143   1HB   ALA  43          1HB       ALA  43 -11.536  -2.827  -3.505
  144   2HB   ALA  43          2HB       ALA  43 -13.200  -3.287  -3.918
  145   3HB   ALA  43          3HB       ALA  43 -12.592  -1.672  -4.324
  146    H    SER  44           H        SER  44 -11.590  -3.944  -1.709
  147    HA   SER  44           HA       SER  44 -13.385  -5.183   0.332
  148   1HB   SER  44          2HB       SER  44 -11.009  -6.170  -1.251
  149   2HB   SER  44          3HB       SER  44 -11.565  -7.006   0.201
  150    HG   SER  44           HG       SER  44 -12.594  -7.867  -1.601
  151    H    ALA  45           H        ALA  45 -11.288  -2.709   0.343
  152    HA   ALA  45           HA       ALA  45 -10.250  -3.149   3.020
  153   1HB   ALA  45          1HB       ALA  45  -7.897  -2.884   2.258
  154   2HB   ALA  45          2HB       ALA  45  -8.626  -4.241   1.426
  155   3HB   ALA  45          3HB       ALA  45  -8.433  -2.685   0.593
  156    HA   PRO  46           HA       PRO  46 -10.999   1.177   3.038
  157   1HB   PRO  46          2HB       PRO  46  -8.993   2.303   4.587
  158   2HB   PRO  46          3HB       PRO  46 -10.308   1.285   5.233
  159   1HG   PRO  46          2HG       PRO  46  -7.468   0.521   4.641
  160   2HG   PRO  46          3HG       PRO  46  -8.513   0.007   5.994
  161   1HD   PRO  46          2HD       PRO  46  -7.993  -1.445   3.728
  162   2HD   PRO  46          3HD       PRO  46  -9.456  -1.699   4.725
  163    H    ALA  47           H        ALA  47 -10.253   3.372   2.321
  164    HA   ALA  47           HA       ALA  47  -8.844   3.084  -0.184
  165   1HB   ALA  47          1HB       ALA  47 -10.809   4.586   0.294
  166   2HB   ALA  47          2HB       ALA  47  -9.726   5.638   1.214
  167   3HB   ALA  47          3HB       ALA  47  -9.439   5.381  -0.523
  168    H    ILE  48           H        ILE  48  -6.695   3.313  -0.535
  169    HA   ILE  48           HA       ILE  48  -5.027   4.650   1.572
  170    HB   ILE  48           HB       ILE  48  -3.121   3.397   0.720
  171   1HG1  ILE  48          2HG1      ILE  48  -5.114   1.794  -0.935
  172   2HG1  ILE  48          3HG1      ILE  48  -3.925   2.948  -1.559
  173   1HG2  ILE  48          1HG2      ILE  48  -4.238   2.697   2.706
  174   2HG2  ILE  48          2HG2      ILE  48  -5.498   1.855   1.796
  175   3HG2  ILE  48          3HG2      ILE  48  -3.830   1.250   1.785
  176   1HD1  ILE  48          1HD1      ILE  48  -3.357   0.303  -0.194
  177   2HD1  ILE  48          2HD1      ILE  48  -2.924   0.822  -1.826
  178   3HD1  ILE  48          3HD1      ILE  48  -2.116   1.544  -0.421
  179    H    ASP  49           H        ASP  49  -6.467   5.346  -1.346
  180    HA   ASP  49           HA       ASP  49  -4.708   6.486  -2.944
  181   1HB   ASP  49          2HB       ASP  49  -7.054   6.794  -3.355
  182   2HB   ASP  49          3HB       ASP  49  -7.227   7.815  -1.914
  183    H    LYS  50           H        LYS  50  -5.740   8.034   0.092
  184    HA   LYS  50           HA       LYS  50  -3.739  10.195  -0.155
  185   1HB   LYS  50          2HB       LYS  50  -6.511  10.087   0.620
  186   2HB   LYS  50          3HB       LYS  50  -5.629  10.411   2.090
  187   1HG   LYS  50          2HG       LYS  50  -6.010  12.571   1.273
  188   2HG   LYS  50          3HG       LYS  50  -4.368  12.248   0.739
  189   1HD   LYS  50          2HD       LYS  50  -5.377  13.084  -1.211
  190   2HD   LYS  50          3HD       LYS  50  -5.477  11.334  -1.450
  191   1HE   LYS  50          2HE       LYS  50  -7.860  11.598  -0.274
  192   2HE   LYS  50          3HE       LYS  50  -7.655  13.312  -0.649
  193   1HZ   LYS  50          1HZ       LYS  50  -8.842  12.079  -2.370
  194   2HZ   LYS  50          2HZ       LYS  50  -7.424  12.671  -2.972
  195   3HZ   LYS  50          3HZ       LYS  50  -7.548  11.088  -2.602
  196    H    ALA  51           H        ALA  51  -3.220   7.266   0.734
  197    HA   ALA  51           HA       ALA  51  -2.916   7.187   3.525
  198   1HB   ALA  51          1HB       ALA  51  -2.700   5.196   2.189
  199   2HB   ALA  51          2HB       ALA  51  -1.244   5.832   1.383
  200   3HB   ALA  51          3HB       ALA  51  -1.221   5.441   3.122
  201    H    GLY  52           H        GLY  52  -0.701   8.588   1.007
  202   1HA   GLY  52          1HA       GLY  52   1.456   9.198   2.632
  203   2HA   GLY  52          2HA       GLY  52   0.913  10.136   1.223
  204    H    ALA  53           H        ALA  53  -1.734  10.717   2.730
  205    HA   ALA  53           HA       ALA  53  -0.753  13.116   4.145
  206   1HB   ALA  53          1HB       ALA  53  -3.123  13.636   4.421
  207   2HB   ALA  53          2HB       ALA  53  -2.769  13.292   2.721
  208   3HB   ALA  53          3HB       ALA  53  -3.587  12.076   3.723
  209    H    ASN  54           H        ASN  54  -2.064   9.895   4.835
  210    HA   ASN  54           HA       ASN  54  -2.686  10.501   7.648
  211   1HB   ASN  54          2HB       ASN  54  -2.783   7.998   5.925
  212   2HB   ASN  54          3HB       ASN  54  -2.839   7.909   7.684
  213   1HD2  ASN  54          1HD2      ASN  54  -4.477   9.758   5.021
  214   2HD2  ASN  54          2HD2      ASN  54  -6.042   9.694   5.823
  215    H    TYR  55           H        TYR  55  -0.163   8.734   5.803
  216    HA   TYR  55           HA       TYR  55   1.568   8.642   8.222
  217   1HB   TYR  55          2HB       TYR  55   1.086   6.287   6.382
  218   2HB   TYR  55          3HB       TYR  55   1.886   6.304   7.948
  219    HD1  TYR  55           HD1      TYR  55  -0.955   5.184   6.349
  220    HD2  TYR  55           HD2      TYR  55   0.251   7.239   9.946
  221    HE1  TYR  55           HE1      TYR  55  -3.072   4.518   7.454
  222    HE2  TYR  55           HE2      TYR  55  -1.877   6.595  11.026
  223    HH   TYR  55           HH       TYR  55  -3.911   5.523  10.765
  224    H    SER  56           H        SER  56   3.825   8.451   7.663
  225    HA   SER  56           HA       SER  56   4.445   9.561   5.001
  226   1HB   SER  56          2HB       SER  56   5.547   9.970   7.518
  227   2HB   SER  56          3HB       SER  56   6.729   8.891   6.766
  228    HG   SER  56           HG       SER  56   6.862  10.404   5.036
  229    H    GLU  57           H        GLU  57   6.443   8.569   3.883
  230    HA   GLU  57           HA       GLU  57   5.859   6.033   2.882
  231   1HB   GLU  57          2HB       GLU  57   8.206   5.996   2.080
  232   2HB   GLU  57          3HB       GLU  57   7.214   7.341   1.550
  233   1HG   GLU  57          2HG       GLU  57   9.043   7.690   3.923
  234   2HG   GLU  57          3HG       GLU  57   9.624   7.749   2.262
  235    H    GLU  58           H        GLU  58   8.063   6.889   5.527
  236    HA   GLU  58           HA       GLU  58   9.180   4.390   6.030
  237   1HB   GLU  58          2HB       GLU  58   9.422   6.862   7.152
  238   2HB   GLU  58          3HB       GLU  58   8.448   6.086   8.408
  239   1HG   GLU  58          2HG       GLU  58  10.187   4.253   8.483
  240   2HG   GLU  58          3HG       GLU  58  11.132   5.164   7.287
  241    H    GLU  59           H        GLU  59   6.032   5.697   7.130
  242    HA   GLU  59           HA       GLU  59   5.445   3.462   8.921
  243   1HB   GLU  59          2HB       GLU  59   3.977   5.899   7.892
  244   2HB   GLU  59          3HB       GLU  59   3.193   4.697   8.941
  245   1HG   GLU  59          2HG       GLU  59   5.801   5.945   9.846
  246   2HG   GLU  59          3HG       GLU  59   4.295   6.872   9.960
  247    H    ILE  60           H        ILE  60   4.401   4.687   5.711
  248    HA   ILE  60           HA       ILE  60   2.402   2.718   5.279
  249    HB   ILE  60           HB       ILE  60   4.010   4.324   3.274
  250   1HG1  ILE  60          2HG1      ILE  60   1.241   4.585   4.542
  251   2HG1  ILE  60          3HG1      ILE  60   2.637   5.583   4.855
  252   1HG2  ILE  60          1HG2      ILE  60   3.180   2.324   2.162
  253   2HG2  ILE  60          2HG2      ILE  60   1.582   2.507   2.902
  254   3HG2  ILE  60          3HG2      ILE  60   2.155   3.659   1.679
  255   1HD1  ILE  60          1HD1      ILE  60   1.027   5.449   2.294
  256   2HD1  ILE  60          2HD1      ILE  60   1.263   6.825   3.376
  257   3HD1  ILE  60          3HD1      ILE  60   2.620   6.253   2.387
  258    H    LEU  61           H        LEU  61   5.875   2.839   4.506
  259    HA   LEU  61           HA       LEU  61   6.113   0.377   3.195
  260   1HB   LEU  61          2HB       LEU  61   7.895   2.067   3.236
  261   2HB   LEU  61          3HB       LEU  61   8.108   1.851   4.973
  262    HG   LEU  61           HG       LEU  61   8.943  -0.412   4.653
  263   1HD1  LEU  61          1HD1      LEU  61   7.639  -1.222   2.798
  264   2HD1  LEU  61          2HD1      LEU  61   8.239   0.060   1.731
  265   3HD1  LEU  61          3HD1      LEU  61   9.326  -1.242   2.273
  266   1HD2  LEU  61          1HD2      LEU  61  10.993   0.113   3.381
  267   2HD2  LEU  61          2HD2      LEU  61  10.204   1.546   2.684
  268   3HD2  LEU  61          3HD2      LEU  61  10.530   1.468   4.429
  269    H    ASP  62           H        ASP  62   6.558   1.158   6.712
  270    HA   ASP  62           HA       ASP  62   6.967  -1.458   7.562
  271   1HB   ASP  62          2HB       ASP  62   7.136   0.666   8.936
  272   2HB   ASP  62          3HB       ASP  62   5.379   0.579   9.163
  273    H    ILE  63           H        ILE  63   3.763   0.203   7.208
  274    HA   ILE  63           HA       ILE  63   2.192  -2.073   7.920
  275    HB   ILE  63           HB       ILE  63   1.652   0.280   6.055
  276   1HG1  ILE  63          2HG1      ILE  63   0.446  -0.222   8.767
  277   2HG1  ILE  63          3HG1      ILE  63   2.004   0.595   8.562
  278   1HG2  ILE  63          1HG2      ILE  63   0.129  -1.385   5.260
  279   2HG2  ILE  63          2HG2      ILE  63  -0.173  -2.003   6.899
  280   3HG2  ILE  63          3HG2      ILE  63  -0.819  -0.439   6.408
  281   1HD1  ILE  63          1HD1      ILE  63   0.152   2.209   8.758
  282   2HD1  ILE  63          2HD1      ILE  63   1.041   2.358   7.233
  283   3HD1  ILE  63          3HD1      ILE  63  -0.553   1.582   7.262
  284    H    ILE  64           H        ILE  64   3.267  -1.134   4.595
  285    HA   ILE  64           HA       ILE  64   2.135  -3.376   3.295
  286    HB   ILE  64           HB       ILE  64   4.715  -1.886   2.699
  287   1HG1  ILE  64          2HG1      ILE  64   2.073  -1.692   1.220
  288   2HG1  ILE  64          3HG1      ILE  64   2.349  -0.705   2.648
  289   1HG2  ILE  64          1HG2      ILE  64   4.849  -4.031   1.566
  290   2HG2  ILE  64          2HG2      ILE  64   3.154  -3.920   1.055
  291   3HG2  ILE  64          3HG2      ILE  64   4.372  -2.831   0.366
  292   1HD1  ILE  64          1HD1      ILE  64   4.387   0.250   1.650
  293   2HD1  ILE  64          2HD1      ILE  64   4.098  -0.649   0.151
  294   3HD1  ILE  64          3HD1      ILE  64   2.947   0.584   0.687
  295    H    LEU  65           H        LEU  65   5.276  -3.087   4.963
  296    HA   LEU  65           HA       LEU  65   6.117  -5.778   4.468
  297   1HB   LEU  65          2HB       LEU  65   6.946  -3.724   6.546
  298   2HB   LEU  65          3HB       LEU  65   7.729  -5.281   6.340
  299    HG   LEU  65           HG       LEU  65   7.567  -3.101   4.206
  300   1HD1  LEU  65          1HD1      LEU  65   9.012  -2.501   6.124
  301   2HD1  LEU  65          2HD1      LEU  65   9.899  -4.028   5.931
  302   3HD1  LEU  65          3HD1      LEU  65   9.964  -2.791   4.657
  303   1HD2  LEU  65          1HD2      LEU  65   8.979  -5.791   4.196
  304   2HD2  LEU  65          2HD2      LEU  65   7.721  -5.215   3.075
  305   3HD2  LEU  65          3HD2      LEU  65   9.321  -4.472   3.054
  306    H    ASN  66           H        ASN  66   3.903  -4.508   7.010
  307    HA   ASN  66           HA       ASN  66   4.297  -7.099   8.522
  308   1HB   ASN  66          2HB       ASN  66   4.162  -4.288   9.673
  309   2HB   ASN  66          3HB       ASN  66   4.222  -5.792  10.600
  310   1HD2  ASN  66          1HD2      ASN  66   6.135  -3.297   9.704
  311   2HD2  ASN  66          2HD2      ASN  66   7.688  -4.107   9.599
  312    H    GLY  67           H        GLY  67   2.448  -6.144   6.666
  313   1HA   GLY  67          1HA       GLY  67   0.378  -5.135   6.282
  314   2HA   GLY  67          2HA       GLY  67  -0.218  -6.624   6.851
  315    H    GLN  68           H        GLN  68  -1.937  -5.953   8.372
  316    HA   GLN  68           HA       GLN  68  -1.782  -4.462  10.668
  317   1HB   GLN  68          2HB       GLN  68  -1.170  -2.445   9.497
  318   2HB   GLN  68          3HB       GLN  68  -2.457  -2.632   8.304
  319   1HG   GLN  68          2HG       GLN  68  -4.079  -1.849   9.846
  320   2HG   GLN  68          3HG       GLN  68  -3.135  -2.378  11.243
  321   1HE2  GLN  68          1HE2      GLN  68  -3.960   0.461   9.380
  322   2HE2  GLN  68          2HE2      GLN  68  -2.685   1.431  10.080
  323    H    GLY  69           H        GLY  69  -3.902  -4.541  11.701
  324   1HA   GLY  69          1HA       GLY  69  -5.501  -6.137  12.082
  325   2HA   GLY  69          2HA       GLY  69  -6.381  -4.905  11.211
  326    H    GLY  70           H        GLY  70  -7.366  -5.531   9.221
  327   1HA   GLY  70          1HA       GLY  70  -7.711  -8.316   8.719
  328   2HA   GLY  70          2HA       GLY  70  -8.208  -6.982   7.670
  329    H    MET  71           H        MET  71  -5.378  -6.026   7.466
  330    HA   MET  71           HA       MET  71  -4.740  -7.324   5.024
  331   1HB   MET  71          1HB       MET  71  -4.325  -4.878   5.931
  332   2HB   MET  71          2HB       MET  71  -2.832  -5.551   6.570
  333   1HG   MET  71          1HG       MET  71  -2.056  -6.162   4.422
  334   2HG   MET  71          2HG       MET  71  -3.593  -5.783   3.673
  335   1HE   MET  71          1HE       MET  71  -0.249  -3.221   3.228
  336   2HE   MET  71          2HE       MET  71  -0.144  -4.726   4.169
  337   3HE   MET  71          3HE       MET  71  -0.914  -4.749   2.577
  338    HA   PRO  72           HA       PRO  72  -2.549 -10.748   6.952
  339   1HB   PRO  72          2HB       PRO  72  -1.050 -11.602   4.716
  340   2HB   PRO  72          3HB       PRO  72  -2.747 -12.065   5.089
  341   1HG   PRO  72          2HG       PRO  72  -1.671 -10.041   3.183
  342   2HG   PRO  72          3HG       PRO  72  -3.132 -11.042   3.009
  343   1HD   PRO  72          2HD       PRO  72  -3.184  -8.372   3.719
  344   2HD   PRO  72          3HD       PRO  72  -4.424  -9.523   4.263
  345    H    GLY  73           H        GLY  73  -0.497  -9.035   4.583
  346   1HA   GLY  73          1HA       GLY  73   1.137  -7.473   5.347
  347   2HA   GLY  73          2HA       GLY  73   1.583  -8.568   6.693
  348    H    GLY  74           H        GLY  74   3.230  -7.266   4.693
  349   1HA   GLY  74          1HA       GLY  74   5.158  -7.850   3.561
  350   2HA   GLY  74          2HA       GLY  74   4.895  -9.541   4.017
  351    H    ILE  75           H        ILE  75   2.355  -7.835   2.408
  352    HA   ILE  75           HA       ILE  75   2.029  -9.590   0.261
  353    HB   ILE  75           HB       ILE  75   0.983  -6.943   1.242
  354   1HG1  ILE  75          2HG1      ILE  75  -0.541  -9.294   0.137
  355   2HG1  ILE  75          3HG1      ILE  75   0.180  -9.323   1.753
  356   1HG2  ILE  75          1HG2      ILE  75   1.299  -6.492  -1.292
  357   2HG2  ILE  75          2HG2      ILE  75   0.481  -8.028  -1.623
  358   3HG2  ILE  75          3HG2      ILE  75  -0.395  -6.689  -0.900
  359   1HD1  ILE  75          1HD1      ILE  75  -1.590  -7.019   0.898
  360   2HD1  ILE  75          2HD1      ILE  75  -2.249  -8.499   1.587
  361   3HD1  ILE  75          3HD1      ILE  75  -1.106  -7.501   2.525
  362    H    ALA  76           H        ALA  76   3.598  -6.364   0.201
  363    HA   ALA  76           HA       ALA  76   5.342  -7.340  -2.022
  364   1HB   ALA  76          1HB       ALA  76   5.750  -5.027  -2.591
  365   2HB   ALA  76          2HB       ALA  76   3.999  -5.281  -2.568
  366   3HB   ALA  76          3HB       ALA  76   4.797  -4.461  -1.211
  367    H    LYS  77           H        LYS  77   7.658  -6.641  -1.710
  368    HA   LYS  77           HA       LYS  77   8.464  -5.815   0.951
  369   1HB   LYS  77          2HB       LYS  77   9.984  -7.654   1.345
  370   2HB   LYS  77          3HB       LYS  77   8.315  -8.228   1.297
  371   1HG   LYS  77          2HG       LYS  77   8.642  -9.115  -0.986
  372   2HG   LYS  77          3HG       LYS  77  10.252  -8.394  -1.058
  373   1HD   LYS  77          2HD       LYS  77  10.721 -10.602  -0.575
  374   2HD   LYS  77          3HD       LYS  77  10.862  -9.801   0.996
  375   1HE   LYS  77          2HE       LYS  77   8.484 -10.571   1.514
  376   2HE   LYS  77          3HE       LYS  77   8.472 -11.419  -0.040
  377   1HZ   LYS  77          1HZ       LYS  77   9.020 -12.905   1.713
  378   2HZ   LYS  77          2HZ       LYS  77  10.349 -12.728   0.762
  379   3HZ   LYS  77          3HZ       LYS  77  10.272 -11.973   2.225
  380    H    GLY  78           H        GLY  78  10.972  -5.556   0.919
  381   1HA   GLY  78          1HA       GLY  78  12.813  -4.556  -0.025
  382   2HA   GLY  78          2HA       GLY  78  12.490  -5.607  -1.417
  383    H    ALA  79           H        ALA  79  13.162  -4.002  -2.907
  384    HA   ALA  79           HA       ALA  79  12.391  -1.393  -3.234
  385   1HB   ALA  79          1HB       ALA  79  12.643  -3.504  -5.410
  386   2HB   ALA  79          2HB       ALA  79  12.672  -1.745  -5.652
  387   3HB   ALA  79          3HB       ALA  79  13.960  -2.528  -4.718
  388    H    GLU  80           H        GLU  80  10.531  -4.291  -4.013
  389    HA   GLU  80           HA       GLU  80   8.337  -3.186  -5.382
  390   1HB   GLU  80          2HB       GLU  80   9.193  -5.701  -4.555
  391   2HB   GLU  80          3HB       GLU  80   7.714  -5.485  -3.624
  392   1HG   GLU  80          2HG       GLU  80   6.452  -5.251  -5.653
  393   2HG   GLU  80          3HG       GLU  80   7.917  -5.053  -6.629
  394    H    ALA  81           H        ALA  81   8.939  -3.509  -1.877
  395    HA   ALA  81           HA       ALA  81   6.325  -2.284  -1.235
  396   1HB   ALA  81          1HB       ALA  81   8.629  -3.050   0.590
  397   2HB   ALA  81          2HB       ALA  81   7.006  -2.495   1.073
  398   3HB   ALA  81          3HB       ALA  81   7.183  -4.021   0.220
  399    H    GLU  82           H        GLU  82   9.813  -1.382  -0.959
  400    HA   GLU  82           HA       GLU  82   9.547   1.155   0.174
  401   1HB   GLU  82          2HB       GLU  82  11.516   0.011  -1.820
  402   2HB   GLU  82          3HB       GLU  82  11.695   1.645  -1.183
  403   1HG   GLU  82          2HG       GLU  82  11.937   0.868   1.062
  404   2HG   GLU  82          3HG       GLU  82  11.497  -0.797   0.626
  405    H    ALA  83           H        ALA  83   9.620   0.402  -3.348
  406    HA   ALA  83           HA       ALA  83   9.378   3.086  -4.218
  407   1HB   ALA  83          1HB       ALA  83  10.093   1.180  -5.641
  408   2HB   ALA  83          2HB       ALA  83   8.435   0.540  -5.610
  409   3HB   ALA  83          3HB       ALA  83   8.778   2.104  -6.382
  410    H    VAL  84           H        VAL  84   6.909   0.574  -3.619
  411    HA   VAL  84           HA       VAL  84   4.605   2.070  -4.344
  412    HB   VAL  84           HB       VAL  84   5.057  -0.261  -2.448
  413   1HG1  VAL  84          1HG1      VAL  84   2.563  -0.560  -2.722
  414   2HG1  VAL  84          2HG1      VAL  84   3.053   0.763  -1.640
  415   3HG1  VAL  84          3HG1      VAL  84   2.487   1.132  -3.274
  416   1HG2  VAL  84          1HG2      VAL  84   5.437  -0.593  -4.946
  417   2HG2  VAL  84          2HG2      VAL  84   4.121  -1.553  -4.256
  418   3HG2  VAL  84          3HG2      VAL  84   3.761  -0.090  -5.190
  419    H    ALA  85           H        ALA  85   6.031   1.554  -1.102
  420    HA   ALA  85           HA       ALA  85   4.422   3.284   0.374
  421   1HB   ALA  85          1HB       ALA  85   6.095   1.776   1.362
  422   2HB   ALA  85          2HB       ALA  85   7.411   2.784   0.735
  423   3HB   ALA  85          3HB       ALA  85   6.299   3.442   1.945
  424    H    ALA  86           H        ALA  86   7.492   4.120  -1.295
  425    HA   ALA  86           HA       ALA  86   7.545   6.868  -0.569
  426   1HB   ALA  86          1HB       ALA  86   8.681   5.515  -3.045
  427   2HB   ALA  86          2HB       ALA  86   9.116   7.124  -2.428
  428   3HB   ALA  86          3HB       ALA  86   9.482   5.677  -1.467
  429    H    TRP  87           H        TRP  87   6.272   5.273  -3.506
  430    HA   TRP  87           HA       TRP  87   5.263   7.563  -4.812
  431   1HB   TRP  87          2HB       TRP  87   5.606   5.410  -5.846
  432   2HB   TRP  87          3HB       TRP  87   4.428   4.653  -4.777
  433    HD1  TRP  87           HD1      TRP  87   4.425   7.373  -7.535
  434    HE1  TRP  87           HE1      TRP  87   2.389   6.911  -9.070
  435    HE3  TRP  87           HE3      TRP  87   2.334   3.394  -5.070
  436    HZ2  TRP  87           HZ2      TRP  87   0.006   5.354  -9.009
  437    HZ3  TRP  87           HZ3      TRP  87   0.082   2.611  -5.712
  438    HH2  TRP  87           HH2      TRP  87  -1.022   3.455  -7.730
  439    H    LEU  88           H        LEU  88   3.681   5.344  -2.468
  440    HA   LEU  88           HA       LEU  88   1.151   6.705  -2.416
  441   1HB   LEU  88          2HB       LEU  88   2.558   4.816  -0.495
  442   2HB   LEU  88          3HB       LEU  88   1.035   5.579  -0.091
  443    HG   LEU  88           HG       LEU  88   1.338   3.149  -1.382
  444   1HD1  LEU  88          1HD1      LEU  88  -0.642   3.794  -0.027
  445   2HD1  LEU  88          2HD1      LEU  88  -1.108   4.983  -1.276
  446   3HD1  LEU  88          3HD1      LEU  88  -1.140   3.254  -1.652
  447   1HD2  LEU  88          1HD2      LEU  88   0.072   5.001  -3.405
  448   2HD2  LEU  88          2HD2      LEU  88   1.749   4.417  -3.429
  449   3HD2  LEU  88          3HD2      LEU  88   0.404   3.254  -3.490
  450    H    ALA  89           H        ALA  89   4.160   7.175  -0.511
  451    HA   ALA  89           HA       ALA  89   3.064   9.192   1.183
  452   1HB   ALA  89          1HB       ALA  89   5.341   9.830   1.651
  453   2HB   ALA  89          2HB       ALA  89   5.125   8.071   1.668
  454   3HB   ALA  89          3HB       ALA  89   5.934   8.864   0.287
  455    H    GLU  90           H        GLU  90   4.649   9.372  -2.041
  456    HA   GLU  90           HA       GLU  90   4.349  12.183  -2.375
  457   1HB   GLU  90          2HB       GLU  90   4.841   9.861  -4.160
  458   2HB   GLU  90          3HB       GLU  90   4.005  11.214  -4.928
  459   1HG   GLU  90          2HG       GLU  90   5.758  12.763  -4.215
  460   2HG   GLU  90          3HG       GLU  90   6.595  11.461  -3.343
  461    H    LYS  91           H        LYS  91   1.974   9.514  -2.955
  462    HA   LYS  91           HA       LYS  91  -0.006  11.414  -3.940
  463   1HB   LYS  91          2HB       LYS  91  -0.520   8.572  -3.015
  464   2HB   LYS  91          3HB       LYS  91  -1.549   9.685  -3.951
  465   1HG   LYS  91          2HG       LYS  91   0.616   9.674  -5.565
  466   2HG   LYS  91          3HG       LYS  91   0.830   8.087  -4.835
  467   1HD   LYS  91          2HD       LYS  91  -1.608   9.103  -6.386
  468   2HD   LYS  91          3HD       LYS  91  -0.421   7.899  -6.881
  469   1HE   LYS  91          2HE       LYS  91  -2.281   6.636  -6.281
  470   2HE   LYS  91          3HE       LYS  91  -1.159   6.448  -4.935
  471   1HZ   LYS  91          1HZ       LYS  91  -3.407   6.752  -4.246
  472   2HZ   LYS  91          2HZ       LYS  91  -2.585   8.002  -3.642
  473   3HZ   LYS  91          3HZ       LYS  91  -3.627   8.195  -4.883
  474    H    LYS  92           H        LYS  92  -0.632  13.007  -2.500
  475    HA   LYS  92           HA       LYS  92  -2.216  12.148  -0.231
  476   1HB   LYS  92          2HB       LYS  92  -1.136  13.769   1.268
  477   2HB   LYS  92          3HB       LYS  92  -0.032  12.451   0.827
  478   1HG   LYS  92          2HG       LYS  92   1.080  13.919  -0.824
  479   2HG   LYS  92          3HG       LYS  92  -0.078  15.198  -0.470
  480   1HD   LYS  92          2HD       LYS  92   1.654  15.903   0.878
  481   2HD   LYS  92          3HD       LYS  92   0.696  14.971   2.019
  482   1HE   LYS  92          2HE       LYS  92   3.071  14.496   2.300
  483   2HE   LYS  92          3HE       LYS  92   2.233  13.034   1.775
  484   1HZ   LYS  92          1HZ       LYS  92   3.316  13.006  -0.112
  485   2HZ   LYS  92          2HZ       LYS  92   3.312  14.634  -0.366
  486   3HZ   LYS  92          3HZ       LYS  92   4.432  13.939   0.636
  487    HHA  HEC  93           HHA      HEC  93  -4.944  -0.650   6.379
  488    HHB  HEC  93           HHB      HEC  93  -0.548   0.611   1.901
  489    HHC  HEC  93           HHC      HEC  93  -1.897  -5.099  -0.821
  490    HHD  HEC  93           HHD      HEC  93  -7.005  -5.700   3.023
  491   1HMA  HEC  93          1HMA      HEC  93  -0.826   2.489   3.167
  492   2HMA  HEC  93          2HMA      HEC  93  -1.350   2.950   4.769
  493   3HMA  HEC  93          3HMA      HEC  93  -0.046   1.764   4.597
  494   1HAA  HEC  93          1HAA      HEC  93  -2.580   2.359   6.430
  495   2HAA  HEC  93          2HAA      HEC  93  -3.140   0.918   7.218
  496   1HBA  HEC  93          1HBA      HEC  93  -5.119   2.027   5.290
  497   2HBA  HEC  93          2HBA      HEC  93  -4.636   3.222   6.481
  498   1HMB  HEC  93          1HMB      HEC  93   0.710   0.435   0.187
  499   2HMB  HEC  93          2HMB      HEC  93   1.299  -0.723  -0.980
  500   3HMB  HEC  93          3HMB      HEC  93  -0.160   0.216  -1.332
  501    HAB  HEC  93           HAB      HEC  93  -0.397  -4.215  -1.953
  502   1HBB  HEC  93          1HBB      HEC  93   1.934  -3.998  -2.408
  503   2HBB  HEC  93          2HBB      HEC  93   2.111  -2.683  -1.242
  504   3HBB  HEC  93          3HBB      HEC  93   1.653  -4.296  -0.680
  505   1HMC  HEC  93          1HMC      HEC  93  -4.349  -6.635  -1.892
  506   2HMC  HEC  93          2HMC      HEC  93  -2.757  -7.068  -1.243
  507   3HMC  HEC  93          3HMC      HEC  93  -4.141  -8.084  -0.894
  508    HAC  HEC  93           HAC      HEC  93  -7.195  -7.145   1.491
  509   1HBC  HEC  93          1HBC      HEC  93  -5.490  -8.723   2.334
  510   2HBC  HEC  93          2HBC      HEC  93  -6.759  -9.466   1.346
  511   3HBC  HEC  93          3HBC      HEC  93  -5.144  -9.218   0.668
  512   1HMD  HEC  93          1HMD      HEC  93  -8.747  -4.316   6.090
  513   2HMD  HEC  93          2HMD      HEC  93  -8.792  -4.827   4.400
  514   3HMD  HEC  93          3HMD      HEC  93  -7.772  -5.695   5.567
  515   1HAD  HEC  93          1HAD      HEC  93  -8.118  -2.488   7.103
  516   2HAD  HEC  93          2HAD      HEC  93  -6.869  -1.271   7.245
  517   1HBD  HEC  93          1HBD      HEC  93  -5.326  -2.808   8.229
  518   2HBD  HEC  93          2HBD      HEC  93  -6.319  -4.192   7.757
  Start of MODEL    8
    1   1H    VAL  22          H1        VAL  22  11.594  -0.644 -11.706
    2   2H    VAL  22          H2        VAL  22  12.161   0.103 -10.368
    3   3H    VAL  22          H3        VAL  22  12.618  -1.477 -10.679
    4    HA   VAL  22           HA       VAL  22  10.275  -2.101 -10.461
    5    HB   VAL  22           HB       VAL  22  11.658  -0.714  -8.125
    6   1HG1  VAL  22          1HG1      VAL  22   9.000  -2.195  -7.959
    7   2HG1  VAL  22          2HG1      VAL  22   9.997  -1.596  -6.614
    8   3HG1  VAL  22          3HG1      VAL  22   9.225  -0.451  -7.683
    9   1HG2  VAL  22          1HG2      VAL  22  12.583  -2.904  -8.809
   10   2HG2  VAL  22          2HG2      VAL  22  11.734  -3.072  -7.261
   11   3HG2  VAL  22          3HG2      VAL  22  10.960  -3.630  -8.744
   12    H    ASP  23           H        ASP  23   8.176  -1.394 -10.388
   13    HA   ASP  23           HA       ASP  23   7.788   1.534 -10.863
   14   1HB   ASP  23          2HB       ASP  23   6.737  -0.969 -12.241
   15   2HB   ASP  23          3HB       ASP  23   6.095   0.660 -12.503
   16    H    ALA  24           H        ALA  24   7.035   2.062  -8.875
   17    HA   ALA  24           HA       ALA  24   5.638   0.720  -6.977
   18   1HB   ALA  24          1HB       ALA  24   6.390   3.038  -6.720
   19   2HB   ALA  24          2HB       ALA  24   5.191   3.597  -7.902
   20   3HB   ALA  24          3HB       ALA  24   4.655   2.918  -6.358
   21    H    GLU  25           H        GLU  25   4.098   2.548  -9.661
   22    HA   GLU  25           HA       GLU  25   1.466   1.897  -9.047
   23   1HB   GLU  25          2HB       GLU  25   2.345   2.260 -11.923
   24   2HB   GLU  25          3HB       GLU  25   0.867   2.744 -11.096
   25   1HG   GLU  25          2HG       GLU  25   2.681   4.208  -9.671
   26   2HG   GLU  25          3HG       GLU  25   3.570   4.077 -11.187
   27    H    ALA  26           H        ALA  26   3.807   0.094 -11.105
   28    HA   ALA  26           HA       ALA  26   1.940  -1.845 -12.097
   29   1HB   ALA  26          1HB       ALA  26   4.208  -1.397 -13.088
   30   2HB   ALA  26          2HB       ALA  26   4.928  -2.206 -11.672
   31   3HB   ALA  26          3HB       ALA  26   3.877  -3.112 -12.765
   32    H    VAL  27           H        VAL  27   4.162  -1.750  -9.294
   33    HA   VAL  27           HA       VAL  27   3.579  -4.392  -8.346
   34    HB   VAL  27           HB       VAL  27   4.405  -1.880  -6.803
   35   1HG1  VAL  27          1HG1      VAL  27   4.584  -4.804  -6.042
   36   2HG1  VAL  27          2HG1      VAL  27   5.218  -3.461  -5.076
   37   3HG1  VAL  27          3HG1      VAL  27   3.470  -3.652  -5.288
   38   1HG2  VAL  27          1HG2      VAL  27   6.065  -2.459  -8.520
   39   2HG2  VAL  27          2HG2      VAL  27   6.676  -2.895  -6.927
   40   3HG2  VAL  27          3HG2      VAL  27   6.031  -4.150  -8.017
   41    H    VAL  28           H        VAL  28   2.182  -1.214  -7.328
   42    HA   VAL  28           HA       VAL  28   0.254  -2.298  -5.603
   43    HB   VAL  28           HB       VAL  28   0.291   0.215  -7.296
   44   1HG1  VAL  28          1HG1      VAL  28  -1.448   0.329  -4.883
   45   2HG1  VAL  28          2HG1      VAL  28  -1.592   1.070  -6.480
   46   3HG1  VAL  28          3HG1      VAL  28  -2.092  -0.590  -6.232
   47   1HG2  VAL  28          1HG2      VAL  28   0.592   0.782  -4.500
   48   2HG2  VAL  28          2HG2      VAL  28   1.590  -0.623  -4.839
   49   3HG2  VAL  28          3HG2      VAL  28   1.813   0.866  -5.768
   50    H    GLN  29           H        GLN  29  -0.033  -1.609  -9.055
   51    HA   GLN  29           HA       GLN  29  -2.644  -2.411  -9.552
   52   1HB   GLN  29          2HB       GLN  29  -0.143  -2.528 -11.221
   53   2HB   GLN  29          3HB       GLN  29  -1.697  -3.077 -11.834
   54   1HG   GLN  29          2HG       GLN  29  -1.382  -0.286 -10.624
   55   2HG   GLN  29          3HG       GLN  29  -0.946  -0.625 -12.299
   56   1HE2  GLN  29          1HE2      GLN  29  -3.597  -0.029 -10.096
   57   2HE2  GLN  29          2HE2      GLN  29  -4.849  -0.153 -11.308
   58    H    GLN  30           H        GLN  30   0.092  -4.524  -8.720
   59    HA   GLN  30           HA       GLN  30  -1.893  -6.691  -8.647
   60   1HB   GLN  30          2HB       GLN  30   0.786  -6.881 -10.100
   61   2HB   GLN  30          3HB       GLN  30  -0.081  -8.307  -9.483
   62   1HG   GLN  30          2HG       GLN  30  -2.159  -7.205 -10.689
   63   2HG   GLN  30          3HG       GLN  30  -0.901  -6.497 -11.707
   64   1HE2  GLN  30          1HE2      GLN  30   0.404  -8.108 -12.991
   65   2HE2  GLN  30          2HE2      GLN  30  -0.194  -9.751 -13.181
   66    H    LYS  31           H        LYS  31  -1.400  -5.346  -6.548
   67    HA   LYS  31           HA       LYS  31  -0.737  -7.506  -4.806
   68   1HB   LYS  31          2HB       LYS  31   1.315  -5.360  -5.143
   69   2HB   LYS  31          3HB       LYS  31   0.998  -5.898  -3.509
   70   1HG   LYS  31          2HG       LYS  31   2.293  -7.703  -3.721
   71   2HG   LYS  31          3HG       LYS  31   1.352  -8.274  -5.087
   72   1HD   LYS  31          2HD       LYS  31   2.718  -6.441  -6.437
   73   2HD   LYS  31          3HD       LYS  31   3.835  -6.535  -5.062
   74   1HE   LYS  31          2HE       LYS  31   2.960  -8.991  -6.646
   75   2HE   LYS  31          3HE       LYS  31   4.247  -7.931  -7.227
   76   1HZ   LYS  31          1HZ       LYS  31   4.395  -9.160  -4.574
   77   2HZ   LYS  31          2HZ       LYS  31   5.043  -9.817  -5.941
   78   3HZ   LYS  31          3HZ       LYS  31   5.584  -8.363  -5.432
   79    H    CYS  32           H        CYS  32  -1.348  -3.965  -5.136
   80    HA   CYS  32           HA       CYS  32  -2.648  -4.032  -2.468
   81   1HB   CYS  32          2HB       CYS  32  -2.212  -1.596  -4.123
   82   2HB   CYS  32          3HB       CYS  32  -2.451  -1.733  -2.382
   83    H    ILE  33           H        ILE  33  -3.323  -3.061  -5.833
   84    HA   ILE  33           HA       ILE  33  -5.939  -2.228  -5.271
   85    HB   ILE  33           HB       ILE  33  -6.413  -2.329  -7.603
   86   1HG1  ILE  33          2HG1      ILE  33  -4.633  -3.000  -9.232
   87   2HG1  ILE  33          3HG1      ILE  33  -3.962  -4.047  -7.951
   88   1HG2  ILE  33          1HG2      ILE  33  -3.524  -1.527  -7.545
   89   2HG2  ILE  33          2HG2      ILE  33  -4.894  -0.673  -8.247
   90   3HG2  ILE  33          3HG2      ILE  33  -4.679  -0.697  -6.492
   91   1HD1  ILE  33          1HD1      ILE  33  -5.995  -5.419  -8.093
   92   2HD1  ILE  33          2HD1      ILE  33  -6.817  -4.159  -9.048
   93   3HD1  ILE  33          3HD1      ILE  33  -5.457  -5.065  -9.732
   94    H    SER  34           H        SER  34  -4.743  -5.476  -5.691
   95    HA   SER  34           HA       SER  34  -6.846  -7.111  -6.119
   96   1HB   SER  34          2HB       SER  34  -4.798  -7.228  -3.864
   97   2HB   SER  34          3HB       SER  34  -5.775  -8.602  -4.407
   98    HG   SER  34           HG       SER  34  -4.780  -8.438  -6.426
   99    H    CYS  35           H        CYS  35  -6.384  -5.133  -3.175
  100    HA   CYS  35           HA       CYS  35  -9.179  -5.871  -2.360
  101   1HB   CYS  35          2HB       CYS  35  -6.997  -4.969  -0.503
  102   2HB   CYS  35          3HB       CYS  35  -8.573  -5.660  -0.078
  103    H    HIS  36           HN       HIS  36  -6.666  -3.306  -2.469
  104    HA   HIS  36           HA       HIS  36  -8.433  -1.262  -1.441
  105   1HB   HIS  36          2HB       HIS  36  -5.675  -1.299  -2.717
  106   2HB   HIS  36          3HB       HIS  36  -6.480   0.182  -2.246
  107    HD1  HIS  36           HD1      HIS  36  -7.199   0.320   0.458
  108    HD2  HIS  36           HD2      HIS  36  -4.413  -2.589  -0.726
  109    HE1  HIS  36           1HE      HIS  36  -6.019  -0.416   2.571
  110    H    GLY  37           H        GLY  37  -8.326  -2.741  -4.509
  111   1HA   GLY  37          1HA       GLY  37  -9.818  -2.356  -6.205
  112   2HA   GLY  37          2HA       GLY  37 -10.195  -0.735  -5.586
  113    H    GLY  38           H        GLY  38  -9.435  -1.568  -8.320
  114   1HA   GLY  38          1HA       GLY  38  -6.931  -1.033  -9.313
  115   2HA   GLY  38          2HA       GLY  38  -8.427  -0.469 -10.047
  116    H    ASP  39           H        ASP  39  -9.216   1.250  -7.914
  117    HA   ASP  39           HA       ASP  39  -7.702   3.605  -8.803
  118   1HB   ASP  39          2HB       ASP  39 -10.465   3.155  -7.636
  119   2HB   ASP  39          3HB       ASP  39  -9.794   4.752  -8.007
  120    H    LEU  40           H        LEU  40  -7.716   1.608  -5.879
  121    HA   LEU  40           HA       LEU  40  -6.777   1.973  -3.943
  122   1HB   LEU  40          2HB       LEU  40  -5.891   4.774  -4.671
  123   2HB   LEU  40          3HB       LEU  40  -5.125   3.626  -3.589
  124    HG   LEU  40           HG       LEU  40  -5.245   3.346  -6.637
  125   1HD1  LEU  40          1HD1      LEU  40  -2.956   3.950  -6.651
  126   2HD1  LEU  40          2HD1      LEU  40  -3.871   5.241  -5.871
  127   3HD1  LEU  40          3HD1      LEU  40  -2.904   4.119  -4.881
  128   1HD2  LEU  40          1HD2      LEU  40  -3.765   1.512  -6.399
  129   2HD2  LEU  40          2HD2      LEU  40  -3.615   1.741  -4.635
  130   3HD2  LEU  40          3HD2      LEU  40  -5.141   1.177  -5.346
  131    H    THR  41           H        THR  41  -9.485   3.067  -4.792
  132    HA   THR  41           HA       THR  41 -10.112   5.262  -2.952
  133    HB   THR  41           HB       THR  41 -12.372   4.863  -4.191
  134    HG1  THR  41           1HG      THR  41 -11.986   3.702  -6.185
  135   1HG2  THR  41          1HG2      THR  41 -11.561   6.002  -6.254
  136   2HG2  THR  41          2HG2      THR  41 -10.889   6.732  -4.784
  137   3HG2  THR  41          3HG2      THR  41  -9.887   5.663  -5.777
  138    H    GLY  42           H        GLY  42  -9.826   1.893  -2.847
  139   1HA   GLY  42          1HA       GLY  42 -10.235   0.609  -1.038
  140   2HA   GLY  42          2HA       GLY  42 -11.449   1.725  -0.387
  141    H    ALA  43           H        ALA  43 -11.299  -1.203  -1.271
  142    HA   ALA  43           HA       ALA  43 -13.973  -1.348  -2.598
  143   1HB   ALA  43          1HB       ALA  43 -13.146  -3.230  -4.037
  144   2HB   ALA  43          2HB       ALA  43 -12.474  -1.642  -4.455
  145   3HB   ALA  43          3HB       ALA  43 -11.481  -2.815  -3.580
  146    H    SER  44           H        SER  44 -11.560  -3.835  -1.737
  147    HA   SER  44           HA       SER  44 -13.439  -4.986   0.270
  148   1HB   SER  44          2HB       SER  44 -10.875  -6.090  -0.918
  149   2HB   SER  44          3HB       SER  44 -11.941  -6.917   0.226
  150    HG   SER  44           HG       SER  44 -12.437  -7.515  -1.922
  151    H    ALA  45           H        ALA  45 -11.298  -2.528   0.300
  152    HA   ALA  45           HA       ALA  45 -10.328  -2.940   3.017
  153   1HB   ALA  45          1HB       ALA  45  -8.670  -4.103   1.562
  154   2HB   ALA  45          2HB       ALA  45  -8.485  -2.630   0.586
  155   3HB   ALA  45          3HB       ALA  45  -7.947  -2.658   2.264
  156    HA   PRO  46           HA       PRO  46 -11.054   1.390   2.888
  157   1HB   PRO  46          2HB       PRO  46  -9.214   2.555   4.563
  158   2HB   PRO  46          3HB       PRO  46 -10.496   1.452   5.138
  159   1HG   PRO  46          2HG       PRO  46  -7.615   0.774   4.512
  160   2HG   PRO  46          3HG       PRO  46  -8.556   0.350   5.972
  161   1HD   PRO  46          2HD       PRO  46  -8.223  -1.364   3.899
  162   2HD   PRO  46          3HD       PRO  46  -9.762  -1.333   4.803
  163    H    ALA  47           H        ALA  47 -10.309   3.534   2.144
  164    HA   ALA  47           HA       ALA  47  -8.800   3.202  -0.264
  165   1HB   ALA  47          1HB       ALA  47 -10.808   4.624   0.091
  166   2HB   ALA  47          2HB       ALA  47  -9.820   5.764   1.017
  167   3HB   ALA  47          3HB       ALA  47  -9.452   5.471  -0.700
  168    H    ILE  48           H        ILE  48  -6.644   3.305  -0.495
  169    HA   ILE  48           HA       ILE  48  -4.995   4.716   1.552
  170    HB   ILE  48           HB       ILE  48  -3.100   3.457   0.618
  171   1HG1  ILE  48          2HG1      ILE  48  -5.166   1.868  -0.956
  172   2HG1  ILE  48          3HG1      ILE  48  -3.988   3.009  -1.624
  173   1HG2  ILE  48          1HG2      ILE  48  -3.878   1.267   1.654
  174   2HG2  ILE  48          2HG2      ILE  48  -4.041   2.727   2.632
  175   3HG2  ILE  48          3HG2      ILE  48  -5.467   2.025   1.849
  176   1HD1  ILE  48          1HD1      ILE  48  -3.438   0.328  -0.331
  177   2HD1  ILE  48          2HD1      ILE  48  -2.975   0.914  -1.932
  178   3HD1  ILE  48          3HD1      ILE  48  -2.172   1.549  -0.483
  179    H    ASP  49           H        ASP  49  -6.381   5.445  -1.427
  180    HA   ASP  49           HA       ASP  49  -4.511   6.816  -2.866
  181   1HB   ASP  49          2HB       ASP  49  -6.862   6.777  -3.471
  182   2HB   ASP  49          3HB       ASP  49  -7.280   7.757  -2.054
  183    H    LYS  50           H        LYS  50  -5.617   7.799   0.382
  184    HA   LYS  50           HA       LYS  50  -3.817  10.189   0.272
  185   1HB   LYS  50          2HB       LYS  50  -5.282  11.179   1.977
  186   2HB   LYS  50          3HB       LYS  50  -6.109  10.914   0.438
  187   1HG   LYS  50          2HG       LYS  50  -7.275   8.982   1.265
  188   2HG   LYS  50          3HG       LYS  50  -6.276   8.931   2.738
  189   1HD   LYS  50          2HD       LYS  50  -7.238  11.138   3.438
  190   2HD   LYS  50          3HD       LYS  50  -8.193  11.172   1.953
  191   1HE   LYS  50          2HE       LYS  50  -9.616  10.424   3.782
  192   2HE   LYS  50          3HE       LYS  50  -9.387   9.106   2.625
  193   1HZ   LYS  50          1HZ       LYS  50  -7.725   8.181   4.132
  194   2HZ   LYS  50          2HZ       LYS  50  -7.985   9.399   5.208
  195   3HZ   LYS  50          3HZ       LYS  50  -9.180   8.330   4.868
  196    H    ALA  51           H        ALA  51  -3.164   7.323   0.881
  197    HA   ALA  51           HA       ALA  51  -2.836   7.002   3.698
  198   1HB   ALA  51          1HB       ALA  51  -1.178   5.920   1.385
  199   2HB   ALA  51          2HB       ALA  51  -1.081   5.384   3.084
  200   3HB   ALA  51          3HB       ALA  51  -2.573   5.139   2.169
  201    H    GLY  52           H        GLY  52  -0.772   8.552   1.160
  202   1HA   GLY  52          1HA       GLY  52   1.464   9.154   2.689
  203   2HA   GLY  52          2HA       GLY  52   0.850  10.111   1.323
  204    H    ALA  53           H        ALA  53  -1.708  10.708   2.791
  205    HA   ALA  53           HA       ALA  53  -0.768  13.121   4.127
  206   1HB   ALA  53          1HB       ALA  53  -2.901  12.964   2.772
  207   2HB   ALA  53          2HB       ALA  53  -3.580  11.954   4.061
  208   3HB   ALA  53          3HB       ALA  53  -3.105  13.627   4.404
  209    H    ASN  54           H        ASN  54  -1.761   9.880   5.054
  210    HA   ASN  54           HA       ASN  54  -2.273  10.594   7.880
  211   1HB   ASN  54          2HB       ASN  54  -2.547   8.023   6.256
  212   2HB   ASN  54          3HB       ASN  54  -2.723   8.098   8.009
  213   1HD2  ASN  54          1HD2      ASN  54  -4.080   9.575   4.948
  214   2HD2  ASN  54          2HD2      ASN  54  -5.578  10.027   5.751
  215    H    TYR  55           H        TYR  55   0.006   8.737   5.862
  216    HA   TYR  55           HA       TYR  55   1.890   8.398   8.154
  217   1HB   TYR  55          2HB       TYR  55   0.947   6.369   6.106
  218   2HB   TYR  55          3HB       TYR  55   2.064   6.021   7.407
  219    HD1  TYR  55           HD1      TYR  55  -0.853   4.966   6.428
  220    HD2  TYR  55           HD2      TYR  55   0.687   7.167   9.806
  221    HE1  TYR  55           HE1      TYR  55  -2.813   4.316   7.765
  222    HE2  TYR  55           HE2      TYR  55  -1.355   6.599  11.093
  223    HH   TYR  55           HH       TYR  55  -4.065   4.787   9.574
  224    H    SER  56           H        SER  56   4.017   8.825   7.510
  225    HA   SER  56           HA       SER  56   4.551   9.649   4.776
  226   1HB   SER  56          2HB       SER  56   6.510   9.061   7.036
  227   2HB   SER  56          3HB       SER  56   6.795  10.062   5.600
  228    HG   SER  56           HG       SER  56   5.094  11.438   6.371
  229    H    GLU  57           H        GLU  57   6.581   8.646   3.661
  230    HA   GLU  57           HA       GLU  57   5.920   6.152   2.698
  231   1HB   GLU  57          2HB       GLU  57   8.256   6.054   1.841
  232   2HB   GLU  57          3HB       GLU  57   7.283   7.449   1.382
  233   1HG   GLU  57          2HG       GLU  57   9.112   7.757   3.735
  234   2HG   GLU  57          3HG       GLU  57   9.751   7.711   2.095
  235    H    GLU  58           H        GLU  58   8.342   6.769   5.294
  236    HA   GLU  58           HA       GLU  58   9.068   4.072   5.674
  237   1HB   GLU  58          2HB       GLU  58   8.991   6.386   7.664
  238   2HB   GLU  58          3HB       GLU  58   9.789   4.828   7.931
  239   1HG   GLU  58          2HG       GLU  58  11.170   5.221   5.863
  240   2HG   GLU  58          3HG       GLU  58  10.487   6.851   5.748
  241    H    GLU  59           H        GLU  59   6.229   5.860   6.912
  242    HA   GLU  59           HA       GLU  59   5.537   3.846   8.912
  243   1HB   GLU  59          2HB       GLU  59   4.159   6.295   7.780
  244   2HB   GLU  59          3HB       GLU  59   3.478   5.294   9.075
  245   1HG   GLU  59          2HG       GLU  59   6.265   6.417   9.455
  246   2HG   GLU  59          3HG       GLU  59   4.888   7.521   9.545
  247    H    ILE  60           H        ILE  60   4.504   4.855   5.625
  248    HA   ILE  60           HA       ILE  60   2.398   2.947   5.377
  249    HB   ILE  60           HB       ILE  60   4.077   4.276   3.232
  250   1HG1  ILE  60          2HG1      ILE  60   1.342   4.764   4.496
  251   2HG1  ILE  60          3HG1      ILE  60   2.769   5.755   4.663
  252   1HG2  ILE  60          1HG2      ILE  60   1.459   2.723   2.957
  253   2HG2  ILE  60          2HG2      ILE  60   2.333   3.551   1.652
  254   3HG2  ILE  60          3HG2      ILE  60   3.038   2.138   2.407
  255   1HD1  ILE  60          1HD1      ILE  60   1.322   6.819   3.068
  256   2HD1  ILE  60          2HD1      ILE  60   2.684   6.161   2.140
  257   3HD1  ILE  60          3HD1      ILE  60   1.102   5.322   2.160
  258    H    LEU  61           H        LEU  61   5.876   2.868   4.524
  259    HA   LEU  61           HA       LEU  61   5.953   0.324   3.384
  260   1HB   LEU  61          2HB       LEU  61   7.842   1.854   3.217
  261   2HB   LEU  61          3HB       LEU  61   8.076   1.810   4.966
  262    HG   LEU  61           HG       LEU  61   8.650  -0.595   4.846
  263   1HD1  LEU  61          1HD1      LEU  61   8.707  -0.271   1.825
  264   2HD1  LEU  61          2HD1      LEU  61   9.059  -1.730   2.764
  265   3HD1  LEU  61          3HD1      LEU  61   7.405  -1.122   2.672
  266   1HD2  LEU  61          1HD2      LEU  61  10.415   1.090   4.805
  267   2HD2  LEU  61          2HD2      LEU  61  10.859  -0.287   3.778
  268   3HD2  LEU  61          3HD2      LEU  61  10.287   1.223   3.037
  269    H    ASP  62           H        ASP  62   6.398   1.273   6.846
  270    HA   ASP  62           HA       ASP  62   6.715  -1.249   7.961
  271   1HB   ASP  62          2HB       ASP  62   6.725   0.994   9.155
  272   2HB   ASP  62          3HB       ASP  62   4.952   0.939   9.123
  273    H    ILE  63           H        ILE  63   3.519   0.359   7.366
  274    HA   ILE  63           HA       ILE  63   1.965  -1.917   8.081
  275    HB   ILE  63           HB       ILE  63   1.335   0.319   6.109
  276   1HG1  ILE  63          2HG1      ILE  63   0.462  -0.043   8.995
  277   2HG1  ILE  63          3HG1      ILE  63   1.821   0.964   8.482
  278   1HG2  ILE  63          1HG2      ILE  63  -0.467  -1.814   7.313
  279   2HG2  ILE  63          2HG2      ILE  63  -1.064  -0.364   6.498
  280   3HG2  ILE  63          3HG2      ILE  63  -0.133  -1.542   5.589
  281   1HD1  ILE  63          1HD1      ILE  63  -1.085   1.435   7.766
  282   2HD1  ILE  63          2HD1      ILE  63  -0.035   2.413   8.794
  283   3HD1  ILE  63          3HD1      ILE  63   0.290   2.317   7.054
  284    H    ILE  64           H        ILE  64   3.330  -1.081   4.845
  285    HA   ILE  64           HA       ILE  64   2.169  -3.345   3.528
  286    HB   ILE  64           HB       ILE  64   4.743  -1.843   2.951
  287   1HG1  ILE  64          2HG1      ILE  64   2.076  -1.745   1.494
  288   2HG1  ILE  64          3HG1      ILE  64   2.431  -0.663   2.834
  289   1HG2  ILE  64          1HG2      ILE  64   4.529  -2.886   0.659
  290   2HG2  ILE  64          2HG2      ILE  64   4.940  -4.043   1.920
  291   3HG2  ILE  64          3HG2      ILE  64   3.275  -3.952   1.315
  292   1HD1  ILE  64          1HD1      ILE  64   4.011  -0.776   0.238
  293   2HD1  ILE  64          2HD1      ILE  64   2.933   0.506   0.806
  294   3HD1  ILE  64          3HD1      ILE  64   4.439   0.187   1.665
  295    H    LEU  65           H        LEU  65   5.186  -3.027   5.410
  296    HA   LEU  65           HA       LEU  65   6.123  -5.676   4.881
  297   1HB   LEU  65          2HB       LEU  65   6.823  -3.645   7.022
  298   2HB   LEU  65          3HB       LEU  65   7.643  -5.192   6.855
  299    HG   LEU  65           HG       LEU  65   7.567  -3.080   4.656
  300   1HD1  LEU  65          1HD1      LEU  65   9.907  -2.644   5.333
  301   2HD1  LEU  65          2HD1      LEU  65   8.784  -2.300   6.660
  302   3HD1  LEU  65          3HD1      LEU  65   9.740  -3.797   6.672
  303   1HD2  LEU  65          1HD2      LEU  65   9.495  -4.421   3.765
  304   2HD2  LEU  65          2HD2      LEU  65   9.109  -5.688   4.947
  305   3HD2  LEU  65          3HD2      LEU  65   7.945  -5.257   3.669
  306    H    ASN  66           H        ASN  66   3.841  -4.511   7.534
  307    HA   ASN  66           HA       ASN  66   3.983  -7.274   8.636
  308   1HB   ASN  66          2HB       ASN  66   3.719  -6.076  10.833
  309   2HB   ASN  66          3HB       ASN  66   5.347  -6.216  10.168
  310   1HD2  ASN  66          1HD2      ASN  66   6.528  -4.322  10.006
  311   2HD2  ASN  66          2HD2      ASN  66   5.897  -2.756  10.377
  312    H    GLY  67           H        GLY  67   2.399  -5.916   6.832
  313   1HA   GLY  67          1HA       GLY  67   0.235  -5.156   6.286
  314   2HA   GLY  67          2HA       GLY  67  -0.181  -6.690   6.896
  315    H    GLN  68           H        GLN  68  -2.134  -6.067   8.117
  316    HA   GLN  68           HA       GLN  68  -2.124  -4.716  10.538
  317   1HB   GLN  68          2HB       GLN  68  -1.542  -2.612   9.534
  318   2HB   GLN  68          3HB       GLN  68  -2.736  -2.781   8.246
  319   1HG   GLN  68          2HG       GLN  68  -4.516  -2.483   9.962
  320   2HG   GLN  68          3HG       GLN  68  -3.297  -2.477  11.238
  321   1HE2  GLN  68          1HE2      GLN  68  -5.329  -0.388   9.930
  322   2HE2  GLN  68          2HE2      GLN  68  -4.301   1.044   9.880
  323    H    GLY  69           H        GLY  69  -4.166  -5.150  11.564
  324   1HA   GLY  69          1HA       GLY  69  -6.061  -6.371  11.768
  325   2HA   GLY  69          2HA       GLY  69  -6.670  -5.236  10.557
  326    H    GLY  70           H        GLY  70  -7.573  -6.220   8.827
  327   1HA   GLY  70          1HA       GLY  70  -7.363  -9.055   8.326
  328   2HA   GLY  70          2HA       GLY  70  -8.189  -7.850   7.329
  329    H    MET  71           H        MET  71  -5.426  -6.347   7.293
  330    HA   MET  71           HA       MET  71  -4.675  -7.320   4.706
  331   1HB   MET  71          1HB       MET  71  -4.660  -4.946   5.503
  332   2HB   MET  71          2HB       MET  71  -3.266  -5.308   6.487
  333   1HG   MET  71          1HG       MET  71  -1.924  -5.935   4.699
  334   2HG   MET  71          2HG       MET  71  -3.207  -5.794   3.511
  335   1HE   MET  71          1HE       MET  71  -0.126  -4.529   4.156
  336   2HE   MET  71          2HE       MET  71  -0.948  -4.636   2.598
  337   3HE   MET  71          3HE       MET  71  -0.293  -3.066   3.160
  338    HA   PRO  72           HA       PRO  72  -1.678 -10.134   6.663
  339   1HB   PRO  72          2HB       PRO  72  -0.913 -11.574   4.469
  340   2HB   PRO  72          3HB       PRO  72  -2.433 -11.761   5.380
  341   1HG   PRO  72          2HG       PRO  72  -1.922 -10.313   2.754
  342   2HG   PRO  72          3HG       PRO  72  -3.335 -11.320   3.172
  343   1HD   PRO  72          2HD       PRO  72  -3.222  -8.505   3.311
  344   2HD   PRO  72          3HD       PRO  72  -4.385  -9.490   4.191
  345    H    GLY  73           H        GLY  73   0.224  -9.447   7.207
  346   1HA   GLY  73          1HA       GLY  73   1.631  -7.527   5.819
  347   2HA   GLY  73          2HA       GLY  73   2.338  -8.482   7.175
  348    H    GLY  74           H        GLY  74   3.330  -7.171   4.716
  349   1HA   GLY  74          1HA       GLY  74   5.250  -7.657   3.459
  350   2HA   GLY  74          2HA       GLY  74   5.200  -9.333   4.024
  351    H    ILE  75           H        ILE  75   2.495  -7.706   2.527
  352    HA   ILE  75           HA       ILE  75   1.916  -9.552   0.492
  353    HB   ILE  75           HB       ILE  75   1.146  -6.806   1.355
  354   1HG1  ILE  75          2HG1      ILE  75  -0.652  -8.834   0.072
  355   2HG1  ILE  75          3HG1      ILE  75   0.006  -9.129   1.687
  356   1HG2  ILE  75          1HG2      ILE  75   1.611  -6.274  -1.100
  357   2HG2  ILE  75          2HG2      ILE  75   0.702  -7.713  -1.579
  358   3HG2  ILE  75          3HG2      ILE  75  -0.115  -6.351  -0.824
  359   1HD1  ILE  75          1HD1      ILE  75  -1.265  -6.472   1.034
  360   2HD1  ILE  75          2HD1      ILE  75  -2.246  -7.860   1.510
  361   3HD1  ILE  75          3HD1      ILE  75  -1.011  -7.193   2.609
  362    H    ALA  76           H        ALA  76   3.688  -6.465   0.192
  363    HA   ALA  76           HA       ALA  76   5.338  -7.623  -2.012
  364   1HB   ALA  76          1HB       ALA  76   4.237  -5.511  -2.622
  365   2HB   ALA  76          2HB       ALA  76   4.850  -4.737  -1.142
  366   3HB   ALA  76          3HB       ALA  76   5.978  -5.256  -2.402
  367    H    LYS  77           H        LYS  77   7.686  -7.165  -1.767
  368    HA   LYS  77           HA       LYS  77   8.692  -6.277   0.815
  369   1HB   LYS  77          2HB       LYS  77   9.259  -9.067  -0.312
  370   2HB   LYS  77          3HB       LYS  77  10.347  -8.226   0.795
  371   1HG   LYS  77          2HG       LYS  77   8.356  -8.030   2.414
  372   2HG   LYS  77          3HG       LYS  77   7.547  -9.222   1.376
  373   1HD   LYS  77          2HD       LYS  77   9.607 -10.691   1.612
  374   2HD   LYS  77          3HD       LYS  77  10.266  -9.511   2.766
  375   1HE   LYS  77          2HE       LYS  77   8.287  -9.893   4.259
  376   2HE   LYS  77          3HE       LYS  77   7.661 -11.075   3.096
  377   1HZ   LYS  77          1HZ       LYS  77  10.112 -11.289   4.712
  378   2HZ   LYS  77          2HZ       LYS  77   8.780 -12.251   4.761
  379   3HZ   LYS  77          3HZ       LYS  77   9.780 -12.303   3.458
  380    H    GLY  78           H        GLY  78  11.127  -5.992   0.566
  381   1HA   GLY  78          1HA       GLY  78  12.948  -5.221  -0.593
  382   2HA   GLY  78          2HA       GLY  78  12.349  -6.090  -2.018
  383    H    ALA  79           H        ALA  79  13.265  -4.148  -3.082
  384    HA   ALA  79           HA       ALA  79  12.475  -1.561  -2.732
  385   1HB   ALA  79          1HB       ALA  79  13.142  -2.825  -5.408
  386   2HB   ALA  79          2HB       ALA  79  13.268  -1.106  -4.963
  387   3HB   ALA  79          3HB       ALA  79  14.318  -2.301  -4.181
  388    H    GLU  80           H        GLU  80  10.642  -4.063  -4.377
  389    HA   GLU  80           HA       GLU  80   8.462  -2.749  -5.537
  390   1HB   GLU  80          2HB       GLU  80   9.080  -5.319  -4.307
  391   2HB   GLU  80          3HB       GLU  80   7.431  -4.852  -3.916
  392   1HG   GLU  80          2HG       GLU  80   6.757  -5.011  -6.097
  393   2HG   GLU  80          3HG       GLU  80   8.367  -4.749  -6.755
  394    H    ALA  81           H        ALA  81   8.722  -3.635  -2.070
  395    HA   ALA  81           HA       ALA  81   6.274  -2.317  -1.348
  396   1HB   ALA  81          1HB       ALA  81   7.019  -2.724   0.962
  397   2HB   ALA  81          2HB       ALA  81   7.237  -4.165  -0.043
  398   3HB   ALA  81          3HB       ALA  81   8.639  -3.161   0.384
  399    H    GLU  82           H        GLU  82   9.699  -1.379  -1.170
  400    HA   GLU  82           HA       GLU  82   9.442   1.080   0.215
  401   1HB   GLU  82          2HB       GLU  82  11.453   0.215  -1.893
  402   2HB   GLU  82          3HB       GLU  82  11.690   1.524  -0.751
  403   1HG   GLU  82          2HG       GLU  82  11.799   0.050   1.121
  404   2HG   GLU  82          3HG       GLU  82  11.157  -1.327   0.228
  405    H    ALA  83           H        ALA  83   9.587   0.460  -3.309
  406    HA   ALA  83           HA       ALA  83   9.259   3.139  -4.176
  407   1HB   ALA  83          1HB       ALA  83   8.463   0.527  -5.537
  408   2HB   ALA  83          2HB       ALA  83   8.639   2.103  -6.336
  409   3HB   ALA  83          3HB       ALA  83  10.057   1.309  -5.625
  410    H    VAL  84           H        VAL  84   6.870   0.493  -3.675
  411    HA   VAL  84           HA       VAL  84   4.537   1.939  -4.351
  412    HB   VAL  84           HB       VAL  84   5.016  -0.328  -2.380
  413   1HG1  VAL  84          1HG1      VAL  84   2.455   1.075  -3.202
  414   2HG1  VAL  84          2HG1      VAL  84   2.486  -0.594  -2.585
  415   3HG1  VAL  84          3HG1      VAL  84   3.043   0.748  -1.572
  416   1HG2  VAL  84          1HG2      VAL  84   5.371  -0.891  -4.804
  417   2HG2  VAL  84          2HG2      VAL  84   3.909  -1.639  -4.161
  418   3HG2  VAL  84          3HG2      VAL  84   3.809  -0.184  -5.173
  419    H    ALA  85           H        ALA  85   5.932   1.505  -1.078
  420    HA   ALA  85           HA       ALA  85   4.315   3.227   0.348
  421   1HB   ALA  85          1HB       ALA  85   6.125   1.782   1.308
  422   2HB   ALA  85          2HB       ALA  85   7.326   2.973   0.765
  423   3HB   ALA  85          3HB       ALA  85   6.096   3.438   1.939
  424    H    ALA  86           H        ALA  86   7.337   4.146  -1.371
  425    HA   ALA  86           HA       ALA  86   7.280   6.906  -0.697
  426   1HB   ALA  86          1HB       ALA  86   8.851   7.195  -2.544
  427   2HB   ALA  86          2HB       ALA  86   9.256   5.760  -1.579
  428   3HB   ALA  86          3HB       ALA  86   8.462   5.573  -3.159
  429    H    TRP  87           H        TRP  87   6.029   5.239  -3.602
  430    HA   TRP  87           HA       TRP  87   5.005   7.555  -4.912
  431   1HB   TRP  87          2HB       TRP  87   5.413   5.428  -5.983
  432   2HB   TRP  87          3HB       TRP  87   4.247   4.630  -4.929
  433    HD1  TRP  87           HD1      TRP  87   4.185   7.390  -7.653
  434    HE1  TRP  87           HE1      TRP  87   2.162   6.894  -9.197
  435    HE3  TRP  87           HE3      TRP  87   2.194   3.352  -5.227
  436    HZ2  TRP  87           HZ2      TRP  87  -0.225   5.318  -9.110
  437    HZ3  TRP  87           HZ3      TRP  87  -0.028   2.500  -5.880
  438    HH2  TRP  87           HH2      TRP  87  -1.197   3.378  -7.846
  439    H    LEU  88           H        LEU  88   3.482   5.260  -2.612
  440    HA   LEU  88           HA       LEU  88   0.935   6.595  -2.493
  441   1HB   LEU  88          2HB       LEU  88   2.388   4.645  -0.687
  442   2HB   LEU  88          3HB       LEU  88   0.890   5.401  -0.193
  443    HG   LEU  88           HG       LEU  88   1.109   3.037  -1.609
  444   1HD1  LEU  88          1HD1      LEU  88  -1.268   4.916  -1.278
  445   2HD1  LEU  88          2HD1      LEU  88  -1.382   3.235  -1.817
  446   3HD1  LEU  88          3HD1      LEU  88  -0.788   3.601  -0.169
  447   1HD2  LEU  88          1HD2      LEU  88   0.100   3.264  -3.691
  448   2HD2  LEU  88          2HD2      LEU  88  -0.251   4.992  -3.488
  449   3HD2  LEU  88          3HD2      LEU  88   1.428   4.446  -3.651
  450    H    ALA  89           H        ALA  89   3.967   7.130  -0.667
  451    HA   ALA  89           HA       ALA  89   2.912   9.057   1.114
  452   1HB   ALA  89          1HB       ALA  89   5.132   8.023   1.299
  453   2HB   ALA  89          2HB       ALA  89   5.716   9.064  -0.025
  454   3HB   ALA  89          3HB       ALA  89   5.143   9.786   1.484
  455    H    GLU  90           H        GLU  90   4.104   9.327  -2.230
  456    HA   GLU  90           HA       GLU  90   3.821  12.137  -2.476
  457   1HB   GLU  90          2HB       GLU  90   4.906  10.363  -4.074
  458   2HB   GLU  90          3HB       GLU  90   3.299  10.279  -4.812
  459   1HG   GLU  90          2HG       GLU  90   3.378  12.693  -5.284
  460   2HG   GLU  90          3HG       GLU  90   4.926  12.831  -4.424
  461    H    LYS  91           H        LYS  91   1.431   9.493  -2.819
  462    HA   LYS  91           HA       LYS  91  -0.676  11.294  -3.711
  463   1HB   LYS  91          2HB       LYS  91  -1.105   8.503  -2.629
  464   2HB   LYS  91          3HB       LYS  91  -2.150   9.503  -3.653
  465   1HG   LYS  91          2HG       LYS  91  -0.100   9.430  -5.337
  466   2HG   LYS  91          3HG       LYS  91   0.388   8.054  -4.366
  467   1HD   LYS  91          2HD       LYS  91  -0.948   6.740  -5.578
  468   2HD   LYS  91          3HD       LYS  91  -2.339   7.517  -4.825
  469   1HE   LYS  91          2HE       LYS  91  -0.931   8.438  -7.384
  470   2HE   LYS  91          3HE       LYS  91  -2.434   7.511  -7.325
  471   1HZ   LYS  91          1HZ       LYS  91  -3.494   9.329  -6.176
  472   2HZ   LYS  91          2HZ       LYS  91  -2.094  10.197  -6.173
  473   3HZ   LYS  91          3HZ       LYS  91  -2.837   9.860  -7.600
  474    H    LYS  92           H        LYS  92  -1.315  12.916  -2.368
  475    HA   LYS  92           HA       LYS  92  -2.767  12.360   0.004
  476   1HB   LYS  92          2HB       LYS  92  -1.398  13.988   1.368
  477   2HB   LYS  92          3HB       LYS  92  -0.626  12.408   1.115
  478   1HG   LYS  92          2HG       LYS  92   0.892  13.234  -0.459
  479   2HG   LYS  92          3HG       LYS  92   0.008  14.770  -0.658
  480   1HD   LYS  92          2HD       LYS  92   0.657  15.554   1.510
  481   2HD   LYS  92          3HD       LYS  92   1.099  13.934   2.060
  482   1HE   LYS  92          2HE       LYS  92   3.104  15.323   1.634
  483   2HE   LYS  92          3HE       LYS  92   3.050  13.843   0.664
  484   1HZ   LYS  92          1HZ       LYS  92   3.706  15.706  -0.659
  485   2HZ   LYS  92          2HZ       LYS  92   2.256  15.137  -1.187
  486   3HZ   LYS  92          3HZ       LYS  92   2.322  16.529  -0.304
  487    HHA  HEC  93           HHA      HEC  93  -5.146  -0.483   6.371
  488    HHB  HEC  93           HHB      HEC  93  -0.624   0.696   1.990
  489    HHC  HEC  93           HHC      HEC  93  -1.951  -5.026  -0.754
  490    HHD  HEC  93           HHD      HEC  93  -7.066  -5.640   3.034
  491   1HMA  HEC  93          1HMA      HEC  93  -1.015   2.624   3.193
  492   2HMA  HEC  93          2HMA      HEC  93  -1.466   3.044   4.828
  493   3HMA  HEC  93          3HMA      HEC  93  -0.174   1.864   4.566
  494   1HAA  HEC  93          1HAA      HEC  93  -2.835   2.532   6.367
  495   2HAA  HEC  93          2HAA      HEC  93  -3.620   1.207   7.185
  496   1HBA  HEC  93          1HBA      HEC  93  -5.728   1.844   6.449
  497   2HBA  HEC  93          2HBA      HEC  93  -5.126   2.400   4.878
  498   1HMB  HEC  93          1HMB      HEC  93   1.423  -0.619  -0.540
  499   2HMB  HEC  93          2HMB      HEC  93   0.057   0.075  -1.437
  500   3HMB  HEC  93          3HMB      HEC  93   0.455   0.657   0.164
  501    HAB  HEC  93           HAB      HEC  93  -0.347  -4.173  -1.809
  502   1HBB  HEC  93          1HBB      HEC  93   2.109  -2.535  -1.150
  503   2HBB  HEC  93          2HBB      HEC  93   1.652  -4.064  -0.388
  504   3HBB  HEC  93          3HBB      HEC  93   1.992  -3.992  -2.131
  505   1HMC  HEC  93          1HMC      HEC  93  -4.027  -6.435  -1.821
  506   2HMC  HEC  93          2HMC      HEC  93  -2.736  -7.228  -0.886
  507   3HMC  HEC  93          3HMC      HEC  93  -4.344  -7.937  -0.938
  508    HAC  HEC  93           HAC      HEC  93  -7.245  -7.083   1.536
  509   1HBC  HEC  93          1HBC      HEC  93  -5.691  -8.692   2.436
  510   2HBC  HEC  93          2HBC      HEC  93  -6.767  -9.433   1.243
  511   3HBC  HEC  93          3HBC      HEC  93  -5.081  -9.082   0.816
  512   1HMD  HEC  93          1HMD      HEC  93  -8.280  -4.855   6.379
  513   2HMD  HEC  93          2HMD      HEC  93  -9.221  -4.080   5.095
  514   3HMD  HEC  93          3HMD      HEC  93  -8.301  -5.558   4.772
  515   1HAD  HEC  93          1HAD      HEC  93  -8.398  -2.285   6.941
  516   2HAD  HEC  93          2HAD      HEC  93  -7.097  -1.128   7.153
  517   1HBD  HEC  93          1HBD      HEC  93  -5.717  -2.989   8.150
  518   2HBD  HEC  93          2HBD      HEC  93  -7.168  -3.995   8.153
  Start of MODEL    9
    1   1H    VAL  22          H1        VAL  22  11.810  -0.053 -11.140
    2   2H    VAL  22          H2        VAL  22  11.909   0.321  -9.550
    3   3H    VAL  22          H3        VAL  22  12.703  -1.026 -10.127
    4    HA   VAL  22           HA       VAL  22  10.494  -1.947 -10.683
    5    HB   VAL  22           HB       VAL  22  11.526  -1.364  -7.932
    6   1HG1  VAL  22          1HG1      VAL  22   9.118  -0.959  -7.499
    7   2HG1  VAL  22          2HG1      VAL  22   8.746  -2.547  -8.229
    8   3HG1  VAL  22          3HG1      VAL  22   9.786  -2.415  -6.791
    9   1HG2  VAL  22          1HG2      VAL  22  10.526  -3.923  -9.263
   10   2HG2  VAL  22          2HG2      VAL  22  12.224  -3.388  -9.226
   11   3HG2  VAL  22          3HG2      VAL  22  11.377  -3.810  -7.718
   12    H    ASP  23           H        ASP  23   8.417  -1.317 -11.228
   13    HA   ASP  23           HA       ASP  23   7.839   1.532 -10.926
   14   1HB   ASP  23          2HB       ASP  23   7.066  -0.637 -12.765
   15   2HB   ASP  23          3HB       ASP  23   5.676   0.295 -12.201
   16    H    ALA  24           H        ALA  24   7.066   2.160  -9.038
   17    HA   ALA  24           HA       ALA  24   5.746   0.747  -7.066
   18   1HB   ALA  24          1HB       ALA  24   5.113   3.624  -7.877
   19   2HB   ALA  24          2HB       ALA  24   4.890   2.864  -6.291
   20   3HB   ALA  24          3HB       ALA  24   6.524   3.148  -6.920
   21    H    GLU  25           H        GLU  25   4.174   2.647  -9.717
   22    HA   GLU  25           HA       GLU  25   1.568   1.967  -9.027
   23   1HB   GLU  25          2HB       GLU  25   2.286   2.416 -11.924
   24   2HB   GLU  25          3HB       GLU  25   0.860   2.862 -11.006
   25   1HG   GLU  25          2HG       GLU  25   2.762   4.304  -9.658
   26   2HG   GLU  25          3HG       GLU  25   3.531   4.229 -11.240
   27    H    ALA  26           H        ALA  26   3.810   0.258 -11.264
   28    HA   ALA  26           HA       ALA  26   1.979  -1.716 -12.171
   29   1HB   ALA  26          1HB       ALA  26   4.989  -1.996 -11.802
   30   2HB   ALA  26          2HB       ALA  26   3.941  -3.021 -12.793
   31   3HB   ALA  26          3HB       ALA  26   4.173  -1.319 -13.234
   32    H    VAL  27           H        VAL  27   4.281  -1.763  -9.402
   33    HA   VAL  27           HA       VAL  27   3.616  -4.393  -8.483
   34    HB   VAL  27           HB       VAL  27   4.562  -1.881  -6.994
   35   1HG1  VAL  27          1HG1      VAL  27   4.355  -4.740  -6.049
   36   2HG1  VAL  27          2HG1      VAL  27   5.167  -3.438  -5.158
   37   3HG1  VAL  27          3HG1      VAL  27   3.419  -3.397  -5.375
   38   1HG2  VAL  27          1HG2      VAL  27   6.038  -4.401  -7.876
   39   2HG2  VAL  27          2HG2      VAL  27   6.187  -2.810  -8.639
   40   3HG2  VAL  27          3HG2      VAL  27   6.726  -3.039  -6.968
   41    H    VAL  28           H        VAL  28   2.332  -1.194  -7.460
   42    HA   VAL  28           HA       VAL  28   0.474  -2.202  -5.628
   43    HB   VAL  28           HB       VAL  28   0.511   0.328  -7.326
   44   1HG1  VAL  28          1HG1      VAL  28  -1.487   0.976  -6.582
   45   2HG1  VAL  28          2HG1      VAL  28  -1.770  -0.615  -5.893
   46   3HG1  VAL  28          3HG1      VAL  28  -1.033   0.632  -4.896
   47   1HG2  VAL  28          1HG2      VAL  28   2.345   0.154  -5.699
   48   2HG2  VAL  28          2HG2      VAL  28   1.184   1.302  -5.071
   49   3HG2  VAL  28          3HG2      VAL  28   1.202  -0.337  -4.447
   50    H    GLN  29           H        GLN  29   0.039  -1.452  -9.040
   51    HA   GLN  29           HA       GLN  29  -2.600  -2.170  -9.472
   52   1HB   GLN  29          2HB       GLN  29  -0.160  -2.245 -11.226
   53   2HB   GLN  29          3HB       GLN  29  -1.734  -2.748 -11.822
   54   1HG   GLN  29          2HG       GLN  29  -1.390  -0.030 -10.483
   55   2HG   GLN  29          3HG       GLN  29  -0.988  -0.286 -12.183
   56   1HE2  GLN  29          1HE2      GLN  29  -3.595   0.300  -9.949
   57   2HE2  GLN  29          2HE2      GLN  29  -4.870   0.155 -11.128
   58    H    GLN  30           H        GLN  30   0.044  -4.362  -8.639
   59    HA   GLN  30           HA       GLN  30  -1.989  -6.441  -8.770
   60   1HB   GLN  30          2HB       GLN  30  -0.509  -6.443 -10.922
   61   2HB   GLN  30          3HB       GLN  30   0.776  -7.051  -9.873
   62   1HG   GLN  30          2HG       GLN  30  -0.352  -8.880 -10.993
   63   2HG   GLN  30          3HG       GLN  30  -0.721  -8.990  -9.272
   64   1HE2  GLN  30          1HE2      GLN  30  -2.955  -8.629  -8.582
   65   2HE2  GLN  30          2HE2      GLN  30  -4.237  -8.457  -9.764
   66    H    LYS  31           H        LYS  31  -1.159  -5.045  -6.614
   67    HA   LYS  31           HA       LYS  31  -0.774  -7.384  -4.937
   68   1HB   LYS  31          2HB       LYS  31   1.386  -5.253  -4.965
   69   2HB   LYS  31          3HB       LYS  31   0.908  -5.973  -3.445
   70   1HG   LYS  31          2HG       LYS  31   2.259  -7.686  -3.772
   71   2HG   LYS  31          3HG       LYS  31   1.229  -8.222  -5.099
   72   1HD   LYS  31          2HD       LYS  31   2.585  -6.491  -6.533
   73   2HD   LYS  31          3HD       LYS  31   3.745  -6.550  -5.181
   74   1HE   LYS  31          2HE       LYS  31   2.792  -9.005  -6.724
   75   2HE   LYS  31          3HE       LYS  31   4.230  -8.066  -7.151
   76   1HZ   LYS  31          1HZ       LYS  31   5.188  -8.516  -5.058
   77   2HZ   LYS  31          2HZ       LYS  31   3.887  -9.368  -4.530
   78   3HZ   LYS  31          3HZ       LYS  31   4.814  -9.930  -5.783
   79    H    CYS  32           H        CYS  32  -1.353  -3.834  -5.089
   80    HA   CYS  32           HA       CYS  32  -2.653  -4.037  -2.437
   81   1HB   CYS  32          2HB       CYS  32  -2.227  -1.515  -3.987
   82   2HB   CYS  32          3HB       CYS  32  -2.396  -1.739  -2.256
   83    H    ILE  33           H        ILE  33  -3.314  -2.922  -5.733
   84    HA   ILE  33           HA       ILE  33  -5.950  -2.109  -5.259
   85    HB   ILE  33           HB       ILE  33  -6.320  -2.288  -7.638
   86   1HG1  ILE  33          2HG1      ILE  33  -4.360  -3.061  -9.067
   87   2HG1  ILE  33          3HG1      ILE  33  -3.904  -4.085  -7.690
   88   1HG2  ILE  33          1HG2      ILE  33  -4.589  -0.784  -8.373
   89   2HG2  ILE  33          2HG2      ILE  33  -4.855  -0.462  -6.656
   90   3HG2  ILE  33          3HG2      ILE  33  -3.449  -1.401  -7.179
   91   1HD1  ILE  33          1HD1      ILE  33  -6.625  -4.666  -8.177
   92   2HD1  ILE  33          2HD1      ILE  33  -5.994  -4.229  -9.771
   93   3HD1  ILE  33          3HD1      ILE  33  -5.231  -5.541  -8.861
   94    H    SER  34           H        SER  34  -4.684  -5.365  -5.746
   95    HA   SER  34           HA       SER  34  -6.741  -7.000  -6.229
   96   1HB   SER  34          2HB       SER  34  -4.833  -7.284  -3.874
   97   2HB   SER  34          3HB       SER  34  -5.595  -8.588  -4.806
   98    HG   SER  34           HG       SER  34  -3.476  -8.195  -5.553
   99    H    CYS  35           H        CYS  35  -6.347  -5.109  -3.220
  100    HA   CYS  35           HA       CYS  35  -9.120  -5.940  -2.415
  101   1HB   CYS  35          2HB       CYS  35  -6.949  -4.976  -0.572
  102   2HB   CYS  35          3HB       CYS  35  -8.516  -5.682  -0.137
  103    H    HIS  36           HN       HIS  36  -6.683  -3.297  -2.491
  104    HA   HIS  36           HA       HIS  36  -8.508  -1.314  -1.458
  105   1HB   HIS  36          2HB       HIS  36  -5.746  -1.240  -2.738
  106   2HB   HIS  36          3HB       HIS  36  -6.592   0.196  -2.192
  107    HD1  HIS  36           HD1      HIS  36  -7.393   0.121   0.488
  108    HD2  HIS  36           HD2      HIS  36  -4.329  -2.452  -0.780
  109    HE1  HIS  36           1HE      HIS  36  -6.178  -0.607   2.587
  110    H    GLY  37           H        GLY  37  -8.348  -2.728  -4.555
  111   1HA   GLY  37          1HA       GLY  37  -9.798  -2.326  -6.293
  112   2HA   GLY  37          2HA       GLY  37 -10.204  -0.716  -5.663
  113    H    GLY  38           H        GLY  38  -9.379  -1.429  -8.393
  114   1HA   GLY  38          1HA       GLY  38  -6.836  -1.008  -9.314
  115   2HA   GLY  38          2HA       GLY  38  -8.273  -0.305 -10.044
  116    H    ASP  39           H        ASP  39  -9.094   1.464  -8.167
  117    HA   ASP  39           HA       ASP  39  -7.280   3.663  -8.720
  118   1HB   ASP  39          2HB       ASP  39 -10.112   3.621  -7.620
  119   2HB   ASP  39          3HB       ASP  39  -9.255   5.003  -8.320
  120    H    LEU  40           H        LEU  40  -7.727   1.581  -5.934
  121    HA   LEU  40           HA       LEU  40  -7.008   1.709  -3.926
  122   1HB   LEU  40          2HB       LEU  40  -5.681   4.369  -4.511
  123   2HB   LEU  40          3HB       LEU  40  -5.282   3.238  -3.246
  124    HG   LEU  40           HG       LEU  40  -5.227   1.827  -5.826
  125   1HD1  LEU  40          1HD1      LEU  40  -4.711   4.041  -6.779
  126   2HD1  LEU  40          2HD1      LEU  40  -3.352   4.205  -5.646
  127   3HD1  LEU  40          3HD1      LEU  40  -3.354   2.912  -6.870
  128   1HD2  LEU  40          1HD2      LEU  40  -3.296   0.958  -5.063
  129   2HD2  LEU  40          2HD2      LEU  40  -2.887   2.351  -4.025
  130   3HD2  LEU  40          3HD2      LEU  40  -4.200   1.222  -3.584
  131    H    THR  41           H        THR  41  -9.482   2.977  -4.851
  132    HA   THR  41           HA       THR  41 -10.230   5.168  -3.081
  133    HB   THR  41           HB       THR  41 -12.439   4.644  -4.367
  134    HG1  THR  41           1HG      THR  41 -12.022   2.549  -5.013
  135   1HG2  THR  41          1HG2      THR  41 -11.000   6.482  -5.083
  136   2HG2  THR  41          2HG2      THR  41  -9.904   5.366  -5.914
  137   3HG2  THR  41          3HG2      THR  41 -11.559   5.587  -6.510
  138    H    GLY  42           H        GLY  42  -9.909   1.784  -2.907
  139   1HA   GLY  42          1HA       GLY  42 -10.349   0.509  -1.039
  140   2HA   GLY  42          2HA       GLY  42 -11.705   1.541  -0.554
  141    H    ALA  43           H        ALA  43 -11.670  -1.269  -1.026
  142    HA   ALA  43           HA       ALA  43 -14.033  -1.515  -2.712
  143   1HB   ALA  43          1HB       ALA  43 -11.579  -3.108  -3.613
  144   2HB   ALA  43          2HB       ALA  43 -13.221  -3.189  -4.272
  145   3HB   ALA  43          3HB       ALA  43 -12.264  -1.711  -4.448
  146    H    SER  44           H        SER  44 -11.531  -3.860  -1.683
  147    HA   SER  44           HA       SER  44 -13.515  -5.222   0.089
  148   1HB   SER  44          2HB       SER  44 -12.267  -6.492  -1.743
  149   2HB   SER  44          3HB       SER  44 -10.786  -6.214  -0.807
  150    HG   SER  44           HG       SER  44 -13.121  -7.463   0.230
  151    H    ALA  45           H        ALA  45 -11.385  -2.717   0.284
  152    HA   ALA  45           HA       ALA  45 -10.668  -3.111   3.072
  153   1HB   ALA  45          1HB       ALA  45  -8.952  -4.290   1.505
  154   2HB   ALA  45          2HB       ALA  45  -8.482  -2.658   0.987
  155   3HB   ALA  45          3HB       ALA  45  -8.320  -3.171   2.676
  156    HA   PRO  46           HA       PRO  46 -11.222   1.206   2.993
  157   1HB   PRO  46          2HB       PRO  46  -9.266   2.355   4.576
  158   2HB   PRO  46          3HB       PRO  46 -10.578   1.321   5.206
  159   1HG   PRO  46          2HG       PRO  46  -7.728   0.561   4.602
  160   2HG   PRO  46          3HG       PRO  46  -8.725   0.114   6.011
  161   1HD   PRO  46          2HD       PRO  46  -8.303  -1.479   3.849
  162   2HD   PRO  46          3HD       PRO  46  -9.811  -1.589   4.806
  163    H    ALA  47           H        ALA  47 -10.477   3.371   2.254
  164    HA   ALA  47           HA       ALA  47  -8.942   3.127  -0.199
  165   1HB   ALA  47          1HB       ALA  47  -9.578   5.437  -0.514
  166   2HB   ALA  47          2HB       ALA  47 -10.971   4.523   0.117
  167   3HB   ALA  47          3HB       ALA  47 -10.060   5.591   1.194
  168    H    ILE  48           H        ILE  48  -6.800   3.307  -0.377
  169    HA   ILE  48           HA       ILE  48  -5.220   4.690   1.764
  170    HB   ILE  48           HB       ILE  48  -3.331   3.334   1.079
  171   1HG1  ILE  48          2HG1      ILE  48  -5.230   1.790  -0.737
  172   2HG1  ILE  48          3HG1      ILE  48  -4.030   2.971  -1.290
  173   1HG2  ILE  48          1HG2      ILE  48  -4.708   2.644   2.937
  174   2HG2  ILE  48          2HG2      ILE  48  -5.841   1.808   1.865
  175   3HG2  ILE  48          3HG2      ILE  48  -4.187   1.212   2.049
  176   1HD1  ILE  48          1HD1      ILE  48  -3.040   0.812  -1.535
  177   2HD1  ILE  48          2HD1      ILE  48  -2.228   1.623  -0.185
  178   3HD1  ILE  48          3HD1      ILE  48  -3.437   0.365   0.125
  179    H    ASP  49           H        ASP  49  -6.461   5.204  -1.281
  180    HA   ASP  49           HA       ASP  49  -4.797   6.582  -2.862
  181   1HB   ASP  49          2HB       ASP  49  -7.140   6.563  -3.224
  182   2HB   ASP  49          3HB       ASP  49  -7.489   7.281  -1.642
  183    H    LYS  50           H        LYS  50  -5.814   7.774   0.370
  184    HA   LYS  50           HA       LYS  50  -3.837  10.000   0.183
  185   1HB   LYS  50          2HB       LYS  50  -5.285  11.251   1.649
  186   2HB   LYS  50          3HB       LYS  50  -6.151  10.711   0.215
  187   1HG   LYS  50          2HG       LYS  50  -6.648   8.635   2.073
  188   2HG   LYS  50          3HG       LYS  50  -6.618  10.096   3.066
  189   1HD   LYS  50          2HD       LYS  50  -8.235  11.163   1.486
  190   2HD   LYS  50          3HD       LYS  50  -8.260   9.672   0.521
  191   1HE   LYS  50          2HE       LYS  50  -9.212   8.398   2.369
  192   2HE   LYS  50          3HE       LYS  50  -9.038   9.765   3.485
  193   1HZ   LYS  50          1HZ       LYS  50 -10.711   9.896   1.074
  194   2HZ   LYS  50          2HZ       LYS  50 -11.289   9.427   2.542
  195   3HZ   LYS  50          3HZ       LYS  50 -10.683  10.943   2.344
  196    H    ALA  51           H        ALA  51  -3.166   7.263   0.909
  197    HA   ALA  51           HA       ALA  51  -2.859   7.060   3.748
  198   1HB   ALA  51          1HB       ALA  51  -1.098   5.413   3.212
  199   2HB   ALA  51          2HB       ALA  51  -2.612   5.116   2.350
  200   3HB   ALA  51          3HB       ALA  51  -1.232   5.841   1.487
  201    H    GLY  52           H        GLY  52  -0.686   8.428   1.149
  202   1HA   GLY  52          1HA       GLY  52   1.523   8.988   2.653
  203   2HA   GLY  52          2HA       GLY  52   0.947   9.984   1.300
  204    H    ALA  53           H        ALA  53  -1.498  10.810   2.692
  205    HA   ALA  53           HA       ALA  53  -0.402  13.099   4.158
  206   1HB   ALA  53          1HB       ALA  53  -3.233  12.148   3.571
  207   2HB   ALA  53          2HB       ALA  53  -2.852  13.612   4.500
  208   3HB   ALA  53          3HB       ALA  53  -2.357  13.489   2.803
  209    H    ASN  54           H        ASN  54  -1.879   9.985   4.948
  210    HA   ASN  54           HA       ASN  54  -2.407  10.680   7.753
  211   1HB   ASN  54          2HB       ASN  54  -2.638   8.134   6.089
  212   2HB   ASN  54          3HB       ASN  54  -2.729   8.124   7.845
  213   1HD2  ASN  54          1HD2      ASN  54  -4.379   9.423   4.898
  214   2HD2  ASN  54          2HD2      ASN  54  -5.879   9.698   5.783
  215    H    TYR  55           H        TYR  55  -0.072   8.681   5.899
  216    HA   TYR  55           HA       TYR  55   1.768   8.581   8.237
  217   1HB   TYR  55          2HB       TYR  55   1.135   6.194   6.486
  218   2HB   TYR  55          3HB       TYR  55   1.912   6.218   8.063
  219    HD1  TYR  55           HD1      TYR  55  -0.852   4.994   6.544
  220    HD2  TYR  55           HD2      TYR  55   0.213   7.436   9.935
  221    HE1  TYR  55           HE1      TYR  55  -3.056   4.521   7.591
  222    HE2  TYR  55           HE2      TYR  55  -2.015   7.024  10.929
  223    HH   TYR  55           HH       TYR  55  -4.112   6.106  10.599
  224    H    SER  56           H        SER  56   3.963   8.689   7.550
  225    HA   SER  56           HA       SER  56   4.404   9.527   4.767
  226   1HB   SER  56          2HB       SER  56   6.282   9.105   7.124
  227   2HB   SER  56          3HB       SER  56   6.760   9.790   5.552
  228    HG   SER  56           HG       SER  56   6.196  11.378   7.157
  229    H    GLU  57           H        GLU  57   6.461   8.526   3.643
  230    HA   GLU  57           HA       GLU  57   5.818   5.969   2.777
  231   1HB   GLU  57          2HB       GLU  57   8.075   5.867   1.837
  232   2HB   GLU  57          3HB       GLU  57   7.139   7.289   1.399
  233   1HG   GLU  57          2HG       GLU  57   9.080   7.541   3.681
  234   2HG   GLU  57          3HG       GLU  57   9.649   7.462   2.020
  235    H    GLU  58           H        GLU  58   8.113   6.877   5.333
  236    HA   GLU  58           HA       GLU  58   9.217   4.343   5.808
  237   1HB   GLU  58          2HB       GLU  58   9.739   6.768   6.813
  238   2HB   GLU  58          3HB       GLU  58   8.650   6.238   8.099
  239   1HG   GLU  58          2HG       GLU  58  10.195   4.086   8.111
  240   2HG   GLU  58          3HG       GLU  58  11.329   5.122   7.223
  241    H    GLU  59           H        GLU  59   6.107   5.753   6.868
  242    HA   GLU  59           HA       GLU  59   5.608   3.700   8.891
  243   1HB   GLU  59          2HB       GLU  59   4.018   6.035   7.805
  244   2HB   GLU  59          3HB       GLU  59   3.512   5.002   9.166
  245   1HG   GLU  59          2HG       GLU  59   5.417   5.761  10.488
  246   2HG   GLU  59          3HG       GLU  59   6.066   6.684   9.121
  247    H    ILE  60           H        ILE  60   4.341   4.790   5.717
  248    HA   ILE  60           HA       ILE  60   2.340   2.812   5.403
  249    HB   ILE  60           HB       ILE  60   3.979   4.309   3.329
  250   1HG1  ILE  60          2HG1      ILE  60   1.186   4.642   4.508
  251   2HG1  ILE  60          3HG1      ILE  60   2.584   5.639   4.823
  252   1HG2  ILE  60          1HG2      ILE  60   2.116   3.557   1.744
  253   2HG2  ILE  60          2HG2      ILE  60   3.203   2.297   2.273
  254   3HG2  ILE  60          3HG2      ILE  60   1.597   2.426   3.011
  255   1HD1  ILE  60          1HD1      ILE  60   1.122   5.415   2.165
  256   2HD1  ILE  60          2HD1      ILE  60   1.213   6.793   3.248
  257   3HD1  ILE  60          3HD1      ILE  60   2.672   6.273   2.384
  258    H    LEU  61           H        LEU  61   5.812   2.874   4.547
  259    HA   LEU  61           HA       LEU  61   5.936   0.385   3.308
  260   1HB   LEU  61          2HB       LEU  61   7.763   2.031   3.243
  261   2HB   LEU  61          3HB       LEU  61   8.082   1.774   4.965
  262    HG   LEU  61           HG       LEU  61   8.755  -0.537   4.524
  263   1HD1  LEU  61          1HD1      LEU  61   8.983  -1.284   2.095
  264   2HD1  LEU  61          2HD1      LEU  61   7.326  -1.211   2.702
  265   3HD1  LEU  61          3HD1      LEU  61   7.942   0.089   1.660
  266   1HD2  LEU  61          1HD2      LEU  61  10.039   1.407   2.561
  267   2HD2  LEU  61          2HD2      LEU  61  10.444   1.249   4.284
  268   3HD2  LEU  61          3HD2      LEU  61  10.765  -0.096   3.174
  269    H    ASP  62           H        ASP  62   6.377   1.200   6.823
  270    HA   ASP  62           HA       ASP  62   6.732  -1.450   7.664
  271   1HB   ASP  62          2HB       ASP  62   6.999   0.614   9.078
  272   2HB   ASP  62          3HB       ASP  62   5.234   0.665   9.245
  273    H    ILE  63           H        ILE  63   3.628   0.341   7.183
  274    HA   ILE  63           HA       ILE  63   1.967  -1.888   7.951
  275    HB   ILE  63           HB       ILE  63   1.392   0.489   6.111
  276   1HG1  ILE  63          2HG1      ILE  63   0.653   0.131   9.035
  277   2HG1  ILE  63          3HG1      ILE  63   2.059   1.032   8.467
  278   1HG2  ILE  63          1HG2      ILE  63  -0.446  -1.598   7.350
  279   2HG2  ILE  63          2HG2      ILE  63  -1.042  -0.047   6.756
  280   3HG2  ILE  63          3HG2      ILE  63  -0.288  -1.169   5.631
  281   1HD1  ILE  63          1HD1      ILE  63   0.534   2.514   7.115
  282   2HD1  ILE  63          2HD1      ILE  63  -0.834   1.767   7.978
  283   3HD1  ILE  63          3HD1      ILE  63   0.399   2.650   8.876
  284    H    ILE  64           H        ILE  64   3.592  -1.217   4.869
  285    HA   ILE  64           HA       ILE  64   2.121  -3.372   3.522
  286    HB   ILE  64           HB       ILE  64   4.653  -1.855   2.855
  287   1HG1  ILE  64          2HG1      ILE  64   1.967  -1.815   1.438
  288   2HG1  ILE  64          3HG1      ILE  64   2.216  -0.811   2.861
  289   1HG2  ILE  64          1HG2      ILE  64   4.895  -3.998   1.773
  290   2HG2  ILE  64          2HG2      ILE  64   3.188  -4.017   1.298
  291   3HG2  ILE  64          3HG2      ILE  64   4.313  -2.865   0.548
  292   1HD1  ILE  64          1HD1      ILE  64   4.193   0.231   1.846
  293   2HD1  ILE  64          2HD1      ILE  64   3.888  -0.642   0.332
  294   3HD1  ILE  64          3HD1      ILE  64   2.706   0.536   0.949
  295    H    LEU  65           H        LEU  65   5.312  -3.041   5.058
  296    HA   LEU  65           HA       LEU  65   6.232  -5.665   4.570
  297   1HB   LEU  65          2HB       LEU  65   6.953  -3.585   6.659
  298   2HB   LEU  65          3HB       LEU  65   7.814  -5.106   6.493
  299    HG   LEU  65           HG       LEU  65   7.613  -2.961   4.328
  300   1HD1  LEU  65          1HD1      LEU  65   8.972  -2.272   6.274
  301   2HD1  LEU  65          2HD1      LEU  65   9.916  -3.771   6.154
  302   3HD1  LEU  65          3HD1      LEU  65   9.995  -2.566   4.856
  303   1HD2  LEU  65          1HD2      LEU  65   9.462  -4.259   3.247
  304   2HD2  LEU  65          2HD2      LEU  65   9.153  -5.580   4.395
  305   3HD2  LEU  65          3HD2      LEU  65   7.899  -5.073   3.227
  306    H    ASN  66           H        ASN  66   3.942  -4.572   7.105
  307    HA   ASN  66           HA       ASN  66   4.350  -7.226   8.487
  308   1HB   ASN  66          2HB       ASN  66   3.882  -4.590   9.908
  309   2HB   ASN  66          3HB       ASN  66   4.203  -6.171  10.622
  310   1HD2  ASN  66          1HD2      ASN  66   5.554  -3.469   8.888
  311   2HD2  ASN  66          2HD2      ASN  66   7.095  -3.514   9.648
  312    H    GLY  67           H        GLY  67   2.509  -5.910   6.605
  313   1HA   GLY  67          1HA       GLY  67   0.269  -5.195   6.277
  314   2HA   GLY  67          2HA       GLY  67  -0.135  -6.706   6.942
  315    H    GLN  68           H        GLN  68  -1.902  -6.059   8.399
  316    HA   GLN  68           HA       GLN  68  -1.757  -4.707  10.787
  317   1HB   GLN  68          2HB       GLN  68  -1.122  -2.597   9.785
  318   2HB   GLN  68          3HB       GLN  68  -2.333  -2.774   8.500
  319   1HG   GLN  68          2HG       GLN  68  -4.104  -2.487  10.253
  320   2HG   GLN  68          3HG       GLN  68  -2.839  -2.237  11.459
  321   1HE2  GLN  68          1HE2      GLN  68  -5.087  -0.599   9.837
  322   2HE2  GLN  68          2HE2      GLN  68  -4.283   0.903   9.425
  323    H    GLY  69           H        GLY  69  -3.951  -4.809  11.818
  324   1HA   GLY  69          1HA       GLY  69  -5.723  -6.177  12.049
  325   2HA   GLY  69          2HA       GLY  69  -6.380  -4.885  11.060
  326    H    GLY  70           H        GLY  70  -7.356  -5.508   9.168
  327   1HA   GLY  70          1HA       GLY  70  -7.705  -8.283   8.531
  328   2HA   GLY  70          2HA       GLY  70  -8.191  -6.916   7.523
  329    H    MET  71           H        MET  71  -5.380  -5.902   7.413
  330    HA   MET  71           HA       MET  71  -4.645  -7.134   4.983
  331   1HB   MET  71          1HB       MET  71  -4.204  -4.720   6.043
  332   2HB   MET  71          2HB       MET  71  -2.696  -5.456   6.573
  333   1HG   MET  71          1HG       MET  71  -2.044  -5.968   4.342
  334   2HG   MET  71          2HG       MET  71  -3.632  -5.561   3.731
  335   1HE   MET  71          1HE       MET  71  -0.143  -4.467   4.204
  336   2HE   MET  71          2HE       MET  71  -0.898  -4.528   2.606
  337   3HE   MET  71          3HE       MET  71  -0.275  -2.977   3.246
  338    HA   PRO  72           HA       PRO  72  -2.570 -10.650   6.848
  339   1HB   PRO  72          2HB       PRO  72  -1.125 -11.545   4.613
  340   2HB   PRO  72          3HB       PRO  72  -2.859 -11.884   4.936
  341   1HG   PRO  72          2HG       PRO  72  -1.605  -9.851   3.140
  342   2HG   PRO  72          3HG       PRO  72  -3.084 -10.794   2.855
  343   1HD   PRO  72          2HD       PRO  72  -3.135  -8.173   3.667
  344   2HD   PRO  72          3HD       PRO  72  -4.383  -9.330   4.182
  345    H    GLY  73           H        GLY  73  -0.483  -8.893   4.545
  346   1HA   GLY  73          1HA       GLY  73   1.163  -7.412   5.318
  347   2HA   GLY  73          2HA       GLY  73   1.553  -8.487   6.700
  348    H    GLY  74           H        GLY  74   3.237  -7.187   4.761
  349   1HA   GLY  74          1HA       GLY  74   5.220  -7.749   3.660
  350   2HA   GLY  74          2HA       GLY  74   4.977  -9.443   4.124
  351    H    ILE  75           H        ILE  75   2.418  -7.810   2.503
  352    HA   ILE  75           HA       ILE  75   2.068  -9.556   0.379
  353    HB   ILE  75           HB       ILE  75   1.083  -6.905   1.346
  354   1HG1  ILE  75          2HG1      ILE  75  -0.560  -9.008  -0.020
  355   2HG1  ILE  75          3HG1      ILE  75   0.135  -9.334   1.577
  356   1HG2  ILE  75          1HG2      ILE  75  -0.192  -6.492  -0.826
  357   2HG2  ILE  75          2HG2      ILE  75   1.532  -6.267  -1.068
  358   3HG2  ILE  75          3HG2      ILE  75   0.746  -7.759  -1.613
  359   1HD1  ILE  75          1HD1      ILE  75  -2.198  -8.249   1.533
  360   2HD1  ILE  75          2HD1      ILE  75  -0.965  -7.512   2.595
  361   3HD1  ILE  75          3HD1      ILE  75  -1.376  -6.759   1.054
  362    H    ALA  76           H        ALA  76   3.657  -6.348   0.187
  363    HA   ALA  76           HA       ALA  76   5.409  -7.369  -2.010
  364   1HB   ALA  76          1HB       ALA  76   5.870  -4.940  -2.397
  365   2HB   ALA  76          2HB       ALA  76   4.172  -5.361  -2.668
  366   3HB   ALA  76          3HB       ALA  76   4.657  -4.533  -1.172
  367    H    LYS  77           H        LYS  77   7.720  -6.756  -1.704
  368    HA   LYS  77           HA       LYS  77   8.583  -5.743   0.884
  369   1HB   LYS  77          2HB       LYS  77   9.203  -8.596  -0.019
  370   2HB   LYS  77          3HB       LYS  77  10.307  -7.672   0.997
  371   1HG   LYS  77          2HG       LYS  77   8.165  -7.229   2.472
  372   2HG   LYS  77          3HG       LYS  77   7.537  -8.676   1.687
  373   1HD   LYS  77          2HD       LYS  77   9.395 -10.004   2.547
  374   2HD   LYS  77          3HD       LYS  77  10.289  -8.544   3.013
  375   1HE   LYS  77          2HE       LYS  77   8.257  -8.033   4.592
  376   2HE   LYS  77          3HE       LYS  77   7.840  -9.735   4.358
  377   1HZ   LYS  77          1HZ       LYS  77  10.380  -8.662   5.421
  378   2HZ   LYS  77          2HZ       LYS  77   9.193  -9.378   6.295
  379   3HZ   LYS  77          3HZ       LYS  77  10.060 -10.265   5.212
  380    H    GLY  78           H        GLY  78  11.097  -5.589   0.818
  381   1HA   GLY  78          1HA       GLY  78  12.906  -4.579  -0.155
  382   2HA   GLY  78          2HA       GLY  78  12.572  -5.641  -1.535
  383    H    ALA  79           H        ALA  79  13.286  -4.003  -2.972
  384    HA   ALA  79           HA       ALA  79  12.504  -1.407  -3.246
  385   1HB   ALA  79          1HB       ALA  79  14.153  -2.394  -4.698
  386   2HB   ALA  79          2HB       ALA  79  12.933  -3.448  -5.457
  387   3HB   ALA  79          3HB       ALA  79  12.863  -1.688  -5.690
  388    H    GLU  80           H        GLU  80  10.624  -4.264  -4.085
  389    HA   GLU  80           HA       GLU  80   8.432  -3.207  -5.500
  390   1HB   GLU  80          2HB       GLU  80   9.206  -5.669  -4.522
  391   2HB   GLU  80          3HB       GLU  80   7.787  -5.313  -3.532
  392   1HG   GLU  80          2HG       GLU  80   6.492  -5.026  -5.560
  393   2HG   GLU  80          3HG       GLU  80   7.916  -5.268  -6.566
  394    H    ALA  81           H        ALA  81   8.643  -3.804  -1.993
  395    HA   ALA  81           HA       ALA  81   6.263  -2.305  -1.379
  396   1HB   ALA  81          1HB       ALA  81   6.926  -2.564   0.949
  397   2HB   ALA  81          2HB       ALA  81   7.089  -4.077   0.070
  398   3HB   ALA  81          3HB       ALA  81   8.543  -3.130   0.459
  399    H    GLU  82           H        GLU  82   9.761  -1.464  -1.168
  400    HA   GLU  82           HA       GLU  82   9.494   1.047   0.075
  401   1HB   GLU  82          2HB       GLU  82  11.495   0.034  -1.971
  402   2HB   GLU  82          3HB       GLU  82  11.689   1.553  -1.098
  403   1HG   GLU  82          2HG       GLU  82  11.811   0.448   1.025
  404   2HG   GLU  82          3HG       GLU  82  11.349  -1.117   0.344
  405    H    ALA  83           H        ALA  83   9.552   0.319  -3.456
  406    HA   ALA  83           HA       ALA  83   9.126   2.982  -4.348
  407   1HB   ALA  83          1HB       ALA  83   9.888   1.287  -5.881
  408   2HB   ALA  83          2HB       ALA  83   8.441   0.290  -5.591
  409   3HB   ALA  83          3HB       ALA  83   8.303   1.837  -6.443
  410    H    VAL  84           H        VAL  84   6.765   0.317  -3.705
  411    HA   VAL  84           HA       VAL  84   4.405   1.708  -4.328
  412    HB   VAL  84           HB       VAL  84   4.940  -0.337  -2.141
  413   1HG1  VAL  84          1HG1      VAL  84   2.419  -0.680  -2.410
  414   2HG1  VAL  84          2HG1      VAL  84   2.980   0.704  -1.446
  415   3HG1  VAL  84          3HG1      VAL  84   2.396   0.970  -3.082
  416   1HG2  VAL  84          1HG2      VAL  84   4.904  -0.658  -4.960
  417   2HG2  VAL  84          2HG2      VAL  84   4.865  -1.892  -3.684
  418   3HG2  VAL  84          3HG2      VAL  84   3.364  -1.300  -4.361
  419    H    ALA  85           H        ALA  85   5.891   1.438  -1.094
  420    HA   ALA  85           HA       ALA  85   4.220   3.199   0.276
  421   1HB   ALA  85          1HB       ALA  85   5.866   1.664   1.323
  422   2HB   ALA  85          2HB       ALA  85   7.188   2.716   0.788
  423   3HB   ALA  85          3HB       ALA  85   5.986   3.321   1.948
  424    H    ALA  86           H        ALA  86   7.339   3.957  -1.332
  425    HA   ALA  86           HA       ALA  86   7.436   6.714  -0.640
  426   1HB   ALA  86          1HB       ALA  86   9.080   6.905  -2.418
  427   2HB   ALA  86          2HB       ALA  86   9.352   5.429  -1.471
  428   3HB   ALA  86          3HB       ALA  86   8.597   5.324  -3.078
  429    H    TRP  87           H        TRP  87   6.058   5.062  -3.493
  430    HA   TRP  87           HA       TRP  87   5.153   7.421  -4.829
  431   1HB   TRP  87          2HB       TRP  87   5.458   5.271  -5.879
  432   2HB   TRP  87          3HB       TRP  87   4.234   4.538  -4.844
  433    HD1  TRP  87           HD1      TRP  87   4.388   7.297  -7.565
  434    HE1  TRP  87           HE1      TRP  87   2.354   6.952  -9.128
  435    HE3  TRP  87           HE3      TRP  87   2.103   3.376  -5.204
  436    HZ2  TRP  87           HZ2      TRP  87  -0.111   5.490  -9.115
  437    HZ3  TRP  87           HZ3      TRP  87  -0.213   2.724  -5.866
  438    HH2  TRP  87           HH2      TRP  87  -1.259   3.672  -7.851
  439    H    LEU  88           H        LEU  88   3.475   5.154  -2.577
  440    HA   LEU  88           HA       LEU  88   1.013   6.599  -2.469
  441   1HB   LEU  88          2HB       LEU  88   2.352   4.606  -0.620
  442   2HB   LEU  88          3HB       LEU  88   0.869   5.417  -0.162
  443    HG   LEU  88           HG       LEU  88   1.042   3.031  -1.549
  444   1HD1  LEU  88          1HD1      LEU  88  -1.433   3.261  -1.780
  445   2HD1  LEU  88          2HD1      LEU  88  -0.888   3.726  -0.146
  446   3HD1  LEU  88          3HD1      LEU  88  -1.312   4.973  -1.350
  447   1HD2  LEU  88          1HD2      LEU  88  -0.178   4.998  -3.490
  448   2HD2  LEU  88          2HD2      LEU  88   1.484   4.378  -3.555
  449   3HD2  LEU  88          3HD2      LEU  88   0.111   3.249  -3.643
  450    H    ALA  89           H        ALA  89   4.041   7.092  -0.662
  451    HA   ALA  89           HA       ALA  89   3.006   9.077   1.111
  452   1HB   ALA  89          1HB       ALA  89   5.804   8.691   0.047
  453   2HB   ALA  89          2HB       ALA  89   5.336   9.811   1.334
  454   3HB   ALA  89          3HB       ALA  89   5.079   8.069   1.551
  455    H    GLU  90           H        GLU  90   4.375   9.275  -2.193
  456    HA   GLU  90           HA       GLU  90   4.152  12.096  -2.460
  457   1HB   GLU  90          2HB       GLU  90   5.283  10.291  -4.021
  458   2HB   GLU  90          3HB       GLU  90   3.692  10.234  -4.796
  459   1HG   GLU  90          2HG       GLU  90   3.857  12.770  -5.051
  460   2HG   GLU  90          3HG       GLU  90   5.527  12.643  -4.465
  461    H    LYS  91           H        LYS  91   1.765   9.461  -2.908
  462    HA   LYS  91           HA       LYS  91  -0.250  11.228  -4.034
  463   1HB   LYS  91          2HB       LYS  91  -0.645   8.478  -2.807
  464   2HB   LYS  91          3HB       LYS  91  -1.784   9.373  -3.821
  465   1HG   LYS  91          2HG       LYS  91   0.054   9.360  -5.645
  466   2HG   LYS  91          3HG       LYS  91   0.901   8.214  -4.622
  467   1HD   LYS  91          2HD       LYS  91  -0.230   6.669  -5.863
  468   2HD   LYS  91          3HD       LYS  91  -1.389   6.912  -4.565
  469   1HE   LYS  91          2HE       LYS  91  -2.642   6.968  -6.593
  470   2HE   LYS  91          3HE       LYS  91  -2.566   8.638  -6.022
  471   1HZ   LYS  91          1HZ       LYS  91  -0.783   9.011  -7.618
  472   2HZ   LYS  91          2HZ       LYS  91  -0.840   7.445  -8.114
  473   3HZ   LYS  91          3HZ       LYS  91  -2.122   8.439  -8.381
  474    H    LYS  92           H        LYS  92  -1.958  12.341  -3.039
  475    HA   LYS  92           HA       LYS  92  -2.690  12.004  -0.302
  476   1HB   LYS  92          2HB       LYS  92  -1.153  14.473  -1.271
  477   2HB   LYS  92          3HB       LYS  92  -2.268  14.488   0.107
  478   1HG   LYS  92          2HG       LYS  92  -0.933  12.598   1.102
  479   2HG   LYS  92          3HG       LYS  92   0.310  12.861  -0.114
  480   1HD   LYS  92          2HD       LYS  92  -0.682  15.086   1.720
  481   2HD   LYS  92          3HD       LYS  92   0.618  13.966   2.180
  482   1HE   LYS  92          2HE       LYS  92   1.913  14.589   0.160
  483   2HE   LYS  92          3HE       LYS  92   0.658  15.754  -0.300
  484   1HZ   LYS  92          1HZ       LYS  92   1.116  16.958   1.713
  485   2HZ   LYS  92          2HZ       LYS  92   2.231  15.840   2.191
  486   3HZ   LYS  92          3HZ       LYS  92   2.511  16.763   0.859
  487    HHA  HEC  93           HHA      HEC  93  -5.050  -0.456   6.345
  488    HHB  HEC  93           HHB      HEC  93  -0.584   0.714   1.915
  489    HHC  HEC  93           HHC      HEC  93  -1.891  -5.045  -0.733
  490    HHD  HEC  93           HHD      HEC  93  -7.027  -5.613   3.035
  491   1HMA  HEC  93          1HMA      HEC  93  -0.859   2.585   3.133
  492   2HMA  HEC  93          2HMA      HEC  93  -1.566   3.141   4.636
  493   3HMA  HEC  93          3HMA      HEC  93  -0.199   2.008   4.686
  494   1HAA  HEC  93          1HAA      HEC  93  -2.593   2.439   6.472
  495   2HAA  HEC  93          2HAA      HEC  93  -3.323   1.023   7.180
  496   1HBA  HEC  93          1HBA      HEC  93  -5.240   2.040   5.298
  497   2HBA  HEC  93          2HBA      HEC  93  -4.602   3.439   6.158
  498   1HMB  HEC  93          1HMB      HEC  93   1.399  -0.554  -0.486
  499   2HMB  HEC  93          2HMB      HEC  93   0.092  -0.009  -1.565
  500   3HMB  HEC  93          3HMB      HEC  93   0.303   0.734  -0.005
  501    HAB  HEC  93           HAB      HEC  93  -0.300  -4.207  -1.794
  502   1HBB  HEC  93          1HBB      HEC  93   1.681  -4.109  -0.402
  503   2HBB  HEC  93          2HBB      HEC  93   2.055  -3.943  -2.131
  504   3HBB  HEC  93          3HBB      HEC  93   2.111  -2.532  -1.071
  505   1HMC  HEC  93          1HMC      HEC  93  -2.678  -7.201  -0.908
  506   2HMC  HEC  93          2HMC      HEC  93  -4.262  -7.963  -0.906
  507   3HMC  HEC  93          3HMC      HEC  93  -4.017  -6.470  -1.825
  508    HAC  HEC  93           HAC      HEC  93  -7.219  -7.056   1.497
  509   1HBC  HEC  93          1HBC      HEC  93  -5.670  -8.651   2.437
  510   2HBC  HEC  93          2HBC      HEC  93  -6.730  -9.414   1.242
  511   3HBC  HEC  93          3HBC      HEC  93  -5.040  -9.064   0.831
  512   1HMD  HEC  93          1HMD      HEC  93  -9.108  -4.029   5.177
  513   2HMD  HEC  93          2HMD      HEC  93  -8.218  -5.524   4.843
  514   3HMD  HEC  93          3HMD      HEC  93  -8.147  -4.797   6.448
  515   1HAD  HEC  93          1HAD      HEC  93  -8.148  -2.436   7.134
  516   2HAD  HEC  93          2HAD      HEC  93  -6.990  -1.117   7.191
  517   1HBD  HEC  93          1HBD      HEC  93  -5.278  -2.621   8.133
  518   2HBD  HEC  93          2HBD      HEC  93  -6.398  -3.982   7.996
  Start of MODEL   10
    1   1H    VAL  22          H1        VAL  22  12.597  -0.108 -10.497
    2   2H    VAL  22          H2        VAL  22  12.467   0.257  -8.905
    3   3H    VAL  22          H3        VAL  22  13.333  -1.093  -9.375
    4    HA   VAL  22           HA       VAL  22  11.217  -1.965 -10.283
    5    HB   VAL  22           HB       VAL  22  11.886  -1.552  -7.401
    6   1HG1  VAL  22          1HG1      VAL  22   9.080  -2.481  -8.125
    7   2HG1  VAL  22          2HG1      VAL  22   9.903  -2.591  -6.559
    8   3HG1  VAL  22          3HG1      VAL  22   9.501  -1.012  -7.201
    9   1HG2  VAL  22          1HG2      VAL  22  11.546  -3.990  -7.318
   10   2HG2  VAL  22          2HG2      VAL  22  10.924  -3.982  -8.973
   11   3HG2  VAL  22          3HG2      VAL  22  12.628  -3.564  -8.668
   12    H    ASP  23           H        ASP  23   9.195  -1.390 -10.969
   13    HA   ASP  23           HA       ASP  23   8.323   1.305 -10.846
   14   1HB   ASP  23          2HB       ASP  23   7.027  -1.317 -11.695
   15   2HB   ASP  23          3HB       ASP  23   6.313   0.281 -11.993
   16    H    ALA  24           H        ALA  24   6.589   2.198  -9.671
   17    HA   ALA  24           HA       ALA  24   5.827   0.756  -7.187
   18   1HB   ALA  24          1HB       ALA  24   5.366   3.622  -8.129
   19   2HB   ALA  24          2HB       ALA  24   4.836   2.933  -6.582
   20   3HB   ALA  24          3HB       ALA  24   6.569   3.060  -6.954
   21    H    GLU  25           H        GLU  25   4.074   2.739  -9.634
   22    HA   GLU  25           HA       GLU  25   1.518   1.940  -9.042
   23   1HB   GLU  25          2HB       GLU  25   1.085   2.408 -11.546
   24   2HB   GLU  25          3HB       GLU  25   1.627   3.717 -10.500
   25   1HG   GLU  25          2HG       GLU  25   3.825   3.728 -11.368
   26   2HG   GLU  25          3HG       GLU  25   3.625   2.145 -12.136
   27    H    ALA  26           H        ALA  26   3.728   0.294 -11.345
   28    HA   ALA  26           HA       ALA  26   1.978  -1.712 -12.227
   29   1HB   ALA  26          1HB       ALA  26   4.951  -2.017 -11.708
   30   2HB   ALA  26          2HB       ALA  26   3.968  -2.962 -12.836
   31   3HB   ALA  26          3HB       ALA  26   4.262  -1.238 -13.154
   32    H    VAL  27           H        VAL  27   3.994  -1.600  -9.258
   33    HA   VAL  27           HA       VAL  27   3.448  -4.343  -8.479
   34    HB   VAL  27           HB       VAL  27   4.482  -1.902  -6.975
   35   1HG1  VAL  27          1HG1      VAL  27   5.017  -3.361  -5.140
   36   2HG1  VAL  27          2HG1      VAL  27   3.279  -3.456  -5.391
   37   3HG1  VAL  27          3HG1      VAL  27   4.324  -4.756  -5.993
   38   1HG2  VAL  27          1HG2      VAL  27   5.944  -2.973  -8.745
   39   2HG2  VAL  27          2HG2      VAL  27   6.611  -3.036  -7.102
   40   3HG2  VAL  27          3HG2      VAL  27   5.859  -4.479  -7.833
   41    H    VAL  28           H        VAL  28   2.193  -1.119  -7.483
   42    HA   VAL  28           HA       VAL  28   0.243  -2.010  -5.693
   43    HB   VAL  28           HB       VAL  28   0.093   0.348  -7.619
   44   1HG1  VAL  28          1HG1      VAL  28  -1.262   0.377  -4.944
   45   2HG1  VAL  28          2HG1      VAL  28  -1.584   1.286  -6.446
   46   3HG1  VAL  28          3HG1      VAL  28  -2.098  -0.385  -6.297
   47   1HG2  VAL  28          1HG2      VAL  28   1.966   0.856  -6.357
   48   2HG2  VAL  28          2HG2      VAL  28   0.746   1.465  -5.251
   49   3HG2  VAL  28          3HG2      VAL  28   1.430  -0.136  -4.976
   50    H    GLN  29           H        GLN  29  -0.083  -1.508  -9.159
   51    HA   GLN  29           HA       GLN  29  -2.690  -2.288  -9.627
   52   1HB   GLN  29          2HB       GLN  29  -0.191  -2.444 -11.291
   53   2HB   GLN  29          3HB       GLN  29  -1.743  -2.999 -11.910
   54   1HG   GLN  29          2HG       GLN  29  -1.387  -0.197 -10.737
   55   2HG   GLN  29          3HG       GLN  29  -1.044  -0.573 -12.426
   56   1HE2  GLN  29          1HE2      GLN  29  -3.585   0.138 -10.130
   57   2HE2  GLN  29          2HE2      GLN  29  -4.893  -0.051 -11.271
   58    H    GLN  30           H        GLN  30   0.022  -4.456  -8.806
   59    HA   GLN  30           HA       GLN  30  -1.982  -6.628  -8.769
   60   1HB   GLN  30          2HB       GLN  30   0.728  -6.886 -10.150
   61   2HB   GLN  30          3HB       GLN  30  -0.305  -8.244  -9.658
   62   1HG   GLN  30          2HG       GLN  30  -2.183  -6.946 -10.960
   63   2HG   GLN  30          3HG       GLN  30  -0.808  -6.177 -11.772
   64   1HE2  GLN  30          1HE2      GLN  30  -2.159  -9.372 -10.771
   65   2HE2  GLN  30          2HE2      GLN  30  -1.626 -10.246 -12.196
   66    H    LYS  31           H        LYS  31  -1.413  -5.267  -6.641
   67    HA   LYS  31           HA       LYS  31  -0.813  -7.477  -4.937
   68   1HB   LYS  31          2HB       LYS  31   1.333  -5.422  -5.277
   69   2HB   LYS  31          3HB       LYS  31   0.975  -5.887  -3.631
   70   1HG   LYS  31          2HG       LYS  31   2.136  -7.781  -3.776
   71   2HG   LYS  31          3HG       LYS  31   1.210  -8.314  -5.176
   72   1HD   LYS  31          2HD       LYS  31   2.706  -6.693  -6.558
   73   2HD   LYS  31          3HD       LYS  31   3.753  -6.652  -5.126
   74   1HE   LYS  31          2HE       LYS  31   2.896  -9.222  -6.537
   75   2HE   LYS  31          3HE       LYS  31   4.334  -8.310  -6.985
   76   1HZ   LYS  31          1HZ       LYS  31   3.928  -9.373  -4.258
   77   2HZ   LYS  31          2HZ       LYS  31   4.864 -10.063  -5.443
   78   3HZ   LYS  31          3HZ       LYS  31   5.252  -8.608  -4.837
   79    H    CYS  32           H        CYS  32  -1.339  -3.921  -5.202
   80    HA   CYS  32           HA       CYS  32  -2.546  -3.991  -2.493
   81   1HB   CYS  32          2HB       CYS  32  -2.085  -1.573  -4.187
   82   2HB   CYS  32          3HB       CYS  32  -2.320  -1.689  -2.438
   83    H    ILE  33           H        ILE  33  -3.337  -2.944  -5.800
   84    HA   ILE  33           HA       ILE  33  -5.941  -2.106  -5.186
   85    HB   ILE  33           HB       ILE  33  -6.449  -2.275  -7.549
   86   1HG1  ILE  33          2HG1      ILE  33  -4.497  -3.033  -9.057
   87   2HG1  ILE  33          3HG1      ILE  33  -4.076  -4.113  -7.710
   88   1HG2  ILE  33          1HG2      ILE  33  -4.796  -0.515  -6.557
   89   2HG2  ILE  33          2HG2      ILE  33  -3.554  -1.460  -7.402
   90   3HG2  ILE  33          3HG2      ILE  33  -4.843  -0.705  -8.320
   91   1HD1  ILE  33          1HD1      ILE  33  -5.388  -5.327  -9.259
   92   2HD1  ILE  33          2HD1      ILE  33  -6.612  -4.890  -8.050
   93   3HD1  ILE  33          3HD1      ILE  33  -6.474  -3.961  -9.555
   94    H    SER  34           H        SER  34  -4.748  -5.374  -5.682
   95    HA   SER  34           HA       SER  34  -6.846  -6.996  -6.104
   96   1HB   SER  34          2HB       SER  34  -4.840  -7.217  -3.821
   97   2HB   SER  34          3HB       SER  34  -5.700  -8.563  -4.589
   98    HG   SER  34           HG       SER  34  -4.606  -8.064  -6.517
   99    H    CYS  35           H        CYS  35  -6.321  -5.122  -3.104
  100    HA   CYS  35           HA       CYS  35  -9.099  -5.873  -2.224
  101   1HB   CYS  35          2HB       CYS  35  -6.815  -4.985  -0.483
  102   2HB   CYS  35          3HB       CYS  35  -8.399  -5.582   0.043
  103    H    HIS  36           HN       HIS  36  -6.620  -3.273  -2.461
  104    HA   HIS  36           HA       HIS  36  -8.404  -1.280  -1.351
  105   1HB   HIS  36          2HB       HIS  36  -5.651  -1.239  -2.640
  106   2HB   HIS  36          3HB       HIS  36  -6.470   0.209  -2.087
  107    HD1  HIS  36           HD1      HIS  36  -7.347   0.009   0.626
  108    HD2  HIS  36           HD2      HIS  36  -4.204  -2.422  -0.730
  109    HE1  HIS  36           1HE      HIS  36  -6.125  -0.776   2.701
  110    H    GLY  37           H        GLY  37  -8.357  -2.667  -4.444
  111   1HA   GLY  37          1HA       GLY  37  -9.830  -2.202  -6.143
  112   2HA   GLY  37          2HA       GLY  37 -10.181  -0.593  -5.479
  113    H    GLY  38           H        GLY  38  -9.483  -1.269  -8.236
  114   1HA   GLY  38          1HA       GLY  38  -6.960  -0.915  -9.236
  115   2HA   GLY  38          2HA       GLY  38  -8.401  -0.176  -9.921
  116    H    ASP  39           H        ASP  39  -9.087   1.576  -7.911
  117    HA   ASP  39           HA       ASP  39  -7.245   3.754  -8.556
  118   1HB   ASP  39          2HB       ASP  39 -10.081   3.718  -7.460
  119   2HB   ASP  39          3HB       ASP  39  -9.205   5.129  -8.081
  120    H    LEU  40           H        LEU  40  -7.527   1.653  -5.807
  121    HA   LEU  40           HA       LEU  40  -6.803   1.811  -3.786
  122   1HB   LEU  40          2HB       LEU  40  -5.624   4.561  -4.333
  123   2HB   LEU  40          3HB       LEU  40  -5.228   3.416  -3.077
  124    HG   LEU  40           HG       LEU  40  -4.843   1.904  -5.432
  125   1HD1  LEU  40          1HD1      LEU  40  -3.440   3.165  -6.892
  126   2HD1  LEU  40          2HD1      LEU  40  -4.921   4.108  -6.749
  127   3HD1  LEU  40          3HD1      LEU  40  -3.474   4.587  -5.838
  128   1HD2  LEU  40          1HD2      LEU  40  -3.024   3.366  -3.513
  129   2HD2  LEU  40          2HD2      LEU  40  -3.388   1.623  -3.641
  130   3HD2  LEU  40          3HD2      LEU  40  -2.363   2.436  -4.836
  131    H    THR  41           H        THR  41  -9.376   2.969  -4.706
  132    HA   THR  41           HA       THR  41 -10.129   5.179  -2.949
  133    HB   THR  41           HB       THR  41 -12.370   4.596  -4.158
  134    HG1  THR  41           1HG      THR  41 -11.915   2.512  -4.803
  135   1HG2  THR  41          1HG2      THR  41  -9.895   5.396  -5.751
  136   2HG2  THR  41          2HG2      THR  41 -11.567   5.567  -6.320
  137   3HG2  THR  41          3HG2      THR  41 -11.010   6.472  -4.899
  138    H    GLY  42           H        GLY  42  -9.781   1.814  -2.724
  139   1HA   GLY  42          1HA       GLY  42 -10.209   0.540  -0.870
  140   2HA   GLY  42          2HA       GLY  42 -11.548   1.585  -0.348
  141    H    ALA  43           H        ALA  43 -11.564  -1.219  -0.822
  142    HA   ALA  43           HA       ALA  43 -13.937  -1.465  -2.501
  143   1HB   ALA  43          1HB       ALA  43 -11.379  -2.847  -3.446
  144   2HB   ALA  43          2HB       ALA  43 -13.016  -3.262  -3.986
  145   3HB   ALA  43          3HB       ALA  43 -12.352  -1.653  -4.314
  146    H    SER  44           H        SER  44 -11.448  -3.854  -1.595
  147    HA   SER  44           HA       SER  44 -13.385  -5.228   0.206
  148   1HB   SER  44          2HB       SER  44 -11.835  -6.311  -1.741
  149   2HB   SER  44          3HB       SER  44 -10.693  -6.390  -0.385
  150    HG   SER  44           HG       SER  44 -12.030  -8.245  -0.512
  151    H    ALA  45           H        ALA  45 -11.308  -2.727   0.434
  152    HA   ALA  45           HA       ALA  45 -10.454  -3.121   3.178
  153   1HB   ALA  45          1HB       ALA  45  -8.720  -4.310   1.881
  154   2HB   ALA  45          2HB       ALA  45  -8.533  -2.915   0.794
  155   3HB   ALA  45          3HB       ALA  45  -8.029  -2.803   2.479
  156    HA   PRO  46           HA       PRO  46 -11.189   1.190   2.981
  157   1HB   PRO  46          2HB       PRO  46  -9.294   2.401   4.601
  158   2HB   PRO  46          3HB       PRO  46 -10.625   1.377   5.207
  159   1HG   PRO  46          2HG       PRO  46  -7.766   0.568   4.656
  160   2HG   PRO  46          3HG       PRO  46  -8.749   0.230   6.107
  161   1HD   PRO  46          2HD       PRO  46  -8.450  -1.594   4.154
  162   2HD   PRO  46          3HD       PRO  46 -10.025  -1.418   4.968
  163    H    ALA  47           H        ALA  47 -10.389   3.385   2.343
  164    HA   ALA  47           HA       ALA  47  -8.928   3.141  -0.138
  165   1HB   ALA  47          1HB       ALA  47  -9.890   5.662   1.271
  166   2HB   ALA  47          2HB       ALA  47  -9.566   5.428  -0.465
  167   3HB   ALA  47          3HB       ALA  47 -10.935   4.601   0.322
  168    H    ILE  48           H        ILE  48  -6.766   3.214  -0.334
  169    HA   ILE  48           HA       ILE  48  -5.144   4.611   1.756
  170    HB   ILE  48           HB       ILE  48  -3.248   3.341   1.025
  171   1HG1  ILE  48          2HG1      ILE  48  -5.056   1.775  -0.848
  172   2HG1  ILE  48          3HG1      ILE  48  -3.903   3.030  -1.339
  173   1HG2  ILE  48          1HG2      ILE  48  -5.690   1.687   1.747
  174   2HG2  ILE  48          2HG2      ILE  48  -4.014   1.145   1.915
  175   3HG2  ILE  48          3HG2      ILE  48  -4.591   2.521   2.855
  176   1HD1  ILE  48          1HD1      ILE  48  -2.821   0.900  -1.639
  177   2HD1  ILE  48          2HD1      ILE  48  -2.043   1.751  -0.299
  178   3HD1  ILE  48          3HD1      ILE  48  -3.181   0.417   0.011
  179    H    ASP  49           H        ASP  49  -6.536   5.224  -1.224
  180    HA   ASP  49           HA       ASP  49  -4.755   6.487  -2.785
  181   1HB   ASP  49          2HB       ASP  49  -7.092   6.440  -3.309
  182   2HB   ASP  49          3HB       ASP  49  -7.502   7.410  -1.882
  183    H    LYS  50           H        LYS  50  -5.686   7.733   0.431
  184    HA   LYS  50           HA       LYS  50  -3.871  10.067   0.068
  185   1HB   LYS  50          2HB       LYS  50  -5.207  11.103   1.907
  186   2HB   LYS  50          3HB       LYS  50  -6.022  10.968   0.373
  187   1HG   LYS  50          2HG       LYS  50  -6.456   8.791   2.471
  188   2HG   LYS  50          3HG       LYS  50  -7.178  10.381   2.671
  189   1HD   LYS  50          2HD       LYS  50  -7.897   9.935   0.079
  190   2HD   LYS  50          3HD       LYS  50  -7.838   8.265   0.642
  191   1HE   LYS  50          2HE       LYS  50  -9.507   8.682   2.342
  192   2HE   LYS  50          3HE       LYS  50  -9.350  10.439   2.172
  193   1HZ   LYS  50          1HZ       LYS  50 -11.305   9.670   1.094
  194   2HZ   LYS  50          2HZ       LYS  50 -10.265  10.307  -0.006
  195   3HZ   LYS  50          3HZ       LYS  50 -10.447   8.675   0.100
  196    H    ALA  51           H        ALA  51  -3.246   7.216   0.865
  197    HA   ALA  51           HA       ALA  51  -2.761   7.122   3.658
  198   1HB   ALA  51          1HB       ALA  51  -2.657   5.132   2.290
  199   2HB   ALA  51          2HB       ALA  51  -1.251   5.772   1.398
  200   3HB   ALA  51          3HB       ALA  51  -1.121   5.379   3.128
  201    H    GLY  52           H        GLY  52  -0.761   8.379   0.910
  202   1HA   GLY  52          1HA       GLY  52   1.605   8.895   2.195
  203   2HA   GLY  52          2HA       GLY  52   0.917   9.900   0.900
  204    H    ALA  53           H        ALA  53  -1.405  10.733   2.606
  205    HA   ALA  53           HA       ALA  53   0.020  12.926   4.043
  206   1HB   ALA  53          1HB       ALA  53  -1.728  13.699   2.640
  207   2HB   ALA  53          2HB       ALA  53  -2.893  12.515   3.293
  208   3HB   ALA  53          3HB       ALA  53  -2.288  13.844   4.308
  209    H    ASN  54           H        ASN  54  -2.159  10.161   4.614
  210    HA   ASN  54           HA       ASN  54  -2.656  10.740   7.396
  211   1HB   ASN  54          2HB       ASN  54  -2.878   8.216   5.712
  212   2HB   ASN  54          3HB       ASN  54  -3.149   8.215   7.454
  213   1HD2  ASN  54          1HD2      ASN  54  -4.373   9.706   4.394
  214   2HD2  ASN  54          2HD2      ASN  54  -5.954  10.047   5.095
  215    H    TYR  55           H        TYR  55  -0.132   8.871   5.701
  216    HA   TYR  55           HA       TYR  55   1.401   8.502   8.218
  217   1HB   TYR  55          2HB       TYR  55   0.837   6.362   6.140
  218   2HB   TYR  55          3HB       TYR  55   1.657   6.144   7.681
  219    HD1  TYR  55           HD1      TYR  55  -1.270   5.378   6.029
  220    HD2  TYR  55           HD2      TYR  55   0.047   7.079   9.767
  221    HE1  TYR  55           HE1      TYR  55  -3.467   4.843   7.061
  222    HE2  TYR  55           HE2      TYR  55  -2.148   6.562  10.776
  223    HH   TYR  55           HH       TYR  55  -4.228   5.567  10.457
  224    H    SER  56           H        SER  56   3.708   8.421   7.778
  225    HA   SER  56           HA       SER  56   4.445   9.533   5.130
  226   1HB   SER  56          2HB       SER  56   5.926   9.357   7.776
  227   2HB   SER  56          3HB       SER  56   6.683   9.863   6.267
  228    HG   SER  56           HG       SER  56   4.249  10.981   7.172
  229    H    GLU  57           H        GLU  57   6.794   8.633   4.467
  230    HA   GLU  57           HA       GLU  57   5.992   6.361   3.085
  231   1HB   GLU  57          2HB       GLU  57   8.905   7.143   3.521
  232   2HB   GLU  57          3HB       GLU  57   8.173   6.316   2.144
  233   1HG   GLU  57          2HG       GLU  57   8.201   8.413   1.223
  234   2HG   GLU  57          3HG       GLU  57   6.721   8.630   2.179
  235    H    GLU  58           H        GLU  58   8.101   6.609   5.934
  236    HA   GLU  58           HA       GLU  58   8.922   3.892   5.962
  237   1HB   GLU  58          2HB       GLU  58   9.900   6.002   7.141
  238   2HB   GLU  58          3HB       GLU  58   8.778   5.623   8.455
  239   1HG   GLU  58          2HG       GLU  58   9.865   3.445   8.763
  240   2HG   GLU  58          3HG       GLU  58  10.799   3.649   7.269
  241    H    GLU  59           H        GLU  59   6.080   5.591   7.389
  242    HA   GLU  59           HA       GLU  59   5.218   3.402   9.024
  243   1HB   GLU  59          2HB       GLU  59   3.822   5.861   7.888
  244   2HB   GLU  59          3HB       GLU  59   3.114   4.746   9.070
  245   1HG   GLU  59          2HG       GLU  59   3.910   6.658  10.260
  246   2HG   GLU  59          3HG       GLU  59   4.979   5.308  10.655
  247    H    ILE  60           H        ILE  60   4.375   4.639   5.739
  248    HA   ILE  60           HA       ILE  60   2.335   2.686   5.323
  249    HB   ILE  60           HB       ILE  60   3.952   4.128   3.220
  250   1HG1  ILE  60          2HG1      ILE  60   1.289   4.648   4.609
  251   2HG1  ILE  60          3HG1      ILE  60   2.740   5.546   4.824
  252   1HG2  ILE  60          1HG2      ILE  60   2.100   1.909   2.957
  253   2HG2  ILE  60          2HG2      ILE  60   1.256   3.336   2.418
  254   3HG2  ILE  60          3HG2      ILE  60   2.803   2.905   1.688
  255   1HD1  ILE  60          1HD1      ILE  60   2.726   6.222   2.393
  256   2HD1  ILE  60          2HD1      ILE  60   1.116   5.466   2.256
  257   3HD1  ILE  60          3HD1      ILE  60   1.369   6.821   3.359
  258    H    LEU  61           H        LEU  61   5.824   2.790   4.527
  259    HA   LEU  61           HA       LEU  61   6.084   0.319   3.257
  260   1HB   LEU  61          2HB       LEU  61   7.858   1.962   3.296
  261   2HB   LEU  61          3HB       LEU  61   8.016   1.827   5.049
  262    HG   LEU  61           HG       LEU  61   8.845  -0.459   4.865
  263   1HD1  LEU  61          1HD1      LEU  61   7.650  -1.294   2.918
  264   2HD1  LEU  61          2HD1      LEU  61   8.410  -0.084   1.869
  265   3HD1  LEU  61          3HD1      LEU  61   9.381  -1.393   2.580
  266   1HD2  LEU  61          1HD2      LEU  61  10.235   1.467   2.960
  267   2HD2  LEU  61          2HD2      LEU  61  10.430   1.416   4.723
  268   3HD2  LEU  61          3HD2      LEU  61  10.979   0.049   3.737
  269    H    ASP  62           H        ASP  62   6.453   1.049   6.788
  270    HA   ASP  62           HA       ASP  62   6.754  -1.550   7.731
  271   1HB   ASP  62          2HB       ASP  62   6.894   0.612   9.034
  272   2HB   ASP  62          3HB       ASP  62   5.122   0.655   9.043
  273    H    ILE  63           H        ILE  63   3.661   0.251   7.216
  274    HA   ILE  63           HA       ILE  63   2.022  -2.063   7.895
  275    HB   ILE  63           HB       ILE  63   1.422   0.450   6.253
  276   1HG1  ILE  63          2HG1      ILE  63   0.564  -0.156   9.092
  277   2HG1  ILE  63          3HG1      ILE  63   2.047   0.708   8.691
  278   1HG2  ILE  63          1HG2      ILE  63  -1.020  -0.120   6.793
  279   2HG2  ILE  63          2HG2      ILE  63  -0.260  -1.172   5.606
  280   3HG2  ILE  63          3HG2      ILE  63  -0.456  -1.717   7.288
  281   1HD1  ILE  63          1HD1      ILE  63   0.726   2.416   7.431
  282   2HD1  ILE  63          2HD1      ILE  63  -0.764   1.659   8.042
  283   3HD1  ILE  63          3HD1      ILE  63   0.399   2.359   9.171
  284    H    ILE  64           H        ILE  64   3.645  -1.305   4.880
  285    HA   ILE  64           HA       ILE  64   2.159  -3.400   3.453
  286    HB   ILE  64           HB       ILE  64   4.714  -1.900   2.836
  287   1HG1  ILE  64          2HG1      ILE  64   2.065  -1.824   1.364
  288   2HG1  ILE  64          3HG1      ILE  64   2.300  -0.820   2.787
  289   1HG2  ILE  64          1HG2      ILE  64   4.939  -4.049   1.790
  290   2HG2  ILE  64          2HG2      ILE  64   3.249  -4.038   1.248
  291   3HG2  ILE  64          3HG2      ILE  64   4.425  -2.907   0.543
  292   1HD1  ILE  64          1HD1      ILE  64   4.013  -0.685   0.277
  293   2HD1  ILE  64          2HD1      ILE  64   2.829   0.504   0.852
  294   3HD1  ILE  64          3HD1      ILE  64   4.301   0.220   1.779
  295    H    LEU  65           H        LEU  65   5.297  -3.146   5.139
  296    HA   LEU  65           HA       LEU  65   6.198  -5.752   4.520
  297   1HB   LEU  65          2HB       LEU  65   6.960  -3.831   6.743
  298   2HB   LEU  65          3HB       LEU  65   7.807  -5.345   6.438
  299    HG   LEU  65           HG       LEU  65   7.596  -3.061   4.438
  300   1HD1  LEU  65          1HD1      LEU  65   9.921  -4.000   6.169
  301   2HD1  LEU  65          2HD1      LEU  65   9.977  -2.701   4.960
  302   3HD1  LEU  65          3HD1      LEU  65   8.982  -2.512   6.415
  303   1HD2  LEU  65          1HD2      LEU  65   9.393  -4.290   3.235
  304   2HD2  LEU  65          2HD2      LEU  65   9.146  -5.671   4.325
  305   3HD2  LEU  65          3HD2      LEU  65   7.846  -5.138   3.229
  306    H    ASN  66           H        ASN  66   4.017  -4.774   7.307
  307    HA   ASN  66           HA       ASN  66   4.132  -7.604   8.183
  308   1HB   ASN  66          2HB       ASN  66   4.084  -6.622  10.476
  309   2HB   ASN  66          3HB       ASN  66   5.662  -6.671   9.691
  310   1HD2  ASN  66          1HD2      ASN  66   6.726  -4.663   9.282
  311   2HD2  ASN  66          2HD2      ASN  66   6.154  -3.192  10.007
  312    H    GLY  67           H        GLY  67   2.546  -6.136   6.592
  313   1HA   GLY  67          1HA       GLY  67   0.356  -5.269   6.194
  314   2HA   GLY  67          2HA       GLY  67  -0.114  -6.775   6.819
  315    H    GLN  68           H        GLN  68  -1.912  -6.142   8.243
  316    HA   GLN  68           HA       GLN  68  -1.775  -4.897  10.671
  317   1HB   GLN  68          2HB       GLN  68  -1.064  -2.756   9.749
  318   2HB   GLN  68          3HB       GLN  68  -2.349  -2.800   8.528
  319   1HG   GLN  68          2HG       GLN  68  -3.994  -2.485  10.381
  320   2HG   GLN  68          3HG       GLN  68  -2.663  -2.506  11.546
  321   1HE2  GLN  68          1HE2      GLN  68  -4.657  -0.466   9.734
  322   2HE2  GLN  68          2HE2      GLN  68  -3.643   0.955   9.655
  323    H    GLY  69           H        GLY  69  -3.943  -4.977  11.709
  324   1HA   GLY  69          1HA       GLY  69  -5.948  -5.989  11.899
  325   2HA   GLY  69          2HA       GLY  69  -6.390  -4.834  10.643
  326    H    GLY  70           H        GLY  70  -7.435  -5.781   8.973
  327   1HA   GLY  70          1HA       GLY  70  -7.479  -8.636   8.531
  328   2HA   GLY  70          2HA       GLY  70  -8.207  -7.388   7.511
  329    H    MET  71           H        MET  71  -5.317  -6.134   7.431
  330    HA   MET  71           HA       MET  71  -4.657  -7.264   4.887
  331   1HB   MET  71          1HB       MET  71  -4.413  -4.856   5.668
  332   2HB   MET  71          2HB       MET  71  -3.004  -5.349   6.570
  333   1HG   MET  71          1HG       MET  71  -1.819  -6.046   4.711
  334   2HG   MET  71          2HG       MET  71  -3.168  -5.862   3.603
  335   1HE   MET  71          1HE       MET  71  -0.165  -3.249   2.998
  336   2HE   MET  71          2HE       MET  71   0.023  -4.694   4.014
  337   3HE   MET  71          3HE       MET  71  -0.885  -4.810   2.503
  338    HA   PRO  72           HA       PRO  72  -2.483 -10.638   6.859
  339   1HB   PRO  72          2HB       PRO  72  -1.086 -11.637   4.634
  340   2HB   PRO  72          3HB       PRO  72  -2.803 -11.964   5.028
  341   1HG   PRO  72          2HG       PRO  72  -1.636 -10.013   3.087
  342   2HG   PRO  72          3HG       PRO  72  -3.107 -10.997   2.902
  343   1HD   PRO  72          2HD       PRO  72  -3.193  -8.346   3.577
  344   2HD   PRO  72          3HD       PRO  72  -4.384  -9.501   4.218
  345    H    GLY  73           H        GLY  73  -0.491  -8.921   4.463
  346   1HA   GLY  73          1HA       GLY  73   1.195  -7.428   5.169
  347   2HA   GLY  73          2HA       GLY  73   1.618  -8.502   6.544
  348    H    GLY  74           H        GLY  74   3.288  -7.228   4.650
  349   1HA   GLY  74          1HA       GLY  74   5.238  -7.761   3.515
  350   2HA   GLY  74          2HA       GLY  74   5.013  -9.463   3.956
  351    H    ILE  75           H        ILE  75   2.373  -7.908   2.402
  352    HA   ILE  75           HA       ILE  75   2.090  -9.568   0.203
  353    HB   ILE  75           HB       ILE  75   1.066  -6.927   1.210
  354   1HG1  ILE  75          2HG1      ILE  75  -0.517  -9.175  -0.004
  355   2HG1  ILE  75          3HG1      ILE  75   0.221  -9.350   1.598
  356   1HG2  ILE  75          1HG2      ILE  75   1.412  -6.368  -1.273
  357   2HG2  ILE  75          2HG2      ILE  75   0.657  -7.901  -1.717
  358   3HG2  ILE  75          3HG2      ILE  75  -0.292  -6.633  -0.955
  359   1HD1  ILE  75          1HD1      ILE  75  -2.179  -8.399   1.494
  360   2HD1  ILE  75          2HD1      ILE  75  -0.989  -7.566   2.531
  361   3HD1  ILE  75          3HD1      ILE  75  -1.422  -6.897   0.957
  362    H    ALA  76           H        ALA  76   3.638  -6.346   0.246
  363    HA   ALA  76           HA       ALA  76   5.465  -7.289  -1.897
  364   1HB   ALA  76          1HB       ALA  76   4.271  -5.313  -2.696
  365   2HB   ALA  76          2HB       ALA  76   4.596  -4.455  -1.174
  366   3HB   ALA  76          3HB       ALA  76   5.931  -4.849  -2.268
  367    H    LYS  77           H        LYS  77   7.724  -6.767  -1.508
  368    HA   LYS  77           HA       LYS  77   8.535  -5.879   1.176
  369   1HB   LYS  77          2HB       LYS  77   8.793  -8.677   0.098
  370   2HB   LYS  77          3HB       LYS  77  10.163  -8.032   1.000
  371   1HG   LYS  77          2HG       LYS  77   9.038  -7.862   2.996
  372   2HG   LYS  77          3HG       LYS  77   7.438  -7.798   2.262
  373   1HD   LYS  77          2HD       LYS  77   7.242 -10.031   1.925
  374   2HD   LYS  77          3HD       LYS  77   8.968 -10.337   1.790
  375   1HE   LYS  77          2HE       LYS  77   7.742  -9.469   4.448
  376   2HE   LYS  77          3HE       LYS  77   7.663 -11.155   3.921
  377   1HZ   LYS  77          1HZ       LYS  77  10.169  -9.638   4.210
  378   2HZ   LYS  77          2HZ       LYS  77   9.585 -10.735   5.288
  379   3HZ   LYS  77          3HZ       LYS  77  10.026 -11.221   3.782
  380    H    GLY  78           H        GLY  78  10.809  -5.361   1.272
  381   1HA   GLY  78          1HA       GLY  78  12.670  -4.305   0.434
  382   2HA   GLY  78          2HA       GLY  78  12.610  -5.463  -0.912
  383    H    ALA  79           H        ALA  79  13.208  -3.797  -2.430
  384    HA   ALA  79           HA       ALA  79  12.138  -1.313  -2.736
  385   1HB   ALA  79          1HB       ALA  79  12.910  -3.183  -5.006
  386   2HB   ALA  79          2HB       ALA  79  12.792  -1.409  -5.083
  387   3HB   ALA  79          3HB       ALA  79  14.019  -2.165  -4.051
  388    H    GLU  80           H        GLU  80  10.559  -4.350  -3.654
  389    HA   GLU  80           HA       GLU  80   8.473  -3.397  -5.302
  390   1HB   GLU  80          2HB       GLU  80   9.111  -5.802  -4.778
  391   2HB   GLU  80          3HB       GLU  80   8.194  -5.624  -3.267
  392   1HG   GLU  80          2HG       GLU  80   6.191  -5.078  -4.532
  393   2HG   GLU  80          3HG       GLU  80   7.097  -5.176  -6.056
  394    H    ALA  81           H        ALA  81   8.809  -3.516  -1.751
  395    HA   ALA  81           HA       ALA  81   6.197  -2.251  -1.275
  396   1HB   ALA  81          1HB       ALA  81   6.832  -2.329   1.061
  397   2HB   ALA  81          2HB       ALA  81   7.081  -3.910   0.313
  398   3HB   ALA  81          3HB       ALA  81   8.475  -2.866   0.651
  399    H    GLU  82           H        GLU  82   9.688  -1.356  -0.972
  400    HA   GLU  82           HA       GLU  82   9.268   1.179   0.149
  401   1HB   GLU  82          2HB       GLU  82  11.538   0.413  -1.718
  402   2HB   GLU  82          3HB       GLU  82  11.527   1.735  -0.583
  403   1HG   GLU  82          2HG       GLU  82  11.299   0.182   1.319
  404   2HG   GLU  82          3HG       GLU  82  11.348  -1.198   0.233
  405    H    ALA  83           H        ALA  83   9.539   0.347  -3.336
  406    HA   ALA  83           HA       ALA  83   9.349   3.000  -4.341
  407   1HB   ALA  83          1HB       ALA  83   8.371   0.394  -5.592
  408   2HB   ALA  83          2HB       ALA  83   8.683   1.918  -6.447
  409   3HB   ALA  83          3HB       ALA  83  10.026   1.039  -5.698
  410    H    VAL  84           H        VAL  84   6.838   0.531  -3.651
  411    HA   VAL  84           HA       VAL  84   4.598   2.081  -4.459
  412    HB   VAL  84           HB       VAL  84   4.930  -0.258  -2.545
  413   1HG1  VAL  84          1HG1      VAL  84   2.975   0.883  -1.722
  414   2HG1  VAL  84          2HG1      VAL  84   2.398   1.203  -3.368
  415   3HG1  VAL  84          3HG1      VAL  84   2.432  -0.460  -2.743
  416   1HG2  VAL  84          1HG2      VAL  84   3.784   0.085  -5.346
  417   2HG2  VAL  84          2HG2      VAL  84   5.319  -0.676  -4.957
  418   3HG2  VAL  84          3HG2      VAL  84   3.800  -1.422  -4.412
  419    H    ALA  85           H        ALA  85   5.950   1.628  -1.172
  420    HA   ALA  85           HA       ALA  85   4.320   3.434   0.188
  421   1HB   ALA  85          1HB       ALA  85   5.934   1.945   1.306
  422   2HB   ALA  85          2HB       ALA  85   7.287   2.895   0.661
  423   3HB   ALA  85          3HB       ALA  85   6.161   3.629   1.818
  424    H    ALA  86           H        ALA  86   7.483   4.188  -1.342
  425    HA   ALA  86           HA       ALA  86   7.437   6.965  -0.750
  426   1HB   ALA  86          1HB       ALA  86   8.814   5.496  -3.037
  427   2HB   ALA  86          2HB       ALA  86   9.183   7.144  -2.480
  428   3HB   ALA  86          3HB       ALA  86   9.468   5.762  -1.405
  429    H    TRP  87           H        TRP  87   6.183   5.157  -3.577
  430    HA   TRP  87           HA       TRP  87   5.394   7.459  -5.097
  431   1HB   TRP  87          2HB       TRP  87   5.706   5.265  -6.038
  432   2HB   TRP  87          3HB       TRP  87   4.440   4.587  -5.014
  433    HD1  TRP  87           HD1      TRP  87   4.818   7.061  -7.942
  434    HE1  TRP  87           HE1      TRP  87   2.770   6.884  -9.437
  435    HE3  TRP  87           HE3      TRP  87   2.002   3.971  -5.025
  436    HZ2  TRP  87           HZ2      TRP  87   0.200   5.501  -9.401
  437    HZ3  TRP  87           HZ3      TRP  87  -0.327   3.398  -5.685
  438    HH2  TRP  87           HH2      TRP  87  -1.204   4.081  -7.893
  439    H    LEU  88           H        LEU  88   3.516   5.299  -2.875
  440    HA   LEU  88           HA       LEU  88   1.192   6.953  -2.993
  441   1HB   LEU  88          2HB       LEU  88   2.083   4.669  -1.291
  442   2HB   LEU  88          3HB       LEU  88   0.965   5.776  -0.520
  443    HG   LEU  88           HG       LEU  88  -0.013   5.271  -3.230
  444   1HD1  LEU  88          1HD1      LEU  88   1.275   3.226  -3.055
  445   2HD1  LEU  88          2HD1      LEU  88   0.425   2.808  -1.545
  446   3HD1  LEU  88          3HD1      LEU  88  -0.482   2.943  -3.080
  447   1HD2  LEU  88          1HD2      LEU  88  -1.119   4.419  -0.534
  448   2HD2  LEU  88          2HD2      LEU  88  -1.302   6.057  -1.228
  449   3HD2  LEU  88          3HD2      LEU  88  -2.012   4.659  -2.046
  450    H    ALA  89           H        ALA  89   4.116   7.302  -1.049
  451    HA   ALA  89           HA       ALA  89   3.222   9.289   0.705
  452   1HB   ALA  89          1HB       ALA  89   5.426   9.954   0.934
  453   2HB   ALA  89          2HB       ALA  89   5.553   8.242   0.439
  454   3HB   ALA  89          3HB       ALA  89   5.861   9.555  -0.723
  455    H    GLU  90           H        GLU  90   3.875   9.468  -2.802
  456    HA   GLU  90           HA       GLU  90   3.572  12.344  -2.955
  457   1HB   GLU  90          2HB       GLU  90   4.294  12.132  -5.059
  458   2HB   GLU  90          3HB       GLU  90   4.753  10.518  -4.553
  459   1HG   GLU  90          2HG       GLU  90   2.377   9.831  -5.491
  460   2HG   GLU  90          3HG       GLU  90   2.404  11.416  -6.253
  461    H    LYS  91           H        LYS  91   1.462   9.457  -3.258
  462    HA   LYS  91           HA       LYS  91  -0.747  10.974  -4.364
  463   1HB   LYS  91          2HB       LYS  91  -0.647   8.152  -3.227
  464   2HB   LYS  91          3HB       LYS  91  -2.017   8.927  -3.988
  465   1HG   LYS  91          2HG       LYS  91  -0.361   9.386  -5.999
  466   2HG   LYS  91          3HG       LYS  91   0.619   8.133  -5.255
  467   1HD   LYS  91          2HD       LYS  91  -0.761   7.257  -7.034
  468   2HD   LYS  91          3HD       LYS  91  -1.232   6.496  -5.517
  469   1HE   LYS  91          2HE       LYS  91  -2.717   8.980  -6.474
  470   2HE   LYS  91          3HE       LYS  91  -3.019   7.461  -7.319
  471   1HZ   LYS  91          1HZ       LYS  91  -4.562   7.981  -5.405
  472   2HZ   LYS  91          2HZ       LYS  91  -3.887   6.500  -5.391
  473   3HZ   LYS  91          3HZ       LYS  91  -3.355   7.693  -4.396
  474    H    LYS  92           H        LYS  92  -1.666  12.566  -3.160
  475    HA   LYS  92           HA       LYS  92  -3.464  11.880  -1.160
  476   1HB   LYS  92          2HB       LYS  92  -2.627  13.179   0.670
  477   2HB   LYS  92          3HB       LYS  92  -1.463  11.897   0.344
  478   1HG   LYS  92          2HG       LYS  92  -0.741  14.191  -1.268
  479   2HG   LYS  92          3HG       LYS  92  -1.107  14.754   0.370
  480   1HD   LYS  92          2HD       LYS  92   0.489  12.870   1.180
  481   2HD   LYS  92          3HD       LYS  92   0.900  12.631  -0.520
  482   1HE   LYS  92          2HE       LYS  92   1.317  15.133   1.190
  483   2HE   LYS  92          3HE       LYS  92   2.574  14.038   0.592
  484   1HZ   LYS  92          1HZ       LYS  92   0.833  15.721  -1.087
  485   2HZ   LYS  92          2HZ       LYS  92   2.419  16.008  -0.753
  486   3HZ   LYS  92          3HZ       LYS  92   1.982  14.688  -1.649
  487    HHA  HEC  93           HHA      HEC  93  -4.952  -0.550   6.371
  488    HHB  HEC  93           HHB      HEC  93  -0.508   0.648   1.925
  489    HHC  HEC  93           HHC      HEC  93  -1.878  -5.080  -0.800
  490    HHD  HEC  93           HHD      HEC  93  -6.904  -5.737   3.115
  491   1HMA  HEC  93          1HMA      HEC  93  -1.097   2.810   5.018
  492   2HMA  HEC  93          2HMA      HEC  93   0.045   1.746   4.212
  493   3HMA  HEC  93          3HMA      HEC  93  -1.071   2.749   3.255
  494   1HAA  HEC  93          1HAA      HEC  93  -2.654   2.427   6.462
  495   2HAA  HEC  93          2HAA      HEC  93  -3.356   0.991   7.157
  496   1HBA  HEC  93          1HBA      HEC  93  -5.270   1.722   5.240
  497   2HBA  HEC  93          2HBA      HEC  93  -4.672   3.278   5.802
  498   1HMB  HEC  93          1HMB      HEC  93   0.502   0.621   0.058
  499   2HMB  HEC  93          2HMB      HEC  93   1.453  -0.639  -0.709
  500   3HMB  HEC  93          3HMB      HEC  93   0.028   0.046  -1.523
  501    HAB  HEC  93           HAB      HEC  93  -0.286  -4.227  -1.880
  502   1HBB  HEC  93          1HBB      HEC  93   2.170  -2.625  -1.143
  503   2HBB  HEC  93          2HBB      HEC  93   1.692  -4.189  -0.464
  504   3HBB  HEC  93          3HBB      HEC  93   2.067  -4.040  -2.192
  505   1HMC  HEC  93          1HMC      HEC  93  -4.358  -7.896  -1.078
  506   2HMC  HEC  93          2HMC      HEC  93  -3.973  -6.349  -1.848
  507   3HMC  HEC  93          3HMC      HEC  93  -2.715  -7.278  -0.994
  508    HAC  HEC  93           HAC      HEC  93  -7.084  -7.207   1.628
  509   1HBC  HEC  93          1HBC      HEC  93  -6.630  -9.515   1.276
  510   2HBC  HEC  93          2HBC      HEC  93  -5.035  -9.182   0.580
  511   3HBC  HEC  93          3HBC      HEC  93  -5.351  -8.825   2.286
  512   1HMD  HEC  93          1HMD      HEC  93  -8.999  -4.014   5.516
  513   2HMD  HEC  93          2HMD      HEC  93  -8.345  -5.421   4.684
  514   3HMD  HEC  93          3HMD      HEC  93  -7.922  -5.125   6.377
  515   1HAD  HEC  93          1HAD      HEC  93  -8.095  -2.478   7.142
  516   2HAD  HEC  93          2HAD      HEC  93  -6.964  -1.137   7.126
  517   1HBD  HEC  93          1HBD      HEC  93  -5.226  -2.668   8.126
  518   2HBD  HEC  93          2HBD      HEC  93  -6.477  -3.916   8.242
  Start of MODEL   11
    1   1H    VAL  22          H1        VAL  22  12.177   1.532  -9.442
    2   2H    VAL  22          H2        VAL  22  12.906   1.162  -7.978
    3   3H    VAL  22          H3        VAL  22  13.130   0.206  -9.328
    4    HA   VAL  22           HA       VAL  22  10.727   0.624  -7.768
    5    HB   VAL  22           HB       VAL  22  12.580  -1.340  -7.559
    6   1HG1  VAL  22          1HG1      VAL  22  10.978  -0.839  -5.937
    7   2HG1  VAL  22          2HG1      VAL  22   9.650  -1.518  -6.914
    8   3HG1  VAL  22          3HG1      VAL  22  10.941  -2.578  -6.304
    9   1HG2  VAL  22          1HG2      VAL  22  11.783  -2.396  -9.827
   10   2HG2  VAL  22          2HG2      VAL  22  11.876  -3.426  -8.380
   11   3HG2  VAL  22          3HG2      VAL  22  10.311  -2.839  -8.899
   12    H    ASP  23           H        ASP  23   9.109  -1.266  -9.077
   13    HA   ASP  23           HA       ASP  23   8.229   0.951 -10.767
   14   1HB   ASP  23          2HB       ASP  23   7.962  -1.336 -11.967
   15   2HB   ASP  23          3HB       ASP  23   6.789  -1.719 -10.695
   16    H    ALA  24           H        ALA  24   6.054   1.469  -9.875
   17    HA   ALA  24           HA       ALA  24   5.746   0.808  -6.981
   18   1HB   ALA  24          1HB       ALA  24   5.058   3.041  -6.442
   19   2HB   ALA  24          2HB       ALA  24   6.711   3.091  -7.079
   20   3HB   ALA  24          3HB       ALA  24   5.358   3.616  -8.097
   21    H    GLU  25           H        GLU  25   4.174   2.569  -9.693
   22    HA   GLU  25           HA       GLU  25   1.576   1.966  -8.868
   23   1HB   GLU  25          2HB       GLU  25   2.291   2.434 -11.775
   24   2HB   GLU  25          3HB       GLU  25   0.829   2.831 -10.874
   25   1HG   GLU  25          2HG       GLU  25   2.653   4.276  -9.444
   26   2HG   GLU  25          3HG       GLU  25   3.491   4.251 -10.991
   27    H    ALA  26           H        ALA  26   3.754   0.168 -11.146
   28    HA   ALA  26           HA       ALA  26   1.752  -1.701 -11.972
   29   1HB   ALA  26          1HB       ALA  26   3.929  -1.364 -13.132
   30   2HB   ALA  26          2HB       ALA  26   4.719  -2.255 -11.798
   31   3HB   ALA  26          3HB       ALA  26   3.517  -3.058 -12.812
   32    H    VAL  27           H        VAL  27   3.909  -1.573  -9.151
   33    HA   VAL  27           HA       VAL  27   3.438  -4.292  -8.258
   34    HB   VAL  27           HB       VAL  27   4.278  -1.773  -6.729
   35   1HG1  VAL  27          1HG1      VAL  27   5.045  -3.224  -4.974
   36   2HG1  VAL  27          2HG1      VAL  27   3.327  -3.554  -5.221
   37   3HG1  VAL  27          3HG1      VAL  27   4.544  -4.657  -5.884
   38   1HG2  VAL  27          1HG2      VAL  27   5.923  -4.057  -7.874
   39   2HG2  VAL  27          2HG2      VAL  27   5.860  -2.410  -8.522
   40   3HG2  VAL  27          3HG2      VAL  27   6.541  -2.683  -6.916
   41    H    VAL  28           H        VAL  28   2.094  -1.082  -7.292
   42    HA   VAL  28           HA       VAL  28   0.156  -2.133  -5.552
   43    HB   VAL  28           HB       VAL  28   0.164   0.385  -7.256
   44   1HG1  VAL  28          1HG1      VAL  28  -1.609   1.313  -6.139
   45   2HG1  VAL  28          2HG1      VAL  28  -2.180  -0.334  -6.274
   46   3HG1  VAL  28          3HG1      VAL  28  -1.494   0.241  -4.747
   47   1HG2  VAL  28          1HG2      VAL  28   0.571   0.964  -4.500
   48   2HG2  VAL  28          2HG2      VAL  28   1.504  -0.489  -4.801
   49   3HG2  VAL  28          3HG2      VAL  28   1.792   0.952  -5.786
   50    H    GLN  29           H        GLN  29  -0.121  -1.454  -8.983
   51    HA   GLN  29           HA       GLN  29  -2.705  -2.258  -9.567
   52   1HB   GLN  29          2HB       GLN  29  -0.153  -2.364 -11.118
   53   2HB   GLN  29          3HB       GLN  29  -1.660  -2.942 -11.809
   54   1HG   GLN  29          2HG       GLN  29  -1.454  -0.142 -10.606
   55   2HG   GLN  29          3HG       GLN  29  -0.974  -0.492 -12.267
   56   1HE2  GLN  29          1HE2      GLN  29  -3.745  -0.140 -10.085
   57   2HE2  GLN  29          2HE2      GLN  29  -4.942  -0.280 -11.352
   58    H    GLN  30           H        GLN  30  -0.055  -4.381  -8.535
   59    HA   GLN  30           HA       GLN  30  -2.061  -6.477  -8.585
   60   1HB   GLN  30          2HB       GLN  30  -0.780  -6.668 -10.757
   61   2HB   GLN  30          3HB       GLN  30   0.690  -6.959  -9.814
   62   1HG   GLN  30          2HG       GLN  30  -0.470  -9.023 -10.743
   63   2HG   GLN  30          3HG       GLN  30  -0.235  -9.099  -9.005
   64   1HE2  GLN  30          1HE2      GLN  30  -2.094  -9.018  -7.596
   65   2HE2  GLN  30          2HE2      GLN  30  -3.718  -9.150  -8.252
   66    H    LYS  31           H        LYS  31  -1.481  -5.233  -6.436
   67    HA   LYS  31           HA       LYS  31  -0.759  -7.413  -4.724
   68   1HB   LYS  31          2HB       LYS  31   1.384  -5.439  -5.231
   69   2HB   LYS  31          3HB       LYS  31   1.015  -5.624  -3.537
   70   1HG   LYS  31          2HG       LYS  31   1.665  -7.849  -3.446
   71   2HG   LYS  31          3HG       LYS  31   1.442  -8.146  -5.146
   72   1HD   LYS  31          2HD       LYS  31   3.445  -6.036  -4.497
   73   2HD   LYS  31          3HD       LYS  31   3.847  -7.609  -3.858
   74   1HE   LYS  31          2HE       LYS  31   2.947  -7.789  -6.693
   75   2HE   LYS  31          3HE       LYS  31   4.307  -6.710  -6.495
   76   1HZ   LYS  31          1HZ       LYS  31   5.510  -8.353  -5.353
   77   2HZ   LYS  31          2HZ       LYS  31   4.291  -9.470  -5.511
   78   3HZ   LYS  31          3HZ       LYS  31   5.103  -8.862  -6.838
   79    H    CYS  32           H        CYS  32  -1.413  -3.871  -5.020
   80    HA   CYS  32           HA       CYS  32  -2.685  -3.981  -2.336
   81   1HB   CYS  32          2HB       CYS  32  -2.363  -1.537  -3.997
   82   2HB   CYS  32          3HB       CYS  32  -2.520  -1.689  -2.248
   83    H    ILE  33           H        ILE  33  -3.373  -2.955  -5.673
   84    HA   ILE  33           HA       ILE  33  -6.007  -2.178  -5.170
   85    HB   ILE  33           HB       ILE  33  -6.408  -2.344  -7.528
   86   1HG1  ILE  33          2HG1      ILE  33  -4.465  -3.100  -9.006
   87   2HG1  ILE  33          3HG1      ILE  33  -4.035  -4.187  -7.666
   88   1HG2  ILE  33          1HG2      ILE  33  -4.529  -0.789  -6.304
   89   2HG2  ILE  33          2HG2      ILE  33  -3.580  -1.459  -7.631
   90   3HG2  ILE  33          3HG2      ILE  33  -5.055  -0.560  -7.971
   91   1HD1  ILE  33          1HD1      ILE  33  -6.380  -5.177  -8.012
   92   2HD1  ILE  33          2HD1      ILE  33  -6.612  -3.973  -9.298
   93   3HD1  ILE  33          3HD1      ILE  33  -5.360  -5.213  -9.457
   94    H    SER  34           H        SER  34  -4.725  -5.360  -5.540
   95    HA   SER  34           HA       SER  34  -6.826  -7.020  -6.097
   96   1HB   SER  34          2HB       SER  34  -4.441  -7.647  -5.455
   97   2HB   SER  34          3HB       SER  34  -4.922  -7.450  -3.757
   98    HG   SER  34           HG       SER  34  -6.674  -8.999  -4.368
   99    H    CYS  35           H        CYS  35  -6.399  -5.069  -3.155
  100    HA   CYS  35           HA       CYS  35  -9.148  -5.887  -2.313
  101   1HB   CYS  35          2HB       CYS  35  -6.995  -4.922  -0.438
  102   2HB   CYS  35          3HB       CYS  35  -8.544  -5.689  -0.040
  103    H    HIS  36           HN       HIS  36  -6.664  -3.291  -2.317
  104    HA   HIS  36           HA       HIS  36  -8.448  -1.255  -1.351
  105   1HB   HIS  36          2HB       HIS  36  -5.694  -1.259  -2.651
  106   2HB   HIS  36          3HB       HIS  36  -6.512   0.206  -2.141
  107    HD1  HIS  36           HD1      HIS  36  -7.216   0.294   0.539
  108    HD2  HIS  36           HD2      HIS  36  -4.368  -2.538  -0.667
  109    HE1  HIS  36           1HE      HIS  36  -6.015  -0.430   2.651
  110    H    GLY  37           H        GLY  37  -8.292  -2.712  -4.448
  111   1HA   GLY  37          1HA       GLY  37  -9.809  -2.342  -6.130
  112   2HA   GLY  37          2HA       GLY  37 -10.183  -0.716  -5.522
  113    H    GLY  38           H        GLY  38  -9.445  -1.558  -8.264
  114   1HA   GLY  38          1HA       GLY  38  -6.912  -1.042  -9.242
  115   2HA   GLY  38          2HA       GLY  38  -8.406  -0.513 -10.004
  116    H    ASP  39           H        ASP  39  -9.353   1.271  -8.131
  117    HA   ASP  39           HA       ASP  39  -7.800   3.601  -8.866
  118   1HB   ASP  39          2HB       ASP  39 -10.480   3.433  -7.480
  119   2HB   ASP  39          3HB       ASP  39  -9.846   4.760  -8.463
  120    H    LEU  40           H        LEU  40  -7.894   1.586  -5.974
  121    HA   LEU  40           HA       LEU  40  -6.994   1.837  -4.053
  122   1HB   LEU  40          2HB       LEU  40  -6.070   4.659  -4.658
  123   2HB   LEU  40          3HB       LEU  40  -5.342   3.491  -3.569
  124    HG   LEU  40           HG       LEU  40  -5.402   3.100  -6.616
  125   1HD1  LEU  40          1HD1      LEU  40  -3.306   4.352  -4.837
  126   2HD1  LEU  40          2HD1      LEU  40  -3.023   3.726  -6.478
  127   3HD1  LEU  40          3HD1      LEU  40  -4.162   5.059  -6.238
  128   1HD2  LEU  40          1HD2      LEU  40  -3.673   1.765  -4.515
  129   2HD2  LEU  40          2HD2      LEU  40  -5.173   1.054  -5.151
  130   3HD2  LEU  40          3HD2      LEU  40  -3.840   1.402  -6.256
  131    H    THR  41           H        THR  41  -9.673   3.038  -4.859
  132    HA   THR  41           HA       THR  41 -10.255   5.189  -2.967
  133    HB   THR  41           HB       THR  41 -12.547   4.812  -4.136
  134    HG1  THR  41           1HG      THR  41 -12.352   3.550  -6.040
  135   1HG2  THR  41          1HG2      THR  41 -11.231   5.500  -6.499
  136   2HG2  THR  41          2HG2      THR  41 -11.697   6.619  -5.215
  137   3HG2  THR  41          3HG2      THR  41 -10.053   5.962  -5.263
  138    H    GLY  42           H        GLY  42  -9.911   1.822  -2.788
  139   1HA   GLY  42          1HA       GLY  42 -10.304   0.572  -0.935
  140   2HA   GLY  42          2HA       GLY  42 -11.546   1.676  -0.334
  141    H    ALA  43           H        ALA  43 -11.306  -1.278  -1.217
  142    HA   ALA  43           HA       ALA  43 -13.986  -1.471  -2.533
  143   1HB   ALA  43          1HB       ALA  43 -12.857  -3.517  -3.809
  144   2HB   ALA  43          2HB       ALA  43 -12.785  -1.871  -4.461
  145   3HB   ALA  43          3HB       ALA  43 -11.385  -2.546  -3.619
  146    H    SER  44           H        SER  44 -11.529  -3.898  -1.701
  147    HA   SER  44           HA       SER  44 -13.414  -5.165   0.224
  148   1HB   SER  44          2HB       SER  44 -12.324  -6.586  -1.517
  149   2HB   SER  44          3HB       SER  44 -10.748  -6.165  -0.818
  150    HG   SER  44           HG       SER  44 -11.642  -6.975   1.208
  151    H    ALA  45           H        ALA  45 -11.405  -2.593   0.413
  152    HA   ALA  45           HA       ALA  45 -10.599  -3.033   3.147
  153   1HB   ALA  45          1HB       ALA  45  -8.863  -4.160   1.488
  154   2HB   ALA  45          2HB       ALA  45  -8.352  -2.491   1.171
  155   3HB   ALA  45          3HB       ALA  45  -8.304  -3.180   2.809
  156    HA   PRO  46           HA       PRO  46 -11.100   1.294   3.132
  157   1HB   PRO  46          2HB       PRO  46  -9.037   2.409   4.619
  158   2HB   PRO  46          3HB       PRO  46 -10.369   1.442   5.309
  159   1HG   PRO  46          2HG       PRO  46  -7.556   0.596   4.709
  160   2HG   PRO  46          3HG       PRO  46  -8.600   0.137   6.077
  161   1HD   PRO  46          2HD       PRO  46  -8.130  -1.365   3.812
  162   2HD   PRO  46          3HD       PRO  46  -9.584  -1.583   4.836
  163    H    ALA  47           H        ALA  47 -10.393   3.434   2.273
  164    HA   ALA  47           HA       ALA  47  -8.892   3.078  -0.178
  165   1HB   ALA  47          1HB       ALA  47 -10.889   4.552   0.161
  166   2HB   ALA  47          2HB       ALA  47  -9.866   5.658   1.098
  167   3HB   ALA  47          3HB       ALA  47  -9.497   5.350  -0.615
  168    H    ILE  48           H        ILE  48  -6.775   3.441  -0.528
  169    HA   ILE  48           HA       ILE  48  -5.133   4.762   1.610
  170    HB   ILE  48           HB       ILE  48  -3.226   3.485   0.850
  171   1HG1  ILE  48          2HG1      ILE  48  -5.126   1.926  -0.952
  172   2HG1  ILE  48          3HG1      ILE  48  -3.931   3.116  -1.488
  173   1HG2  ILE  48          1HG2      ILE  48  -4.432   2.697   2.751
  174   2HG2  ILE  48          2HG2      ILE  48  -5.644   1.892   1.746
  175   3HG2  ILE  48          3HG2      ILE  48  -3.977   1.291   1.781
  176   1HD1  ILE  48          1HD1      ILE  48  -2.809   1.099  -1.789
  177   2HD1  ILE  48          2HD1      ILE  48  -2.175   1.673  -0.236
  178   3HD1  ILE  48          3HD1      ILE  48  -3.411   0.404  -0.276
  179    H    ASP  49           H        ASP  49  -6.594   5.404  -1.232
  180    HA   ASP  49           HA       ASP  49  -4.884   6.519  -3.010
  181   1HB   ASP  49          2HB       ASP  49  -6.662   8.085  -3.511
  182   2HB   ASP  49          3HB       ASP  49  -7.353   6.502  -3.166
  183    H    LYS  50           H        LYS  50  -5.990   8.012   0.016
  184    HA   LYS  50           HA       LYS  50  -3.861  10.055  -0.083
  185   1HB   LYS  50          2HB       LYS  50  -5.261  11.285   1.514
  186   2HB   LYS  50          3HB       LYS  50  -6.142  10.869   0.057
  187   1HG   LYS  50          2HG       LYS  50  -6.515   8.703   1.949
  188   2HG   LYS  50          3HG       LYS  50  -6.748  10.198   2.839
  189   1HD   LYS  50          2HD       LYS  50  -8.080   9.920   0.149
  190   2HD   LYS  50          3HD       LYS  50  -8.679   8.897   1.446
  191   1HE   LYS  50          2HE       LYS  50  -9.206  10.849   2.818
  192   2HE   LYS  50          3HE       LYS  50  -8.438  11.936   1.639
  193   1HZ   LYS  50          1HZ       LYS  50 -10.075  11.310   0.040
  194   2HZ   LYS  50          2HZ       LYS  50 -10.760  10.219   1.055
  195   3HZ   LYS  50          3HZ       LYS  50 -10.852  11.830   1.402
  196    H    ALA  51           H        ALA  51  -3.177   7.276   0.769
  197    HA   ALA  51           HA       ALA  51  -2.983   7.174   3.610
  198   1HB   ALA  51          1HB       ALA  51  -2.588   5.231   2.219
  199   2HB   ALA  51          2HB       ALA  51  -1.144   5.981   1.501
  200   3HB   ALA  51          3HB       ALA  51  -1.172   5.547   3.229
  201    H    GLY  52           H        GLY  52  -0.619   8.436   1.156
  202   1HA   GLY  52          1HA       GLY  52   1.412   9.299   2.764
  203   2HA   GLY  52          2HA       GLY  52   0.905  10.049   1.253
  204    H    ALA  53           H        ALA  53  -1.816  10.667   2.724
  205    HA   ALA  53           HA       ALA  53  -1.075  13.384   3.414
  206   1HB   ALA  53          1HB       ALA  53  -3.650  11.826   3.880
  207   2HB   ALA  53          2HB       ALA  53  -3.443  13.563   4.126
  208   3HB   ALA  53          3HB       ALA  53  -3.295  12.881   2.492
  209    H    ASN  54           H        ASN  54  -1.667  10.390   5.221
  210    HA   ASN  54           HA       ASN  54  -1.406  11.899   7.817
  211   1HB   ASN  54          2HB       ASN  54  -2.593   9.136   7.323
  212   2HB   ASN  54          3HB       ASN  54  -2.495  10.009   8.856
  213   1HD2  ASN  54          1HD2      ASN  54  -4.139   9.860   5.701
  214   2HD2  ASN  54          2HD2      ASN  54  -5.444  10.934   6.174
  215    H    TYR  55           H        TYR  55  -0.481   8.901   6.088
  216    HA   TYR  55           HA       TYR  55   1.595   8.311   8.130
  217   1HB   TYR  55          2HB       TYR  55   0.682   6.712   5.735
  218   2HB   TYR  55          3HB       TYR  55   1.586   6.110   7.128
  219    HD1  TYR  55           HD1      TYR  55  -1.415   5.732   5.608
  220    HD2  TYR  55           HD2      TYR  55   0.066   6.998   9.457
  221    HE1  TYR  55           HE1      TYR  55  -3.561   5.081   6.654
  222    HE2  TYR  55           HE2      TYR  55  -2.097   6.361  10.485
  223    HH   TYR  55           HH       TYR  55  -4.585   4.539   8.785
  224    H    SER  56           H        SER  56   3.810   8.075   7.424
  225    HA   SER  56           HA       SER  56   4.462   9.511   4.880
  226   1HB   SER  56          2HB       SER  56   5.482   9.899   7.410
  227   2HB   SER  56          3HB       SER  56   6.665   8.767   6.737
  228    HG   SER  56           HG       SER  56   6.860  10.277   4.944
  229    H    GLU  57           H        GLU  57   6.411   8.519   3.729
  230    HA   GLU  57           HA       GLU  57   5.908   5.988   2.717
  231   1HB   GLU  57          2HB       GLU  57   8.274   6.002   1.986
  232   2HB   GLU  57          3HB       GLU  57   7.280   7.360   1.476
  233   1HG   GLU  57          2HG       GLU  57   9.003   7.694   3.925
  234   2HG   GLU  57          3HG       GLU  57   9.694   7.730   2.308
  235    H    GLU  58           H        GLU  58   7.998   6.845   5.447
  236    HA   GLU  58           HA       GLU  58   9.095   4.331   5.977
  237   1HB   GLU  58          2HB       GLU  58   9.564   6.706   6.951
  238   2HB   GLU  58          3HB       GLU  58   8.348   6.306   8.171
  239   1HG   GLU  58          2HG       GLU  58   9.716   4.295   8.779
  240   2HG   GLU  58          3HG       GLU  58  10.902   4.753   7.541
  241    H    GLU  59           H        GLU  59   5.957   5.710   7.082
  242    HA   GLU  59           HA       GLU  59   5.390   3.453   8.863
  243   1HB   GLU  59          2HB       GLU  59   3.816   5.887   7.928
  244   2HB   GLU  59          3HB       GLU  59   3.152   4.672   9.024
  245   1HG   GLU  59          2HG       GLU  59   5.764   6.076   9.712
  246   2HG   GLU  59          3HG       GLU  59   4.196   6.830  10.037
  247    H    ILE  60           H        ILE  60   4.364   4.693   5.670
  248    HA   ILE  60           HA       ILE  60   2.320   2.760   5.236
  249    HB   ILE  60           HB       ILE  60   3.983   4.391   3.292
  250   1HG1  ILE  60          2HG1      ILE  60   1.174   4.626   4.474
  251   2HG1  ILE  60          3HG1      ILE  60   2.558   5.614   4.878
  252   1HG2  ILE  60          1HG2      ILE  60   2.254   3.790   1.605
  253   2HG2  ILE  60          2HG2      ILE  60   3.141   2.379   2.143
  254   3HG2  ILE  60          3HG2      ILE  60   1.506   2.674   2.766
  255   1HD1  ILE  60          1HD1      ILE  60   2.637   6.389   2.455
  256   2HD1  ILE  60          2HD1      ILE  60   1.070   5.556   2.247
  257   3HD1  ILE  60          3HD1      ILE  60   1.215   6.897   3.388
  258    H    LEU  61           H        LEU  61   5.820   2.817   4.463
  259    HA   LEU  61           HA       LEU  61   5.951   0.355   3.117
  260   1HB   LEU  61          2HB       LEU  61   7.826   1.947   3.123
  261   2HB   LEU  61          3HB       LEU  61   7.987   1.794   4.873
  262    HG   LEU  61           HG       LEU  61   8.687  -0.537   4.645
  263   1HD1  LEU  61          1HD1      LEU  61   9.338  -0.840   1.919
  264   2HD1  LEU  61          2HD1      LEU  61   8.094  -1.706   2.818
  265   3HD1  LEU  61          3HD1      LEU  61   7.675  -0.254   1.896
  266   1HD2  LEU  61          1HD2      LEU  61  10.865  -0.124   3.634
  267   2HD2  LEU  61          2HD2      LEU  61  10.242   1.350   2.848
  268   3HD2  LEU  61          3HD2      LEU  61  10.350   1.254   4.620
  269    H    ASP  62           H        ASP  62   6.386   1.130   6.616
  270    HA   ASP  62           HA       ASP  62   6.682  -1.509   7.494
  271   1HB   ASP  62          2HB       ASP  62   6.893   0.673   8.827
  272   2HB   ASP  62          3HB       ASP  62   5.137   0.588   9.062
  273    H    ILE  63           H        ILE  63   3.618   0.355   7.002
  274    HA   ILE  63           HA       ILE  63   1.952  -1.904   7.752
  275    HB   ILE  63           HB       ILE  63   1.327   0.556   6.087
  276   1HG1  ILE  63          2HG1      ILE  63   0.386   0.023   8.882
  277   2HG1  ILE  63          3HG1      ILE  63   1.965   0.755   8.565
  278   1HG2  ILE  63          1HG2      ILE  63  -1.103  -0.030   6.700
  279   2HG2  ILE  63          2HG2      ILE  63  -0.360  -1.015   5.440
  280   3HG2  ILE  63          3HG2      ILE  63  -0.510  -1.638   7.101
  281   1HD1  ILE  63          1HD1      ILE  63  -0.626   1.946   7.502
  282   2HD1  ILE  63          2HD1      ILE  63   0.205   2.451   8.977
  283   3HD1  ILE  63          3HD1      ILE  63   1.009   2.630   7.409
  284    H    ILE  64           H        ILE  64   3.690  -1.355   4.801
  285    HA   ILE  64           HA       ILE  64   2.095  -3.334   3.297
  286    HB   ILE  64           HB       ILE  64   4.669  -1.852   2.701
  287   1HG1  ILE  64          2HG1      ILE  64   1.976  -1.743   1.301
  288   2HG1  ILE  64          3HG1      ILE  64   2.306  -0.725   2.692
  289   1HG2  ILE  64          1HG2      ILE  64   4.910  -3.963   1.588
  290   2HG2  ILE  64          2HG2      ILE  64   3.207  -3.978   1.108
  291   3HG2  ILE  64          3HG2      ILE  64   4.331  -2.814   0.375
  292   1HD1  ILE  64          1HD1      ILE  64   3.826  -0.646   0.064
  293   2HD1  ILE  64          2HD1      ILE  64   2.769   0.588   0.769
  294   3HD1  ILE  64          3HD1      ILE  64   4.312   0.221   1.533
  295    H    LEU  65           H        LEU  65   5.202  -3.183   5.046
  296    HA   LEU  65           HA       LEU  65   5.859  -5.941   4.465
  297   1HB   LEU  65          2HB       LEU  65   7.017  -3.878   6.349
  298   2HB   LEU  65          3HB       LEU  65   7.683  -5.502   6.178
  299    HG   LEU  65           HG       LEU  65   7.352  -3.592   3.828
  300   1HD1  LEU  65          1HD1      LEU  65   9.828  -4.123   5.531
  301   2HD1  LEU  65          2HD1      LEU  65   9.761  -3.101   4.080
  302   3HD1  LEU  65          3HD1      LEU  65   8.870  -2.633   5.543
  303   1HD2  LEU  65          1HD2      LEU  65   9.093  -6.080   4.151
  304   2HD2  LEU  65          2HD2      LEU  65   7.618  -5.989   3.167
  305   3HD2  LEU  65          3HD2      LEU  65   9.026  -5.024   2.728
  306    H    ASN  66           H        ASN  66   3.991  -4.445   7.122
  307    HA   ASN  66           HA       ASN  66   4.214  -7.036   8.659
  308   1HB   ASN  66          2HB       ASN  66   4.056  -4.210   9.764
  309   2HB   ASN  66          3HB       ASN  66   4.051  -5.708  10.708
  310   1HD2  ASN  66          1HD2      ASN  66   6.014  -3.241   9.986
  311   2HD2  ASN  66          2HD2      ASN  66   7.571  -4.037   9.927
  312    H    GLY  67           H        GLY  67   2.514  -5.961   6.648
  313   1HA   GLY  67          1HA       GLY  67   0.339  -5.196   6.101
  314   2HA   GLY  67          2HA       GLY  67  -0.076  -6.681   6.845
  315    H    GLN  68           H        GLN  68  -1.935  -6.111   8.106
  316    HA   GLN  68           HA       GLN  68  -1.906  -4.864  10.525
  317   1HB   GLN  68          2HB       GLN  68  -1.312  -2.687   9.728
  318   2HB   GLN  68          3HB       GLN  68  -2.452  -2.761   8.382
  319   1HG   GLN  68          2HG       GLN  68  -4.277  -2.438   9.817
  320   2HG   GLN  68          3HG       GLN  68  -3.382  -2.855  11.280
  321   1HE2  GLN  68          1HE2      GLN  68  -4.935  -0.346  10.162
  322   2HE2  GLN  68          2HE2      GLN  68  -3.834   0.961  10.605
  323    H    GLY  69           H        GLY  69  -4.098  -5.096  11.577
  324   1HA   GLY  69          1HA       GLY  69  -5.899  -6.426  11.744
  325   2HA   GLY  69          2HA       GLY  69  -6.521  -5.272  10.560
  326    H    GLY  70           H        GLY  70  -7.453  -6.234   8.851
  327   1HA   GLY  70          1HA       GLY  70  -7.232  -9.056   8.284
  328   2HA   GLY  70          2HA       GLY  70  -8.102  -7.838   7.342
  329    H    MET  71           H        MET  71  -5.330  -6.318   7.278
  330    HA   MET  71           HA       MET  71  -4.640  -7.208   4.641
  331   1HB   MET  71          1HB       MET  71  -4.521  -4.855   5.540
  332   2HB   MET  71          2HB       MET  71  -3.131  -5.313   6.480
  333   1HG   MET  71          1HG       MET  71  -1.814  -5.893   4.698
  334   2HG   MET  71          2HG       MET  71  -3.091  -5.752   3.511
  335   1HE   MET  71          1HE       MET  71  -0.028  -4.546   3.996
  336   2HE   MET  71          2HE       MET  71  -0.941  -4.635   2.501
  337   3HE   MET  71          3HE       MET  71  -0.226  -3.077   3.020
  338    HA   PRO  72           HA       PRO  72  -1.705 -10.163   6.446
  339   1HB   PRO  72          2HB       PRO  72  -0.852 -11.405   4.144
  340   2HB   PRO  72          3HB       PRO  72  -2.339 -11.738   5.061
  341   1HG   PRO  72          2HG       PRO  72  -1.960 -10.147   2.510
  342   2HG   PRO  72          3HG       PRO  72  -3.342 -11.190   2.939
  343   1HD   PRO  72          2HD       PRO  72  -3.229  -8.378   3.161
  344   2HD   PRO  72          3HD       PRO  72  -4.392  -9.421   4.018
  345    H    GLY  73           H        GLY  73   0.148  -9.404   7.098
  346   1HA   GLY  73          1HA       GLY  73   1.680  -7.546   5.743
  347   2HA   GLY  73          2HA       GLY  73   2.300  -8.520   7.129
  348    H    GLY  74           H        GLY  74   3.353  -7.308   4.640
  349   1HA   GLY  74          1HA       GLY  74   5.338  -7.976   3.479
  350   2HA   GLY  74          2HA       GLY  74   5.062  -9.651   3.968
  351    H    ILE  75           H        ILE  75   2.693  -7.588   2.406
  352    HA   ILE  75           HA       ILE  75   2.051  -9.462   0.358
  353    HB   ILE  75           HB       ILE  75   1.198  -6.800   1.334
  354   1HG1  ILE  75          2HG1      ILE  75   0.065  -8.942   1.712
  355   2HG1  ILE  75          3HG1      ILE  75  -0.952  -7.629   1.114
  356   1HG2  ILE  75          1HG2      ILE  75   0.031  -6.072  -0.666
  357   2HG2  ILE  75          2HG2      ILE  75   1.745  -6.114  -1.054
  358   3HG2  ILE  75          3HG2      ILE  75   0.681  -7.394  -1.626
  359   1HD1  ILE  75          1HD1      ILE  75  -1.558  -9.784   0.125
  360   2HD1  ILE  75          2HD1      ILE  75  -0.991  -8.699  -1.139
  361   3HD1  ILE  75          3HD1      ILE  75   0.066  -9.992  -0.540
  362    H    ALA  76           H        ALA  76   3.858  -6.386   0.219
  363    HA   ALA  76           HA       ALA  76   5.445  -7.390  -2.098
  364   1HB   ALA  76          1HB       ALA  76   4.491  -5.203  -2.545
  365   2HB   ALA  76          2HB       ALA  76   4.963  -4.616  -0.942
  366   3HB   ALA  76          3HB       ALA  76   6.208  -4.969  -2.146
  367    H    LYS  77           H        LYS  77   7.777  -7.214  -1.897
  368    HA   LYS  77           HA       LYS  77   8.932  -6.800   0.796
  369   1HB   LYS  77          2HB       LYS  77   8.953  -9.366  -0.791
  370   2HB   LYS  77          3HB       LYS  77  10.284  -8.996   0.312
  371   1HG   LYS  77          2HG       LYS  77   8.858  -8.863   2.220
  372   2HG   LYS  77          3HG       LYS  77   7.391  -9.030   1.264
  373   1HD   LYS  77          2HD       LYS  77   9.527 -11.211   1.536
  374   2HD   LYS  77          3HD       LYS  77   8.064 -11.063   2.506
  375   1HE   LYS  77          2HE       LYS  77   7.243 -12.521   0.950
  376   2HE   LYS  77          3HE       LYS  77   6.784 -10.994   0.199
  377   1HZ   LYS  77          1HZ       LYS  77   7.754 -12.313  -1.437
  378   2HZ   LYS  77          2HZ       LYS  77   8.935 -11.234  -1.073
  379   3HZ   LYS  77          3HZ       LYS  77   9.025 -12.771  -0.499
  380    H    GLY  78           H        GLY  78  11.152  -6.311   0.716
  381   1HA   GLY  78          1HA       GLY  78  13.087  -5.462  -0.224
  382   2HA   GLY  78          2HA       GLY  78  12.650  -6.221  -1.767
  383    H    ALA  79           H        ALA  79  13.494  -4.135  -2.605
  384    HA   ALA  79           HA       ALA  79  12.511  -1.618  -2.228
  385   1HB   ALA  79          1HB       ALA  79  14.381  -2.163  -3.732
  386   2HB   ALA  79          2HB       ALA  79  13.240  -2.854  -4.913
  387   3HB   ALA  79          3HB       ALA  79  13.186  -1.122  -4.525
  388    H    GLU  80           H        GLU  80  10.863  -4.249  -3.898
  389    HA   GLU  80           HA       GLU  80   8.862  -3.078  -5.376
  390   1HB   GLU  80          2HB       GLU  80   9.291  -5.511  -5.027
  391   2HB   GLU  80          3HB       GLU  80   8.560  -5.395  -3.413
  392   1HG   GLU  80          2HG       GLU  80   6.422  -4.844  -4.345
  393   2HG   GLU  80          3HG       GLU  80   7.117  -4.677  -5.965
  394    H    ALA  81           H        ALA  81   8.880  -3.632  -1.817
  395    HA   ALA  81           HA       ALA  81   6.309  -2.360  -1.359
  396   1HB   ALA  81          1HB       ALA  81   8.559  -3.045   0.584
  397   2HB   ALA  81          2HB       ALA  81   6.890  -2.603   1.007
  398   3HB   ALA  81          3HB       ALA  81   7.214  -4.112   0.137
  399    H    GLU  82           H        GLU  82   9.720  -1.382  -1.019
  400    HA   GLU  82           HA       GLU  82   9.364   1.080   0.290
  401   1HB   GLU  82          2HB       GLU  82  11.514   0.362  -1.752
  402   2HB   GLU  82          3HB       GLU  82  11.605   1.612  -0.526
  403   1HG   GLU  82          2HG       GLU  82  11.517  -0.062   1.270
  404   2HG   GLU  82          3HG       GLU  82  11.373  -1.377   0.096
  405    H    ALA  83           H        ALA  83   9.627   0.415  -3.220
  406    HA   ALA  83           HA       ALA  83   9.254   3.033  -4.203
  407   1HB   ALA  83          1HB       ALA  83   8.014   1.394  -6.077
  408   2HB   ALA  83          2HB       ALA  83   9.747   1.747  -5.998
  409   3HB   ALA  83          3HB       ALA  83   9.092   0.269  -5.263
  410    H    VAL  84           H        VAL  84   6.785   0.474  -3.550
  411    HA   VAL  84           HA       VAL  84   4.551   2.062  -4.269
  412    HB   VAL  84           HB       VAL  84   4.778  -0.199  -2.232
  413   1HG1  VAL  84          1HG1      VAL  84   2.247  -0.253  -2.620
  414   2HG1  VAL  84          2HG1      VAL  84   2.842   1.056  -1.582
  415   3HG1  VAL  84          3HG1      VAL  84   2.407   1.399  -3.258
  416   1HG2  VAL  84          1HG2      VAL  84   3.781  -0.017  -5.104
  417   2HG2  VAL  84          2HG2      VAL  84   5.233  -0.851  -4.566
  418   3HG2  VAL  84          3HG2      VAL  84   3.643  -1.450  -4.057
  419    H    ALA  85           H        ALA  85   6.013   1.599  -1.036
  420    HA   ALA  85           HA       ALA  85   4.389   3.340   0.386
  421   1HB   ALA  85          1HB       ALA  85   6.272   1.779   1.211
  422   2HB   ALA  85          2HB       ALA  85   7.361   3.160   0.958
  423   3HB   ALA  85          3HB       ALA  85   5.984   3.304   2.067
  424    H    ALA  86           H        ALA  86   7.460   4.180  -1.259
  425    HA   ALA  86           HA       ALA  86   7.488   6.967  -0.663
  426   1HB   ALA  86          1HB       ALA  86   8.937   7.097  -2.730
  427   2HB   ALA  86          2HB       ALA  86   9.464   5.940  -1.493
  428   3HB   ALA  86          3HB       ALA  86   8.649   5.359  -2.960
  429    H    TRP  87           H        TRP  87   6.107   5.211  -3.467
  430    HA   TRP  87           HA       TRP  87   5.132   7.545  -4.798
  431   1HB   TRP  87          2HB       TRP  87   5.495   5.431  -5.888
  432   2HB   TRP  87          3HB       TRP  87   4.329   4.631  -4.836
  433    HD1  TRP  87           HD1      TRP  87   4.275   7.461  -7.496
  434    HE1  TRP  87           HE1      TRP  87   2.200   7.061  -8.989
  435    HE3  TRP  87           HE3      TRP  87   2.221   3.426  -5.097
  436    HZ2  TRP  87           HZ2      TRP  87  -0.239   5.566  -8.863
  437    HZ3  TRP  87           HZ3      TRP  87  -0.044   2.678  -5.707
  438    HH2  TRP  87           HH2      TRP  87  -1.207   3.599  -7.660
  439    H    LEU  88           H        LEU  88   3.583   5.318  -2.465
  440    HA   LEU  88           HA       LEU  88   1.030   6.640  -2.386
  441   1HB   LEU  88          2HB       LEU  88   2.490   4.664  -0.620
  442   2HB   LEU  88          3HB       LEU  88   1.037   5.444  -0.039
  443    HG   LEU  88           HG       LEU  88   1.109   3.088  -1.453
  444   1HD1  LEU  88          1HD1      LEU  88  -1.392   3.422  -1.627
  445   2HD1  LEU  88          2HD1      LEU  88  -0.756   3.755   0.010
  446   3HD1  LEU  88          3HD1      LEU  88  -1.169   5.093  -1.093
  447   1HD2  LEU  88          1HD2      LEU  88   1.481   4.465  -3.482
  448   2HD2  LEU  88          2HD2      LEU  88   0.127   3.306  -3.516
  449   3HD2  LEU  88          3HD2      LEU  88  -0.190   5.046  -3.345
  450    H    ALA  89           H        ALA  89   4.051   7.197  -0.609
  451    HA   ALA  89           HA       ALA  89   2.997   9.158   1.193
  452   1HB   ALA  89          1HB       ALA  89   5.125   8.111   1.560
  453   2HB   ALA  89          2HB       ALA  89   5.800   8.835   0.083
  454   3HB   ALA  89          3HB       ALA  89   5.328   9.872   1.434
  455    H    GLU  90           H        GLU  90   4.484   9.345  -2.061
  456    HA   GLU  90           HA       GLU  90   4.219  12.151  -2.378
  457   1HB   GLU  90          2HB       GLU  90   5.591  10.534  -3.746
  458   2HB   GLU  90          3HB       GLU  90   4.121  10.058  -4.594
  459   1HG   GLU  90          2HG       GLU  90   4.570  13.002  -4.503
  460   2HG   GLU  90          3HG       GLU  90   5.859  12.094  -5.302
  461    H    LYS  91           H        LYS  91   1.898   9.462  -2.908
  462    HA   LYS  91           HA       LYS  91  -0.075  11.201  -4.137
  463   1HB   LYS  91          2HB       LYS  91  -0.492   8.460  -2.887
  464   2HB   LYS  91          3HB       LYS  91  -1.595   9.397  -3.908
  465   1HG   LYS  91          2HG       LYS  91   0.779   9.287  -5.419
  466   2HG   LYS  91          3HG       LYS  91   0.688   7.690  -4.689
  467   1HD   LYS  91          2HD       LYS  91  -1.440   9.024  -6.422
  468   2HD   LYS  91          3HD       LYS  91  -0.336   7.737  -6.872
  469   1HE   LYS  91          2HE       LYS  91  -2.300   6.596  -6.496
  470   2HE   LYS  91          3HE       LYS  91  -1.399   6.292  -5.013
  471   1HZ   LYS  91          1HZ       LYS  91  -2.852   7.762  -3.838
  472   2HZ   LYS  91          2HZ       LYS  91  -3.368   8.481  -5.212
  473   3HZ   LYS  91          3HZ       LYS  91  -3.839   6.951  -4.872
  474    H    LYS  92           H        LYS  92  -2.151  11.827  -3.232
  475    HA   LYS  92           HA       LYS  92  -2.671  11.746  -0.438
  476   1HB   LYS  92          2HB       LYS  92  -1.717  14.296  -1.781
  477   2HB   LYS  92          3HB       LYS  92  -2.932  14.327  -0.485
  478   1HG   LYS  92          2HG       LYS  92  -1.362  12.988   0.953
  479   2HG   LYS  92          3HG       LYS  92  -0.125  13.170  -0.289
  480   1HD   LYS  92          2HD       LYS  92  -1.168  15.792   0.222
  481   2HD   LYS  92          3HD       LYS  92  -0.946  15.018   1.800
  482   1HE   LYS  92          2HE       LYS  92   1.407  14.346   1.040
  483   2HE   LYS  92          3HE       LYS  92   1.137  15.316  -0.421
  484   1HZ   LYS  92          1HZ       LYS  92   2.310  16.566   1.203
  485   2HZ   LYS  92          2HZ       LYS  92   0.808  17.227   1.057
  486   3HZ   LYS  92          3HZ       LYS  92   1.178  16.283   2.361
  487    HHA  HEC  93           HHA      HEC  93  -5.053  -0.406   6.442
  488    HHB  HEC  93           HHB      HEC  93  -0.662   0.838   1.960
  489    HHC  HEC  93           HHC      HEC  93  -1.865  -4.986  -0.643
  490    HHD  HEC  93           HHD      HEC  93  -6.984  -5.581   3.141
  491   1HMA  HEC  93          1HMA      HEC  93  -0.148   2.017   4.406
  492   2HMA  HEC  93          2HMA      HEC  93  -1.158   2.838   3.193
  493   3HMA  HEC  93          3HMA      HEC  93  -1.428   3.125   4.907
  494   1HAA  HEC  93          1HAA      HEC  93  -2.799   2.595   6.509
  495   2HAA  HEC  93          2HAA      HEC  93  -3.547   1.185   7.208
  496   1HBA  HEC  93          1HBA      HEC  93  -5.422   1.830   5.279
  497   2HBA  HEC  93          2HBA      HEC  93  -4.788   3.421   5.666
  498   1HMB  HEC  93          1HMB      HEC  93   1.325  -0.488  -0.664
  499   2HMB  HEC  93          2HMB      HEC  93  -0.102   0.227  -1.439
  500   3HMB  HEC  93          3HMB      HEC  93   0.422   0.770   0.145
  501    HAB  HEC  93           HAB      HEC  93  -0.355  -4.063  -1.793
  502   1HBB  HEC  93          1HBB      HEC  93   2.092  -2.392  -1.177
  503   2HBB  HEC  93          2HBB      HEC  93   1.670  -3.949  -0.455
  504   3HBB  HEC  93          3HBB      HEC  93   1.977  -3.822  -2.200
  505   1HMC  HEC  93          1HMC      HEC  93  -3.971  -6.471  -1.694
  506   2HMC  HEC  93          2HMC      HEC  93  -2.629  -7.149  -0.740
  507   3HMC  HEC  93          3HMC      HEC  93  -4.197  -7.948  -0.736
  508    HAC  HEC  93           HAC      HEC  93  -7.217  -6.968   1.568
  509   1HBC  HEC  93          1HBC      HEC  93  -5.894  -8.621   2.583
  510   2HBC  HEC  93          2HBC      HEC  93  -6.711  -9.366   1.203
  511   3HBC  HEC  93          3HBC      HEC  93  -4.985  -8.960   1.094
  512   1HMD  HEC  93          1HMD      HEC  93  -9.103  -3.994   5.364
  513   2HMD  HEC  93          2HMD      HEC  93  -8.253  -5.456   4.854
  514   3HMD  HEC  93          3HMD      HEC  93  -8.082  -4.883   6.504
  515   1HAD  HEC  93          1HAD      HEC  93  -8.245  -2.220   7.113
  516   2HAD  HEC  93          2HAD      HEC  93  -6.923  -1.087   7.314
  517   1HBD  HEC  93          1HBD      HEC  93  -5.550  -3.065   8.173
  518   2HBD  HEC  93          2HBD      HEC  93  -7.065  -3.961   8.283
  Start of MODEL   12
    1   1H    VAL  22          H1        VAL  22  12.548  -0.632 -10.892
    2   2H    VAL  22          H2        VAL  22  13.096  -0.348  -9.393
    3   3H    VAL  22          H3        VAL  22  13.457  -1.806 -10.118
    4    HA   VAL  22           HA       VAL  22  11.264  -2.534  -9.980
    5    HB   VAL  22           HB       VAL  22  12.442  -1.263  -7.554
    6   1HG1  VAL  22          1HG1      VAL  22   9.502  -1.943  -7.372
    7   2HG1  VAL  22          2HG1      VAL  22  10.596  -1.402  -6.097
    8   3HG1  VAL  22          3HG1      VAL  22  10.149  -0.275  -7.354
    9   1HG2  VAL  22          1HG2      VAL  22  11.854  -3.458  -6.577
   10   2HG2  VAL  22          2HG2      VAL  22  10.934  -3.878  -8.018
   11   3HG2  VAL  22          3HG2      VAL  22  12.697  -3.664  -8.126
   12    H    ASP  23           H        ASP  23   8.929  -1.945  -9.533
   13    HA   ASP  23           HA       ASP  23   8.391   0.857 -10.363
   14   1HB   ASP  23          2HB       ASP  23   7.672  -1.484 -11.807
   15   2HB   ASP  23          3HB       ASP  23   6.237  -1.063 -10.850
   16    H    ALA  24           H        ALA  24   6.357   1.621  -9.559
   17    HA   ALA  24           HA       ALA  24   5.700   0.498  -6.824
   18   1HB   ALA  24          1HB       ALA  24   5.526   3.366  -7.846
   19   2HB   ALA  24          2HB       ALA  24   4.831   2.763  -6.329
   20   3HB   ALA  24          3HB       ALA  24   6.590   2.731  -6.576
   21    H    GLU  25           H        GLU  25   4.261   2.513  -9.403
   22    HA   GLU  25           HA       GLU  25   1.607   1.883  -8.940
   23   1HB   GLU  25          2HB       GLU  25   1.297   2.432 -11.411
   24   2HB   GLU  25          3HB       GLU  25   1.949   3.682 -10.353
   25   1HG   GLU  25          2HG       GLU  25   4.178   3.403 -11.175
   26   2HG   GLU  25          3HG       GLU  25   3.717   1.962 -12.098
   27    H    ALA  26           H        ALA  26   3.872   0.140 -11.160
   28    HA   ALA  26           HA       ALA  26   1.948  -1.687 -12.092
   29   1HB   ALA  26          1HB       ALA  26   4.315  -1.355 -12.979
   30   2HB   ALA  26          2HB       ALA  26   4.845  -2.464 -11.686
   31   3HB   ALA  26          3HB       ALA  26   3.708  -3.023 -12.909
   32    H    VAL  27           H        VAL  27   4.042  -1.912  -9.193
   33    HA   VAL  27           HA       VAL  27   3.239  -4.580  -8.438
   34    HB   VAL  27           HB       VAL  27   4.298  -2.218  -6.795
   35   1HG1  VAL  27          1HG1      VAL  27   4.029  -5.134  -5.980
   36   2HG1  VAL  27          2HG1      VAL  27   4.860  -3.875  -5.055
   37   3HG1  VAL  27          3HG1      VAL  27   3.115  -3.783  -5.287
   38   1HG2  VAL  27          1HG2      VAL  27   5.854  -3.117  -8.552
   39   2HG2  VAL  27          2HG2      VAL  27   6.434  -3.312  -6.896
   40   3HG2  VAL  27          3HG2      VAL  27   5.752  -4.707  -7.768
   41    H    VAL  28           H        VAL  28   2.118  -1.306  -7.391
   42    HA   VAL  28           HA       VAL  28   0.112  -2.284  -5.679
   43    HB   VAL  28           HB       VAL  28   0.254   0.280  -7.307
   44   1HG1  VAL  28          1HG1      VAL  28  -1.493   1.220  -6.244
   45   2HG1  VAL  28          2HG1      VAL  28  -2.100  -0.425  -6.196
   46   3HG1  VAL  28          3HG1      VAL  28  -1.327   0.255  -4.766
   47   1HG2  VAL  28          1HG2      VAL  28   1.954   0.725  -5.877
   48   2HG2  VAL  28          2HG2      VAL  28   0.761   0.835  -4.586
   49   3HG2  VAL  28          3HG2      VAL  28   1.592  -0.689  -4.873
   50    H    GLN  29           H        GLN  29  -0.121  -1.391  -9.071
   51    HA   GLN  29           HA       GLN  29  -2.771  -2.024  -9.652
   52   1HB   GLN  29          2HB       GLN  29  -0.257  -2.049 -11.304
   53   2HB   GLN  29          3HB       GLN  29  -1.828  -2.437 -11.992
   54   1HG   GLN  29          2HG       GLN  29  -1.372   0.165 -10.460
   55   2HG   GLN  29          3HG       GLN  29  -1.028  -0.009 -12.181
   56   1HE2  GLN  29          1HE2      GLN  29  -3.581   0.416  -9.806
   57   2HE2  GLN  29          2HE2      GLN  29  -4.886   0.451 -10.960
   58    H    GLN  30           H        GLN  30  -0.191  -4.276  -8.803
   59    HA   GLN  30           HA       GLN  30  -2.156  -6.410  -9.345
   60   1HB   GLN  30          2HB       GLN  30  -0.136  -6.201 -11.097
   61   2HB   GLN  30          3HB       GLN  30   0.758  -7.012  -9.802
   62   1HG   GLN  30          2HG       GLN  30  -1.479  -8.534  -9.779
   63   2HG   GLN  30          3HG       GLN  30  -1.624  -7.914 -11.431
   64   1HE2  GLN  30          1HE2      GLN  30  -1.475 -10.616 -10.978
   65   2HE2  GLN  30          2HE2      GLN  30   0.099 -11.226 -11.459
   66    H    LYS  31           H        LYS  31  -1.453  -4.982  -6.860
   67    HA   LYS  31           HA       LYS  31  -1.331  -7.455  -5.289
   68   1HB   LYS  31          2HB       LYS  31   1.019  -5.621  -5.334
   69   2HB   LYS  31          3HB       LYS  31   0.393  -5.941  -3.731
   70   1HG   LYS  31          2HG       LYS  31   0.702  -8.246  -3.867
   71   2HG   LYS  31          3HG       LYS  31   0.871  -8.261  -5.608
   72   1HD   LYS  31          2HD       LYS  31   2.919  -6.645  -4.145
   73   2HD   LYS  31          3HD       LYS  31   2.959  -8.397  -3.883
   74   1HE   LYS  31          2HE       LYS  31   2.987  -8.799  -6.338
   75   2HE   LYS  31          3HE       LYS  31   2.994  -7.060  -6.635
   76   1HZ   LYS  31          1HZ       LYS  31   5.186  -8.036  -6.766
   77   2HZ   LYS  31          2HZ       LYS  31   5.154  -6.983  -5.513
   78   3HZ   LYS  31          3HZ       LYS  31   5.094  -8.603  -5.230
   79    H    CYS  32           H        CYS  32  -1.326  -3.843  -5.038
   80    HA   CYS  32           HA       CYS  32  -2.724  -4.089  -2.505
   81   1HB   CYS  32          2HB       CYS  32  -2.439  -1.533  -4.041
   82   2HB   CYS  32          3HB       CYS  32  -2.562  -1.786  -2.299
   83    H    ILE  33           H        ILE  33  -3.578  -2.949  -5.732
   84    HA   ILE  33           HA       ILE  33  -6.256  -2.279  -5.236
   85    HB   ILE  33           HB       ILE  33  -6.636  -2.638  -7.604
   86   1HG1  ILE  33          2HG1      ILE  33  -4.132  -3.268  -8.657
   87   2HG1  ILE  33          3HG1      ILE  33  -4.362  -4.495  -7.434
   88   1HG2  ILE  33          1HG2      ILE  33  -5.515  -0.579  -6.825
   89   2HG2  ILE  33          2HG2      ILE  33  -3.934  -1.343  -7.082
   90   3HG2  ILE  33          3HG2      ILE  33  -4.998  -1.040  -8.458
   91   1HD1  ILE  33          1HD1      ILE  33  -6.244  -3.769  -9.723
   92   2HD1  ILE  33          2HD1      ILE  33  -5.257  -5.236  -9.584
   93   3HD1  ILE  33          3HD1      ILE  33  -6.622  -4.980  -8.475
   94    H    SER  34           H        SER  34  -4.796  -5.447  -5.501
   95    HA   SER  34           HA       SER  34  -6.896  -7.116  -6.130
   96   1HB   SER  34          2HB       SER  34  -4.447  -7.702  -5.571
   97   2HB   SER  34          3HB       SER  34  -4.957  -7.723  -3.871
   98    HG   SER  34           HG       SER  34  -6.644  -9.236  -4.656
   99    H    CYS  35           H        CYS  35  -6.448  -5.260  -3.153
  100    HA   CYS  35           HA       CYS  35  -9.175  -6.162  -2.283
  101   1HB   CYS  35          2HB       CYS  35  -7.054  -5.123  -0.437
  102   2HB   CYS  35          3HB       CYS  35  -8.585  -5.906  -0.013
  103    H    HIS  36           HN       HIS  36  -6.763  -3.485  -2.347
  104    HA   HIS  36           HA       HIS  36  -8.592  -1.481  -1.392
  105   1HB   HIS  36          2HB       HIS  36  -5.853  -1.382  -2.709
  106   2HB   HIS  36          3HB       HIS  36  -6.731   0.037  -2.169
  107    HD1  HIS  36           HD1      HIS  36  -7.020   0.422   0.451
  108    HD2  HIS  36           HD2      HIS  36  -4.662  -2.855  -0.698
  109    HE1  HIS  36           1HE      HIS  36  -5.704  -0.251   2.508
  110    H    GLY  37           H        GLY  37  -8.542  -3.018  -4.424
  111   1HA   GLY  37          1HA       GLY  37 -10.622  -2.766  -5.481
  112   2HA   GLY  37          2HA       GLY  37 -10.542  -1.008  -5.337
  113    H    GLY  38           H        GLY  38  -8.681   0.006  -6.487
  114   1HA   GLY  38          1HA       GLY  38  -7.518  -1.119  -8.898
  115   2HA   GLY  38          2HA       GLY  38  -9.072  -0.349  -9.232
  116    H    ASP  39           H        ASP  39  -9.258   1.712  -7.637
  117    HA   ASP  39           HA       ASP  39  -7.146   3.541  -8.612
  118   1HB   ASP  39          2HB       ASP  39 -10.056   3.915  -7.826
  119   2HB   ASP  39          3HB       ASP  39  -8.936   5.262  -8.054
  120    H    LEU  40           H        LEU  40  -7.564   1.811  -5.717
  121    HA   LEU  40           HA       LEU  40  -6.585   2.076  -3.772
  122   1HB   LEU  40          2HB       LEU  40  -5.749   4.928  -4.421
  123   2HB   LEU  40          3HB       LEU  40  -5.094   3.883  -3.212
  124    HG   LEU  40           HG       LEU  40  -4.840   3.256  -6.196
  125   1HD1  LEU  40          1HD1      LEU  40  -2.598   4.147  -6.071
  126   2HD1  LEU  40          2HD1      LEU  40  -3.799   5.398  -5.715
  127   3HD1  LEU  40          3HD1      LEU  40  -2.865   4.669  -4.390
  128   1HD2  LEU  40          1HD2      LEU  40  -2.749   2.185  -4.587
  129   2HD2  LEU  40          2HD2      LEU  40  -4.259   1.744  -3.792
  130   3HD2  LEU  40          3HD2      LEU  40  -4.006   1.302  -5.486
  131    H    THR  41           H        THR  41  -9.272   3.155  -4.770
  132    HA   THR  41           HA       THR  41 -10.078   5.308  -3.006
  133    HB   THR  41           HB       THR  41 -12.281   4.597  -4.302
  134    HG1  THR  41           1HG      THR  41 -11.713   3.466  -6.229
  135   1HG2  THR  41          1HG2      THR  41 -11.018   6.641  -4.839
  136   2HG2  THR  41          2HG2      THR  41  -9.826   5.701  -5.756
  137   3HG2  THR  41          3HG2      THR  41 -11.500   5.824  -6.336
  138    H    GLY  42           H        GLY  42  -9.766   1.867  -2.849
  139   1HA   GLY  42          1HA       GLY  42 -10.110   0.642  -0.959
  140   2HA   GLY  42          2HA       GLY  42 -11.283   1.796  -0.308
  141    H    ALA  43           H        ALA  43 -11.466  -1.055  -0.745
  142    HA   ALA  43           HA       ALA  43 -14.062  -1.236  -2.116
  143   1HB   ALA  43          1HB       ALA  43 -13.295  -3.127  -3.611
  144   2HB   ALA  43          2HB       ALA  43 -12.669  -1.530  -4.060
  145   3HB   ALA  43          3HB       ALA  43 -11.617  -2.685  -3.230
  146    H    SER  44           H        SER  44 -11.661  -3.790  -1.514
  147    HA   SER  44           HA       SER  44 -13.372  -4.987   0.604
  148   1HB   SER  44          2HB       SER  44 -11.382  -5.988  -1.365
  149   2HB   SER  44          3HB       SER  44 -11.167  -6.644   0.258
  150    HG   SER  44           HG       SER  44 -13.339  -7.282   0.228
  151    H    ALA  45           H        ALA  45 -11.292  -2.513   0.553
  152    HA   ALA  45           HA       ALA  45 -10.108  -2.958   3.158
  153   1HB   ALA  45          1HB       ALA  45  -8.388  -2.539   0.658
  154   2HB   ALA  45          2HB       ALA  45  -7.800  -2.821   2.294
  155   3HB   ALA  45          3HB       ALA  45  -8.616  -4.117   1.434
  156    HA   PRO  46           HA       PRO  46 -10.811   1.357   3.205
  157   1HB   PRO  46          2HB       PRO  46  -8.686   2.466   4.617
  158   2HB   PRO  46          3HB       PRO  46  -9.983   1.483   5.349
  159   1HG   PRO  46          2HG       PRO  46  -7.213   0.632   4.556
  160   2HG   PRO  46          3HG       PRO  46  -8.146   0.192   6.011
  161   1HD   PRO  46          2HD       PRO  46  -7.879  -1.383   3.799
  162   2HD   PRO  46          3HD       PRO  46  -9.325  -1.471   4.846
  163    H    ALA  47           H        ALA  47 -10.145   3.539   2.408
  164    HA   ALA  47           HA       ALA  47  -8.825   3.257  -0.149
  165   1HB   ALA  47          1HB       ALA  47  -9.425   5.565  -0.464
  166   2HB   ALA  47          2HB       ALA  47 -10.779   4.755   0.358
  167   3HB   ALA  47          3HB       ALA  47  -9.688   5.802   1.279
  168    H    ILE  48           H        ILE  48  -6.723   3.581  -0.614
  169    HA   ILE  48           HA       ILE  48  -4.969   4.911   1.416
  170    HB   ILE  48           HB       ILE  48  -3.083   3.637   0.566
  171   1HG1  ILE  48          2HG1      ILE  48  -5.093   1.953  -0.974
  172   2HG1  ILE  48          3HG1      ILE  48  -3.894   3.081  -1.647
  173   1HG2  ILE  48          1HG2      ILE  48  -5.413   2.065   1.720
  174   2HG2  ILE  48          2HG2      ILE  48  -3.717   1.555   1.760
  175   3HG2  ILE  48          3HG2      ILE  48  -4.213   3.016   2.610
  176   1HD1  ILE  48          1HD1      ILE  48  -2.948   0.915  -1.849
  177   2HD1  ILE  48          2HD1      ILE  48  -2.070   1.760  -0.562
  178   3HD1  ILE  48          3HD1      ILE  48  -3.282   0.517  -0.161
  179    H    ASP  49           H        ASP  49  -6.534   5.482  -1.415
  180    HA   ASP  49           HA       ASP  49  -5.139   7.005  -3.106
  181   1HB   ASP  49          2HB       ASP  49  -7.522   6.865  -3.110
  182   2HB   ASP  49          3HB       ASP  49  -7.658   7.612  -1.512
  183    H    LYS  50           H        LYS  50  -5.734   8.058   0.308
  184    HA   LYS  50           HA       LYS  50  -3.693  10.229  -0.040
  185   1HB   LYS  50          2HB       LYS  50  -6.392  10.195   1.309
  186   2HB   LYS  50          3HB       LYS  50  -5.120  11.143   2.058
  187   1HG   LYS  50          2HG       LYS  50  -6.402  12.553   0.627
  188   2HG   LYS  50          3HG       LYS  50  -4.737  12.453   0.054
  189   1HD   LYS  50          2HD       LYS  50  -5.272  11.289  -1.863
  190   2HD   LYS  50          3HD       LYS  50  -6.601  10.447  -1.075
  191   1HE   LYS  50          2HE       LYS  50  -6.897  13.404  -1.607
  192   2HE   LYS  50          3HE       LYS  50  -7.066  12.244  -2.935
  193   1HZ   LYS  50          1HZ       LYS  50  -8.578  11.973  -0.444
  194   2HZ   LYS  50          2HZ       LYS  50  -9.179  12.638  -1.840
  195   3HZ   LYS  50          3HZ       LYS  50  -8.659  11.064  -1.829
  196    H    ALA  51           H        ALA  51  -3.113   7.403   0.600
  197    HA   ALA  51           HA       ALA  51  -2.734   7.204   3.429
  198   1HB   ALA  51          1HB       ALA  51  -1.113   5.916   1.226
  199   2HB   ALA  51          2HB       ALA  51  -1.123   5.468   2.949
  200   3HB   ALA  51          3HB       ALA  51  -2.589   5.261   1.989
  201    H    GLY  52           H        GLY  52  -0.577   8.475   0.758
  202   1HA   GLY  52          1HA       GLY  52   1.627   9.137   2.320
  203   2HA   GLY  52          2HA       GLY  52   1.092  10.000   0.861
  204    H    ALA  53           H        ALA  53  -1.508  10.719   2.303
  205    HA   ALA  53           HA       ALA  53  -0.457  13.199   3.559
  206   1HB   ALA  53          1HB       ALA  53  -3.303  12.312   2.957
  207   2HB   ALA  53          2HB       ALA  53  -2.806  13.880   3.619
  208   3HB   ALA  53          3HB       ALA  53  -2.327  13.422   1.975
  209    H    ASN  54           H        ASN  54  -2.463  10.321   4.298
  210    HA   ASN  54           HA       ASN  54  -3.024  10.982   7.020
  211   1HB   ASN  54          2HB       ASN  54  -2.996   8.383   5.445
  212   2HB   ASN  54          3HB       ASN  54  -3.229   8.381   7.190
  213   1HD2  ASN  54          1HD2      ASN  54  -4.646   9.632   4.142
  214   2HD2  ASN  54          2HD2      ASN  54  -6.258   9.813   4.841
  215    H    TYR  55           H        TYR  55  -0.386   9.025   5.585
  216    HA   TYR  55           HA       TYR  55   1.080   9.009   8.170
  217   1HB   TYR  55          2HB       TYR  55   0.768   6.604   6.367
  218   2HB   TYR  55          3HB       TYR  55   1.385   6.651   8.012
  219    HD1  TYR  55           HD1      TYR  55  -1.109   5.267   6.244
  220    HD2  TYR  55           HD2      TYR  55  -0.641   7.874   9.648
  221    HE1  TYR  55           HE1      TYR  55  -3.309   4.548   7.108
  222    HE2  TYR  55           HE2      TYR  55  -2.866   7.164  10.484
  223    HH   TYR  55           HH       TYR  55  -4.720   4.531   8.943
  224    H    SER  56           H        SER  56   3.434   8.590   7.837
  225    HA   SER  56           HA       SER  56   4.399   9.725   5.317
  226   1HB   SER  56          2HB       SER  56   6.590   9.393   6.775
  227   2HB   SER  56          3HB       SER  56   5.415  10.647   7.187
  228    HG   SER  56           HG       SER  56   6.094   8.499   8.683
  229    H    GLU  57           H        GLU  57   6.405   8.673   4.372
  230    HA   GLU  57           HA       GLU  57   5.790   6.160   3.297
  231   1HB   GLU  57          2HB       GLU  57   8.096   6.064   2.541
  232   2HB   GLU  57          3HB       GLU  57   7.269   7.546   2.086
  233   1HG   GLU  57          2HG       GLU  57   9.029   7.507   4.539
  234   2HG   GLU  57          3HG       GLU  57   9.687   7.607   2.911
  235    H    GLU  58           H        GLU  58   7.741   6.960   6.195
  236    HA   GLU  58           HA       GLU  58   8.715   4.345   6.645
  237   1HB   GLU  58          2HB       GLU  58   8.951   5.020   9.011
  238   2HB   GLU  58          3HB       GLU  58   9.700   6.124   7.859
  239   1HG   GLU  58          2HG       GLU  58   7.877   7.732   8.122
  240   2HG   GLU  58          3HG       GLU  58   7.037   6.627   9.243
  241    H    GLU  59           H        GLU  59   5.600   5.831   7.683
  242    HA   GLU  59           HA       GLU  59   4.821   3.567   9.314
  243   1HB   GLU  59          2HB       GLU  59   3.447   6.018   8.196
  244   2HB   GLU  59          3HB       GLU  59   2.554   4.787   9.117
  245   1HG   GLU  59          2HG       GLU  59   5.011   6.192  10.246
  246   2HG   GLU  59          3HG       GLU  59   3.365   6.807  10.436
  247    H    ILE  60           H        ILE  60   4.087   4.807   6.047
  248    HA   ILE  60           HA       ILE  60   2.144   2.851   5.376
  249    HB   ILE  60           HB       ILE  60   3.976   4.516   3.634
  250   1HG1  ILE  60          2HG1      ILE  60   1.089   4.732   4.598
  251   2HG1  ILE  60          3HG1      ILE  60   2.432   5.730   5.065
  252   1HG2  ILE  60          1HG2      ILE  60   2.451   3.947   1.763
  253   2HG2  ILE  60          2HG2      ILE  60   3.222   2.501   2.382
  254   3HG2  ILE  60          3HG2      ILE  60   1.541   2.851   2.824
  255   1HD1  ILE  60          1HD1      ILE  60   1.221   6.977   3.473
  256   2HD1  ILE  60          2HD1      ILE  60   2.665   6.437   2.607
  257   3HD1  ILE  60          3HD1      ILE  60   1.098   5.609   2.351
  258    H    LEU  61           H        LEU  61   5.685   2.998   4.866
  259    HA   LEU  61           HA       LEU  61   5.912   0.571   3.476
  260   1HB   LEU  61          2HB       LEU  61   7.707   2.256   3.542
  261   2HB   LEU  61          3HB       LEU  61   7.939   1.976   5.273
  262    HG   LEU  61           HG       LEU  61   8.716  -0.307   4.841
  263   1HD1  LEU  61          1HD1      LEU  61   9.096  -1.011   2.422
  264   2HD1  LEU  61          2HD1      LEU  61   7.396  -0.969   2.896
  265   3HD1  LEU  61          3HD1      LEU  61   8.071   0.362   1.947
  266   1HD2  LEU  61          1HD2      LEU  61  10.035   1.720   2.986
  267   2HD2  LEU  61          2HD2      LEU  61  10.338   1.561   4.728
  268   3HD2  LEU  61          3HD2      LEU  61  10.788   0.244   3.627
  269    H    ASP  62           H        ASP  62   6.245   1.329   6.989
  270    HA   ASP  62           HA       ASP  62   6.692  -1.245   7.911
  271   1HB   ASP  62          2HB       ASP  62   6.231   1.191   9.147
  272   2HB   ASP  62          3HB       ASP  62   4.764   0.309   9.570
  273    H    ILE  63           H        ILE  63   3.490   0.321   7.309
  274    HA   ILE  63           HA       ILE  63   1.952  -1.992   7.930
  275    HB   ILE  63           HB       ILE  63   1.393   0.353   6.088
  276   1HG1  ILE  63          2HG1      ILE  63   0.144  -0.254   8.748
  277   2HG1  ILE  63          3HG1      ILE  63   1.685   0.602   8.626
  278   1HG2  ILE  63          1HG2      ILE  63  -1.079  -0.527   6.495
  279   2HG2  ILE  63          2HG2      ILE  63  -0.102  -1.270   5.220
  280   3HG2  ILE  63          3HG2      ILE  63  -0.296  -2.074   6.793
  281   1HD1  ILE  63          1HD1      ILE  63   0.758   2.398   7.354
  282   2HD1  ILE  63          2HD1      ILE  63  -0.792   1.559   7.183
  283   3HD1  ILE  63          3HD1      ILE  63  -0.275   2.144   8.774
  284    H    ILE  64           H        ILE  64   3.221  -1.008   4.684
  285    HA   ILE  64           HA       ILE  64   2.129  -3.242   3.305
  286    HB   ILE  64           HB       ILE  64   4.675  -1.684   2.761
  287   1HG1  ILE  64          2HG1      ILE  64   2.010  -1.495   1.309
  288   2HG1  ILE  64          3HG1      ILE  64   2.305  -0.528   2.749
  289   1HG2  ILE  64          1HG2      ILE  64   4.388  -2.582   0.406
  290   2HG2  ILE  64          2HG2      ILE  64   4.815  -3.827   1.577
  291   3HG2  ILE  64          3HG2      ILE  64   3.136  -3.669   1.031
  292   1HD1  ILE  64          1HD1      ILE  64   2.857   0.800   0.802
  293   2HD1  ILE  64          2HD1      ILE  64   4.313   0.456   1.741
  294   3HD1  ILE  64          3HD1      ILE  64   4.010  -0.418   0.231
  295    H    LEU  65           H        LEU  65   5.199  -2.932   5.090
  296    HA   LEU  65           HA       LEU  65   6.084  -5.617   4.489
  297   1HB   LEU  65          2HB       LEU  65   6.973  -3.557   6.538
  298   2HB   LEU  65          3HB       LEU  65   7.771  -5.102   6.272
  299    HG   LEU  65           HG       LEU  65   7.488  -2.853   4.227
  300   1HD1  LEU  65          1HD1      LEU  65   9.902  -2.599   4.490
  301   2HD1  LEU  65          2HD1      LEU  65   9.112  -2.435   6.068
  302   3HD1  LEU  65          3HD1      LEU  65   9.948  -3.945   5.648
  303   1HD2  LEU  65          1HD2      LEU  65   7.495  -4.886   2.943
  304   2HD2  LEU  65          2HD2      LEU  65   9.123  -4.212   2.876
  305   3HD2  LEU  65          3HD2      LEU  65   8.788  -5.584   3.949
  306    H    ASN  66           H        ASN  66   3.964  -4.338   7.077
  307    HA   ASN  66           HA       ASN  66   4.407  -6.886   8.633
  308   1HB   ASN  66          2HB       ASN  66   4.165  -4.036   9.692
  309   2HB   ASN  66          3HB       ASN  66   4.163  -5.498  10.676
  310   1HD2  ASN  66          1HD2      ASN  66   6.222  -3.084  10.311
  311   2HD2  ASN  66          2HD2      ASN  66   7.714  -3.965  10.120
  312    H    GLY  67           H        GLY  67   2.563  -5.955   6.664
  313   1HA   GLY  67          1HA       GLY  67   0.394  -5.250   6.180
  314   2HA   GLY  67          2HA       GLY  67   0.018  -6.783   6.817
  315    H    GLN  68           H        GLN  68  -1.926  -6.198   8.050
  316    HA   GLN  68           HA       GLN  68  -1.962  -4.718  10.423
  317   1HB   GLN  68          2HB       GLN  68  -1.437  -2.673   9.359
  318   2HB   GLN  68          3HB       GLN  68  -2.481  -2.998   7.968
  319   1HG   GLN  68          2HG       GLN  68  -4.349  -2.376   9.064
  320   2HG   GLN  68          3HG       GLN  68  -3.745  -2.712  10.699
  321   1HE2  GLN  68          1HE2      GLN  68  -5.168  -0.373   9.736
  322   2HE2  GLN  68          2HE2      GLN  68  -4.086   1.014   9.906
  323    H    GLY  69           H        GLY  69  -4.072  -5.102  11.437
  324   1HA   GLY  69          1HA       GLY  69  -5.734  -6.633  11.679
  325   2HA   GLY  69          2HA       GLY  69  -6.512  -5.504  10.571
  326    H    GLY  70           H        GLY  70  -7.333  -6.371   8.741
  327   1HA   GLY  70          1HA       GLY  70  -7.167  -9.201   8.192
  328   2HA   GLY  70          2HA       GLY  70  -7.993  -7.969   7.228
  329    H    MET  71           H        MET  71  -5.273  -6.475   7.144
  330    HA   MET  71           HA       MET  71  -4.485  -7.411   4.559
  331   1HB   MET  71          1HB       MET  71  -4.482  -5.045   5.435
  332   2HB   MET  71          2HB       MET  71  -3.070  -5.436   6.380
  333   1HG   MET  71          1HG       MET  71  -1.750  -5.991   4.585
  334   2HG   MET  71          2HG       MET  71  -3.039  -5.859   3.405
  335   1HE   MET  71          1HE       MET  71  -0.841  -4.669   2.496
  336   2HE   MET  71          2HE       MET  71  -0.205  -3.085   3.045
  337   3HE   MET  71          3HE       MET  71   0.007  -4.547   4.039
  338    HA   PRO  72           HA       PRO  72  -1.537 -10.267   6.526
  339   1HB   PRO  72          2HB       PRO  72  -0.683 -11.614   4.288
  340   2HB   PRO  72          3HB       PRO  72  -2.189 -11.887   5.203
  341   1HG   PRO  72          2HG       PRO  72  -1.751 -10.400   2.593
  342   2HG   PRO  72          3HG       PRO  72  -3.147 -11.418   3.036
  343   1HD   PRO  72          2HD       PRO  72  -3.038  -8.598   3.178
  344   2HD   PRO  72          3HD       PRO  72  -4.200  -9.591   4.045
  345    H    GLY  73           H        GLY  73   0.312  -9.497   7.159
  346   1HA   GLY  73          1HA       GLY  73   1.805  -7.656   5.827
  347   2HA   GLY  73          2HA       GLY  73   2.480  -8.626   7.184
  348    H    GLY  74           H        GLY  74   3.409  -7.295   4.665
  349   1HA   GLY  74          1HA       GLY  74   5.322  -7.769   3.370
  350   2HA   GLY  74          2HA       GLY  74   5.281  -9.449   3.928
  351    H    ILE  75           H        ILE  75   2.657  -7.647   2.407
  352    HA   ILE  75           HA       ILE  75   2.035  -9.558   0.388
  353    HB   ILE  75           HB       ILE  75   1.235  -6.808   1.245
  354   1HG1  ILE  75          2HG1      ILE  75  -0.535  -8.926   0.055
  355   2HG1  ILE  75          3HG1      ILE  75   0.152  -9.141   1.666
  356   1HG2  ILE  75          1HG2      ILE  75   0.691  -7.846  -1.626
  357   2HG2  ILE  75          2HG2      ILE  75  -0.085  -6.433  -0.919
  358   3HG2  ILE  75          3HG2      ILE  75   1.624  -6.388  -1.288
  359   1HD1  ILE  75          1HD1      ILE  75  -2.152  -7.897   1.365
  360   2HD1  ILE  75          2HD1      ILE  75  -0.972  -7.294   2.561
  361   3HD1  ILE  75          3HD1      ILE  75  -1.136  -6.503   1.003
  362    H    ALA  76           H        ALA  76   3.687  -6.384   0.063
  363    HA   ALA  76           HA       ALA  76   5.261  -7.435  -2.239
  364   1HB   ALA  76          1HB       ALA  76   4.248  -5.209  -2.554
  365   2HB   ALA  76          2HB       ALA  76   5.037  -4.631  -1.071
  366   3HB   ALA  76          3HB       ALA  76   6.018  -5.104  -2.472
  367    H    LYS  77           H        LYS  77   7.582  -7.368  -2.063
  368    HA   LYS  77           HA       LYS  77   8.866  -6.797   0.485
  369   1HB   LYS  77          2HB       LYS  77   8.909  -9.534  -0.886
  370   2HB   LYS  77          3HB       LYS  77  10.176  -8.992   0.226
  371   1HG   LYS  77          2HG       LYS  77   8.537  -8.724   2.039
  372   2HG   LYS  77          3HG       LYS  77   7.230  -9.248   0.957
  373   1HD   LYS  77          2HD       LYS  77   8.362 -11.413   0.605
  374   2HD   LYS  77          3HD       LYS  77   9.671 -10.922   1.706
  375   1HE   LYS  77          2HE       LYS  77   8.078 -10.736   3.579
  376   2HE   LYS  77          3HE       LYS  77   6.716 -11.072   2.495
  377   1HZ   LYS  77          1HZ       LYS  77   7.340 -13.000   3.727
  378   2HZ   LYS  77          2HZ       LYS  77   7.596 -13.254   2.124
  379   3HZ   LYS  77          3HZ       LYS  77   8.874 -12.969   3.129
  380    H    GLY  78           H        GLY  78  11.260  -6.725   0.029
  381   1HA   GLY  78          1HA       GLY  78  13.050  -6.138  -1.323
  382   2HA   GLY  78          2HA       GLY  78  12.113  -6.555  -2.770
  383    H    ALA  79           H        ALA  79  13.229  -4.474  -3.417
  384    HA   ALA  79           HA       ALA  79  12.655  -1.914  -2.368
  385   1HB   ALA  79          1HB       ALA  79  13.451  -2.925  -5.108
  386   2HB   ALA  79          2HB       ALA  79  13.089  -1.209  -4.823
  387   3HB   ALA  79          3HB       ALA  79  14.392  -2.004  -3.922
  388    H    GLU  80           H        GLU  80  10.576  -4.032  -4.406
  389    HA   GLU  80           HA       GLU  80   8.602  -2.342  -5.260
  390   1HB   GLU  80          2HB       GLU  80   8.451  -5.029  -3.848
  391   2HB   GLU  80          3HB       GLU  80   7.081  -4.219  -4.605
  392   1HG   GLU  80          2HG       GLU  80   7.692  -5.562  -6.301
  393   2HG   GLU  80          3HG       GLU  80   8.692  -4.171  -6.720
  394    H    ALA  81           H        ALA  81   8.846  -3.609  -1.870
  395    HA   ALA  81           HA       ALA  81   6.427  -2.292  -1.065
  396   1HB   ALA  81          1HB       ALA  81   8.786  -3.179   0.637
  397   2HB   ALA  81          2HB       ALA  81   7.170  -2.734   1.232
  398   3HB   ALA  81          3HB       ALA  81   7.368  -4.160   0.200
  399    H    GLU  82           H        GLU  82   9.848  -1.330  -0.772
  400    HA   GLU  82           HA       GLU  82   9.569   1.199   0.467
  401   1HB   GLU  82          2HB       GLU  82  11.599  -0.184  -1.264
  402   2HB   GLU  82          3HB       GLU  82  11.695   1.559  -1.212
  403   1HG   GLU  82          2HG       GLU  82  11.808   1.507   1.256
  404   2HG   GLU  82          3HG       GLU  82  11.701  -0.266   1.224
  405    H    ALA  83           H        ALA  83   9.846   0.518  -3.031
  406    HA   ALA  83           HA       ALA  83   9.457   3.141  -3.944
  407   1HB   ALA  83          1HB       ALA  83   8.741   0.506  -5.308
  408   2HB   ALA  83          2HB       ALA  83   8.941   2.079  -6.113
  409   3HB   ALA  83          3HB       ALA  83  10.331   1.303  -5.330
  410    H    VAL  84           H        VAL  84   7.073   0.513  -3.432
  411    HA   VAL  84           HA       VAL  84   4.755   1.912  -4.258
  412    HB   VAL  84           HB       VAL  84   5.185  -0.345  -2.274
  413   1HG1  VAL  84          1HG1      VAL  84   3.104   0.663  -1.624
  414   2HG1  VAL  84          2HG1      VAL  84   2.640   0.941  -3.305
  415   3HG1  VAL  84          3HG1      VAL  84   2.710  -0.721  -2.671
  416   1HG2  VAL  84          1HG2      VAL  84   3.945  -0.384  -5.060
  417   2HG2  VAL  84          2HG2      VAL  84   5.645  -0.743  -4.806
  418   3HG2  VAL  84          3HG2      VAL  84   4.421  -1.767  -4.053
  419    H    ALA  85           H        ALA  85   6.037   1.524  -0.907
  420    HA   ALA  85           HA       ALA  85   4.290   3.251   0.394
  421   1HB   ALA  85          1HB       ALA  85   7.274   3.034   1.015
  422   2HB   ALA  85          2HB       ALA  85   5.980   3.510   2.118
  423   3HB   ALA  85          3HB       ALA  85   6.059   1.843   1.504
  424    H    ALA  86           H        ALA  86   7.423   4.124  -1.081
  425    HA   ALA  86           HA       ALA  86   7.331   6.888  -0.406
  426   1HB   ALA  86          1HB       ALA  86   8.828   5.501  -2.670
  427   2HB   ALA  86          2HB       ALA  86   9.190   7.104  -1.988
  428   3HB   ALA  86          3HB       ALA  86   9.387   5.650  -0.990
  429    H    TRP  87           H        TRP  87   6.317   5.117  -3.329
  430    HA   TRP  87           HA       TRP  87   5.521   7.329  -4.922
  431   1HB   TRP  87          2HB       TRP  87   5.857   5.136  -5.807
  432   2HB   TRP  87          3HB       TRP  87   4.620   4.455  -4.753
  433    HD1  TRP  87           HD1      TRP  87   4.849   6.899  -7.731
  434    HE1  TRP  87           HE1      TRP  87   2.833   6.517  -9.240
  435    HE3  TRP  87           HE3      TRP  87   2.330   3.547  -4.827
  436    HZ2  TRP  87           HZ2      TRP  87   0.339   4.985  -9.151
  437    HZ3  TRP  87           HZ3      TRP  87   0.055   2.792  -5.467
  438    HH2  TRP  87           HH2      TRP  87  -0.893   3.403  -7.677
  439    H    LEU  88           H        LEU  88   3.665   5.225  -2.612
  440    HA   LEU  88           HA       LEU  88   1.363   6.918  -2.746
  441   1HB   LEU  88          2HB       LEU  88   2.221   4.710  -0.916
  442   2HB   LEU  88          3HB       LEU  88   1.019   5.844  -0.313
  443    HG   LEU  88           HG       LEU  88   0.241   5.207  -3.038
  444   1HD1  LEU  88          1HD1      LEU  88  -0.128   2.887  -2.933
  445   2HD1  LEU  88          2HD1      LEU  88   1.614   3.227  -2.777
  446   3HD1  LEU  88          3HD1      LEU  88   0.671   2.764  -1.334
  447   1HD2  LEU  88          1HD2      LEU  88  -1.207   5.933  -1.176
  448   2HD2  LEU  88          2HD2      LEU  88  -1.788   4.457  -1.974
  449   3HD2  LEU  88          3HD2      LEU  88  -0.973   4.339  -0.401
  450    H    ALA  89           H        ALA  89   4.300   7.257  -0.798
  451    HA   ALA  89           HA       ALA  89   3.313   9.363   0.801
  452   1HB   ALA  89          1HB       ALA  89   5.522   9.918   1.321
  453   2HB   ALA  89          2HB       ALA  89   5.448   8.160   1.100
  454   3HB   ALA  89          3HB       ALA  89   6.170   9.198  -0.157
  455    H    GLU  90           H        GLU  90   4.344   9.407  -2.659
  456    HA   GLU  90           HA       GLU  90   3.945  12.330  -2.716
  457   1HB   GLU  90          2HB       GLU  90   4.284  12.350  -5.003
  458   2HB   GLU  90          3HB       GLU  90   5.617  11.505  -4.217
  459   1HG   GLU  90          2HG       GLU  90   4.960   9.424  -5.064
  460   2HG   GLU  90          3HG       GLU  90   3.328   9.979  -5.517
  461    H    LYS  91           H        LYS  91   1.962   9.375  -3.296
  462    HA   LYS  91           HA       LYS  91  -0.063  10.927  -4.691
  463   1HB   LYS  91          2HB       LYS  91  -0.138   8.118  -3.569
  464   2HB   LYS  91          3HB       LYS  91  -1.429   8.833  -4.472
  465   1HG   LYS  91          2HG       LYS  91   0.554   9.410  -6.235
  466   2HG   LYS  91          3HG       LYS  91   1.349   8.093  -5.395
  467   1HD   LYS  91          2HD       LYS  91   0.291   7.092  -7.232
  468   2HD   LYS  91          3HD       LYS  91  -0.686   6.657  -5.830
  469   1HE   LYS  91          2HE       LYS  91  -2.300   7.211  -7.438
  470   2HE   LYS  91          3HE       LYS  91  -2.183   8.726  -6.541
  471   1HZ   LYS  91          1HZ       LYS  91  -2.148   9.086  -8.887
  472   2HZ   LYS  91          2HZ       LYS  91  -0.687   9.527  -8.272
  473   3HZ   LYS  91          3HZ       LYS  91  -0.846   8.108  -9.095
  474    H    LYS  92           H        LYS  92  -1.543  12.252  -3.884
  475    HA   LYS  92           HA       LYS  92  -2.631  12.048  -1.200
  476   1HB   LYS  92          2HB       LYS  92  -1.104  14.420  -2.366
  477   2HB   LYS  92          3HB       LYS  92  -2.142  14.527  -0.942
  478   1HG   LYS  92          2HG       LYS  92  -0.626  13.545   0.449
  479   2HG   LYS  92          3HG       LYS  92   0.026  12.463  -0.782
  480   1HD   LYS  92          2HD       LYS  92   1.259  14.214  -1.840
  481   2HD   LYS  92          3HD       LYS  92   0.549  15.456  -0.798
  482   1HE   LYS  92          2HE       LYS  92   1.915  14.982   0.974
  483   2HE   LYS  92          3HE       LYS  92   1.818  13.233   0.729
  484   1HZ   LYS  92          1HZ       LYS  92   4.023  14.212   0.369
  485   2HZ   LYS  92          2HZ       LYS  92   3.446  13.236  -0.795
  486   3HZ   LYS  92          3HZ       LYS  92   3.467  14.887  -1.038
  487    HHA  HEC  93           HHA      HEC  93  -4.945  -0.514   6.364
  488    HHB  HEC  93           HHB      HEC  93  -0.607   0.684   1.804
  489    HHC  HEC  93           HHC      HEC  93  -1.926  -5.080  -0.813
  490    HHD  HEC  93           HHD      HEC  93  -6.956  -5.695   3.126
  491   1HMA  HEC  93          1HMA      HEC  93  -1.427   3.062   4.653
  492   2HMA  HEC  93          2HMA      HEC  93  -0.093   1.923   4.427
  493   3HMA  HEC  93          3HMA      HEC  93  -0.945   2.623   3.030
  494   1HAA  HEC  93          1HAA      HEC  93  -2.636   2.458   6.382
  495   2HAA  HEC  93          2HAA      HEC  93  -3.360   1.047   7.115
  496   1HBA  HEC  93          1HBA      HEC  93  -5.312   1.746   5.286
  497   2HBA  HEC  93          2HBA      HEC  93  -4.635   3.321   5.662
  498   1HMB  HEC  93          1HMB      HEC  93   1.232  -0.698  -1.088
  499   2HMB  HEC  93          2HMB      HEC  93  -0.223   0.261  -1.380
  500   3HMB  HEC  93          3HMB      HEC  93   0.701   0.444   0.119
  501    HAB  HEC  93           HAB      HEC  93  -0.435  -4.198  -1.981
  502   1HBB  HEC  93          1HBB      HEC  93   1.615  -4.211  -0.672
  503   2HBB  HEC  93          2HBB      HEC  93   1.901  -3.995  -2.412
  504   3HBB  HEC  93          3HBB      HEC  93   2.068  -2.630  -1.304
  505   1HMC  HEC  93          1HMC      HEC  93  -2.724  -7.101  -1.120
  506   2HMC  HEC  93          2HMC      HEC  93  -4.149  -8.083  -0.813
  507   3HMC  HEC  93          3HMC      HEC  93  -4.286  -6.619  -1.807
  508    HAC  HEC  93           HAC      HEC  93  -7.151  -7.168   1.615
  509   1HBC  HEC  93          1HBC      HEC  93  -6.550  -9.561   1.242
  510   2HBC  HEC  93          2HBC      HEC  93  -4.852  -9.067   1.079
  511   3HBC  HEC  93          3HBC      HEC  93  -5.733  -8.761   2.591
  512   1HMD  HEC  93          1HMD      HEC  93  -8.832  -4.670   4.516
  513   2HMD  HEC  93          2HMD      HEC  93  -7.768  -5.706   5.494
  514   3HMD  HEC  93          3HMD      HEC  93  -8.638  -4.355   6.242
  515   1HAD  HEC  93          1HAD      HEC  93  -8.168  -2.126   6.982
  516   2HAD  HEC  93          2HAD      HEC  93  -6.687  -1.276   7.347
  517   1HBD  HEC  93          1HBD      HEC  93  -5.802  -3.582   8.132
  518   2HBD  HEC  93          2HBD      HEC  93  -7.477  -4.095   8.142
  Start of MODEL   13
    1   1H    VAL  22          H1        VAL  22  11.871  -0.068  -9.994
    2   2H    VAL  22          H2        VAL  22  11.573  -0.250  -8.396
    3   3H    VAL  22          H3        VAL  22  12.514  -1.375  -9.194
    4    HA   VAL  22           HA       VAL  22  10.585  -1.978 -10.519
    5    HB   VAL  22           HB       VAL  22  10.153  -2.051  -7.493
    6   1HG1  VAL  22          1HG1      VAL  22   8.667  -3.984  -7.941
    7   2HG1  VAL  22          2HG1      VAL  22   8.036  -2.493  -8.646
    8   3HG1  VAL  22          3HG1      VAL  22   8.818  -3.702  -9.687
    9   1HG2  VAL  22          1HG2      VAL  22  11.023  -4.360  -7.659
   10   2HG2  VAL  22          2HG2      VAL  22  11.328  -4.136  -9.390
   11   3HG2  VAL  22          3HG2      VAL  22  12.246  -3.201  -8.187
   12    H    ASP  23           H        ASP  23   8.533  -1.340 -11.253
   13    HA   ASP  23           HA       ASP  23   7.835   1.393 -10.818
   14   1HB   ASP  23          2HB       ASP  23   6.606  -0.900 -12.376
   15   2HB   ASP  23          3HB       ASP  23   5.866   0.708 -12.290
   16    H    ALA  24           H        ALA  24   7.251   1.793  -8.765
   17    HA   ALA  24           HA       ALA  24   5.781   0.499  -6.888
   18   1HB   ALA  24          1HB       ALA  24   5.012   2.733  -6.167
   19   2HB   ALA  24          2HB       ALA  24   6.731   2.758  -6.609
   20   3HB   ALA  24          3HB       ALA  24   5.524   3.431  -7.713
   21    H    GLU  25           H        GLU  25   4.287   2.638  -9.374
   22    HA   GLU  25           HA       GLU  25   1.631   2.062  -8.728
   23   1HB   GLU  25          2HB       GLU  25   1.072   3.026 -10.905
   24   2HB   GLU  25          3HB       GLU  25   2.271   3.967 -10.012
   25   1HG   GLU  25          2HG       GLU  25   4.071   2.825 -11.392
   26   2HG   GLU  25          3HG       GLU  25   2.738   2.270 -12.432
   27    H    ALA  26           H        ALA  26   3.736   0.420 -11.137
   28    HA   ALA  26           HA       ALA  26   1.784  -1.379 -12.120
   29   1HB   ALA  26          1HB       ALA  26   3.610  -2.713 -12.932
   30   2HB   ALA  26          2HB       ALA  26   4.048  -1.003 -13.132
   31   3HB   ALA  26          3HB       ALA  26   4.743  -1.966 -11.801
   32    H    VAL  27           H        VAL  27   4.044  -1.663  -9.339
   33    HA   VAL  27           HA       VAL  27   3.280  -4.299  -8.541
   34    HB   VAL  27           HB       VAL  27   4.285  -1.935  -6.907
   35   1HG1  VAL  27          1HG1      VAL  27   3.779  -4.821  -6.055
   36   2HG1  VAL  27          2HG1      VAL  27   4.795  -3.667  -5.170
   37   3HG1  VAL  27          3HG1      VAL  27   3.074  -3.364  -5.349
   38   1HG2  VAL  27          1HG2      VAL  27   6.387  -2.948  -7.057
   39   2HG2  VAL  27          2HG2      VAL  27   5.723  -4.472  -7.724
   40   3HG2  VAL  27          3HG2      VAL  27   5.760  -3.001  -8.707
   41    H    VAL  28           H        VAL  28   2.062  -1.088  -7.406
   42    HA   VAL  28           HA       VAL  28   0.127  -2.190  -5.699
   43    HB   VAL  28           HB       VAL  28   0.163   0.452  -7.198
   44   1HG1  VAL  28          1HG1      VAL  28  -1.379   0.270  -4.643
   45   2HG1  VAL  28          2HG1      VAL  28  -1.595   1.287  -6.065
   46   3HG1  VAL  28          3HG1      VAL  28  -2.159  -0.370  -6.097
   47   1HG2  VAL  28          1HG2      VAL  28   0.707   0.950  -4.498
   48   2HG2  VAL  28          2HG2      VAL  28   1.476  -0.610  -4.752
   49   3HG2  VAL  28          3HG2      VAL  28   1.916   0.771  -5.762
   50    H    GLN  29           H        GLN  29  -0.206  -1.233  -9.063
   51    HA   GLN  29           HA       GLN  29  -2.842  -1.949  -9.627
   52   1HB   GLN  29          2HB       GLN  29  -0.347  -1.957 -11.304
   53   2HB   GLN  29          3HB       GLN  29  -1.935  -2.336 -11.957
   54   1HG   GLN  29          2HG       GLN  29  -1.367   0.277 -10.465
   55   2HG   GLN  29          3HG       GLN  29  -1.108   0.080 -12.196
   56   1HE2  GLN  29          1HE2      GLN  29  -3.532   0.414  -9.656
   57   2HE2  GLN  29          2HE2      GLN  29  -4.889   0.626 -10.732
   58    H    GLN  30           H        GLN  30  -0.236  -4.139  -8.781
   59    HA   GLN  30           HA       GLN  30  -2.039  -6.403  -9.387
   60   1HB   GLN  30          2HB       GLN  30   0.620  -5.780 -10.577
   61   2HB   GLN  30          3HB       GLN  30   0.529  -7.418  -9.963
   62   1HG   GLN  30          2HG       GLN  30  -1.835  -6.485 -11.533
   63   2HG   GLN  30          3HG       GLN  30  -0.320  -6.663 -12.414
   64   1HE2  GLN  30          1HE2      GLN  30   0.888  -8.797 -12.018
   65   2HE2  GLN  30          2HE2      GLN  30  -0.113 -10.239 -11.927
   66    H    LYS  31           H        LYS  31  -1.437  -4.958  -6.895
   67    HA   LYS  31           HA       LYS  31  -1.179  -7.428  -5.365
   68   1HB   LYS  31          2HB       LYS  31   1.180  -5.703  -5.599
   69   2HB   LYS  31          3HB       LYS  31   0.636  -5.804  -3.936
   70   1HG   LYS  31          2HG       LYS  31   0.662  -8.220  -4.037
   71   2HG   LYS  31          3HG       LYS  31   1.096  -8.215  -5.738
   72   1HD   LYS  31          2HD       LYS  31   2.965  -6.743  -3.913
   73   2HD   LYS  31          3HD       LYS  31   2.827  -8.492  -3.684
   74   1HE   LYS  31          2HE       LYS  31   3.197  -8.675  -6.280
   75   2HE   LYS  31          3HE       LYS  31   3.794  -7.023  -6.141
   76   1HZ   LYS  31          1HZ       LYS  31   5.321  -7.960  -4.359
   77   2HZ   LYS  31          2HZ       LYS  31   4.923  -9.462  -4.936
   78   3HZ   LYS  31          3HZ       LYS  31   5.649  -8.271  -5.861
   79    H    CYS  32           H        CYS  32  -1.400  -3.845  -5.211
   80    HA   CYS  32           HA       CYS  32  -2.676  -4.122  -2.563
   81   1HB   CYS  32          2HB       CYS  32  -2.317  -1.585  -4.086
   82   2HB   CYS  32          3HB       CYS  32  -2.465  -1.812  -2.345
   83    H    ILE  33           H        ILE  33  -3.453  -2.945  -5.819
   84    HA   ILE  33           HA       ILE  33  -6.070  -2.136  -5.271
   85    HB   ILE  33           HB       ILE  33  -6.507  -2.362  -7.650
   86   1HG1  ILE  33          2HG1      ILE  33  -4.427  -3.059  -9.045
   87   2HG1  ILE  33          3HG1      ILE  33  -4.105  -4.170  -7.704
   88   1HG2  ILE  33          1HG2      ILE  33  -3.666  -1.374  -7.470
   89   2HG2  ILE  33          2HG2      ILE  33  -5.045  -0.670  -8.316
   90   3HG2  ILE  33          3HG2      ILE  33  -4.948  -0.582  -6.556
   91   1HD1  ILE  33          1HD1      ILE  33  -5.314  -5.222  -9.511
   92   2HD1  ILE  33          2HD1      ILE  33  -6.510  -5.032  -8.210
   93   3HD1  ILE  33          3HD1      ILE  33  -6.486  -3.898  -9.584
   94    H    SER  34           H        SER  34  -4.857  -5.399  -5.716
   95    HA   SER  34           HA       SER  34  -7.046  -6.943  -6.217
   96   1HB   SER  34          2HB       SER  34  -4.940  -7.372  -4.051
   97   2HB   SER  34          3HB       SER  34  -5.889  -8.629  -4.870
   98    HG   SER  34           HG       SER  34  -4.948  -7.627  -6.872
   99    H    CYS  35           H        CYS  35  -6.405  -5.122  -3.220
  100    HA   CYS  35           HA       CYS  35  -9.143  -5.897  -2.268
  101   1HB   CYS  35          2HB       CYS  35  -6.844  -5.022  -0.535
  102   2HB   CYS  35          3HB       CYS  35  -8.406  -5.698  -0.027
  103    H    HIS  36           HN       HIS  36  -6.652  -3.318  -2.432
  104    HA   HIS  36           HA       HIS  36  -8.388  -1.282  -1.336
  105   1HB   HIS  36          2HB       HIS  36  -5.668  -1.296  -2.697
  106   2HB   HIS  36          3HB       HIS  36  -6.463   0.171  -2.161
  107    HD1  HIS  36           HD1      HIS  36  -7.024   0.325   0.527
  108    HD2  HIS  36           HD2      HIS  36  -4.405  -2.698  -0.742
  109    HE1  HIS  36           1HE      HIS  36  -5.793  -0.446   2.600
  110    H    GLY  37           H        GLY  37  -8.373  -2.725  -4.421
  111   1HA   GLY  37          1HA       GLY  37  -9.946  -2.328  -6.044
  112   2HA   GLY  37          2HA       GLY  37 -10.250  -0.689  -5.435
  113    H    GLY  38           H        GLY  38  -9.614  -1.610  -8.192
  114   1HA   GLY  38          1HA       GLY  38  -7.146  -1.056  -9.293
  115   2HA   GLY  38          2HA       GLY  38  -8.682  -0.542  -9.978
  116    H    ASP  39           H        ASP  39  -9.438   1.196  -7.871
  117    HA   ASP  39           HA       ASP  39  -7.983   3.589  -8.751
  118   1HB   ASP  39          2HB       ASP  39 -10.740   2.992  -7.645
  119   2HB   ASP  39          3HB       ASP  39 -10.104   4.643  -7.744
  120    H    LEU  40           H        LEU  40  -7.908   1.540  -5.866
  121    HA   LEU  40           HA       LEU  40  -6.850   1.854  -3.987
  122   1HB   LEU  40          2HB       LEU  40  -6.061   4.682  -4.717
  123   2HB   LEU  40          3HB       LEU  40  -5.219   3.562  -3.675
  124    HG   LEU  40           HG       LEU  40  -5.507   3.028  -6.686
  125   1HD1  LEU  40          1HD1      LEU  40  -3.246   4.411  -5.252
  126   2HD1  LEU  40          2HD1      LEU  40  -3.268   3.844  -6.943
  127   3HD1  LEU  40          3HD1      LEU  40  -4.387   5.114  -6.443
  128   1HD2  LEU  40          1HD2      LEU  40  -3.525   1.953  -4.661
  129   2HD2  LEU  40          2HD2      LEU  40  -5.017   1.109  -5.119
  130   3HD2  LEU  40          3HD2      LEU  40  -3.797   1.454  -6.356
  131    H    THR  41           H        THR  41  -9.606   2.984  -4.682
  132    HA   THR  41           HA       THR  41 -10.162   5.134  -2.784
  133    HB   THR  41           HB       THR  41 -12.465   4.702  -3.995
  134    HG1  THR  41           1HG      THR  41 -12.036   3.665  -6.053
  135   1HG2  THR  41          1HG2      THR  41 -11.708   5.960  -6.009
  136   2HG2  THR  41          2HG2      THR  41 -11.076   6.654  -4.505
  137   3HG2  THR  41          3HG2      THR  41 -10.020   5.678  -5.539
  138    H    GLY  42           H        GLY  42  -9.861   1.771  -2.674
  139   1HA   GLY  42          1HA       GLY  42 -10.239   0.507  -0.838
  140   2HA   GLY  42          2HA       GLY  42 -11.456   1.622  -0.195
  141    H    ALA  43           H        ALA  43 -11.179  -1.323  -1.246
  142    HA   ALA  43           HA       ALA  43 -13.928  -1.498  -2.433
  143   1HB   ALA  43          1HB       ALA  43 -11.437  -2.913  -3.473
  144   2HB   ALA  43          2HB       ALA  43 -13.098  -3.414  -3.846
  145   3HB   ALA  43          3HB       ALA  43 -12.519  -1.809  -4.331
  146    H    SER  44           H        SER  44 -11.493  -3.966  -1.609
  147    HA   SER  44           HA       SER  44 -13.331  -5.123   0.427
  148   1HB   SER  44          2HB       SER  44 -10.766  -6.244  -0.744
  149   2HB   SER  44          3HB       SER  44 -11.908  -7.073   0.324
  150    HG   SER  44           HG       SER  44 -12.311  -7.587  -1.874
  151    H    ALA  45           H        ALA  45 -11.215  -2.660   0.450
  152    HA   ALA  45           HA       ALA  45 -10.147  -3.107   3.126
  153   1HB   ALA  45          1HB       ALA  45  -8.520  -4.197   1.587
  154   2HB   ALA  45          2HB       ALA  45  -8.404  -2.701   0.635
  155   3HB   ALA  45          3HB       ALA  45  -7.797  -2.757   2.286
  156    HA   PRO  46           HA       PRO  46 -10.955   1.222   3.104
  157   1HB   PRO  46          2HB       PRO  46  -9.001   2.405   4.649
  158   2HB   PRO  46          3HB       PRO  46 -10.255   1.318   5.310
  159   1HG   PRO  46          2HG       PRO  46  -7.406   0.654   4.586
  160   2HG   PRO  46          3HG       PRO  46  -8.318   0.179   6.044
  161   1HD   PRO  46          2HD       PRO  46  -7.965  -1.423   3.868
  162   2HD   PRO  46          3HD       PRO  46  -9.430  -1.551   4.883
  163    H    ALA  47           H        ALA  47 -10.245   3.398   2.301
  164    HA   ALA  47           HA       ALA  47  -8.783   3.069  -0.172
  165   1HB   ALA  47          1HB       ALA  47 -10.768   4.517   0.211
  166   2HB   ALA  47          2HB       ALA  47  -9.754   5.622   1.160
  167   3HB   ALA  47          3HB       ALA  47  -9.393   5.351  -0.562
  168    H    ILE  48           H        ILE  48  -6.709   3.483  -0.605
  169    HA   ILE  48           HA       ILE  48  -4.992   4.752   1.495
  170    HB   ILE  48           HB       ILE  48  -3.100   3.446   0.563
  171   1HG1  ILE  48          2HG1      ILE  48  -5.221   1.709  -0.740
  172   2HG1  ILE  48          3HG1      ILE  48  -4.305   2.916  -1.642
  173   1HG2  ILE  48          1HG2      ILE  48  -5.456   1.986   1.828
  174   2HG2  ILE  48          2HG2      ILE  48  -3.815   1.338   1.752
  175   3HG2  ILE  48          3HG2      ILE  48  -4.134   2.824   2.652
  176   1HD1  ILE  48          1HD1      ILE  48  -2.425   1.662  -1.720
  177   2HD1  ILE  48          2HD1      ILE  48  -2.598   1.069  -0.064
  178   3HD1  ILE  48          3HD1      ILE  48  -3.517   0.321  -1.382
  179    H    ASP  49           H        ASP  49  -6.488   5.398  -1.326
  180    HA   ASP  49           HA       ASP  49  -4.917   6.673  -3.097
  181   1HB   ASP  49          2HB       ASP  49  -6.742   8.263  -3.334
  182   2HB   ASP  49          3HB       ASP  49  -7.389   6.642  -3.071
  183    H    LYS  50           H        LYS  50  -5.810   8.068   0.077
  184    HA   LYS  50           HA       LYS  50  -3.635  10.100  -0.173
  185   1HB   LYS  50          2HB       LYS  50  -4.950  11.413   1.419
  186   2HB   LYS  50          3HB       LYS  50  -5.903  11.036  -0.017
  187   1HG   LYS  50          2HG       LYS  50  -7.296   9.550   1.086
  188   2HG   LYS  50          3HG       LYS  50  -6.116   9.148   2.340
  189   1HD   LYS  50          2HD       LYS  50  -6.402  11.492   3.277
  190   2HD   LYS  50          3HD       LYS  50  -7.656  11.753   2.052
  191   1HE   LYS  50          2HE       LYS  50  -8.925  11.092   3.920
  192   2HE   LYS  50          3HE       LYS  50  -8.774   9.591   2.998
  193   1HZ   LYS  50          1HZ       LYS  50  -6.784   9.146   4.547
  194   2HZ   LYS  50          2HZ       LYS  50  -7.313  10.402   5.416
  195   3HZ   LYS  50          3HZ       LYS  50  -8.288   9.092   5.219
  196    H    ALA  51           H        ALA  51  -3.355   7.222   0.826
  197    HA   ALA  51           HA       ALA  51  -3.027   7.262   3.644
  198   1HB   ALA  51          1HB       ALA  51  -1.391   5.419   3.274
  199   2HB   ALA  51          2HB       ALA  51  -2.895   5.177   2.374
  200   3HB   ALA  51          3HB       ALA  51  -1.436   5.743   1.527
  201    H    GLY  52           H        GLY  52  -0.884   8.380   0.995
  202   1HA   GLY  52          1HA       GLY  52   1.435   8.980   2.442
  203   2HA   GLY  52          2HA       GLY  52   0.857   9.814   0.983
  204    H    ALA  53           H        ALA  53  -1.663  10.587   2.676
  205    HA   ALA  53           HA       ALA  53  -0.465  13.039   3.870
  206   1HB   ALA  53          1HB       ALA  53  -2.443  13.169   2.293
  207   2HB   ALA  53          2HB       ALA  53  -3.400  12.333   3.536
  208   3HB   ALA  53          3HB       ALA  53  -2.674  13.914   3.888
  209    H    ASN  54           H        ASN  54  -2.313  10.093   4.628
  210    HA   ASN  54           HA       ASN  54  -2.828  10.695   7.403
  211   1HB   ASN  54          2HB       ASN  54  -2.772   8.126   5.761
  212   2HB   ASN  54          3HB       ASN  54  -2.981   8.098   7.504
  213   1HD2  ASN  54          1HD2      ASN  54  -4.722   9.337   8.469
  214   2HD2  ASN  54          2HD2      ASN  54  -6.243   9.410   7.615
  215    H    TYR  55           H        TYR  55  -0.227   8.881   5.737
  216    HA   TYR  55           HA       TYR  55   1.391   8.761   8.227
  217   1HB   TYR  55          2HB       TYR  55   0.858   6.431   6.359
  218   2HB   TYR  55          3HB       TYR  55   1.654   6.388   7.925
  219    HD1  TYR  55           HD1      TYR  55  -1.077   5.162   6.390
  220    HD2  TYR  55           HD2      TYR  55  -0.090   7.526   9.861
  221    HE1  TYR  55           HE1      TYR  55  -3.165   4.426   7.491
  222    HE2  TYR  55           HE2      TYR  55  -2.207   6.810  10.939
  223    HH   TYR  55           HH       TYR  55  -4.448   4.484   9.402
  224    H    SER  56           H        SER  56   3.687   8.570   7.728
  225    HA   SER  56           HA       SER  56   4.393   9.593   5.071
  226   1HB   SER  56          2HB       SER  56   6.196   8.834   7.402
  227   2HB   SER  56          3HB       SER  56   6.613   9.822   5.987
  228    HG   SER  56           HG       SER  56   6.080  11.209   7.645
  229    H    GLU  57           H        GLU  57   6.334   8.570   3.942
  230    HA   GLU  57           HA       GLU  57   5.820   6.005   2.989
  231   1HB   GLU  57          2HB       GLU  57   8.197   5.986   2.274
  232   2HB   GLU  57          3HB       GLU  57   7.211   7.308   1.672
  233   1HG   GLU  57          2HG       GLU  57   8.911   7.750   4.134
  234   2HG   GLU  57          3HG       GLU  57   9.609   7.726   2.520
  235    H    GLU  58           H        GLU  58   7.913   6.950   5.701
  236    HA   GLU  58           HA       GLU  58   9.059   4.470   6.267
  237   1HB   GLU  58          2HB       GLU  58   9.498   6.846   7.187
  238   2HB   GLU  58          3HB       GLU  58   8.276   6.489   8.414
  239   1HG   GLU  58          2HG       GLU  58   9.644   4.576   9.187
  240   2HG   GLU  58          3HG       GLU  58  10.803   4.855   7.874
  241    H    GLU  59           H        GLU  59   5.872   5.768   7.258
  242    HA   GLU  59           HA       GLU  59   5.241   3.569   9.076
  243   1HB   GLU  59          2HB       GLU  59   3.753   5.923   7.896
  244   2HB   GLU  59          3HB       GLU  59   2.956   4.726   8.932
  245   1HG   GLU  59          2HG       GLU  59   5.472   6.053   9.961
  246   2HG   GLU  59          3HG       GLU  59   3.968   6.986   9.914
  247    H    ILE  60           H        ILE  60   4.253   4.703   5.812
  248    HA   ILE  60           HA       ILE  60   2.315   2.675   5.393
  249    HB   ILE  60           HB       ILE  60   3.892   4.259   3.362
  250   1HG1  ILE  60          2HG1      ILE  60   1.128   4.606   4.629
  251   2HG1  ILE  60          3HG1      ILE  60   2.542   5.552   5.003
  252   1HG2  ILE  60          1HG2      ILE  60   2.436   2.010   2.686
  253   2HG2  ILE  60          2HG2      ILE  60   1.159   3.210   2.713
  254   3HG2  ILE  60          3HG2      ILE  60   2.556   3.449   1.667
  255   1HD1  ILE  60          1HD1      ILE  60   2.636   6.329   2.604
  256   2HD1  ILE  60          2HD1      ILE  60   1.083   5.485   2.334
  257   3HD1  ILE  60          3HD1      ILE  60   1.182   6.816   3.494
  258    H    LEU  61           H        LEU  61   5.801   2.877   4.655
  259    HA   LEU  61           HA       LEU  61   6.107   0.422   3.347
  260   1HB   LEU  61          2HB       LEU  61   7.825   2.180   3.414
  261   2HB   LEU  61          3HB       LEU  61   8.089   1.882   5.135
  262    HG   LEU  61           HG       LEU  61   8.984  -0.330   4.662
  263   1HD1  LEU  61          1HD1      LEU  61   7.631  -1.124   2.816
  264   2HD1  LEU  61          2HD1      LEU  61   8.146   0.232   1.792
  265   3HD1  LEU  61          3HD1      LEU  61   9.297  -1.047   2.235
  266   1HD2  LEU  61          1HD2      LEU  61  10.957   0.314   3.332
  267   2HD2  LEU  61          2HD2      LEU  61  10.093   1.730   2.701
  268   3HD2  LEU  61          3HD2      LEU  61  10.493   1.627   4.429
  269    H    ASP  62           H        ASP  62   6.415   1.195   6.884
  270    HA   ASP  62           HA       ASP  62   6.856  -1.426   7.748
  271   1HB   ASP  62          2HB       ASP  62   6.913   0.681   9.145
  272   2HB   ASP  62          3HB       ASP  62   5.147   0.570   9.268
  273    H    ILE  63           H        ILE  63   3.662   0.197   7.163
  274    HA   ILE  63           HA       ILE  63   2.122  -2.143   7.857
  275    HB   ILE  63           HB       ILE  63   1.507   0.139   5.918
  276   1HG1  ILE  63          2HG1      ILE  63   0.576  -0.274   8.780
  277   2HG1  ILE  63          3HG1      ILE  63   1.939   0.747   8.315
  278   1HG2  ILE  63          1HG2      ILE  63  -0.867  -0.549   6.152
  279   2HG2  ILE  63          2HG2      ILE  63   0.071  -1.841   5.427
  280   3HG2  ILE  63          3HG2      ILE  63  -0.376  -1.926   7.143
  281   1HD1  ILE  63          1HD1      ILE  63   0.458   2.149   6.915
  282   2HD1  ILE  63          2HD1      ILE  63  -0.932   1.200   7.491
  283   3HD1  ILE  63          3HD1      ILE  63   0.021   2.148   8.633
  284    H    ILE  64           H        ILE  64   3.296  -1.148   4.609
  285    HA   ILE  64           HA       ILE  64   2.268  -3.383   3.214
  286    HB   ILE  64           HB       ILE  64   4.819  -1.797   2.756
  287   1HG1  ILE  64          2HG1      ILE  64   2.269  -1.595   1.153
  288   2HG1  ILE  64          3HG1      ILE  64   2.378  -0.710   2.668
  289   1HG2  ILE  64          1HG2      ILE  64   3.349  -3.771   0.964
  290   2HG2  ILE  64          2HG2      ILE  64   4.576  -2.633   0.379
  291   3HG2  ILE  64          3HG2      ILE  64   5.025  -3.895   1.534
  292   1HD1  ILE  64          1HD1      ILE  64   4.427   0.418   1.933
  293   2HD1  ILE  64          2HD1      ILE  64   4.351  -0.397   0.364
  294   3HD1  ILE  64          3HD1      ILE  64   3.091   0.754   0.850
  295    H    LEU  65           H        LEU  65   5.328  -3.038   5.020
  296    HA   LEU  65           HA       LEU  65   6.305  -5.672   4.549
  297   1HB   LEU  65          2HB       LEU  65   6.841  -3.673   6.773
  298   2HB   LEU  65          3HB       LEU  65   7.710  -5.186   6.603
  299    HG   LEU  65           HG       LEU  65   7.684  -3.018   4.451
  300   1HD1  LEU  65          1HD1      LEU  65   9.974  -2.512   5.280
  301   2HD1  LEU  65          2HD1      LEU  65   8.744  -2.183   6.510
  302   3HD1  LEU  65          3HD1      LEU  65   9.732  -3.653   6.621
  303   1HD2  LEU  65          1HD2      LEU  65   9.318  -5.543   4.834
  304   2HD2  LEU  65          2HD2      LEU  65   8.205  -5.153   3.489
  305   3HD2  LEU  65          3HD2      LEU  65   9.719  -4.257   3.674
  306    H    ASN  66           H        ASN  66   3.901  -4.519   7.045
  307    HA   ASN  66           HA       ASN  66   4.302  -7.161   8.462
  308   1HB   ASN  66          2HB       ASN  66   4.052  -4.405   9.721
  309   2HB   ASN  66          3HB       ASN  66   4.189  -5.948  10.577
  310   1HD2  ASN  66          1HD2      ASN  66   5.961  -3.328  10.080
  311   2HD2  ASN  66          2HD2      ASN  66   7.556  -4.032   9.912
  312    H    GLY  67           H        GLY  67   2.494  -6.221   6.610
  313   1HA   GLY  67          1HA       GLY  67   0.401  -5.209   6.185
  314   2HA   GLY  67          2HA       GLY  67  -0.190  -6.708   6.731
  315    H    GLN  68           H        GLN  68  -1.933  -6.106   8.260
  316    HA   GLN  68           HA       GLN  68  -1.770  -4.689  10.609
  317   1HB   GLN  68          2HB       GLN  68  -1.178  -2.618   9.559
  318   2HB   GLN  68          3HB       GLN  68  -2.430  -2.777   8.317
  319   1HG   GLN  68          2HG       GLN  68  -4.128  -2.139   9.887
  320   2HG   GLN  68          3HG       GLN  68  -3.097  -2.543  11.265
  321   1HE2  GLN  68          1HE2      GLN  68  -4.136   0.180   9.240
  322   2HE2  GLN  68          2HE2      GLN  68  -2.917   1.231   9.908
  323    H    GLY  69           H        GLY  69  -3.902  -4.805  11.698
  324   1HA   GLY  69          1HA       GLY  69  -5.607  -6.270  12.012
  325   2HA   GLY  69          2HA       GLY  69  -6.385  -5.029  11.054
  326    H    GLY  70           H        GLY  70  -7.403  -5.744   9.157
  327   1HA   GLY  70          1HA       GLY  70  -7.584  -8.540   8.580
  328   2HA   GLY  70          2HA       GLY  70  -8.192  -7.208   7.589
  329    H    MET  71           H        MET  71  -5.334  -6.112   7.438
  330    HA   MET  71           HA       MET  71  -4.705  -7.293   4.909
  331   1HB   MET  71          1HB       MET  71  -4.440  -4.874   5.645
  332   2HB   MET  71          2HB       MET  71  -3.037  -5.359   6.556
  333   1HG   MET  71          1HG       MET  71  -1.850  -6.080   4.695
  334   2HG   MET  71          2HG       MET  71  -3.202  -5.890   3.590
  335   1HE   MET  71          1HE       MET  71  -0.880  -4.828   2.498
  336   2HE   MET  71          2HE       MET  71  -0.174  -3.266   3.001
  337   3HE   MET  71          3HE       MET  71   0.014  -4.708   4.019
  338    HA   PRO  72           HA       PRO  72  -2.556 -10.671   6.881
  339   1HB   PRO  72          2HB       PRO  72  -1.097 -11.628   4.665
  340   2HB   PRO  72          3HB       PRO  72  -2.813 -12.005   5.040
  341   1HG   PRO  72          2HG       PRO  72  -1.658 -10.024   3.110
  342   2HG   PRO  72          3HG       PRO  72  -3.126 -11.014   2.926
  343   1HD   PRO  72          2HD       PRO  72  -3.192  -8.357   3.604
  344   2HD   PRO  72          3HD       PRO  72  -4.410  -9.502   4.208
  345    H    GLY  73           H        GLY  73  -0.472  -9.023   4.495
  346   1HA   GLY  73          1HA       GLY  73   1.183  -7.504   5.252
  347   2HA   GLY  73          2HA       GLY  73   1.606  -8.597   6.615
  348    H    GLY  74           H        GLY  74   3.290  -7.318   4.726
  349   1HA   GLY  74          1HA       GLY  74   5.200  -7.870   3.539
  350   2HA   GLY  74          2HA       GLY  74   4.950  -9.568   3.988
  351    H    ILE  75           H        ILE  75   2.351  -7.882   2.406
  352    HA   ILE  75           HA       ILE  75   2.049  -9.571   0.205
  353    HB   ILE  75           HB       ILE  75   1.101  -6.874   1.138
  354   1HG1  ILE  75          2HG1      ILE  75  -0.588  -9.036  -0.071
  355   2HG1  ILE  75          3HG1      ILE  75   0.176  -9.314   1.502
  356   1HG2  ILE  75          1HG2      ILE  75   1.518  -6.419  -1.416
  357   2HG2  ILE  75          2HG2      ILE  75   0.675  -7.911  -1.776
  358   3HG2  ILE  75          3HG2      ILE  75  -0.194  -6.561  -1.067
  359   1HD1  ILE  75          1HD1      ILE  75  -2.152  -8.259   1.542
  360   2HD1  ILE  75          2HD1      ILE  75  -0.886  -7.474   2.522
  361   3HD1  ILE  75          3HD1      ILE  75  -1.367  -6.781   0.966
  362    H    ALA  76           H        ALA  76   3.591  -6.322   0.183
  363    HA   ALA  76           HA       ALA  76   5.417  -7.310  -1.945
  364   1HB   ALA  76          1HB       ALA  76   6.012  -4.846  -2.153
  365   2HB   ALA  76          2HB       ALA  76   4.370  -5.261  -2.676
  366   3HB   ALA  76          3HB       ALA  76   4.633  -4.492  -1.100
  367    H    LYS  77           H        LYS  77   7.683  -6.969  -1.631
  368    HA   LYS  77           HA       LYS  77   8.644  -6.174   1.043
  369   1HB   LYS  77          2HB       LYS  77   8.854  -8.940  -0.142
  370   2HB   LYS  77          3HB       LYS  77  10.198  -8.343   0.798
  371   1HG   LYS  77          2HG       LYS  77   7.376  -8.343   1.900
  372   2HG   LYS  77          3HG       LYS  77   8.376  -9.774   2.006
  373   1HD   LYS  77          2HD       LYS  77   9.350  -7.092   3.076
  374   2HD   LYS  77          3HD       LYS  77   8.276  -8.130   4.001
  375   1HE   LYS  77          2HE       LYS  77  10.371  -8.666   4.838
  376   2HE   LYS  77          3HE       LYS  77   9.993 -10.010   3.759
  377   1HZ   LYS  77          1HZ       LYS  77  12.252  -9.217   3.542
  378   2HZ   LYS  77          2HZ       LYS  77  11.453  -8.997   2.130
  379   3HZ   LYS  77          3HZ       LYS  77  11.746  -7.713   3.125
  380    H    GLY  78           H        GLY  78  10.803  -5.539   1.022
  381   1HA   GLY  78          1HA       GLY  78  12.860  -4.897   0.176
  382   2HA   GLY  78          2HA       GLY  78  12.555  -5.901  -1.252
  383    H    ALA  79           H        ALA  79  13.529  -4.141  -2.459
  384    HA   ALA  79           HA       ALA  79  12.896  -1.523  -2.627
  385   1HB   ALA  79          1HB       ALA  79  13.617  -1.575  -4.957
  386   2HB   ALA  79          2HB       ALA  79  14.653  -2.590  -3.937
  387   3HB   ALA  79          3HB       ALA  79  13.434  -3.344  -4.995
  388    H    GLU  80           H        GLU  80  10.991  -4.144  -3.953
  389    HA   GLU  80           HA       GLU  80   8.991  -2.854  -5.433
  390   1HB   GLU  80          2HB       GLU  80   9.404  -5.317  -5.135
  391   2HB   GLU  80          3HB       GLU  80   8.789  -5.196  -3.480
  392   1HG   GLU  80          2HG       GLU  80   6.619  -4.459  -4.338
  393   2HG   GLU  80          3HG       GLU  80   7.249  -4.608  -5.997
  394    H    ALA  81           H        ALA  81   8.986  -3.621  -1.925
  395    HA   ALA  81           HA       ALA  81   6.518  -2.262  -1.335
  396   1HB   ALA  81          1HB       ALA  81   7.152  -2.618   1.002
  397   2HB   ALA  81          2HB       ALA  81   7.407  -4.092   0.058
  398   3HB   ALA  81          3HB       ALA  81   8.794  -3.086   0.522
  399    H    GLU  82           H        GLU  82   9.982  -1.417  -1.030
  400    HA   GLU  82           HA       GLU  82   9.728   1.086   0.250
  401   1HB   GLU  82          2HB       GLU  82  11.731   0.219  -1.866
  402   2HB   GLU  82          3HB       GLU  82  11.937   1.581  -0.780
  403   1HG   GLU  82          2HG       GLU  82  12.141   0.203   1.143
  404   2HG   GLU  82          3HG       GLU  82  11.507  -1.230   0.333
  405    H    ALA  83           H        ALA  83   9.805   0.357  -3.261
  406    HA   ALA  83           HA       ALA  83   9.421   2.997  -4.195
  407   1HB   ALA  83          1HB       ALA  83   8.566   0.381  -5.518
  408   2HB   ALA  83          2HB       ALA  83   8.844   1.942  -6.318
  409   3HB   ALA  83          3HB       ALA  83  10.198   1.082  -5.576
  410    H    VAL  84           H        VAL  84   7.027   0.366  -3.619
  411    HA   VAL  84           HA       VAL  84   4.656   1.749  -4.245
  412    HB   VAL  84           HB       VAL  84   5.255  -0.381  -2.174
  413   1HG1  VAL  84          1HG1      VAL  84   3.224   0.753  -1.424
  414   2HG1  VAL  84          2HG1      VAL  84   2.567   0.715  -3.062
  415   3HG1  VAL  84          3HG1      VAL  84   2.849  -0.804  -2.176
  416   1HG2  VAL  84          1HG2      VAL  84   3.808  -0.529  -4.850
  417   2HG2  VAL  84          2HG2      VAL  84   5.501  -0.967  -4.642
  418   3HG2  VAL  84          3HG2      VAL  84   4.250  -1.871  -3.772
  419    H    ALA  85           H        ALA  85   6.163   1.501  -1.015
  420    HA   ALA  85           HA       ALA  85   4.486   3.222   0.377
  421   1HB   ALA  85          1HB       ALA  85   6.217   1.781   1.401
  422   2HB   ALA  85          2HB       ALA  85   7.482   2.878   0.819
  423   3HB   ALA  85          3HB       ALA  85   6.283   3.454   1.996
  424    H    ALA  86           H        ALA  86   7.560   4.115  -1.280
  425    HA   ALA  86           HA       ALA  86   7.452   6.893  -0.626
  426   1HB   ALA  86          1HB       ALA  86   9.482   5.786  -1.437
  427   2HB   ALA  86          2HB       ALA  86   8.729   5.512  -3.023
  428   3HB   ALA  86          3HB       ALA  86   9.063   7.168  -2.469
  429    H    TRP  87           H        TRP  87   6.306   5.116  -3.511
  430    HA   TRP  87           HA       TRP  87   5.289   7.323  -4.967
  431   1HB   TRP  87          2HB       TRP  87   5.701   5.112  -5.867
  432   2HB   TRP  87          3HB       TRP  87   4.466   4.419  -4.811
  433    HD1  TRP  87           HD1      TRP  87   4.631   6.988  -7.686
  434    HE1  TRP  87           HE1      TRP  87   2.567   6.700  -9.168
  435    HE3  TRP  87           HE3      TRP  87   2.278   3.284  -5.050
  436    HZ2  TRP  87           HZ2      TRP  87   0.098   5.164  -9.113
  437    HZ3  TRP  87           HZ3      TRP  87  -0.056   2.707  -5.597
  438    HH2  TRP  87           HH2      TRP  87  -1.138   3.556  -7.613
  439    H    LEU  88           H        LEU  88   3.759   5.212  -2.520
  440    HA   LEU  88           HA       LEU  88   1.217   6.547  -2.505
  441   1HB   LEU  88          2HB       LEU  88   2.639   4.649  -0.650
  442   2HB   LEU  88          3HB       LEU  88   1.242   5.520  -0.061
  443    HG   LEU  88           HG       LEU  88   1.173   3.102  -1.374
  444   1HD1  LEU  88          1HD1      LEU  88  -0.995   5.235  -1.062
  445   2HD1  LEU  88          2HD1      LEU  88  -1.323   3.578  -1.581
  446   3HD1  LEU  88          3HD1      LEU  88  -0.662   3.872   0.047
  447   1HD2  LEU  88          1HD2      LEU  88   1.588   4.353  -3.467
  448   2HD2  LEU  88          2HD2      LEU  88   0.209   3.226  -3.425
  449   3HD2  LEU  88          3HD2      LEU  88  -0.071   4.982  -3.370
  450    H    ALA  89           H        ALA  89   4.185   7.155  -0.566
  451    HA   ALA  89           HA       ALA  89   3.097   9.289   0.958
  452   1HB   ALA  89          1HB       ALA  89   5.361  10.071   1.253
  453   2HB   ALA  89          2HB       ALA  89   5.247   8.314   1.438
  454   3HB   ALA  89          3HB       ALA  89   5.944   9.016  -0.043
  455    H    GLU  90           H        GLU  90   4.402   9.222  -2.355
  456    HA   GLU  90           HA       GLU  90   3.746  12.042  -2.859
  457   1HB   GLU  90          2HB       GLU  90   4.875   9.759  -4.493
  458   2HB   GLU  90          3HB       GLU  90   4.463  11.309  -5.226
  459   1HG   GLU  90          2HG       GLU  90   6.119  11.536  -2.750
  460   2HG   GLU  90          3HG       GLU  90   6.902  10.759  -4.130
  461    H    LYS  91           H        LYS  91   1.527   9.709  -2.340
  462    HA   LYS  91           HA       LYS  91  -0.245  10.738  -4.535
  463   1HB   LYS  91          2HB       LYS  91  -0.264   8.063  -3.127
  464   2HB   LYS  91          3HB       LYS  91  -1.574   8.720  -4.080
  465   1HG   LYS  91          2HG       LYS  91   0.937   8.906  -5.578
  466   2HG   LYS  91          3HG       LYS  91   0.699   7.261  -5.021
  467   1HD   LYS  91          2HD       LYS  91  -1.248   8.892  -6.730
  468   2HD   LYS  91          3HD       LYS  91  -0.200   7.574  -7.243
  469   1HE   LYS  91          2HE       LYS  91  -2.024   6.273  -6.964
  470   2HE   LYS  91          3HE       LYS  91  -1.497   6.242  -5.280
  471   1HZ   LYS  91          1HZ       LYS  91  -3.092   8.109  -4.904
  472   2HZ   LYS  91          2HZ       LYS  91  -3.582   7.973  -6.466
  473   3HZ   LYS  91          3HZ       LYS  91  -3.808   6.738  -5.410
  474    H    LYS  92           H        LYS  92  -1.859  12.023  -3.881
  475    HA   LYS  92           HA       LYS  92  -3.165  11.800  -1.353
  476   1HB   LYS  92          2HB       LYS  92  -1.867  14.431  -2.198
  477   2HB   LYS  92          3HB       LYS  92  -2.854  14.104  -0.776
  478   1HG   LYS  92          2HG       LYS  92  -0.727  14.191   0.084
  479   2HG   LYS  92          3HG       LYS  92  -1.008  12.457  -0.041
  480   1HD   LYS  92          2HD       LYS  92   0.831  12.238  -1.386
  481   2HD   LYS  92          3HD       LYS  92   0.171  13.405  -2.530
  482   1HE   LYS  92          2HE       LYS  92   2.224  14.300  -1.968
  483   2HE   LYS  92          3HE       LYS  92   1.094  15.249  -0.993
  484   1HZ   LYS  92          1HZ       LYS  92   3.040  14.500   0.248
  485   2HZ   LYS  92          2HZ       LYS  92   1.696  13.773   0.882
  486   3HZ   LYS  92          3HZ       LYS  92   2.703  12.933  -0.099
  487    HHA  HEC  93           HHA      HEC  93  -4.950  -0.619   6.341
  488    HHB  HEC  93           HHB      HEC  93  -0.543   0.620   1.840
  489    HHC  HEC  93           HHC      HEC  93  -1.889  -5.094  -0.850
  490    HHD  HEC  93           HHD      HEC  93  -6.905  -5.764   3.078
  491   1HMA  HEC  93          1HMA      HEC  93  -0.944   2.539   3.084
  492   2HMA  HEC  93          2HMA      HEC  93  -1.407   2.997   4.706
  493   3HMA  HEC  93          3HMA      HEC  93  -0.073   1.848   4.483
  494   1HAA  HEC  93          1HAA      HEC  93  -2.656   2.413   6.362
  495   2HAA  HEC  93          2HAA      HEC  93  -3.222   0.977   7.154
  496   1HBA  HEC  93          1HBA      HEC  93  -5.217   1.906   5.205
  497   2HBA  HEC  93          2HBA      HEC  93  -4.718   3.252   6.208
  498   1HMB  HEC  93          1HMB      HEC  93  -0.283   0.616  -0.777
  499   2HMB  HEC  93          2HMB      HEC  93   1.116   0.065   0.153
  500   3HMB  HEC  93          3HMB      HEC  93   0.848  -0.523  -1.485
  501    HAB  HEC  93           HAB      HEC  93  -0.339  -4.251  -1.942
  502   1HBB  HEC  93          1HBB      HEC  93   2.050  -2.605  -1.111
  503   2HBB  HEC  93          2HBB      HEC  93   1.649  -4.247  -0.592
  504   3HBB  HEC  93          3HBB      HEC  93   2.034  -3.928  -2.298
  505   1HMC  HEC  93          1HMC      HEC  93  -4.138  -8.088  -0.914
  506   2HMC  HEC  93          2HMC      HEC  93  -4.176  -6.596  -1.870
  507   3HMC  HEC  93          3HMC      HEC  93  -2.661  -7.161  -1.133
  508    HAC  HEC  93           HAC      HEC  93  -7.132  -7.161   1.506
  509   1HBC  HEC  93          1HBC      HEC  93  -4.996  -9.188   0.780
  510   2HBC  HEC  93          2HBC      HEC  93  -5.641  -8.820   2.388
  511   3HBC  HEC  93          3HBC      HEC  93  -6.697  -9.524   1.155
  512   1HMD  HEC  93          1HMD      HEC  93  -7.727  -5.704   5.609
  513   2HMD  HEC  93          2HMD      HEC  93  -8.725  -4.319   6.064
  514   3HMD  HEC  93          3HMD      HEC  93  -8.727  -4.884   4.390
  515   1HAD  HEC  93          1HAD      HEC  93  -8.126  -2.420   7.026
  516   2HAD  HEC  93          2HAD      HEC  93  -6.783  -1.334   7.303
  517   1HBD  HEC  93          1HBD      HEC  93  -5.472  -3.009   8.331
  518   2HBD  HEC  93          2HBD      HEC  93  -6.482  -4.311   7.698
  Start of MODEL   14
    1   1H    VAL  22          H1        VAL  22  11.690  -0.142 -10.183
    2   2H    VAL  22          H2        VAL  22  11.600  -0.310  -8.562
    3   3H    VAL  22          H3        VAL  22  12.542  -1.363  -9.446
    4    HA   VAL  22           HA       VAL  22  10.641  -2.309 -10.452
    5    HB   VAL  22           HB       VAL  22  10.170  -1.896  -7.457
    6   1HG1  VAL  22          1HG1      VAL  22   8.140  -2.743  -8.551
    7   2HG1  VAL  22          2HG1      VAL  22   9.068  -4.044  -9.325
    8   3HG1  VAL  22          3HG1      VAL  22   8.881  -4.003  -7.562
    9   1HG2  VAL  22          1HG2      VAL  22  11.593  -4.157  -8.933
   10   2HG2  VAL  22          2HG2      VAL  22  12.383  -2.930  -7.916
   11   3HG2  VAL  22          3HG2      VAL  22  11.266  -4.090  -7.191
   12    H    ASP  23           H        ASP  23   8.518  -1.982 -11.230
   13    HA   ASP  23           HA       ASP  23   7.657   0.758 -11.270
   14   1HB   ASP  23          2HB       ASP  23   6.540  -1.850 -12.348
   15   2HB   ASP  23          3HB       ASP  23   5.724  -0.286 -12.550
   16    H    ALA  24           H        ALA  24   7.195   1.362  -9.195
   17    HA   ALA  24           HA       ALA  24   5.759   0.140  -7.217
   18   1HB   ALA  24          1HB       ALA  24   5.403   2.304  -6.292
   19   2HB   ALA  24          2HB       ALA  24   6.887   2.462  -7.238
   20   3HB   ALA  24          3HB       ALA  24   5.357   3.093  -7.872
   21    H    GLU  25           H        GLU  25   4.377   2.175  -9.845
   22    HA   GLU  25           HA       GLU  25   1.695   1.819  -9.124
   23   1HB   GLU  25          2HB       GLU  25   2.553   2.214 -12.001
   24   2HB   GLU  25          3HB       GLU  25   1.093   2.714 -11.165
   25   1HG   GLU  25          2HG       GLU  25   2.999   4.015  -9.662
   26   2HG   GLU  25          3HG       GLU  25   3.828   3.965 -11.217
   27    H    ALA  26           H        ALA  26   3.670  -0.087 -11.501
   28    HA   ALA  26           HA       ALA  26   1.591  -1.791 -12.372
   29   1HB   ALA  26          1HB       ALA  26   4.499  -2.576 -12.042
   30   2HB   ALA  26          2HB       ALA  26   3.307  -3.301 -13.125
   31   3HB   ALA  26          3HB       ALA  26   3.865  -1.641 -13.424
   32    H    VAL  27           H        VAL  27   3.902  -2.131  -9.669
   33    HA   VAL  27           HA       VAL  27   3.019  -4.658  -8.693
   34    HB   VAL  27           HB       VAL  27   4.300  -2.196  -7.410
   35   1HG1  VAL  27          1HG1      VAL  27   4.754  -3.741  -5.441
   36   2HG1  VAL  27          2HG1      VAL  27   3.090  -3.174  -5.569
   37   3HG1  VAL  27          3HG1      VAL  27   3.507  -4.802  -6.133
   38   1HG2  VAL  27          1HG2      VAL  27   5.480  -4.961  -7.734
   39   2HG2  VAL  27          2HG2      VAL  27   5.495  -3.810  -9.089
   40   3HG2  VAL  27          3HG2      VAL  27   6.267  -3.367  -7.572
   41    H    VAL  28           H        VAL  28   2.021  -1.332  -7.647
   42    HA   VAL  28           HA       VAL  28   0.078  -2.290  -5.843
   43    HB   VAL  28           HB       VAL  28   0.343   0.289  -7.394
   44   1HG1  VAL  28          1HG1      VAL  28  -1.279   0.668  -4.997
   45   2HG1  VAL  28          2HG1      VAL  28  -1.579   1.106  -6.682
   46   3HG1  VAL  28          3HG1      VAL  28  -2.046  -0.477  -6.080
   47   1HG2  VAL  28          1HG2      VAL  28   0.768   0.448  -4.508
   48   2HG2  VAL  28          2HG2      VAL  28   1.755  -0.839  -5.190
   49   3HG2  VAL  28          3HG2      VAL  28   1.885   0.791  -5.835
   50    H    GLN  29           H        GLN  29  -0.212  -1.474  -9.241
   51    HA   GLN  29           HA       GLN  29  -2.908  -2.055  -9.758
   52   1HB   GLN  29          2HB       GLN  29  -0.467  -2.172 -11.487
   53   2HB   GLN  29          3HB       GLN  29  -2.095  -2.445 -12.087
   54   1HG   GLN  29          2HG       GLN  29  -1.394   0.106 -10.549
   55   2HG   GLN  29          3HG       GLN  29  -1.052  -0.071 -12.267
   56   1HE2  GLN  29          1HE2      GLN  29  -3.601   0.305  -9.844
   57   2HE2  GLN  29          2HE2      GLN  29  -4.881   0.613 -10.987
   58    H    GLN  30           H        GLN  30  -0.441  -4.340  -8.832
   59    HA   GLN  30           HA       GLN  30  -2.464  -6.414  -9.392
   60   1HB   GLN  30          2HB       GLN  30  -0.489  -6.275 -11.122
   61   2HB   GLN  30          3HB       GLN  30   0.477  -7.004  -9.834
   62   1HG   GLN  30          2HG       GLN  30  -1.988  -8.486  -9.992
   63   2HG   GLN  30          3HG       GLN  30  -1.480  -8.179 -11.653
   64   1HE2  GLN  30          1HE2      GLN  30  -0.476  -9.506  -8.515
   65   2HE2  GLN  30          2HE2      GLN  30   0.611 -10.733  -9.191
   66    H    LYS  31           H        LYS  31  -1.215  -4.900  -6.950
   67    HA   LYS  31           HA       LYS  31  -1.186  -7.335  -5.228
   68   1HB   LYS  31          2HB       LYS  31   0.849  -5.059  -5.079
   69   2HB   LYS  31          3HB       LYS  31   0.501  -6.208  -3.781
   70   1HG   LYS  31          2HG       LYS  31   0.944  -8.063  -5.518
   71   2HG   LYS  31          3HG       LYS  31   1.698  -6.798  -6.497
   72   1HD   LYS  31          2HD       LYS  31   3.437  -6.443  -4.865
   73   2HD   LYS  31          3HD       LYS  31   2.556  -7.247  -3.591
   74   1HE   LYS  31          2HE       LYS  31   3.291  -8.799  -6.088
   75   2HE   LYS  31          3HE       LYS  31   4.558  -8.418  -4.923
   76   1HZ   LYS  31          1HZ       LYS  31   2.090  -9.851  -4.241
   77   2HZ   LYS  31          2HZ       LYS  31   3.587 -10.518  -4.424
   78   3HZ   LYS  31          3HZ       LYS  31   3.306  -9.456  -3.198
   79    H    CYS  32           H        CYS  32  -1.205  -3.713  -5.046
   80    HA   CYS  32           HA       CYS  32  -2.683  -3.932  -2.565
   81   1HB   CYS  32          2HB       CYS  32  -2.402  -1.367  -4.088
   82   2HB   CYS  32          3HB       CYS  32  -2.494  -1.635  -2.355
   83    H    ILE  33           H        ILE  33  -3.454  -2.928  -5.859
   84    HA   ILE  33           HA       ILE  33  -6.071  -2.098  -5.311
   85    HB   ILE  33           HB       ILE  33  -6.497  -2.323  -7.675
   86   1HG1  ILE  33          2HG1      ILE  33  -4.632  -2.999  -9.199
   87   2HG1  ILE  33          3HG1      ILE  33  -4.013  -4.010  -7.870
   88   1HG2  ILE  33          1HG2      ILE  33  -4.065  -1.085  -8.258
   89   2HG2  ILE  33          2HG2      ILE  33  -5.461  -0.319  -7.535
   90   3HG2  ILE  33          3HG2      ILE  33  -4.174  -0.934  -6.515
   91   1HD1  ILE  33          1HD1      ILE  33  -5.373  -5.093  -9.653
   92   2HD1  ILE  33          2HD1      ILE  33  -6.110  -5.334  -8.074
   93   3HD1  ILE  33          3HD1      ILE  33  -6.769  -4.110  -9.187
   94    H    SER  34           H        SER  34  -4.822  -5.364  -5.664
   95    HA   SER  34           HA       SER  34  -6.971  -6.908  -6.237
   96   1HB   SER  34          2HB       SER  34  -5.138  -7.507  -3.901
   97   2HB   SER  34          3HB       SER  34  -5.810  -8.628  -5.098
   98    HG   SER  34           HG       SER  34  -3.533  -7.212  -5.157
   99    H    CYS  35           H        CYS  35  -6.425  -5.064  -3.255
  100    HA   CYS  35           HA       CYS  35  -9.134  -5.907  -2.276
  101   1HB   CYS  35          2HB       CYS  35  -6.849  -4.934  -0.567
  102   2HB   CYS  35          3HB       CYS  35  -8.376  -5.669  -0.044
  103    H    HIS  36           HN       HIS  36  -6.700  -3.268  -2.448
  104    HA   HIS  36           HA       HIS  36  -8.486  -1.265  -1.393
  105   1HB   HIS  36          2HB       HIS  36  -5.771  -1.215  -2.767
  106   2HB   HIS  36          3HB       HIS  36  -6.601   0.230  -2.231
  107    HD1  HIS  36           HD1      HIS  36  -7.201   0.329   0.477
  108    HD2  HIS  36           HD2      HIS  36  -4.400  -2.516  -0.827
  109    HE1  HIS  36           1HE      HIS  36  -5.925  -0.389   2.536
  110    H    GLY  37           H        GLY  37  -8.407  -2.745  -4.467
  111   1HA   GLY  37          1HA       GLY  37  -9.946  -2.418  -6.131
  112   2HA   GLY  37          2HA       GLY  37 -10.340  -0.793  -5.531
  113    H    GLY  38           H        GLY  38  -9.570  -1.699  -8.266
  114   1HA   GLY  38          1HA       GLY  38  -7.104  -1.099  -9.315
  115   2HA   GLY  38          2HA       GLY  38  -8.626  -0.602 -10.030
  116    H    ASP  39           H        ASP  39  -9.388   1.167  -7.887
  117    HA   ASP  39           HA       ASP  39  -7.902   3.510  -8.842
  118   1HB   ASP  39          2HB       ASP  39 -10.473   2.931  -9.102
  119   2HB   ASP  39          3HB       ASP  39 -10.584   3.510  -7.440
  120    H    LEU  40           H        LEU  40  -7.892   1.571  -5.929
  121    HA   LEU  40           HA       LEU  40  -6.970   1.912  -3.979
  122   1HB   LEU  40          2HB       LEU  40  -6.092   4.701  -4.708
  123   2HB   LEU  40          3HB       LEU  40  -5.349   3.576  -3.589
  124    HG   LEU  40           HG       LEU  40  -5.387   3.187  -6.628
  125   1HD1  LEU  40          1HD1      LEU  40  -4.011   5.047  -6.138
  126   2HD1  LEU  40          2HD1      LEU  40  -3.252   4.228  -4.748
  127   3HD1  LEU  40          3HD1      LEU  40  -2.940   3.659  -6.403
  128   1HD2  LEU  40          1HD2      LEU  40  -3.876   1.660  -4.469
  129   2HD2  LEU  40          2HD2      LEU  40  -5.304   1.050  -5.338
  130   3HD2  LEU  40          3HD2      LEU  40  -3.824   1.403  -6.228
  131    H    THR  41           H        THR  41  -9.692   3.035  -4.787
  132    HA   THR  41           HA       THR  41 -10.292   5.209  -2.930
  133    HB   THR  41           HB       THR  41 -12.604   4.724  -4.003
  134    HG1  THR  41           1HG      THR  41 -12.404   3.455  -5.919
  135   1HG2  THR  41          1HG2      THR  41 -10.282   5.464  -5.843
  136   2HG2  THR  41          2HG2      THR  41 -11.998   5.789  -6.142
  137   3HG2  THR  41          3HG2      THR  41 -11.171   6.576  -4.789
  138    H    GLY  42           H        GLY  42  -9.966   1.837  -2.788
  139   1HA   GLY  42          1HA       GLY  42 -10.278   0.571  -0.891
  140   2HA   GLY  42          2HA       GLY  42 -11.528   1.660  -0.268
  141    H    ALA  43           H        ALA  43 -11.285  -1.276  -1.155
  142    HA   ALA  43           HA       ALA  43 -13.981  -1.476  -2.433
  143   1HB   ALA  43          1HB       ALA  43 -11.422  -2.694  -3.506
  144   2HB   ALA  43          2HB       ALA  43 -12.980  -3.511  -3.732
  145   3HB   ALA  43          3HB       ALA  43 -12.731  -1.871  -4.360
  146    H    SER  44           H        SER  44 -11.546  -3.937  -1.605
  147    HA   SER  44           HA       SER  44 -13.388  -5.105   0.412
  148   1HB   SER  44          2HB       SER  44 -10.756  -6.155  -0.673
  149   2HB   SER  44          3HB       SER  44 -11.920  -7.020   0.345
  150    HG   SER  44           HG       SER  44 -12.198  -7.513  -1.892
  151    H    ALA  45           H        ALA  45 -11.324  -2.583   0.494
  152    HA   ALA  45           HA       ALA  45 -10.304  -3.024   3.183
  153   1HB   ALA  45          1HB       ALA  45  -8.427  -2.596   0.796
  154   2HB   ALA  45          2HB       ALA  45  -7.960  -2.881   2.472
  155   3HB   ALA  45          3HB       ALA  45  -8.710  -4.174   1.565
  156    HA   PRO  46           HA       PRO  46 -10.975   1.301   3.171
  157   1HB   PRO  46          2HB       PRO  46  -8.989   2.451   4.703
  158   2HB   PRO  46          3HB       PRO  46 -10.251   1.377   5.367
  159   1HG   PRO  46          2HG       PRO  46  -7.416   0.684   4.626
  160   2HG   PRO  46          3HG       PRO  46  -8.331   0.204   6.079
  161   1HD   PRO  46          2HD       PRO  46  -7.991  -1.353   3.860
  162   2HD   PRO  46          3HD       PRO  46  -9.439  -1.519   4.899
  163    H    ALA  47           H        ALA  47 -10.315   3.440   2.326
  164    HA   ALA  47           HA       ALA  47  -8.845   3.136  -0.146
  165   1HB   ALA  47          1HB       ALA  47  -9.536   5.370  -0.565
  166   2HB   ALA  47          2HB       ALA  47 -10.870   4.553   0.290
  167   3HB   ALA  47          3HB       ALA  47  -9.832   5.693   1.162
  168    H    ILE  48           H        ILE  48  -6.749   3.439  -0.500
  169    HA   ILE  48           HA       ILE  48  -5.052   4.769   1.582
  170    HB   ILE  48           HB       ILE  48  -3.188   3.417   0.726
  171   1HG1  ILE  48          2HG1      ILE  48  -5.258   1.816  -0.826
  172   2HG1  ILE  48          3HG1      ILE  48  -4.123   2.970  -1.538
  173   1HG2  ILE  48          1HG2      ILE  48  -3.977   1.313   1.828
  174   2HG2  ILE  48          2HG2      ILE  48  -4.272   2.792   2.746
  175   3HG2  ILE  48          3HG2      ILE  48  -5.604   2.001   1.892
  176   1HD1  ILE  48          1HD1      ILE  48  -3.152   0.819  -1.815
  177   2HD1  ILE  48          2HD1      ILE  48  -2.219   1.637  -0.546
  178   3HD1  ILE  48          3HD1      ILE  48  -3.405   0.393  -0.119
  179    H    ASP  49           H        ASP  49  -6.501   5.372  -1.368
  180    HA   ASP  49           HA       ASP  49  -4.668   6.350  -3.028
  181   1HB   ASP  49          2HB       ASP  49  -7.085   6.581  -3.388
  182   2HB   ASP  49          3HB       ASP  49  -7.169   7.838  -2.141
  183    H    LYS  50           H        LYS  50  -5.746   8.074  -0.098
  184    HA   LYS  50           HA       LYS  50  -3.622  10.104  -0.361
  185   1HB   LYS  50          2HB       LYS  50  -4.942  11.435   1.104
  186   2HB   LYS  50          3HB       LYS  50  -5.992  10.854  -0.177
  187   1HG   LYS  50          2HG       LYS  50  -7.382   9.788   1.245
  188   2HG   LYS  50          3HG       LYS  50  -6.066   9.044   2.159
  189   1HD   LYS  50          2HD       LYS  50  -5.645  11.261   3.263
  190   2HD   LYS  50          3HD       LYS  50  -7.116  11.887   2.482
  191   1HE   LYS  50          2HE       LYS  50  -8.415  10.044   3.679
  192   2HE   LYS  50          3HE       LYS  50  -6.890   9.525   4.413
  193   1HZ   LYS  50          1HZ       LYS  50  -7.687  10.828   6.023
  194   2HZ   LYS  50          2HZ       LYS  50  -6.827  11.958   5.219
  195   3HZ   LYS  50          3HZ       LYS  50  -8.464  11.882   5.016
  196    H    ALA  51           H        ALA  51  -3.135   7.261   0.592
  197    HA   ALA  51           HA       ALA  51  -2.981   7.130   3.393
  198   1HB   ALA  51          1HB       ALA  51  -2.621   5.163   2.079
  199   2HB   ALA  51          2HB       ALA  51  -1.184   5.866   1.294
  200   3HB   ALA  51          3HB       ALA  51  -1.162   5.463   3.028
  201    H    GLY  52           H        GLY  52  -0.559   8.481   1.047
  202   1HA   GLY  52          1HA       GLY  52   1.460   9.201   2.767
  203   2HA   GLY  52          2HA       GLY  52   0.952  10.107   1.325
  204    H    ALA  53           H        ALA  53  -1.765  10.620   2.685
  205    HA   ALA  53           HA       ALA  53  -0.914  13.066   4.086
  206   1HB   ALA  53          1HB       ALA  53  -3.786  12.343   4.018
  207   2HB   ALA  53          2HB       ALA  53  -2.972  13.864   3.624
  208   3HB   ALA  53          3HB       ALA  53  -3.030  12.560   2.425
  209    H    ASN  54           H        ASN  54  -2.220   9.844   4.788
  210    HA   ASN  54           HA       ASN  54  -2.989  10.492   7.556
  211   1HB   ASN  54          2HB       ASN  54  -2.738   7.848   6.064
  212   2HB   ASN  54          3HB       ASN  54  -3.247   8.010   7.743
  213   1HD2  ASN  54          1HD2      ASN  54  -4.740   6.821   5.560
  214   2HD2  ASN  54          2HD2      ASN  54  -6.254   7.684   5.520
  215    H    TYR  55           H        TYR  55  -0.330   8.746   5.853
  216    HA   TYR  55           HA       TYR  55   1.324   8.828   8.329
  217   1HB   TYR  55          2HB       TYR  55   0.984   6.357   6.617
  218   2HB   TYR  55          3HB       TYR  55   1.745   6.489   8.195
  219    HD1  TYR  55           HD1      TYR  55  -1.013   5.183   6.574
  220    HD2  TYR  55           HD2      TYR  55   0.015   7.434  10.107
  221    HE1  TYR  55           HE1      TYR  55  -3.107   4.424   7.681
  222    HE2  TYR  55           HE2      TYR  55  -2.063   6.662  11.201
  223    HH   TYR  55           HH       TYR  55  -3.934   5.305  11.026
  224    H    SER  56           H        SER  56   3.642   8.576   7.842
  225    HA   SER  56           HA       SER  56   4.351   9.647   5.191
  226   1HB   SER  56          2HB       SER  56   6.104   8.945   7.584
  227   2HB   SER  56          3HB       SER  56   6.573   9.910   6.173
  228    HG   SER  56           HG       SER  56   4.957  11.418   6.770
  229    H    GLU  57           H        GLU  57   6.367   8.663   4.107
  230    HA   GLU  57           HA       GLU  57   5.832   6.129   3.108
  231   1HB   GLU  57          2HB       GLU  57   8.063   6.126   2.232
  232   2HB   GLU  57          3HB       GLU  57   7.229   7.633   1.891
  233   1HG   GLU  57          2HG       GLU  57   9.162   7.442   4.210
  234   2HG   GLU  57          3HG       GLU  57   9.675   7.649   2.549
  235    H    GLU  58           H        GLU  58   7.933   6.996   5.848
  236    HA   GLU  58           HA       GLU  58   9.041   4.453   6.279
  237   1HB   GLU  58          2HB       GLU  58   9.426   6.887   7.385
  238   2HB   GLU  58          3HB       GLU  58   8.417   6.200   8.663
  239   1HG   GLU  58          2HG       GLU  58  10.042   4.327   8.881
  240   2HG   GLU  58          3HG       GLU  58  10.977   4.982   7.522
  241    H    GLU  59           H        GLU  59   5.938   5.830   7.397
  242    HA   GLU  59           HA       GLU  59   5.313   3.612   9.191
  243   1HB   GLU  59          2HB       GLU  59   3.844   6.046   8.161
  244   2HB   GLU  59          3HB       GLU  59   3.094   4.865   9.258
  245   1HG   GLU  59          2HG       GLU  59   5.723   6.168  10.037
  246   2HG   GLU  59          3HG       GLU  59   4.197   7.044  10.223
  247    H    ILE  60           H        ILE  60   4.282   4.844   5.982
  248    HA   ILE  60           HA       ILE  60   2.294   2.881   5.491
  249    HB   ILE  60           HB       ILE  60   3.983   4.495   3.569
  250   1HG1  ILE  60          2HG1      ILE  60   1.172   4.789   4.731
  251   2HG1  ILE  60          3HG1      ILE  60   2.564   5.755   5.138
  252   1HG2  ILE  60          1HG2      ILE  60   2.820   2.351   2.574
  253   2HG2  ILE  60          2HG2      ILE  60   1.315   3.218   2.881
  254   3HG2  ILE  60          3HG2      ILE  60   2.533   3.902   1.798
  255   1HD1  ILE  60          1HD1      ILE  60   1.162   6.971   3.601
  256   2HD1  ILE  60          2HD1      ILE  60   2.688   6.589   2.782
  257   3HD1  ILE  60          3HD1      ILE  60   1.202   5.666   2.415
  258    H    LEU  61           H        LEU  61   5.798   3.017   4.785
  259    HA   LEU  61           HA       LEU  61   6.040   0.600   3.399
  260   1HB   LEU  61          2HB       LEU  61   7.874   2.263   3.566
  261   2HB   LEU  61          3HB       LEU  61   8.030   1.938   5.296
  262    HG   LEU  61           HG       LEU  61   8.721  -0.387   4.807
  263   1HD1  LEU  61          1HD1      LEU  61   8.224   0.494   1.951
  264   2HD1  LEU  61          2HD1      LEU  61   9.275  -0.887   2.334
  265   3HD1  LEU  61          3HD1      LEU  61   7.561  -0.920   2.770
  266   1HD2  LEU  61          1HD2      LEU  61  10.246   1.785   3.322
  267   2HD2  LEU  61          2HD2      LEU  61  10.444   1.291   5.016
  268   3HD2  LEU  61          3HD2      LEU  61  10.898   0.178   3.715
  269    H    ASP  62           H        ASP  62   6.350   1.263   6.939
  270    HA   ASP  62           HA       ASP  62   6.624  -1.400   7.746
  271   1HB   ASP  62          2HB       ASP  62   6.693   0.808   9.127
  272   2HB   ASP  62          3HB       ASP  62   4.950   0.570   9.336
  273    H    ILE  63           H        ILE  63   3.574   0.466   7.191
  274    HA   ILE  63           HA       ILE  63   1.876  -1.779   7.763
  275    HB   ILE  63           HB       ILE  63   1.307   0.673   6.065
  276   1HG1  ILE  63          2HG1      ILE  63   0.462   0.117   8.921
  277   2HG1  ILE  63          3HG1      ILE  63   1.908   1.027   8.490
  278   1HG2  ILE  63          1HG2      ILE  63  -0.348  -0.933   5.428
  279   2HG2  ILE  63          2HG2      ILE  63  -0.527  -1.516   7.101
  280   3HG2  ILE  63          3HG2      ILE  63  -1.122   0.077   6.641
  281   1HD1  ILE  63          1HD1      ILE  63  -0.951   1.846   7.926
  282   2HD1  ILE  63          2HD1      ILE  63   0.269   2.661   8.906
  283   3HD1  ILE  63          3HD1      ILE  63   0.454   2.613   7.146
  284    H    ILE  64           H        ILE  64   3.711  -1.132   4.844
  285    HA   ILE  64           HA       ILE  64   2.165  -3.122   3.292
  286    HB   ILE  64           HB       ILE  64   4.673  -1.542   2.686
  287   1HG1  ILE  64          2HG1      ILE  64   1.912  -1.444   1.396
  288   2HG1  ILE  64          3HG1      ILE  64   2.305  -0.445   2.788
  289   1HG2  ILE  64          1HG2      ILE  64   3.152  -3.574   1.001
  290   2HG2  ILE  64          2HG2      ILE  64   4.335  -2.434   0.335
  291   3HG2  ILE  64          3HG2      ILE  64   4.854  -3.661   1.487
  292   1HD1  ILE  64          1HD1      ILE  64   4.204   0.561   1.572
  293   2HD1  ILE  64          2HD1      ILE  64   3.732  -0.324   0.107
  294   3HD1  ILE  64          3HD1      ILE  64   2.642   0.878   0.811
  295    H    LEU  65           H        LEU  65   5.316  -2.918   4.934
  296    HA   LEU  65           HA       LEU  65   6.123  -5.595   4.211
  297   1HB   LEU  65          2HB       LEU  65   7.162  -3.544   6.199
  298   2HB   LEU  65          3HB       LEU  65   7.914  -5.117   5.963
  299    HG   LEU  65           HG       LEU  65   7.593  -2.983   3.810
  300   1HD1  LEU  65          1HD1      LEU  65   9.254  -2.470   5.634
  301   2HD1  LEU  65          2HD1      LEU  65  10.108  -3.968   5.226
  302   3HD1  LEU  65          3HD1      LEU  65   9.993  -2.658   4.034
  303   1HD2  LEU  65          1HD2      LEU  65   9.280  -4.466   2.581
  304   2HD2  LEU  65          2HD2      LEU  65   8.894  -5.739   3.751
  305   3HD2  LEU  65          3HD2      LEU  65   7.636  -5.105   2.662
  306    H    ASN  66           H        ASN  66   4.158  -4.335   6.915
  307    HA   ASN  66           HA       ASN  66   4.508  -6.950   8.356
  308   1HB   ASN  66          2HB       ASN  66   4.408  -4.183   9.599
  309   2HB   ASN  66          3HB       ASN  66   4.518  -5.720  10.462
  310   1HD2  ASN  66          1HD2      ASN  66   6.330  -3.186   9.900
  311   2HD2  ASN  66          2HD2      ASN  66   7.918  -3.898   9.634
  312    H    GLY  67           H        GLY  67   2.697  -5.725   6.527
  313   1HA   GLY  67          1HA       GLY  67   0.443  -4.987   6.144
  314   2HA   GLY  67          2HA       GLY  67   0.140  -6.506   6.827
  315    H    GLN  68           H        GLN  68  -1.767  -5.945   8.103
  316    HA   GLN  68           HA       GLN  68  -1.709  -4.758  10.592
  317   1HB   GLN  68          2HB       GLN  68  -1.181  -2.571   9.719
  318   2HB   GLN  68          3HB       GLN  68  -2.403  -2.682   8.448
  319   1HG   GLN  68          2HG       GLN  68  -4.158  -2.499  10.230
  320   2HG   GLN  68          3HG       GLN  68  -2.887  -2.568  11.460
  321   1HE2  GLN  68          1HE2      GLN  68  -4.542  -0.456   9.111
  322   2HE2  GLN  68          2HE2      GLN  68  -3.669   0.965   9.564
  323    H    GLY  69           H        GLY  69  -3.886  -5.103  11.636
  324   1HA   GLY  69          1HA       GLY  69  -5.642  -6.499  11.750
  325   2HA   GLY  69          2HA       GLY  69  -6.319  -5.192  10.796
  326    H    GLY  70           H        GLY  70  -7.348  -5.870   8.901
  327   1HA   GLY  70          1HA       GLY  70  -7.356  -8.647   8.152
  328   2HA   GLY  70          2HA       GLY  70  -8.068  -7.301   7.255
  329    H    MET  71           H        MET  71  -5.270  -5.994   7.250
  330    HA   MET  71           HA       MET  71  -4.495  -6.942   4.675
  331   1HB   MET  71          1HB       MET  71  -4.337  -4.578   5.567
  332   2HB   MET  71          2HB       MET  71  -2.937  -5.058   6.481
  333   1HG   MET  71          1HG       MET  71  -1.683  -5.696   4.663
  334   2HG   MET  71          2HG       MET  71  -3.006  -5.594   3.513
  335   1HE   MET  71          1HE       MET  71  -0.838  -4.508   2.382
  336   2HE   MET  71          2HE       MET  71  -0.120  -2.942   2.860
  337   3HE   MET  71          3HE       MET  71   0.080  -4.385   3.881
  338    HA   PRO  72           HA       PRO  72  -1.682  -9.976   6.541
  339   1HB   PRO  72          2HB       PRO  72  -0.826 -11.224   4.236
  340   2HB   PRO  72          3HB       PRO  72  -2.336 -11.528   5.138
  341   1HG   PRO  72          2HG       PRO  72  -1.871  -9.899   2.624
  342   2HG   PRO  72          3HG       PRO  72  -3.274 -10.937   2.986
  343   1HD   PRO  72          2HD       PRO  72  -3.216  -8.151   3.279
  344   2HD   PRO  72          3HD       PRO  72  -4.314  -9.214   4.172
  345    H    GLY  73           H        GLY  73   0.166  -9.304   7.249
  346   1HA   GLY  73          1HA       GLY  73   1.849  -7.556   6.029
  347   2HA   GLY  73          2HA       GLY  73   2.398  -8.612   7.361
  348    H    GLY  74           H        GLY  74   3.253  -7.305   4.643
  349   1HA   GLY  74          1HA       GLY  74   5.179  -7.872   3.394
  350   2HA   GLY  74          2HA       GLY  74   5.071  -9.542   3.966
  351    H    ILE  75           H        ILE  75   2.719  -7.439   2.319
  352    HA   ILE  75           HA       ILE  75   1.953  -9.445   0.374
  353    HB   ILE  75           HB       ILE  75   1.211  -6.686   1.238
  354   1HG1  ILE  75          2HG1      ILE  75  -0.553  -8.801   0.023
  355   2HG1  ILE  75          3HG1      ILE  75   0.112  -8.997   1.654
  356   1HG2  ILE  75          1HG2      ILE  75   0.743  -7.656  -1.666
  357   2HG2  ILE  75          2HG2      ILE  75  -0.053  -6.259  -0.942
  358   3HG2  ILE  75          3HG2      ILE  75   1.676  -6.214  -1.221
  359   1HD1  ILE  75          1HD1      ILE  75  -1.231  -6.417   0.895
  360   2HD1  ILE  75          2HD1      ILE  75  -2.179  -7.818   1.402
  361   3HD1  ILE  75          3HD1      ILE  75  -0.971  -7.090   2.497
  362    H    ALA  76           H        ALA  76   3.783  -6.391   0.130
  363    HA   ALA  76           HA       ALA  76   5.370  -7.477  -2.132
  364   1HB   ALA  76          1HB       ALA  76   4.925  -4.669  -1.004
  365   2HB   ALA  76          2HB       ALA  76   6.167  -5.054  -2.201
  366   3HB   ALA  76          3HB       ALA  76   4.447  -5.280  -2.608
  367    H    LYS  77           H        LYS  77   7.708  -7.308  -1.950
  368    HA   LYS  77           HA       LYS  77   8.903  -6.881   0.710
  369   1HB   LYS  77          2HB       LYS  77   8.848  -9.530  -0.782
  370   2HB   LYS  77          3HB       LYS  77  10.202  -9.123   0.278
  371   1HG   LYS  77          2HG       LYS  77   8.863  -8.995   2.215
  372   2HG   LYS  77          3HG       LYS  77   7.354  -8.978   1.286
  373   1HD   LYS  77          2HD       LYS  77   7.820 -11.262   0.447
  374   2HD   LYS  77          3HD       LYS  77   9.223 -11.382   1.516
  375   1HE   LYS  77          2HE       LYS  77   6.337 -10.829   2.374
  376   2HE   LYS  77          3HE       LYS  77   7.063 -12.430   2.397
  377   1HZ   LYS  77          1HZ       LYS  77   7.057 -11.314   4.542
  378   2HZ   LYS  77          2HZ       LYS  77   8.587 -11.676   4.057
  379   3HZ   LYS  77          3HZ       LYS  77   8.031 -10.125   3.970
  380    H    GLY  78           H        GLY  78  11.205  -6.573   0.554
  381   1HA   GLY  78          1HA       GLY  78  13.147  -5.874  -0.482
  382   2HA   GLY  78          2HA       GLY  78  12.535  -6.476  -2.032
  383    H    ALA  79           H        ALA  79  13.585  -4.395  -2.722
  384    HA   ALA  79           HA       ALA  79  12.827  -1.829  -2.042
  385   1HB   ALA  79          1HB       ALA  79  13.613  -1.184  -4.298
  386   2HB   ALA  79          2HB       ALA  79  14.716  -2.317  -3.496
  387   3HB   ALA  79          3HB       ALA  79  13.625  -2.893  -4.781
  388    H    GLU  80           H        GLU  80  10.988  -4.129  -3.924
  389    HA   GLU  80           HA       GLU  80   9.052  -2.657  -5.255
  390   1HB   GLU  80          2HB       GLU  80   9.284  -5.149  -5.144
  391   2HB   GLU  80          3HB       GLU  80   8.707  -5.122  -3.470
  392   1HG   GLU  80          2HG       GLU  80   6.549  -4.228  -4.205
  393   2HG   GLU  80          3HG       GLU  80   7.159  -4.150  -5.856
  394    H    ALA  81           H        ALA  81   8.997  -3.635  -1.792
  395    HA   ALA  81           HA       ALA  81   6.528  -2.314  -1.208
  396   1HB   ALA  81          1HB       ALA  81   7.364  -4.146   0.165
  397   2HB   ALA  81          2HB       ALA  81   8.779  -3.178   0.643
  398   3HB   ALA  81          3HB       ALA  81   7.148  -2.690   1.155
  399    H    GLU  82           H        GLU  82   9.939  -1.312  -0.735
  400    HA   GLU  82           HA       GLU  82   9.525   1.247   0.411
  401   1HB   GLU  82          2HB       GLU  82  11.706  -0.100  -1.128
  402   2HB   GLU  82          3HB       GLU  82  11.676   1.651  -1.231
  403   1HG   GLU  82          2HG       GLU  82  11.569   1.756   1.281
  404   2HG   GLU  82          3HG       GLU  82  11.881   0.007   1.307
  405    H    ALA  83           H        ALA  83   9.858   0.422  -3.055
  406    HA   ALA  83           HA       ALA  83   9.487   3.018  -4.056
  407   1HB   ALA  83          1HB       ALA  83   8.894   1.884  -6.180
  408   2HB   ALA  83          2HB       ALA  83  10.316   1.156  -5.412
  409   3HB   ALA  83          3HB       ALA  83   8.742   0.339  -5.316
  410    H    VAL  84           H        VAL  84   7.053   0.443  -3.448
  411    HA   VAL  84           HA       VAL  84   4.786   1.988  -4.236
  412    HB   VAL  84           HB       VAL  84   5.015  -0.331  -2.285
  413   1HG1  VAL  84          1HG1      VAL  84   2.969   0.859  -1.795
  414   2HG1  VAL  84          2HG1      VAL  84   2.656   1.147  -3.506
  415   3HG1  VAL  84          3HG1      VAL  84   2.529  -0.504  -2.853
  416   1HG2  VAL  84          1HG2      VAL  84   4.083  -0.194  -5.193
  417   2HG2  VAL  84          2HG2      VAL  84   5.654  -0.820  -4.694
  418   3HG2  VAL  84          3HG2      VAL  84   4.181  -1.642  -4.166
  419    H    ALA  85           H        ALA  85   6.104   1.477  -0.945
  420    HA   ALA  85           HA       ALA  85   4.377   3.103   0.493
  421   1HB   ALA  85          1HB       ALA  85   6.137   3.309   2.151
  422   2HB   ALA  85          2HB       ALA  85   6.173   1.670   1.458
  423   3HB   ALA  85          3HB       ALA  85   7.384   2.868   0.976
  424    H    ALA  86           H        ALA  86   7.467   4.094  -1.017
  425    HA   ALA  86           HA       ALA  86   7.326   6.856  -0.331
  426   1HB   ALA  86          1HB       ALA  86   8.983   7.154  -2.148
  427   2HB   ALA  86          2HB       ALA  86   9.402   5.828  -1.044
  428   3HB   ALA  86          3HB       ALA  86   8.729   5.465  -2.650
  429    H    TRP  87           H        TRP  87   6.420   5.174  -3.396
  430    HA   TRP  87           HA       TRP  87   5.336   7.352  -4.758
  431   1HB   TRP  87          2HB       TRP  87   5.757   5.175  -5.726
  432   2HB   TRP  87          3HB       TRP  87   4.544   4.426  -4.699
  433    HD1  TRP  87           HD1      TRP  87   4.665   7.084  -7.501
  434    HE1  TRP  87           HE1      TRP  87   2.646   6.671  -9.075
  435    HE3  TRP  87           HE3      TRP  87   2.411   3.196  -5.034
  436    HZ2  TRP  87           HZ2      TRP  87   0.207   5.190  -9.031
  437    HZ3  TRP  87           HZ3      TRP  87   0.171   2.440  -5.741
  438    HH2  TRP  87           HH2      TRP  87  -0.879   3.316  -7.791
  439    H    LEU  88           H        LEU  88   3.703   5.213  -2.406
  440    HA   LEU  88           HA       LEU  88   1.153   6.567  -2.446
  441   1HB   LEU  88          2HB       LEU  88   2.515   4.566  -0.635
  442   2HB   LEU  88          3HB       LEU  88   1.074   5.378  -0.077
  443    HG   LEU  88           HG       LEU  88   1.090   3.025  -1.442
  444   1HD1  LEU  88          1HD1      LEU  88  -0.834   3.853  -0.139
  445   2HD1  LEU  88          2HD1      LEU  88  -1.120   5.136  -1.345
  446   3HD1  LEU  88          3HD1      LEU  88  -1.373   3.440  -1.788
  447   1HD2  LEU  88          1HD2      LEU  88   1.692   4.299  -3.472
  448   2HD2  LEU  88          2HD2      LEU  88   0.292   3.200  -3.578
  449   3HD2  LEU  88          3HD2      LEU  88   0.043   4.959  -3.505
  450    H    ALA  89           H        ALA  89   4.135   7.171  -0.608
  451    HA   ALA  89           HA       ALA  89   2.936   9.066   1.187
  452   1HB   ALA  89          1HB       ALA  89   5.829   8.886   0.330
  453   2HB   ALA  89          2HB       ALA  89   5.168   9.706   1.752
  454   3HB   ALA  89          3HB       ALA  89   5.045   7.940   1.622
  455    H    GLU  90           H        GLU  90   4.704   9.360  -1.911
  456    HA   GLU  90           HA       GLU  90   4.391  12.134  -2.292
  457   1HB   GLU  90          2HB       GLU  90   4.727   9.794  -4.194
  458   2HB   GLU  90          3HB       GLU  90   4.380  11.414  -4.805
  459   1HG   GLU  90          2HG       GLU  90   6.741  11.126  -4.860
  460   2HG   GLU  90          3HG       GLU  90   6.378  12.298  -3.591
  461    H    LYS  91           H        LYS  91   2.045   9.461  -2.934
  462    HA   LYS  91           HA       LYS  91   0.157  11.309  -4.176
  463   1HB   LYS  91          2HB       LYS  91  -0.476   8.597  -2.963
  464   2HB   LYS  91          3HB       LYS  91  -1.450   9.603  -4.055
  465   1HG   LYS  91          2HG       LYS  91   0.914   9.326  -5.481
  466   2HG   LYS  91          3HG       LYS  91   0.798   7.765  -4.674
  467   1HD   LYS  91          2HD       LYS  91  -1.361   9.028  -6.440
  468   2HD   LYS  91          3HD       LYS  91  -0.213   7.774  -6.902
  469   1HE   LYS  91          2HE       LYS  91  -2.228   6.647  -6.490
  470   2HE   LYS  91          3HE       LYS  91  -1.155   6.255  -5.147
  471   1HZ   LYS  91          1HZ       LYS  91  -2.490   7.871  -3.772
  472   2HZ   LYS  91          2HZ       LYS  91  -3.500   8.136  -5.031
  473   3HZ   LYS  91          3HZ       LYS  91  -3.386   6.696  -4.436
  474    H    LYS  92           H        LYS  92  -1.508  12.486  -3.231
  475    HA   LYS  92           HA       LYS  92  -2.269  11.976  -0.440
  476   1HB   LYS  92          2HB       LYS  92  -1.401  14.731  -1.404
  477   2HB   LYS  92          3HB       LYS  92  -2.106  14.310   0.167
  478   1HG   LYS  92          2HG       LYS  92  -0.058  12.750   0.481
  479   2HG   LYS  92          3HG       LYS  92   0.614  13.542  -0.957
  480   1HD   LYS  92          2HD       LYS  92   0.005  15.769   0.331
  481   2HD   LYS  92          3HD       LYS  92  -0.064  14.708   1.757
  482   1HE   LYS  92          2HE       LYS  92   2.288  13.923   1.190
  483   2HE   LYS  92          3HE       LYS  92   2.306  15.081  -0.151
  484   1HZ   LYS  92          1HZ       LYS  92   1.994  16.845   1.470
  485   2HZ   LYS  92          2HZ       LYS  92   2.060  15.751   2.703
  486   3HZ   LYS  92          3HZ       LYS  92   3.378  15.997   1.749
  487    HHA  HEC  93           HHA      HEC  93  -4.972  -0.427   6.251
  488    HHB  HEC  93           HHB      HEC  93  -0.566   0.872   1.799
  489    HHC  HEC  93           HHC      HEC  93  -1.816  -4.872  -0.905
  490    HHD  HEC  93           HHD      HEC  93  -6.796  -5.660   3.042
  491   1HMA  HEC  93          1HMA      HEC  93  -1.233   3.058   4.864
  492   2HMA  HEC  93          2HMA      HEC  93  -0.037   1.944   4.207
  493   3HMA  HEC  93          3HMA      HEC  93  -1.087   2.889   3.118
  494   1HAA  HEC  93          1HAA      HEC  93  -2.702   2.573   6.351
  495   2HAA  HEC  93          2HAA      HEC  93  -3.407   1.152   7.058
  496   1HBA  HEC  93          1HBA      HEC  93  -5.287   2.006   5.078
  497   2HBA  HEC  93          2HBA      HEC  93  -4.682   3.490   5.802
  498   1HMB  HEC  93          1HMB      HEC  93   1.367  -0.425  -0.922
  499   2HMB  HEC  93          2HMB      HEC  93  -0.089   0.312  -1.623
  500   3HMB  HEC  93          3HMB      HEC  93   0.495   0.818  -0.048
  501    HAB  HEC  93           HAB      HEC  93  -0.331  -3.991  -2.042
  502   1HBB  HEC  93          1HBB      HEC  93   2.133  -2.371  -1.388
  503   2HBB  HEC  93          2HBB      HEC  93   1.709  -3.958  -0.738
  504   3HBB  HEC  93          3HBB      HEC  93   1.993  -3.755  -2.478
  505   1HMC  HEC  93          1HMC      HEC  93  -4.202  -6.543  -1.899
  506   2HMC  HEC  93          2HMC      HEC  93  -2.572  -6.865  -1.278
  507   3HMC  HEC  93          3HMC      HEC  93  -3.883  -7.957  -0.879
  508    HAC  HEC  93           HAC      HEC  93  -7.013  -7.056   1.473
  509   1HBC  HEC  93          1HBC      HEC  93  -4.942  -9.102   0.628
  510   2HBC  HEC  93          2HBC      HEC  93  -5.404  -8.691   2.291
  511   3HBC  HEC  93          3HBC      HEC  93  -6.597  -9.384   1.188
  512   1HMD  HEC  93          1HMD      HEC  93  -7.680  -5.459   5.824
  513   2HMD  HEC  93          2HMD      HEC  93  -8.783  -4.080   5.832
  514   3HMD  HEC  93          3HMD      HEC  93  -8.532  -4.978   4.341
  515   1HAD  HEC  93          1HAD      HEC  93  -8.061  -2.322   6.994
  516   2HAD  HEC  93          2HAD      HEC  93  -6.714  -1.249   7.299
  517   1HBD  HEC  93          1HBD      HEC  93  -5.461  -2.904   8.388
  518   2HBD  HEC  93          2HBD      HEC  93  -6.340  -4.221   7.609
  Start of MODEL   15
    1   1H    VAL  22          H1        VAL  22  11.517   1.305  -8.995
    2   2H    VAL  22          H2        VAL  22  12.293   0.320  -7.929
    3   3H    VAL  22          H3        VAL  22  12.841   0.426  -9.501
    4    HA   VAL  22           HA       VAL  22  11.414  -1.092 -10.197
    5    HB   VAL  22           HB       VAL  22  11.876  -1.796  -7.695
    6   1HG1  VAL  22          1HG1      VAL  22  10.248  -1.579  -6.147
    7   2HG1  VAL  22          2HG1      VAL  22  10.235  -0.009  -6.921
    8   3HG1  VAL  22          3HG1      VAL  22   8.951  -1.187  -7.295
    9   1HG2  VAL  22          1HG2      VAL  22  10.364  -3.666  -7.723
   10   2HG2  VAL  22          2HG2      VAL  22   9.339  -2.916  -8.962
   11   3HG2  VAL  22          3HG2      VAL  22  10.997  -3.425  -9.363
   12    H    ASP  23           H        ASP  23   8.890  -1.413 -10.559
   13    HA   ASP  23           HA       ASP  23   7.830   1.326 -10.830
   14   1HB   ASP  23          2HB       ASP  23   6.946  -1.355 -11.928
   15   2HB   ASP  23          3HB       ASP  23   6.220   0.219 -12.325
   16    H    ALA  24           H        ALA  24   7.173   1.910  -8.816
   17    HA   ALA  24           HA       ALA  24   5.830   0.453  -6.877
   18   1HB   ALA  24          1HB       ALA  24   5.562   3.393  -7.650
   19   2HB   ALA  24          2HB       ALA  24   4.895   2.675  -6.175
   20   3HB   ALA  24          3HB       ALA  24   6.652   2.686  -6.441
   21    H    GLU  25           H        GLU  25   4.258   2.585  -9.295
   22    HA   GLU  25           HA       GLU  25   1.616   1.889  -8.792
   23   1HB   GLU  25          2HB       GLU  25   1.249   2.468 -11.260
   24   2HB   GLU  25          3HB       GLU  25   1.851   3.718 -10.180
   25   1HG   GLU  25          2HG       GLU  25   4.084   3.551 -11.012
   26   2HG   GLU  25          3HG       GLU  25   3.675   2.111 -11.978
   27    H    ALA  26           H        ALA  26   3.948   0.166 -10.939
   28    HA   ALA  26           HA       ALA  26   2.057  -1.687 -11.979
   29   1HB   ALA  26          1HB       ALA  26   3.932  -3.029 -12.637
   30   2HB   ALA  26          2HB       ALA  26   4.379  -1.326 -12.872
   31   3HB   ALA  26          3HB       ALA  26   4.993  -2.241 -11.468
   32    H    VAL  27           H        VAL  27   4.230  -1.866  -9.117
   33    HA   VAL  27           HA       VAL  27   3.443  -4.473  -8.264
   34    HB   VAL  27           HB       VAL  27   4.369  -2.078  -6.627
   35   1HG1  VAL  27          1HG1      VAL  27   4.976  -3.736  -4.900
   36   2HG1  VAL  27          2HG1      VAL  27   3.232  -3.775  -5.170
   37   3HG1  VAL  27          3HG1      VAL  27   4.285  -5.021  -5.884
   38   1HG2  VAL  27          1HG2      VAL  27   5.985  -2.978  -8.393
   39   2HG2  VAL  27          2HG2      VAL  27   6.540  -3.063  -6.719
   40   3HG2  VAL  27          3HG2      VAL  27   5.934  -4.523  -7.542
   41    H    VAL  28           H        VAL  28   2.178  -1.237  -7.298
   42    HA   VAL  28           HA       VAL  28   0.166  -2.249  -5.605
   43    HB   VAL  28           HB       VAL  28   0.326   0.343  -7.182
   44   1HG1  VAL  28          1HG1      VAL  28  -2.000  -0.452  -5.987
   45   2HG1  VAL  28          2HG1      VAL  28  -1.238   0.385  -4.647
   46   3HG1  VAL  28          3HG1      VAL  28  -1.487   1.206  -6.199
   47   1HG2  VAL  28          1HG2      VAL  28   1.554  -0.696  -4.686
   48   2HG2  VAL  28          2HG2      VAL  28   2.077   0.631  -5.733
   49   3HG2  VAL  28          3HG2      VAL  28   0.855   0.903  -4.500
   50    H    GLN  29           H        GLN  29  -0.017  -1.429  -9.019
   51    HA   GLN  29           HA       GLN  29  -2.666  -2.064  -9.636
   52   1HB   GLN  29          2HB       GLN  29  -0.120  -2.144 -11.226
   53   2HB   GLN  29          3HB       GLN  29  -1.664  -2.605 -11.925
   54   1HG   GLN  29          2HG       GLN  29  -1.316   0.081 -10.518
   55   2HG   GLN  29          3HG       GLN  29  -0.893  -0.165 -12.211
   56   1HE2  GLN  29          1HE2      GLN  29  -3.519   0.443 -10.007
   57   2HE2  GLN  29          2HE2      GLN  29  -4.785   0.349 -11.207
   58    H    GLN  30           H        GLN  30  -0.120  -4.295  -8.648
   59    HA   GLN  30           HA       GLN  30  -2.106  -6.420  -9.041
   60   1HB   GLN  30          2HB       GLN  30  -0.644  -6.351 -11.076
   61   2HB   GLN  30          3HB       GLN  30   0.746  -6.731 -10.057
   62   1HG   GLN  30          2HG       GLN  30   0.227  -8.937 -10.070
   63   2HG   GLN  30          3HG       GLN  30  -1.395  -8.606  -9.460
   64   1HE2  GLN  30          1HE2      GLN  30  -2.434 -10.172 -10.682
   65   2HE2  GLN  30          2HE2      GLN  30  -2.598 -10.029 -12.428
   66    H    LYS  31           H        LYS  31  -1.545  -5.155  -6.715
   67    HA   LYS  31           HA       LYS  31  -1.161  -7.501  -5.116
   68   1HB   LYS  31          2HB       LYS  31   1.052  -5.425  -5.031
   69   2HB   LYS  31          3HB       LYS  31   0.530  -6.184  -3.547
   70   1HG   LYS  31          2HG       LYS  31   1.731  -8.003  -3.900
   71   2HG   LYS  31          3HG       LYS  31   0.869  -8.344  -5.384
   72   1HD   LYS  31          2HD       LYS  31   2.478  -6.529  -6.439
   73   2HD   LYS  31          3HD       LYS  31   3.421  -6.815  -4.944
   74   1HE   LYS  31          2HE       LYS  31   3.343  -9.306  -5.542
   75   2HE   LYS  31          3HE       LYS  31   2.639  -8.844  -7.103
   76   1HZ   LYS  31          1HZ       LYS  31   5.241  -7.814  -6.147
   77   2HZ   LYS  31          2HZ       LYS  31   5.098  -9.178  -7.044
   78   3HZ   LYS  31          3HZ       LYS  31   4.627  -7.736  -7.671
   79    H    CYS  32           H        CYS  32  -1.340  -3.890  -5.064
   80    HA   CYS  32           HA       CYS  32  -2.661  -4.076  -2.441
   81   1HB   CYS  32          2HB       CYS  32  -2.261  -1.561  -4.021
   82   2HB   CYS  32          3HB       CYS  32  -2.450  -1.767  -2.283
   83    H    ILE  33           H        ILE  33  -3.408  -2.926  -5.684
   84    HA   ILE  33           HA       ILE  33  -6.029  -2.072  -5.235
   85    HB   ILE  33           HB       ILE  33  -6.377  -2.462  -7.650
   86   1HG1  ILE  33          2HG1      ILE  33  -4.107  -3.253  -8.788
   87   2HG1  ILE  33          3HG1      ILE  33  -4.046  -4.314  -7.394
   88   1HG2  ILE  33          1HG2      ILE  33  -4.391  -1.071  -8.465
   89   2HG2  ILE  33          2HG2      ILE  33  -5.258  -0.411  -7.091
   90   3HG2  ILE  33          3HG2      ILE  33  -3.731  -1.236  -6.838
   91   1HD1  ILE  33          1HD1      ILE  33  -6.411  -5.058  -8.115
   92   2HD1  ILE  33          2HD1      ILE  33  -6.207  -3.984  -9.519
   93   3HD1  ILE  33          3HD1      ILE  33  -5.125  -5.369  -9.300
   94    H    SER  34           H        SER  34  -4.789  -5.372  -5.602
   95    HA   SER  34           HA       SER  34  -6.896  -6.948  -6.133
   96   1HB   SER  34          2HB       SER  34  -4.979  -7.351  -3.808
   97   2HB   SER  34          3HB       SER  34  -5.731  -8.597  -4.824
   98    HG   SER  34           HG       SER  34  -3.573  -8.101  -5.487
   99    H    CYS  35           H        CYS  35  -6.416  -5.090  -3.131
  100    HA   CYS  35           HA       CYS  35  -9.172  -5.898  -2.239
  101   1HB   CYS  35          2HB       CYS  35  -6.911  -4.928  -0.501
  102   2HB   CYS  35          3HB       CYS  35  -8.472  -5.583   0.021
  103    H    HIS  36           HN       HIS  36  -6.719  -3.277  -2.388
  104    HA   HIS  36           HA       HIS  36  -8.520  -1.263  -1.380
  105   1HB   HIS  36          2HB       HIS  36  -5.754  -1.245  -2.652
  106   2HB   HIS  36          3HB       HIS  36  -6.571   0.208  -2.109
  107    HD1  HIS  36           HD1      HIS  36  -7.529  -0.087   0.599
  108    HD2  HIS  36           HD2      HIS  36  -4.233  -2.318  -0.718
  109    HE1  HIS  36           1HE      HIS  36  -6.318  -0.829   2.688
  110    H    GLY  37           H        GLY  37  -8.387  -2.724  -4.433
  111   1HA   GLY  37          1HA       GLY  37  -9.821  -2.378  -6.179
  112   2HA   GLY  37          2HA       GLY  37 -10.246  -0.758  -5.584
  113    H    GLY  38           H        GLY  38  -9.331  -1.637  -8.309
  114   1HA   GLY  38          1HA       GLY  38  -6.782  -0.946  -9.146
  115   2HA   GLY  38          2HA       GLY  38  -8.261  -0.538 -10.004
  116    H    ASP  39           H        ASP  39  -9.352   1.197  -8.028
  117    HA   ASP  39           HA       ASP  39  -7.936   3.643  -8.797
  118   1HB   ASP  39          2HB       ASP  39 -10.714   2.934  -7.812
  119   2HB   ASP  39          3HB       ASP  39 -10.113   4.589  -7.705
  120    H    LEU  40           H        LEU  40  -7.948   1.571  -5.912
  121    HA   LEU  40           HA       LEU  40  -6.916   1.830  -4.036
  122   1HB   LEU  40          2HB       LEU  40  -6.025   4.635  -4.689
  123   2HB   LEU  40          3HB       LEU  40  -5.235   3.463  -3.660
  124    HG   LEU  40           HG       LEU  40  -5.474   2.986  -6.681
  125   1HD1  LEU  40          1HD1      LEU  40  -3.271   3.868  -6.949
  126   2HD1  LEU  40          2HD1      LEU  40  -4.369   5.121  -6.356
  127   3HD1  LEU  40          3HD1      LEU  40  -3.207   4.365  -5.238
  128   1HD2  LEU  40          1HD2      LEU  40  -4.968   1.043  -5.161
  129   2HD2  LEU  40          2HD2      LEU  40  -3.725   1.434  -6.357
  130   3HD2  LEU  40          3HD2      LEU  40  -3.498   1.906  -4.653
  131    H    THR  41           H        THR  41  -9.616   3.070  -4.794
  132    HA   THR  41           HA       THR  41 -10.179   5.226  -2.917
  133    HB   THR  41           HB       THR  41 -12.494   4.773  -4.081
  134    HG1  THR  41           1HG      THR  41 -12.160   2.767  -4.924
  135   1HG2  THR  41          1HG2      THR  41 -11.146   6.676  -4.733
  136   2HG2  THR  41          2HG2      THR  41 -10.044   5.652  -5.666
  137   3HG2  THR  41          3HG2      THR  41 -11.725   5.863  -6.201
  138    H    GLY  42           H        GLY  42  -9.871   1.890  -2.732
  139   1HA   GLY  42          1HA       GLY  42 -10.271   0.607  -0.872
  140   2HA   GLY  42          2HA       GLY  42 -11.541   1.699  -0.290
  141    H    ALA  43           H        ALA  43 -11.447  -1.217  -0.963
  142    HA   ALA  43           HA       ALA  43 -14.023  -1.374  -2.417
  143   1HB   ALA  43          1HB       ALA  43 -11.469  -2.670  -3.450
  144   2HB   ALA  43          2HB       ALA  43 -13.077  -3.327  -3.810
  145   3HB   ALA  43          3HB       ALA  43 -12.652  -1.682  -4.318
  146    H    SER  44           H        SER  44 -11.577  -3.826  -1.592
  147    HA   SER  44           HA       SER  44 -13.518  -5.168   0.211
  148   1HB   SER  44          2HB       SER  44 -12.004  -6.287  -1.658
  149   2HB   SER  44          3HB       SER  44 -10.747  -6.185  -0.415
  150    HG   SER  44           HG       SER  44 -13.291  -7.440  -0.173
  151    H    ALA  45           H        ALA  45 -11.491  -2.592   0.521
  152    HA   ALA  45           HA       ALA  45 -10.734  -3.012   3.275
  153   1HB   ALA  45          1HB       ALA  45  -8.365  -3.175   2.859
  154   2HB   ALA  45          2HB       ALA  45  -9.077  -4.326   1.767
  155   3HB   ALA  45          3HB       ALA  45  -8.548  -2.750   1.148
  156    HA   PRO  46           HA       PRO  46 -11.110   1.325   3.142
  157   1HB   PRO  46          2HB       PRO  46  -9.002   2.402   4.619
  158   2HB   PRO  46          3HB       PRO  46 -10.402   1.540   5.315
  159   1HG   PRO  46          2HG       PRO  46  -7.646   0.485   4.746
  160   2HG   PRO  46          3HG       PRO  46  -8.693   0.176   6.159
  161   1HD   PRO  46          2HD       PRO  46  -8.399  -1.539   4.098
  162   2HD   PRO  46          3HD       PRO  46  -9.932  -1.447   5.010
  163    H    ALA  47           H        ALA  47 -10.325   3.445   2.288
  164    HA   ALA  47           HA       ALA  47  -8.835   3.056  -0.177
  165   1HB   ALA  47          1HB       ALA  47  -9.718   5.655   1.139
  166   2HB   ALA  47          2HB       ALA  47  -9.365   5.362  -0.577
  167   3HB   ALA  47          3HB       ALA  47 -10.789   4.615   0.189
  168    H    ILE  48           H        ILE  48  -6.736   3.511  -0.593
  169    HA   ILE  48           HA       ILE  48  -5.079   4.735   1.589
  170    HB   ILE  48           HB       ILE  48  -3.187   3.480   0.879
  171   1HG1  ILE  48          2HG1      ILE  48  -5.003   2.021  -1.093
  172   2HG1  ILE  48          3HG1      ILE  48  -3.738   3.184  -1.516
  173   1HG2  ILE  48          1HG2      ILE  48  -5.508   1.585   1.331
  174   2HG2  ILE  48          2HG2      ILE  48  -3.829   1.407   1.856
  175   3HG2  ILE  48          3HG2      ILE  48  -4.852   2.638   2.599
  176   1HD1  ILE  48          1HD1      ILE  48  -2.768   1.021  -1.787
  177   2HD1  ILE  48          2HD1      ILE  48  -2.080   1.683  -0.288
  178   3HD1  ILE  48          3HD1      ILE  48  -3.365   0.467  -0.214
  179    H    ASP  49           H        ASP  49  -6.513   5.486  -1.240
  180    HA   ASP  49           HA       ASP  49  -4.762   6.808  -2.873
  181   1HB   ASP  49          2HB       ASP  49  -6.583   8.261  -3.382
  182   2HB   ASP  49          3HB       ASP  49  -7.276   6.677  -3.036
  183    H    LYS  50           H        LYS  50  -6.029   8.013   0.250
  184    HA   LYS  50           HA       LYS  50  -3.914  10.120   0.359
  185   1HB   LYS  50          2HB       LYS  50  -6.522   9.776   1.893
  186   2HB   LYS  50          3HB       LYS  50  -5.396  11.128   2.038
  187   1HG   LYS  50          2HG       LYS  50  -5.885  11.001  -0.732
  188   2HG   LYS  50          3HG       LYS  50  -7.445  10.588  -0.007
  189   1HD   LYS  50          2HD       LYS  50  -7.216  12.631   1.470
  190   2HD   LYS  50          3HD       LYS  50  -5.701  13.002   0.617
  191   1HE   LYS  50          2HE       LYS  50  -7.626  12.584  -1.440
  192   2HE   LYS  50          3HE       LYS  50  -8.508  13.486  -0.197
  193   1HZ   LYS  50          1HZ       LYS  50  -6.570  15.077  -0.313
  194   2HZ   LYS  50          2HZ       LYS  50  -6.042  14.169  -1.608
  195   3HZ   LYS  50          3HZ       LYS  50  -7.457  14.969  -1.710
  196    H    ALA  51           H        ALA  51  -3.241   7.315   0.924
  197    HA   ALA  51           HA       ALA  51  -2.856   7.064   3.772
  198   1HB   ALA  51          1HB       ALA  51  -1.154   6.021   1.470
  199   2HB   ALA  51          2HB       ALA  51  -1.053   5.512   3.176
  200   3HB   ALA  51          3HB       ALA  51  -2.519   5.189   2.246
  201    H    GLY  52           H        GLY  52  -0.746   8.341   1.145
  202   1HA   GLY  52          1HA       GLY  52   1.403   9.280   2.658
  203   2HA   GLY  52          2HA       GLY  52   0.875   9.898   1.091
  204    H    ALA  53           H        ALA  53  -1.810  10.623   2.380
  205    HA   ALA  53           HA       ALA  53  -1.164  13.380   2.908
  206   1HB   ALA  53          1HB       ALA  53  -3.735  11.898   3.578
  207   2HB   ALA  53          2HB       ALA  53  -3.530  13.637   3.334
  208   3HB   ALA  53          3HB       ALA  53  -3.356  12.527   1.957
  209    H    ASN  54           H        ASN  54  -1.742  10.514   4.921
  210    HA   ASN  54           HA       ASN  54  -1.616  12.189   7.417
  211   1HB   ASN  54          2HB       ASN  54  -2.680   9.364   6.998
  212   2HB   ASN  54          3HB       ASN  54  -2.624  10.256   8.522
  213   1HD2  ASN  54          1HD2      ASN  54  -4.586   9.532   5.825
  214   2HD2  ASN  54          2HD2      ASN  54  -5.798  10.761   6.129
  215    H    TYR  55           H        TYR  55  -0.531   9.106   5.954
  216    HA   TYR  55           HA       TYR  55   1.410   8.692   8.132
  217   1HB   TYR  55          2HB       TYR  55   0.700   6.921   5.797
  218   2HB   TYR  55          3HB       TYR  55   1.456   6.416   7.309
  219    HD1  TYR  55           HD1      TYR  55  -1.170   5.555   5.642
  220    HD2  TYR  55           HD2      TYR  55  -0.435   7.716   9.302
  221    HE1  TYR  55           HE1      TYR  55  -3.489   5.116   6.370
  222    HE2  TYR  55           HE2      TYR  55  -2.744   7.237  10.043
  223    HH   TYR  55           HH       TYR  55  -4.765   6.229   9.511
  224    H    SER  56           H        SER  56   3.662   8.615   7.692
  225    HA   SER  56           HA       SER  56   4.538   9.775   5.111
  226   1HB   SER  56          2HB       SER  56   5.457  10.130   7.608
  227   2HB   SER  56          3HB       SER  56   6.532   8.808   7.135
  228    HG   SER  56           HG       SER  56   7.056  10.207   5.239
  229    H    GLU  57           H        GLU  57   6.486   8.697   3.974
  230    HA   GLU  57           HA       GLU  57   5.887   6.161   2.964
  231   1HB   GLU  57          2HB       GLU  57   8.227   6.063   2.222
  232   2HB   GLU  57          3HB       GLU  57   7.303   7.446   1.660
  233   1HG   GLU  57          2HG       GLU  57   9.121   7.730   4.041
  234   2HG   GLU  57          3HG       GLU  57   9.713   7.752   2.396
  235    H    GLU  58           H        GLU  58   8.153   7.008   5.608
  236    HA   GLU  58           HA       GLU  58   9.033   4.436   6.220
  237   1HB   GLU  58          2HB       GLU  58   8.772   7.026   7.740
  238   2HB   GLU  58          3HB       GLU  58   9.091   5.555   8.665
  239   1HG   GLU  58          2HG       GLU  58  11.185   6.675   8.060
  240   2HG   GLU  58          3HG       GLU  58  11.082   5.067   7.333
  241    H    GLU  59           H        GLU  59   5.855   5.859   6.980
  242    HA   GLU  59           HA       GLU  59   5.277   3.794   9.005
  243   1HB   GLU  59          2HB       GLU  59   3.566   6.028   7.844
  244   2HB   GLU  59          3HB       GLU  59   3.192   5.029   9.261
  245   1HG   GLU  59          2HG       GLU  59   5.265   5.947  10.372
  246   2HG   GLU  59          3HG       GLU  59   5.502   7.014   8.973
  247    H    ILE  60           H        ILE  60   4.198   4.859   5.748
  248    HA   ILE  60           HA       ILE  60   2.233   2.812   5.451
  249    HB   ILE  60           HB       ILE  60   3.745   4.318   3.307
  250   1HG1  ILE  60          2HG1      ILE  60   0.999   4.710   4.572
  251   2HG1  ILE  60          3HG1      ILE  60   2.424   5.645   4.977
  252   1HG2  ILE  60          1HG2      ILE  60   1.159   3.486   2.394
  253   2HG2  ILE  60          2HG2      ILE  60   2.729   2.915   1.849
  254   3HG2  ILE  60          3HG2      ILE  60   1.855   2.062   3.127
  255   1HD1  ILE  60          1HD1      ILE  60   2.629   6.405   2.607
  256   2HD1  ILE  60          2HD1      ILE  60   1.076   5.600   2.266
  257   3HD1  ILE  60          3HD1      ILE  60   1.147   6.932   3.427
  258    H    LEU  61           H        LEU  61   5.716   3.001   4.661
  259    HA   LEU  61           HA       LEU  61   5.991   0.511   3.393
  260   1HB   LEU  61          2HB       LEU  61   7.764   2.259   3.457
  261   2HB   LEU  61          3HB       LEU  61   7.970   1.989   5.191
  262    HG   LEU  61           HG       LEU  61   8.741  -0.303   4.772
  263   1HD1  LEU  61          1HD1      LEU  61   7.500  -1.015   2.837
  264   2HD1  LEU  61          2HD1      LEU  61   8.072   0.368   1.893
  265   3HD1  LEU  61          3HD1      LEU  61   9.187  -0.954   2.317
  266   1HD2  LEU  61          1HD2      LEU  61  10.120   1.748   2.995
  267   2HD2  LEU  61          2HD2      LEU  61  10.391   1.505   4.734
  268   3HD2  LEU  61          3HD2      LEU  61  10.838   0.232   3.585
  269    H    ASP  62           H        ASP  62   6.247   1.393   6.881
  270    HA   ASP  62           HA       ASP  62   6.766  -1.159   7.873
  271   1HB   ASP  62          2HB       ASP  62   6.684   1.074   9.126
  272   2HB   ASP  62          3HB       ASP  62   4.935   0.825   9.273
  273    H    ILE  63           H        ILE  63   3.525   0.363   7.278
  274    HA   ILE  63           HA       ILE  63   2.038  -1.966   8.002
  275    HB   ILE  63           HB       ILE  63   1.323   0.265   6.072
  276   1HG1  ILE  63          2HG1      ILE  63   0.466  -0.100   8.950
  277   2HG1  ILE  63          3HG1      ILE  63   1.854   0.880   8.464
  278   1HG2  ILE  63          1HG2      ILE  63  -1.025  -0.429   6.410
  279   2HG2  ILE  63          2HG2      ILE  63  -0.096  -1.697   5.627
  280   3HG2  ILE  63          3HG2      ILE  63  -0.474  -1.816   7.360
  281   1HD1  ILE  63          1HD1      ILE  63   0.432   2.326   7.083
  282   2HD1  ILE  63          2HD1      ILE  63  -1.002   1.422   7.625
  283   3HD1  ILE  63          3HD1      ILE  63  -0.031   2.327   8.792
  284    H    ILE  64           H        ILE  64   3.252  -1.005   4.734
  285    HA   ILE  64           HA       ILE  64   2.167  -3.247   3.367
  286    HB   ILE  64           HB       ILE  64   4.684  -1.642   2.811
  287   1HG1  ILE  64          2HG1      ILE  64   2.047  -1.495   1.323
  288   2HG1  ILE  64          3HG1      ILE  64   2.241  -0.575   2.808
  289   1HG2  ILE  64          1HG2      ILE  64   3.190  -3.688   1.120
  290   2HG2  ILE  64          2HG2      ILE  64   4.351  -2.534   0.439
  291   3HG2  ILE  64          3HG2      ILE  64   4.892  -3.744   1.604
  292   1HD1  ILE  64          1HD1      ILE  64   4.105  -0.309   0.416
  293   2HD1  ILE  64          2HD1      ILE  64   2.808   0.809   0.869
  294   3HD1  ILE  64          3HD1      ILE  64   4.188   0.587   1.942
  295    H    LEU  65           H        LEU  65   5.242  -2.897   5.139
  296    HA   LEU  65           HA       LEU  65   6.187  -5.546   4.536
  297   1HB   LEU  65          2HB       LEU  65   6.959  -3.470   6.611
  298   2HB   LEU  65          3HB       LEU  65   7.780  -5.017   6.455
  299    HG   LEU  65           HG       LEU  65   7.572  -2.945   4.224
  300   1HD1  LEU  65          1HD1      LEU  65   9.928  -3.634   6.023
  301   2HD1  LEU  65          2HD1      LEU  65   9.909  -2.443   4.705
  302   3HD1  LEU  65          3HD1      LEU  65   8.924  -2.177   6.156
  303   1HD2  LEU  65          1HD2      LEU  65   8.139  -4.686   2.901
  304   2HD2  LEU  65          2HD2      LEU  65   9.734  -4.586   3.657
  305   3HD2  LEU  65          3HD2      LEU  65   8.543  -5.742   4.270
  306    H    ASN  66           H        ASN  66   3.941  -4.341   7.083
  307    HA   ASN  66           HA       ASN  66   4.387  -6.896   8.625
  308   1HB   ASN  66          2HB       ASN  66   4.064  -4.067   9.705
  309   2HB   ASN  66          3HB       ASN  66   4.103  -5.543  10.674
  310   1HD2  ASN  66          1HD2      ASN  66   6.019  -3.018  10.024
  311   2HD2  ASN  66          2HD2      ASN  66   7.587  -3.809   9.988
  312    H    GLY  67           H        GLY  67   2.555  -5.921   6.646
  313   1HA   GLY  67          1HA       GLY  67   0.371  -5.202   6.176
  314   2HA   GLY  67          2HA       GLY  67  -0.004  -6.761   6.774
  315    H    GLN  68           H        GLN  68  -1.872  -6.328   8.119
  316    HA   GLN  68           HA       GLN  68  -1.941  -5.071  10.562
  317   1HB   GLN  68          2HB       GLN  68  -1.420  -2.882   9.724
  318   2HB   GLN  68          3HB       GLN  68  -2.488  -3.056   8.331
  319   1HG   GLN  68          2HG       GLN  68  -4.392  -2.697   9.673
  320   2HG   GLN  68          3HG       GLN  68  -3.550  -3.111  11.176
  321   1HE2  GLN  68          1HE2      GLN  68  -3.458  -0.679   8.502
  322   2HE2  GLN  68          2HE2      GLN  68  -3.102   0.657   9.564
  323    H    GLY  69           H        GLY  69  -4.045  -5.731  11.536
  324   1HA   GLY  69          1HA       GLY  69  -5.827  -7.067  11.536
  325   2HA   GLY  69          2HA       GLY  69  -6.493  -5.716  10.611
  326    H    GLY  70           H        GLY  70  -7.477  -6.320   8.721
  327   1HA   GLY  70          1HA       GLY  70  -7.497  -9.024   7.783
  328   2HA   GLY  70          2HA       GLY  70  -8.185  -7.602   6.989
  329    H    MET  71           H        MET  71  -5.287  -6.413   7.194
  330    HA   MET  71           HA       MET  71  -4.481  -7.198   4.542
  331   1HB   MET  71          1HB       MET  71  -4.435  -4.875   5.534
  332   2HB   MET  71          2HB       MET  71  -3.053  -5.350   6.482
  333   1HG   MET  71          1HG       MET  71  -1.712  -5.854   4.697
  334   2HG   MET  71          2HG       MET  71  -2.988  -5.740   3.500
  335   1HE   MET  71          1HE       MET  71  -0.853  -4.594   2.564
  336   2HE   MET  71          2HE       MET  71  -0.216  -2.985   3.036
  337   3HE   MET  71          3HE       MET  71   0.031  -4.402   4.077
  338    HA   PRO  72           HA       PRO  72  -1.644 -10.203   6.455
  339   1HB   PRO  72          2HB       PRO  72  -0.786 -11.482   4.171
  340   2HB   PRO  72          3HB       PRO  72  -2.289 -11.764   5.080
  341   1HG   PRO  72          2HG       PRO  72  -1.845 -10.191   2.522
  342   2HG   PRO  72          3HG       PRO  72  -3.245 -11.214   2.928
  343   1HD   PRO  72          2HD       PRO  72  -3.150  -8.408   3.167
  344   2HD   PRO  72          3HD       PRO  72  -4.272  -9.442   4.048
  345    H    GLY  73           H        GLY  73   0.178  -9.440   7.168
  346   1HA   GLY  73          1HA       GLY  73   1.800  -7.690   5.906
  347   2HA   GLY  73          2HA       GLY  73   2.400  -8.705   7.262
  348    H    GLY  74           H        GLY  74   3.353  -7.367   4.706
  349   1HA   GLY  74          1HA       GLY  74   5.292  -7.895   3.447
  350   2HA   GLY  74          2HA       GLY  74   5.183  -9.576   3.993
  351    H    ILE  75           H        ILE  75   2.553  -7.820   2.472
  352    HA   ILE  75           HA       ILE  75   1.967  -9.668   0.422
  353    HB   ILE  75           HB       ILE  75   1.246  -6.879   1.234
  354   1HG1  ILE  75          2HG1      ILE  75  -0.571  -8.979   0.082
  355   2HG1  ILE  75          3HG1      ILE  75   0.099  -9.168   1.705
  356   1HG2  ILE  75          1HG2      ILE  75   0.745  -7.947  -1.627
  357   2HG2  ILE  75          2HG2      ILE  75  -0.084  -6.549  -0.947
  358   3HG2  ILE  75          3HG2      ILE  75   1.640  -6.462  -1.244
  359   1HD1  ILE  75          1HD1      ILE  75  -0.992  -7.266   2.542
  360   2HD1  ILE  75          2HD1      ILE  75  -1.125  -6.517   0.963
  361   3HD1  ILE  75          3HD1      ILE  75  -2.172  -7.882   1.354
  362    H    ALA  76           H        ALA  76   3.711  -6.549   0.099
  363    HA   ALA  76           HA       ALA  76   5.281  -7.677  -2.174
  364   1HB   ALA  76          1HB       ALA  76   5.893  -5.344  -2.618
  365   2HB   ALA  76          2HB       ALA  76   4.129  -5.540  -2.633
  366   3HB   ALA  76          3HB       ALA  76   4.929  -4.801  -1.228
  367    H    LYS  77           H        LYS  77   7.594  -7.558  -1.996
  368    HA   LYS  77           HA       LYS  77   8.842  -6.663   0.484
  369   1HB   LYS  77          2HB       LYS  77   8.915  -9.538  -0.546
  370   2HB   LYS  77          3HB       LYS  77  10.267  -8.851   0.363
  371   1HG   LYS  77          2HG       LYS  77   8.745  -8.298   2.239
  372   2HG   LYS  77          3HG       LYS  77   7.414  -9.098   1.364
  373   1HD   LYS  77          2HD       LYS  77   8.930 -11.170   1.230
  374   2HD   LYS  77          3HD       LYS  77  10.008 -10.384   2.384
  375   1HE   LYS  77          2HE       LYS  77   7.042 -11.049   2.796
  376   2HE   LYS  77          3HE       LYS  77   8.393 -11.990   3.440
  377   1HZ   LYS  77          1HZ       LYS  77   7.847  -9.179   4.149
  378   2HZ   LYS  77          2HZ       LYS  77   7.421 -10.477   5.057
  379   3HZ   LYS  77          3HZ       LYS  77   9.010 -10.144   4.803
  380    H    GLY  78           H        GLY  78  11.219  -6.568   0.100
  381   1HA   GLY  78          1HA       GLY  78  13.042  -6.067  -1.235
  382   2HA   GLY  78          2HA       GLY  78  12.156  -6.589  -2.682
  383    H    ALA  79           H        ALA  79  13.185  -4.556  -3.490
  384    HA   ALA  79           HA       ALA  79  12.707  -1.963  -2.537
  385   1HB   ALA  79          1HB       ALA  79  12.897  -2.652  -5.490
  386   2HB   ALA  79          2HB       ALA  79  13.485  -1.210  -4.634
  387   3HB   ALA  79          3HB       ALA  79  14.302  -2.768  -4.406
  388    H    GLU  80           H        GLU  80  10.570  -4.084  -4.503
  389    HA   GLU  80           HA       GLU  80   8.507  -2.499  -5.328
  390   1HB   GLU  80          2HB       GLU  80   8.600  -5.137  -3.883
  391   2HB   GLU  80          3HB       GLU  80   7.094  -4.420  -4.458
  392   1HG   GLU  80          2HG       GLU  80   7.585  -5.761  -6.195
  393   2HG   GLU  80          3HG       GLU  80   8.409  -4.314  -6.766
  394    H    ALA  81           H        ALA  81   8.769  -3.693  -1.928
  395    HA   ALA  81           HA       ALA  81   6.400  -2.289  -1.130
  396   1HB   ALA  81          1HB       ALA  81   8.722  -3.318   0.548
  397   2HB   ALA  81          2HB       ALA  81   7.156  -2.755   1.177
  398   3HB   ALA  81          3HB       ALA  81   7.225  -4.186   0.135
  399    H    GLU  82           H        GLU  82   9.859  -1.461  -0.760
  400    HA   GLU  82           HA       GLU  82   9.678   1.047   0.503
  401   1HB   GLU  82          2HB       GLU  82  11.618  -0.281  -1.391
  402   2HB   GLU  82          3HB       GLU  82  11.841   1.410  -1.017
  403   1HG   GLU  82          2HG       GLU  82  11.900   0.909   1.394
  404   2HG   GLU  82          3HG       GLU  82  11.635  -0.814   1.060
  405    H    ALA  83           H        ALA  83   9.783   0.431  -3.048
  406    HA   ALA  83           HA       ALA  83   9.431   3.150  -3.760
  407   1HB   ALA  83          1HB       ALA  83  10.324   1.369  -5.207
  408   2HB   ALA  83          2HB       ALA  83   8.691   0.648  -5.314
  409   3HB   ALA  83          3HB       ALA  83   9.004   2.266  -5.993
  410    H    VAL  84           H        VAL  84   7.072   0.479  -3.326
  411    HA   VAL  84           HA       VAL  84   4.727   1.824  -4.164
  412    HB   VAL  84           HB       VAL  84   5.179  -0.327  -2.072
  413   1HG1  VAL  84          1HG1      VAL  84   2.705  -0.756  -2.531
  414   2HG1  VAL  84          2HG1      VAL  84   3.089   0.636  -1.487
  415   3HG1  VAL  84          3HG1      VAL  84   2.651   0.906  -3.171
  416   1HG2  VAL  84          1HG2      VAL  84   4.795  -1.881  -3.705
  417   2HG2  VAL  84          2HG2      VAL  84   3.829  -0.792  -4.719
  418   3HG2  VAL  84          3HG2      VAL  84   5.579  -0.667  -4.727
  419    H    ALA  85           H        ALA  85   6.083   1.529  -0.863
  420    HA   ALA  85           HA       ALA  85   4.386   3.307   0.459
  421   1HB   ALA  85          1HB       ALA  85   6.186   3.580   2.095
  422   2HB   ALA  85          2HB       ALA  85   6.028   1.883   1.591
  423   3HB   ALA  85          3HB       ALA  85   7.358   2.872   0.971
  424    H    ALA  86           H        ALA  86   7.531   4.128  -1.092
  425    HA   ALA  86           HA       ALA  86   7.443   6.907  -0.527
  426   1HB   ALA  86          1HB       ALA  86   9.092   7.119  -2.343
  427   2HB   ALA  86          2HB       ALA  86   9.453   5.742  -1.282
  428   3HB   ALA  86          3HB       ALA  86   8.726   5.465  -2.879
  429    H    TRP  87           H        TRP  87   6.250   5.121  -3.357
  430    HA   TRP  87           HA       TRP  87   5.293   7.326  -4.874
  431   1HB   TRP  87          2HB       TRP  87   5.749   5.115  -5.759
  432   2HB   TRP  87          3HB       TRP  87   4.517   4.403  -4.716
  433    HD1  TRP  87           HD1      TRP  87   4.662   6.952  -7.605
  434    HE1  TRP  87           HE1      TRP  87   2.611   6.619  -9.103
  435    HE3  TRP  87           HE3      TRP  87   2.342   3.230  -4.958
  436    HZ2  TRP  87           HZ2      TRP  87   0.130   5.094  -9.015
  437    HZ3  TRP  87           HZ3      TRP  87   0.009   2.636  -5.510
  438    HH2  TRP  87           HH2      TRP  87  -1.072   3.467  -7.538
  439    H    LEU  88           H        LEU  88   3.741   5.234  -2.432
  440    HA   LEU  88           HA       LEU  88   1.169   6.512  -2.485
  441   1HB   LEU  88          2HB       LEU  88   2.615   4.683  -0.565
  442   2HB   LEU  88          3HB       LEU  88   1.185   5.529  -0.027
  443    HG   LEU  88           HG       LEU  88   1.211   3.079  -1.279
  444   1HD1  LEU  88          1HD1      LEU  88  -1.289   3.460  -1.496
  445   2HD1  LEU  88          2HD1      LEU  88  -0.658   3.875   0.121
  446   3HD1  LEU  88          3HD1      LEU  88  -1.031   5.155  -1.065
  447   1HD2  LEU  88          1HD2      LEU  88   1.615   4.295  -3.392
  448   2HD2  LEU  88          2HD2      LEU  88   0.271   3.127  -3.341
  449   3HD2  LEU  88          3HD2      LEU  88  -0.063   4.875  -3.330
  450    H    ALA  89           H        ALA  89   4.128   7.193  -0.610
  451    HA   ALA  89           HA       ALA  89   3.114   9.212   1.056
  452   1HB   ALA  89          1HB       ALA  89   5.456   8.205   0.938
  453   2HB   ALA  89          2HB       ALA  89   5.825   9.464  -0.264
  454   3HB   ALA  89          3HB       ALA  89   5.316   9.919   1.365
  455    H    GLU  90           H        GLU  90   4.292   9.368  -2.318
  456    HA   GLU  90           HA       GLU  90   3.239  12.112  -2.614
  457   1HB   GLU  90          2HB       GLU  90   5.517  11.157  -3.477
  458   2HB   GLU  90          3HB       GLU  90   4.559  10.566  -4.842
  459   1HG   GLU  90          2HG       GLU  90   3.857  12.872  -5.348
  460   2HG   GLU  90          3HG       GLU  90   4.598  13.465  -3.849
  461    H    LYS  91           H        LYS  91   1.264  10.006  -2.088
  462    HA   LYS  91           HA       LYS  91  -0.458  10.741  -4.400
  463   1HB   LYS  91          2HB       LYS  91  -0.295   8.075  -2.966
  464   2HB   LYS  91          3HB       LYS  91  -1.784   8.628  -3.689
  465   1HG   LYS  91          2HG       LYS  91   0.346   9.025  -5.620
  466   2HG   LYS  91          3HG       LYS  91   0.482   7.391  -4.994
  467   1HD   LYS  91          2HD       LYS  91  -1.677   6.760  -5.669
  468   2HD   LYS  91          3HD       LYS  91  -2.271   8.412  -5.808
  469   1HE   LYS  91          2HE       LYS  91  -0.206   7.199  -7.695
  470   2HE   LYS  91          3HE       LYS  91  -1.950   7.263  -7.989
  471   1HZ   LYS  91          1HZ       LYS  91  -0.027   9.453  -7.931
  472   2HZ   LYS  91          2HZ       LYS  91  -1.207   9.118  -9.029
  473   3HZ   LYS  91          3HZ       LYS  91  -1.602   9.760  -7.567
  474    H    LYS  92           H        LYS  92  -2.396  11.636  -3.854
  475    HA   LYS  92           HA       LYS  92  -3.539  11.542  -1.302
  476   1HB   LYS  92          2HB       LYS  92  -2.552  14.250  -2.319
  477   2HB   LYS  92          3HB       LYS  92  -3.645  13.966  -0.953
  478   1HG   LYS  92          2HG       LYS  92  -1.718  12.713   0.175
  479   2HG   LYS  92          3HG       LYS  92  -0.688  13.356  -1.113
  480   1HD   LYS  92          2HD       LYS  92  -2.121  15.620  -0.375
  481   2HD   LYS  92          3HD       LYS  92  -2.038  14.761   1.169
  482   1HE   LYS  92          2HE       LYS  92   0.472  14.647   0.893
  483   2HE   LYS  92          3HE       LYS  92   0.312  15.519  -0.644
  484   1HZ   LYS  92          1HZ       LYS  92  -0.467  16.580   1.990
  485   2HZ   LYS  92          2HZ       LYS  92   0.881  16.991   1.143
  486   3HZ   LYS  92          3HZ       LYS  92  -0.603  17.377   0.553
  487    HHA  HEC  93           HHA      HEC  93  -5.064  -0.469   6.418
  488    HHB  HEC  93           HHB      HEC  93  -0.640   0.730   1.906
  489    HHC  HEC  93           HHC      HEC  93  -1.928  -5.039  -0.712
  490    HHD  HEC  93           HHD      HEC  93  -6.956  -5.692   3.184
  491   1HMA  HEC  93          1HMA      HEC  93  -0.259   2.068   4.723
  492   2HMA  HEC  93          2HMA      HEC  93  -0.865   2.583   3.133
  493   3HMA  HEC  93          3HMA      HEC  93  -1.623   3.195   4.577
  494   1HAA  HEC  93          1HAA      HEC  93  -2.802   2.624   6.330
  495   2HAA  HEC  93          2HAA      HEC  93  -3.292   1.191   7.182
  496   1HBA  HEC  93          1HBA      HEC  93  -5.376   1.976   5.269
  497   2HBA  HEC  93          2HBA      HEC  93  -4.912   3.367   6.233
  498   1HMB  HEC  93          1HMB      HEC  93   0.664   0.504   0.209
  499   2HMB  HEC  93          2HMB      HEC  93   1.211  -0.661  -0.977
  500   3HMB  HEC  93          3HMB      HEC  93  -0.235   0.303  -1.299
  501    HAB  HEC  93           HAB      HEC  93  -0.389  -4.198  -1.821
  502   1HBB  HEC  93          1HBB      HEC  93   1.589  -4.227  -0.446
  503   2HBB  HEC  93          2HBB      HEC  93   1.967  -4.001  -2.165
  504   3HBB  HEC  93          3HBB      HEC  93   2.080  -2.636  -1.044
  505   1HMC  HEC  93          1HMC      HEC  93  -2.703  -7.071  -0.996
  506   2HMC  HEC  93          2HMC      HEC  93  -4.150  -8.032  -0.749
  507   3HMC  HEC  93          3HMC      HEC  93  -4.233  -6.560  -1.738
  508    HAC  HEC  93           HAC      HEC  93  -7.207  -7.065   1.606
  509   1HBC  HEC  93          1HBC      HEC  93  -5.473  -8.721   2.351
  510   2HBC  HEC  93          2HBC      HEC  93  -6.867  -9.363   1.479
  511   3HBC  HEC  93          3HBC      HEC  93  -5.311  -9.218   0.654
  512   1HMD  HEC  93          1HMD      HEC  93  -7.807  -5.436   6.126
  513   2HMD  HEC  93          2HMD      HEC  93  -8.950  -4.103   5.916
  514   3HMD  HEC  93          3HMD      HEC  93  -8.585  -5.154   4.557
  515   1HAD  HEC  93          1HAD      HEC  93  -8.299  -2.204   6.989
  516   2HAD  HEC  93          2HAD      HEC  93  -6.917  -1.206   7.355
  517   1HBD  HEC  93          1HBD      HEC  93  -6.440  -2.502   9.088
  518   2HBD  HEC  93          2HBD      HEC  93  -6.177  -3.890   8.016
  Start of MODEL   16
    1   1H    VAL  22          H1        VAL  22  11.411   0.990  -8.903
    2   2H    VAL  22          H2        VAL  22  11.311   0.102  -7.542
    3   3H    VAL  22          H3        VAL  22  12.430  -0.314  -8.703
    4    HA   VAL  22           HA       VAL  22  10.814  -1.074 -10.158
    5    HB   VAL  22           HB       VAL  22  10.017  -1.729  -7.280
    6   1HG1  VAL  22          1HG1      VAL  22   8.977  -2.964  -9.863
    7   2HG1  VAL  22          2HG1      VAL  22   8.855  -3.733  -8.270
    8   3HG1  VAL  22          3HG1      VAL  22   8.054  -2.186  -8.557
    9   1HG2  VAL  22          1HG2      VAL  22  11.530  -3.357  -9.370
   10   2HG2  VAL  22          2HG2      VAL  22  12.282  -2.510  -7.999
   11   3HG2  VAL  22          3HG2      VAL  22  11.169  -3.852  -7.704
   12    H    ASP  23           H        ASP  23   8.602  -0.892 -11.014
   13    HA   ASP  23           HA       ASP  23   7.595   1.758 -10.650
   14   1HB   ASP  23          2HB       ASP  23   6.684  -0.656 -12.244
   15   2HB   ASP  23          3HB       ASP  23   5.772   0.863 -12.199
   16    H    ALA  24           H        ALA  24   6.931   2.078  -8.611
   17    HA   ALA  24           HA       ALA  24   5.436   0.716  -6.826
   18   1HB   ALA  24          1HB       ALA  24   6.196   2.993  -6.450
   19   2HB   ALA  24          2HB       ALA  24   5.101   3.620  -7.701
   20   3HB   ALA  24          3HB       ALA  24   4.433   2.920  -6.220
   21    H    GLU  25           H        GLU  25   3.970   2.622  -9.532
   22    HA   GLU  25           HA       GLU  25   1.318   1.968  -8.961
   23   1HB   GLU  25          2HB       GLU  25   2.305   2.350 -11.797
   24   2HB   GLU  25          3HB       GLU  25   0.749   2.734 -11.079
   25   1HG   GLU  25          2HG       GLU  25   2.551   4.259  -9.552
   26   2HG   GLU  25          3HG       GLU  25   3.299   4.285 -11.143
   27    H    ALA  26           H        ALA  26   3.728   0.176 -10.926
   28    HA   ALA  26           HA       ALA  26   1.919  -1.778 -11.990
   29   1HB   ALA  26          1HB       ALA  26   4.898  -2.136 -11.487
   30   2HB   ALA  26          2HB       ALA  26   3.877  -2.973 -12.661
   31   3HB   ALA  26          3HB       ALA  26   4.231  -1.246 -12.876
   32    H    VAL  27           H        VAL  27   4.036  -1.648  -9.116
   33    HA   VAL  27           HA       VAL  27   3.481  -4.294  -8.152
   34    HB   VAL  27           HB       VAL  27   4.157  -1.716  -6.645
   35   1HG1  VAL  27          1HG1      VAL  27   4.239  -4.599  -5.733
   36   2HG1  VAL  27          2HG1      VAL  27   4.892  -3.233  -4.808
   37   3HG1  VAL  27          3HG1      VAL  27   3.153  -3.366  -5.082
   38   1HG2  VAL  27          1HG2      VAL  27   5.864  -3.997  -7.681
   39   2HG2  VAL  27          2HG2      VAL  27   5.858  -2.334  -8.263
   40   3HG2  VAL  27          3HG2      VAL  27   6.443  -2.662  -6.633
   41    H    VAL  28           H        VAL  28   2.030  -1.145  -7.214
   42    HA   VAL  28           HA       VAL  28   0.094  -2.224  -5.506
   43    HB   VAL  28           HB       VAL  28   0.255   0.313  -7.158
   44   1HG1  VAL  28          1HG1      VAL  28  -1.694   0.088  -4.862
   45   2HG1  VAL  28          2HG1      VAL  28  -1.540   1.343  -6.074
   46   3HG1  VAL  28          3HG1      VAL  28  -2.175  -0.209  -6.545
   47   1HG2  VAL  28          1HG2      VAL  28   1.485  -0.629  -4.730
   48   2HG2  VAL  28          2HG2      VAL  28   1.659   0.941  -5.501
   49   3HG2  VAL  28          3HG2      VAL  28   0.400   0.683  -4.279
   50    H    GLN  29           H        GLN  29  -0.143  -1.525  -8.943
   51    HA   GLN  29           HA       GLN  29  -2.713  -2.324  -9.550
   52   1HB   GLN  29          2HB       GLN  29  -0.149  -2.438 -11.080
   53   2HB   GLN  29          3HB       GLN  29  -1.640  -3.072 -11.762
   54   1HG   GLN  29          2HG       GLN  29  -1.521  -0.244 -10.610
   55   2HG   GLN  29          3HG       GLN  29  -0.995  -0.604 -12.255
   56   1HE2  GLN  29          1HE2      GLN  29  -3.799  -0.230 -10.142
   57   2HE2  GLN  29          2HE2      GLN  29  -4.975  -0.421 -11.423
   58    H    GLN  30           H        GLN  30  -0.041  -4.452  -8.560
   59    HA   GLN  30           HA       GLN  30  -1.988  -6.661  -8.580
   60   1HB   GLN  30          2HB       GLN  30   0.733  -6.771  -9.955
   61   2HB   GLN  30          3HB       GLN  30  -0.184  -8.218  -9.459
   62   1HG   GLN  30          2HG       GLN  30  -2.169  -7.336 -10.706
   63   2HG   GLN  30          3HG       GLN  30  -1.096  -6.124 -11.432
   64   1HE2  GLN  30          1HE2      GLN  30   0.704  -6.927 -12.791
   65   2HE2  GLN  30          2HE2      GLN  30   0.574  -8.517 -13.532
   66    H    LYS  31           H        LYS  31  -1.546  -5.386  -6.414
   67    HA   LYS  31           HA       LYS  31  -0.764  -7.502  -4.695
   68   1HB   LYS  31          2HB       LYS  31   1.252  -5.320  -5.067
   69   2HB   LYS  31          3HB       LYS  31   0.973  -5.877  -3.435
   70   1HG   LYS  31          2HG       LYS  31   2.259  -7.684  -3.672
   71   2HG   LYS  31          3HG       LYS  31   1.325  -8.237  -5.048
   72   1HD   LYS  31          2HD       LYS  31   2.697  -6.314  -6.314
   73   2HD   LYS  31          3HD       LYS  31   3.833  -6.554  -4.971
   74   1HE   LYS  31          2HE       LYS  31   2.869  -8.897  -6.676
   75   2HE   LYS  31          3HE       LYS  31   4.061  -7.756  -7.297
   76   1HZ   LYS  31          1HZ       LYS  31   5.311  -9.379  -6.377
   77   2HZ   LYS  31          2HZ       LYS  31   5.402  -8.192  -5.303
   78   3HZ   LYS  31          3HZ       LYS  31   4.445  -9.480  -4.958
   79    H    CYS  32           H        CYS  32  -1.470  -3.975  -5.027
   80    HA   CYS  32           HA       CYS  32  -2.739  -4.093  -2.334
   81   1HB   CYS  32          2HB       CYS  32  -2.382  -1.625  -3.933
   82   2HB   CYS  32          3HB       CYS  32  -2.535  -1.792  -2.191
   83    H    ILE  33           H        ILE  33  -3.394  -3.039  -5.663
   84    HA   ILE  33           HA       ILE  33  -6.010  -2.206  -5.162
   85    HB   ILE  33           HB       ILE  33  -6.411  -2.365  -7.517
   86   1HG1  ILE  33          2HG1      ILE  33  -4.469  -3.144  -8.983
   87   2HG1  ILE  33          3HG1      ILE  33  -4.085  -4.248  -7.641
   88   1HG2  ILE  33          1HG2      ILE  33  -4.481  -0.845  -6.276
   89   2HG2  ILE  33          2HG2      ILE  33  -3.589  -1.505  -7.646
   90   3HG2  ILE  33          3HG2      ILE  33  -5.056  -0.574  -7.923
   91   1HD1  ILE  33          1HD1      ILE  33  -6.586  -3.963  -9.371
   92   2HD1  ILE  33          2HD1      ILE  33  -5.407  -5.282  -9.400
   93   3HD1  ILE  33          3HD1      ILE  33  -6.504  -5.117  -8.023
   94    H    SER  34           H        SER  34  -4.811  -5.480  -5.611
   95    HA   SER  34           HA       SER  34  -6.907  -7.071  -6.085
   96   1HB   SER  34          2HB       SER  34  -5.027  -7.390  -3.713
   97   2HB   SER  34          3HB       SER  34  -5.765  -8.668  -4.700
   98    HG   SER  34           HG       SER  34  -3.719  -8.348  -5.523
   99    H    CYS  35           H        CYS  35  -6.461  -5.116  -3.137
  100    HA   CYS  35           HA       CYS  35  -9.236  -5.861  -2.273
  101   1HB   CYS  35          2HB       CYS  35  -6.997  -4.950  -0.470
  102   2HB   CYS  35          3HB       CYS  35  -8.572  -5.624  -0.008
  103    H    HIS  36           HN       HIS  36  -6.696  -3.315  -2.326
  104    HA   HIS  36           HA       HIS  36  -8.436  -1.236  -1.364
  105   1HB   HIS  36          2HB       HIS  36  -5.679  -1.290  -2.655
  106   2HB   HIS  36          3HB       HIS  36  -6.475   0.189  -2.143
  107    HD1  HIS  36           HD1      HIS  36  -7.094   0.373   0.524
  108    HD2  HIS  36           HD2      HIS  36  -4.452  -2.668  -0.657
  109    HE1  HIS  36           1HE      HIS  36  -5.911  -0.379   2.628
  110    H    GLY  37           H        GLY  37  -8.307  -2.709  -4.443
  111   1HA   GLY  37          1HA       GLY  37  -9.807  -2.330  -6.131
  112   2HA   GLY  37          2HA       GLY  37 -10.153  -0.691  -5.542
  113    H    GLY  38           H        GLY  38  -9.387  -1.649  -8.269
  114   1HA   GLY  38          1HA       GLY  38  -6.859  -1.085  -9.236
  115   2HA   GLY  38          2HA       GLY  38  -8.354  -0.623 -10.033
  116    H    ASP  39           H        ASP  39  -9.285   1.171  -8.021
  117    HA   ASP  39           HA       ASP  39  -7.793   3.528  -8.924
  118   1HB   ASP  39          2HB       ASP  39 -10.498   2.836  -8.881
  119   2HB   ASP  39          3HB       ASP  39 -10.336   3.894  -7.480
  120    H    LEU  40           H        LEU  40  -7.819   1.577  -5.985
  121    HA   LEU  40           HA       LEU  40  -6.848   1.915  -4.071
  122   1HB   LEU  40          2HB       LEU  40  -6.001   4.726  -4.756
  123   2HB   LEU  40          3HB       LEU  40  -5.213   3.567  -3.700
  124    HG   LEU  40           HG       LEU  40  -5.357   3.302  -6.753
  125   1HD1  LEU  40          1HD1      LEU  40  -3.022   4.158  -5.032
  126   2HD1  LEU  40          2HD1      LEU  40  -3.092   3.971  -6.803
  127   3HD1  LEU  40          3HD1      LEU  40  -4.037   5.239  -6.019
  128   1HD2  LEU  40          1HD2      LEU  40  -3.689   1.752  -4.742
  129   2HD2  LEU  40          2HD2      LEU  40  -5.187   1.147  -5.479
  130   3HD2  LEU  40          3HD2      LEU  40  -3.803   1.523  -6.512
  131    H    THR  41           H        THR  41  -9.578   3.049  -4.897
  132    HA   THR  41           HA       THR  41 -10.149   5.222  -3.025
  133    HB   THR  41           HB       THR  41 -12.439   4.869  -4.196
  134    HG1  THR  41           1HG      THR  41 -12.143   3.696  -6.199
  135   1HG2  THR  41          1HG2      THR  41 -11.675   5.968  -6.303
  136   2HG2  THR  41          2HG2      THR  41 -10.955   6.705  -4.861
  137   3HG2  THR  41          3HG2      THR  41  -9.996   5.617  -5.874
  138    H    GLY  42           H        GLY  42  -9.817   1.863  -2.826
  139   1HA   GLY  42          1HA       GLY  42 -10.260   0.605  -0.980
  140   2HA   GLY  42          2HA       GLY  42 -11.526   1.710  -0.421
  141    H    ALA  43           H        ALA  43 -11.312  -1.257  -1.241
  142    HA   ALA  43           HA       ALA  43 -13.927  -1.390  -2.679
  143   1HB   ALA  43          1HB       ALA  43 -11.337  -2.275  -3.767
  144   2HB   ALA  43          2HB       ALA  43 -12.517  -3.591  -3.696
  145   3HB   ALA  43          3HB       ALA  43 -12.911  -2.097  -4.556
  146    H    SER  44           H        SER  44 -11.542  -3.797  -1.603
  147    HA   SER  44           HA       SER  44 -13.564  -4.967   0.253
  148   1HB   SER  44          2HB       SER  44 -12.386  -6.425  -1.466
  149   2HB   SER  44          3HB       SER  44 -10.886  -6.136  -0.560
  150    HG   SER  44           HG       SER  44 -12.120  -6.869   1.320
  151    H    ALA  45           H        ALA  45 -11.446  -2.490   0.451
  152    HA   ALA  45           HA       ALA  45 -10.639  -2.919   3.197
  153   1HB   ALA  45          1HB       ALA  45  -8.317  -3.089   2.784
  154   2HB   ALA  45          2HB       ALA  45  -8.987  -4.164   1.591
  155   3HB   ALA  45          3HB       ALA  45  -8.450  -2.541   1.102
  156    HA   PRO  46           HA       PRO  46 -11.006   1.424   3.091
  157   1HB   PRO  46          2HB       PRO  46  -8.965   2.501   4.616
  158   2HB   PRO  46          3HB       PRO  46 -10.316   1.543   5.287
  159   1HG   PRO  46          2HG       PRO  46  -7.513   0.649   4.668
  160   2HG   PRO  46          3HG       PRO  46  -8.526   0.243   6.081
  161   1HD   PRO  46          2HD       PRO  46  -8.147  -1.337   3.870
  162   2HD   PRO  46          3HD       PRO  46  -9.626  -1.459   4.873
  163    H    ALA  47           H        ALA  47 -10.282   3.491   2.161
  164    HA   ALA  47           HA       ALA  47  -8.740   3.066  -0.246
  165   1HB   ALA  47          1HB       ALA  47  -9.725   5.686   0.947
  166   2HB   ALA  47          2HB       ALA  47  -9.359   5.323  -0.753
  167   3HB   ALA  47          3HB       ALA  47 -10.751   4.556   0.053
  168    H    ILE  48           H        ILE  48  -6.583   3.278  -0.493
  169    HA   ILE  48           HA       ILE  48  -5.000   4.743   1.592
  170    HB   ILE  48           HB       ILE  48  -3.083   3.422   0.841
  171   1HG1  ILE  48          2HG1      ILE  48  -5.069   1.811  -0.821
  172   2HG1  ILE  48          3HG1      ILE  48  -3.854   2.932  -1.454
  173   1HG2  ILE  48          1HG2      ILE  48  -3.910   1.291   1.902
  174   2HG2  ILE  48          2HG2      ILE  48  -4.224   2.771   2.811
  175   3HG2  ILE  48          3HG2      ILE  48  -5.535   1.990   1.915
  176   1HD1  ILE  48          1HD1      ILE  48  -3.378   0.297  -0.052
  177   2HD1  ILE  48          2HD1      ILE  48  -2.850   0.820  -1.656
  178   3HD1  ILE  48          3HD1      ILE  48  -2.102   1.515  -0.204
  179    H    ASP  49           H        ASP  49  -6.290   5.258  -1.444
  180    HA   ASP  49           HA       ASP  49  -4.455   6.509  -3.016
  181   1HB   ASP  49          2HB       ASP  49  -6.868   6.444  -3.467
  182   2HB   ASP  49          3HB       ASP  49  -7.177   7.526  -2.104
  183    H    LYS  50           H        LYS  50  -5.603   7.688   0.151
  184    HA   LYS  50           HA       LYS  50  -3.739  10.012   0.035
  185   1HB   LYS  50          2HB       LYS  50  -6.514   9.720   1.228
  186   2HB   LYS  50          3HB       LYS  50  -5.467  11.114   1.530
  187   1HG   LYS  50          2HG       LYS  50  -5.688  11.985  -0.567
  188   2HG   LYS  50          3HG       LYS  50  -5.782  10.441  -1.371
  189   1HD   LYS  50          2HD       LYS  50  -7.898  10.882  -1.729
  190   2HD   LYS  50          3HD       LYS  50  -8.179  10.373  -0.061
  191   1HE   LYS  50          2HE       LYS  50  -7.764  12.853   0.591
  192   2HE   LYS  50          3HE       LYS  50  -7.738  13.202  -1.149
  193   1HZ   LYS  50          1HZ       LYS  50  -9.997  12.056   0.353
  194   2HZ   LYS  50          2HZ       LYS  50  -9.901  13.588  -0.243
  195   3HZ   LYS  50          3HZ       LYS  50  -9.976  12.306  -1.276
  196    H    ALA  51           H        ALA  51  -3.143   7.266   0.848
  197    HA   ALA  51           HA       ALA  51  -2.972   7.179   3.722
  198   1HB   ALA  51          1HB       ALA  51  -2.662   5.172   2.417
  199   2HB   ALA  51          2HB       ALA  51  -1.270   5.875   1.560
  200   3HB   ALA  51          3HB       ALA  51  -1.173   5.524   3.305
  201    H    GLY  52           H        GLY  52  -0.644   8.238   1.133
  202   1HA   GLY  52          1HA       GLY  52   1.471   9.071   2.731
  203   2HA   GLY  52          2HA       GLY  52   1.034   9.736   1.154
  204    H    ALA  53           H        ALA  53  -1.620  10.631   2.231
  205    HA   ALA  53           HA       ALA  53  -0.888  13.338   2.832
  206   1HB   ALA  53          1HB       ALA  53  -3.102  12.517   1.845
  207   2HB   ALA  53          2HB       ALA  53  -3.523  11.951   3.470
  208   3HB   ALA  53          3HB       ALA  53  -3.247  13.676   3.185
  209    H    ASN  54           H        ASN  54  -1.578  10.479   4.805
  210    HA   ASN  54           HA       ASN  54  -1.380  12.092   7.326
  211   1HB   ASN  54          2HB       ASN  54  -2.697   9.380   6.884
  212   2HB   ASN  54          3HB       ASN  54  -2.631  10.315   8.383
  213   1HD2  ASN  54          1HD2      ASN  54  -4.178  10.063   5.167
  214   2HD2  ASN  54          2HD2      ASN  54  -5.411  11.250   5.538
  215    H    TYR  55           H        TYR  55  -0.621   8.864   5.962
  216    HA   TYR  55           HA       TYR  55   1.409   8.342   8.012
  217   1HB   TYR  55          2HB       TYR  55   0.338   6.806   5.608
  218   2HB   TYR  55          3HB       TYR  55   1.655   6.217   6.603
  219    HD1  TYR  55           HD1      TYR  55  -1.701   5.687   6.101
  220    HD2  TYR  55           HD2      TYR  55   1.105   6.426   9.305
  221    HE1  TYR  55           HE1      TYR  55  -3.211   4.572   7.698
  222    HE2  TYR  55           HE2      TYR  55  -0.386   5.246  10.876
  223    HH   TYR  55           HH       TYR  55  -3.542   3.900   9.861
  224    H    SER  56           H        SER  56   3.594   7.992   7.538
  225    HA   SER  56           HA       SER  56   4.710   9.588   5.285
  226   1HB   SER  56          2HB       SER  56   6.031   8.465   7.793
  227   2HB   SER  56          3HB       SER  56   6.772   9.564   6.611
  228    HG   SER  56           HG       SER  56   4.386  10.183   8.033
  229    H    GLU  57           H        GLU  57   6.962   8.555   4.495
  230    HA   GLU  57           HA       GLU  57   6.255   6.274   3.024
  231   1HB   GLU  57          2HB       GLU  57   9.121   7.097   3.701
  232   2HB   GLU  57          3HB       GLU  57   8.519   6.233   2.281
  233   1HG   GLU  57          2HG       GLU  57   8.506   8.303   1.289
  234   2HG   GLU  57          3HG       GLU  57   7.025   8.543   2.219
  235    H    GLU  58           H        GLU  58   8.437   6.548   5.838
  236    HA   GLU  58           HA       GLU  58   8.928   3.818   6.234
  237   1HB   GLU  58          2HB       GLU  58   8.871   6.200   8.133
  238   2HB   GLU  58          3HB       GLU  58   9.375   4.583   8.649
  239   1HG   GLU  58          2HG       GLU  58  10.669   6.033   6.289
  240   2HG   GLU  58          3HG       GLU  58  11.281   6.082   7.947
  241    H    GLU  59           H        GLU  59   5.940   5.603   6.964
  242    HA   GLU  59           HA       GLU  59   5.037   3.620   8.936
  243   1HB   GLU  59          2HB       GLU  59   3.622   5.911   7.544
  244   2HB   GLU  59          3HB       GLU  59   2.942   4.922   8.836
  245   1HG   GLU  59          2HG       GLU  59   5.572   6.262   9.450
  246   2HG   GLU  59          3HG       GLU  59   4.161   7.310   9.305
  247    H    ILE  60           H        ILE  60   4.266   4.649   5.551
  248    HA   ILE  60           HA       ILE  60   2.295   2.616   5.196
  249    HB   ILE  60           HB       ILE  60   3.876   4.045   3.064
  250   1HG1  ILE  60          2HG1      ILE  60   1.148   4.534   4.363
  251   2HG1  ILE  60          3HG1      ILE  60   2.594   5.471   4.629
  252   1HG2  ILE  60          1HG2      ILE  60   2.234   1.759   2.717
  253   2HG2  ILE  60          2HG2      ILE  60   1.141   3.086   2.406
  254   3HG2  ILE  60          3HG2      ILE  60   2.639   2.951   1.483
  255   1HD1  ILE  60          1HD1      ILE  60   2.637   6.031   2.151
  256   2HD1  ILE  60          2HD1      ILE  60   1.021   5.280   2.055
  257   3HD1  ILE  60          3HD1      ILE  60   1.277   6.698   3.080
  258    H    LEU  61           H        LEU  61   5.812   2.770   4.514
  259    HA   LEU  61           HA       LEU  61   6.076   0.259   3.286
  260   1HB   LEU  61          2HB       LEU  61   7.838   2.016   3.351
  261   2HB   LEU  61          3HB       LEU  61   8.067   1.723   5.075
  262    HG   LEU  61           HG       LEU  61   8.873  -0.528   4.638
  263   1HD1  LEU  61          1HD1      LEU  61   8.083   0.045   1.761
  264   2HD1  LEU  61          2HD1      LEU  61   9.274  -1.203   2.176
  265   3HD1  LEU  61          3HD1      LEU  61   7.620  -1.334   2.779
  266   1HD2  LEU  61          1HD2      LEU  61  10.150   1.524   2.798
  267   2HD2  LEU  61          2HD2      LEU  61  10.482   1.307   4.529
  268   3HD2  LEU  61          3HD2      LEU  61  10.924   0.031   3.380
  269    H    ASP  62           H        ASP  62   6.369   1.178   6.793
  270    HA   ASP  62           HA       ASP  62   6.753  -1.381   7.824
  271   1HB   ASP  62          2HB       ASP  62   6.834   0.746   9.121
  272   2HB   ASP  62          3HB       ASP  62   5.061   0.809   9.100
  273    H    ILE  63           H        ILE  63   3.575   0.262   7.155
  274    HA   ILE  63           HA       ILE  63   2.013  -2.008   7.952
  275    HB   ILE  63           HB       ILE  63   1.403   0.146   5.909
  276   1HG1  ILE  63          2HG1      ILE  63   0.472  -0.043   8.792
  277   2HG1  ILE  63          3HG1      ILE  63   1.881   0.878   8.283
  278   1HG2  ILE  63          1HG2      ILE  63  -0.833  -1.239   7.348
  279   2HG2  ILE  63          2HG2      ILE  63  -0.755  -0.554   5.724
  280   3HG2  ILE  63          3HG2      ILE  63  -0.093  -2.145   6.031
  281   1HD1  ILE  63          1HD1      ILE  63   0.524   2.278   6.803
  282   2HD1  ILE  63          2HD1      ILE  63  -0.933   1.378   7.288
  283   3HD1  ILE  63          3HD1      ILE  63  -0.047   2.348   8.478
  284    H    ILE  64           H        ILE  64   3.292  -1.219   4.653
  285    HA   ILE  64           HA       ILE  64   2.157  -3.498   3.389
  286    HB   ILE  64           HB       ILE  64   4.727  -1.996   2.789
  287   1HG1  ILE  64          2HG1      ILE  64   2.041  -1.864   1.360
  288   2HG1  ILE  64          3HG1      ILE  64   2.404  -0.802   2.707
  289   1HG2  ILE  64          1HG2      ILE  64   3.221  -4.118   1.214
  290   2HG2  ILE  64          2HG2      ILE  64   4.379  -2.999   0.467
  291   3HG2  ILE  64          3HG2      ILE  64   4.925  -4.140   1.699
  292   1HD1  ILE  64          1HD1      ILE  64   3.869  -0.868   0.051
  293   2HD1  ILE  64          2HD1      ILE  64   2.931   0.446   0.774
  294   3HD1  ILE  64          3HD1      ILE  64   4.478  -0.013   1.485
  295    H    LEU  65           H        LEU  65   5.186  -3.148   5.232
  296    HA   LEU  65           HA       LEU  65   6.031  -5.871   4.811
  297   1HB   LEU  65          2HB       LEU  65   6.863  -3.711   6.771
  298   2HB   LEU  65          3HB       LEU  65   7.648  -5.280   6.687
  299    HG   LEU  65           HG       LEU  65   7.430  -3.427   4.270
  300   1HD1  LEU  65          1HD1      LEU  65   9.717  -3.664   6.281
  301   2HD1  LEU  65          2HD1      LEU  65   9.741  -2.720   4.777
  302   3HD1  LEU  65          3HD1      LEU  65   8.638  -2.271   6.098
  303   1HD2  LEU  65          1HD2      LEU  65   9.184  -4.724   3.309
  304   2HD2  LEU  65          2HD2      LEU  65   9.496  -5.576   4.833
  305   3HD2  LEU  65          3HD2      LEU  65   8.009  -5.902   3.910
  306    H    ASN  66           H        ASN  66   3.822  -4.444   7.253
  307    HA   ASN  66           HA       ASN  66   4.120  -6.955   8.912
  308   1HB   ASN  66          2HB       ASN  66   3.726  -4.095   9.862
  309   2HB   ASN  66          3HB       ASN  66   3.757  -5.537  10.886
  310   1HD2  ASN  66          1HD2      ASN  66   5.569  -2.997  10.381
  311   2HD2  ASN  66          2HD2      ASN  66   7.175  -3.679  10.437
  312    H    GLY  67           H        GLY  67   2.412  -6.052   6.804
  313   1HA   GLY  67          1HA       GLY  67   0.303  -5.301   6.185
  314   2HA   GLY  67          2HA       GLY  67  -0.175  -6.801   6.848
  315    H    GLN  68           H        GLN  68  -2.047  -6.265   8.163
  316    HA   GLN  68           HA       GLN  68  -2.101  -4.757  10.476
  317   1HB   GLN  68          2HB       GLN  68  -1.651  -2.687   9.510
  318   2HB   GLN  68          3HB       GLN  68  -2.597  -3.005   8.045
  319   1HG   GLN  68          2HG       GLN  68  -4.627  -2.630   9.185
  320   2HG   GLN  68          3HG       GLN  68  -3.867  -2.672  10.791
  321   1HE2  GLN  68          1HE2      GLN  68  -5.499  -0.553   9.259
  322   2HE2  GLN  68          2HE2      GLN  68  -4.483   0.880   9.380
  323    H    GLY  69           H        GLY  69  -4.179  -5.205  11.527
  324   1HA   GLY  69          1HA       GLY  69  -5.789  -6.795  11.762
  325   2HA   GLY  69          2HA       GLY  69  -6.626  -5.633  10.735
  326    H    GLY  70           H        GLY  70  -7.444  -6.395   8.848
  327   1HA   GLY  70          1HA       GLY  70  -7.347  -9.207   8.215
  328   2HA   GLY  70          2HA       GLY  70  -8.141  -7.928   7.287
  329    H    MET  71           H        MET  71  -5.370  -6.518   7.260
  330    HA   MET  71           HA       MET  71  -4.634  -7.392   4.631
  331   1HB   MET  71          1HB       MET  71  -4.638  -5.046   5.504
  332   2HB   MET  71          2HB       MET  71  -3.243  -5.430   6.475
  333   1HG   MET  71          1HG       MET  71  -1.887  -5.976   4.696
  334   2HG   MET  71          2HG       MET  71  -3.153  -5.821   3.495
  335   1HE   MET  71          1HE       MET  71  -0.238  -2.974   3.466
  336   2HE   MET  71          2HE       MET  71  -0.146  -4.588   4.212
  337   3HE   MET  71          3HE       MET  71  -0.874  -4.421   2.628
  338    HA   PRO  72           HA       PRO  72  -1.710 -10.272   6.555
  339   1HB   PRO  72          2HB       PRO  72  -0.810 -11.556   4.285
  340   2HB   PRO  72          3HB       PRO  72  -2.316 -11.856   5.192
  341   1HG   PRO  72          2HG       PRO  72  -1.871 -10.336   2.605
  342   2HG   PRO  72          3HG       PRO  72  -3.285 -11.330   3.043
  343   1HD   PRO  72          2HD       PRO  72  -3.114  -8.511   3.204
  344   2HD   PRO  72          3HD       PRO  72  -4.305  -9.485   4.055
  345    H    GLY  73           H        GLY  73   0.113  -9.479   7.282
  346   1HA   GLY  73          1HA       GLY  73   1.732  -7.734   5.969
  347   2HA   GLY  73          2HA       GLY  73   2.338  -8.715   7.350
  348    H    GLY  74           H        GLY  74   3.300  -7.459   4.763
  349   1HA   GLY  74          1HA       GLY  74   5.268  -8.078   3.560
  350   2HA   GLY  74          2HA       GLY  74   5.045  -9.768   4.030
  351    H    ILE  75           H        ILE  75   2.667  -7.645   2.521
  352    HA   ILE  75           HA       ILE  75   1.961  -9.455   0.417
  353    HB   ILE  75           HB       ILE  75   1.293  -6.693   1.367
  354   1HG1  ILE  75          2HG1      ILE  75  -0.604  -8.745   0.260
  355   2HG1  ILE  75          3HG1      ILE  75   0.153  -9.004   1.827
  356   1HG2  ILE  75          1HG2      ILE  75  -0.113  -6.284  -0.694
  357   2HG2  ILE  75          2HG2      ILE  75   1.581  -6.265  -1.136
  358   3HG2  ILE  75          3HG2      ILE  75   0.595  -7.694  -1.478
  359   1HD1  ILE  75          1HD1      ILE  75  -0.950  -6.264   1.399
  360   2HD1  ILE  75          2HD1      ILE  75  -2.134  -7.572   1.494
  361   3HD1  ILE  75          3HD1      ILE  75  -1.007  -7.277   2.833
  362    H    ALA  76           H        ALA  76   3.674  -6.303   0.188
  363    HA   ALA  76           HA       ALA  76   5.303  -7.362  -2.090
  364   1HB   ALA  76          1HB       ALA  76   4.132  -5.327  -2.699
  365   2HB   ALA  76          2HB       ALA  76   4.650  -4.522  -1.208
  366   3HB   ALA  76          3HB       ALA  76   5.842  -4.937  -2.451
  367    H    LYS  77           H        LYS  77   7.639  -6.772  -1.922
  368    HA   LYS  77           HA       LYS  77   8.663  -5.956   0.689
  369   1HB   LYS  77          2HB       LYS  77   8.952  -8.786  -0.367
  370   2HB   LYS  77          3HB       LYS  77  10.359  -8.026   0.363
  371   1HG   LYS  77          2HG       LYS  77   8.730  -7.415   2.331
  372   2HG   LYS  77          3HG       LYS  77   7.726  -8.707   1.667
  373   1HD   LYS  77          2HD       LYS  77   9.529 -10.314   1.914
  374   2HD   LYS  77          3HD       LYS  77  10.704  -9.070   2.333
  375   1HE   LYS  77          2HE       LYS  77   8.235  -9.598   4.049
  376   2HE   LYS  77          3HE       LYS  77   9.738 -10.511   4.245
  377   1HZ   LYS  77          1HZ       LYS  77   9.513  -7.593   4.520
  378   2HZ   LYS  77          2HZ       LYS  77   9.644  -8.671   5.748
  379   3HZ   LYS  77          3HZ       LYS  77  10.892  -8.472   4.701
  380    H    GLY  78           H        GLY  78  11.201  -5.920   0.501
  381   1HA   GLY  78          1HA       GLY  78  13.018  -4.974  -0.534
  382   2HA   GLY  78          2HA       GLY  78  12.442  -5.783  -2.000
  383    H    ALA  79           H        ALA  79  13.251  -4.003  -3.208
  384    HA   ALA  79           HA       ALA  79  12.458  -1.322  -3.103
  385   1HB   ALA  79          1HB       ALA  79  12.876  -1.341  -5.568
  386   2HB   ALA  79          2HB       ALA  79  14.197  -1.992  -4.582
  387   3HB   ALA  79          3HB       ALA  79  13.118  -3.099  -5.469
  388    H    GLU  80           H        GLU  80  10.638  -4.159  -4.125
  389    HA   GLU  80           HA       GLU  80   8.553  -2.967  -5.596
  390   1HB   GLU  80          2HB       GLU  80   9.210  -5.533  -4.840
  391   2HB   GLU  80          3HB       GLU  80   7.884  -5.205  -3.711
  392   1HG   GLU  80          2HG       GLU  80   6.423  -4.675  -5.497
  393   2HG   GLU  80          3HG       GLU  80   7.681  -4.937  -6.708
  394    H    ALA  81           H        ALA  81   8.711  -3.779  -2.101
  395    HA   ALA  81           HA       ALA  81   6.331  -2.322  -1.404
  396   1HB   ALA  81          1HB       ALA  81   7.238  -4.130  -0.013
  397   2HB   ALA  81          2HB       ALA  81   8.646  -3.128   0.404
  398   3HB   ALA  81          3HB       ALA  81   7.009  -2.641   0.904
  399    H    GLU  82           H        GLU  82   9.825  -1.462  -1.012
  400    HA   GLU  82           HA       GLU  82   9.497   1.036   0.191
  401   1HB   GLU  82          2HB       GLU  82  11.604  -0.327  -1.393
  402   2HB   GLU  82          3HB       GLU  82  11.650   1.434  -1.527
  403   1HG   GLU  82          2HG       GLU  82  11.621   1.568   0.967
  404   2HG   GLU  82          3HG       GLU  82  11.804  -0.198   1.026
  405    H    ALA  83           H        ALA  83   9.635   0.384  -3.349
  406    HA   ALA  83           HA       ALA  83   9.364   3.076  -4.171
  407   1HB   ALA  83          1HB       ALA  83  10.023   1.266  -5.695
  408   2HB   ALA  83          2HB       ALA  83   8.407   0.530  -5.558
  409   3HB   ALA  83          3HB       ALA  83   8.598   2.130  -6.309
  410    H    VAL  84           H        VAL  84   6.868   0.542  -3.588
  411    HA   VAL  84           HA       VAL  84   4.619   2.159  -4.199
  412    HB   VAL  84           HB       VAL  84   4.914  -0.205  -2.311
  413   1HG1  VAL  84          1HG1      VAL  84   2.390  -0.281  -2.586
  414   2HG1  VAL  84          2HG1      VAL  84   2.983   1.015  -1.533
  415   3HG1  VAL  84          3HG1      VAL  84   2.471   1.388  -3.188
  416   1HG2  VAL  84          1HG2      VAL  84   3.756  -1.352  -4.150
  417   2HG2  VAL  84          2HG2      VAL  84   3.760   0.142  -5.106
  418   3HG2  VAL  84          3HG2      VAL  84   5.278  -0.676  -4.748
  419    H    ALA  85           H        ALA  85   6.214   1.642  -1.043
  420    HA   ALA  85           HA       ALA  85   4.634   3.352   0.489
  421   1HB   ALA  85          1HB       ALA  85   7.650   3.101   0.806
  422   2HB   ALA  85          2HB       ALA  85   6.438   3.502   2.030
  423   3HB   ALA  85          3HB       ALA  85   6.476   1.873   1.327
  424    H    ALA  86           H        ALA  86   7.609   4.269  -1.322
  425    HA   ALA  86           HA       ALA  86   7.479   7.033  -0.622
  426   1HB   ALA  86          1HB       ALA  86   9.510   5.923  -1.484
  427   2HB   ALA  86          2HB       ALA  86   8.750   5.770  -3.086
  428   3HB   ALA  86          3HB       ALA  86   9.100   7.379  -2.414
  429    H    TRP  87           H        TRP  87   6.210   5.286  -3.487
  430    HA   TRP  87           HA       TRP  87   5.211   7.594  -4.856
  431   1HB   TRP  87          2HB       TRP  87   5.558   5.460  -5.924
  432   2HB   TRP  87          3HB       TRP  87   4.416   4.687  -4.825
  433    HD1  TRP  87           HD1      TRP  87   4.259   7.455  -7.566
  434    HE1  TRP  87           HE1      TRP  87   2.133   6.997  -8.992
  435    HE3  TRP  87           HE3      TRP  87   2.374   3.387  -5.099
  436    HZ2  TRP  87           HZ2      TRP  87  -0.246   5.442  -8.797
  437    HZ3  TRP  87           HZ3      TRP  87   0.120   2.573  -5.639
  438    HH2  TRP  87           HH2      TRP  87  -1.112   3.433  -7.577
  439    H    LEU  88           H        LEU  88   3.597   5.275  -2.627
  440    HA   LEU  88           HA       LEU  88   1.080   6.584  -2.439
  441   1HB   LEU  88          2HB       LEU  88   2.567   4.767  -0.515
  442   2HB   LEU  88          3HB       LEU  88   1.029   5.520  -0.141
  443    HG   LEU  88           HG       LEU  88   1.406   3.073  -1.454
  444   1HD1  LEU  88          1HD1      LEU  88  -1.091   3.076  -1.517
  445   2HD1  LEU  88          2HD1      LEU  88  -0.462   3.557   0.086
  446   3HD1  LEU  88          3HD1      LEU  88  -1.092   4.780  -1.049
  447   1HD2  LEU  88          1HD2      LEU  88   1.518   4.458  -3.524
  448   2HD2  LEU  88          2HD2      LEU  88   0.249   3.213  -3.477
  449   3HD2  LEU  88          3HD2      LEU  88  -0.173   4.927  -3.273
  450    H    ALA  89           H        ALA  89   4.150   7.188  -0.708
  451    HA   ALA  89           HA       ALA  89   3.187   9.020   1.173
  452   1HB   ALA  89          1HB       ALA  89   5.366   9.761   1.430
  453   2HB   ALA  89          2HB       ALA  89   5.480   8.042   0.932
  454   3HB   ALA  89          3HB       ALA  89   5.849   9.354  -0.215
  455    H    GLU  90           H        GLU  90   4.229   9.580  -2.222
  456    HA   GLU  90           HA       GLU  90   3.575  12.418  -2.106
  457   1HB   GLU  90          2HB       GLU  90   5.319  11.441  -3.584
  458   2HB   GLU  90          3HB       GLU  90   4.048  10.701  -4.562
  459   1HG   GLU  90          2HG       GLU  90   3.608  13.612  -4.086
  460   2HG   GLU  90          3HG       GLU  90   5.161  13.274  -4.854
  461    H    LYS  91           H        LYS  91   1.874   9.413  -2.832
  462    HA   LYS  91           HA       LYS  91  -0.248  10.507  -4.311
  463   1HB   LYS  91          2HB       LYS  91   0.594   8.041  -3.940
  464   2HB   LYS  91          3HB       LYS  91  -0.535   8.064  -2.557
  465   1HG   LYS  91          2HG       LYS  91  -1.799   7.155  -4.250
  466   2HG   LYS  91          3HG       LYS  91  -2.251   8.854  -4.277
  467   1HD   LYS  91          2HD       LYS  91  -0.269   9.017  -6.112
  468   2HD   LYS  91          3HD       LYS  91  -0.396   7.262  -6.114
  469   1HE   LYS  91          2HE       LYS  91  -1.795   7.953  -7.900
  470   2HE   LYS  91          3HE       LYS  91  -2.906   7.541  -6.582
  471   1HZ   LYS  91          1HZ       LYS  91  -2.977   9.934  -6.045
  472   2HZ   LYS  91          2HZ       LYS  91  -2.061  10.245  -7.384
  473   3HZ   LYS  91          3HZ       LYS  91  -3.563   9.585  -7.530
  474    H    LYS  92           H        LYS  92  -1.893  11.794  -3.692
  475    HA   LYS  92           HA       LYS  92  -3.121  11.831  -1.084
  476   1HB   LYS  92          2HB       LYS  92  -1.669  14.170  -2.379
  477   2HB   LYS  92          3HB       LYS  92  -2.840  14.367  -1.070
  478   1HG   LYS  92          2HG       LYS  92  -1.430  13.449   0.556
  479   2HG   LYS  92          3HG       LYS  92  -0.511  12.530  -0.611
  480   1HD   LYS  92          2HD       LYS  92   0.149  14.987  -1.497
  481   2HD   LYS  92          3HD       LYS  92  -0.159  15.389   0.208
  482   1HE   LYS  92          2HE       LYS  92   1.491  13.668   0.916
  483   2HE   LYS  92          3HE       LYS  92   1.564  13.061  -0.741
  484   1HZ   LYS  92          1HZ       LYS  92   2.571  15.015  -1.482
  485   2HZ   LYS  92          2HZ       LYS  92   2.573  15.675   0.040
  486   3HZ   LYS  92          3HZ       LYS  92   3.450  14.313  -0.284
  487    HHA  HEC  93           HHA      HEC  93  -5.083  -0.516   6.443
  488    HHB  HEC  93           HHB      HEC  93  -0.656   0.699   2.004
  489    HHC  HEC  93           HHC      HEC  93  -1.924  -5.085  -0.662
  490    HHD  HEC  93           HHD      HEC  93  -7.042  -5.665   3.124
  491   1HMA  HEC  93          1HMA      HEC  93  -1.305   2.836   3.342
  492   2HMA  HEC  93          2HMA      HEC  93  -1.211   2.830   5.102
  493   3HMA  HEC  93          3HMA      HEC  93  -0.117   1.805   4.186
  494   1HAA  HEC  93          1HAA      HEC  93  -2.851   2.536   6.435
  495   2HAA  HEC  93          2HAA      HEC  93  -3.443   1.105   7.236
  496   1HBA  HEC  93          1HBA      HEC  93  -5.493   2.051   7.119
  497   2HBA  HEC  93          2HBA      HEC  93  -5.491   1.693   5.386
  498   1HMB  HEC  93          1HMB      HEC  93   1.336  -0.668  -0.721
  499   2HMB  HEC  93          2HMB      HEC  93  -0.115   0.180  -1.280
  500   3HMB  HEC  93          3HMB      HEC  93   0.595   0.539   0.294
  501    HAB  HEC  93           HAB      HEC  93  -0.372  -4.192  -1.769
  502   1HBB  HEC  93          1HBB      HEC  93   1.689  -4.093  -0.447
  503   2HBB  HEC  93          2HBB      HEC  93   1.944  -3.989  -2.202
  504   3HBB  HEC  93          3HBB      HEC  93   2.111  -2.552  -1.203
  505   1HMC  HEC  93          1HMC      HEC  93  -4.030  -6.528  -1.757
  506   2HMC  HEC  93          2HMC      HEC  93  -2.732  -7.286  -0.798
  507   3HMC  HEC  93          3HMC      HEC  93  -4.338  -8.000  -0.830
  508    HAC  HEC  93           HAC      HEC  93  -7.268  -7.061   1.580
  509   1HBC  HEC  93          1HBC      HEC  93  -6.888  -9.395   1.363
  510   2HBC  HEC  93          2HBC      HEC  93  -5.229  -9.159   0.786
  511   3HBC  HEC  93          3HBC      HEC  93  -5.672  -8.699   2.442
  512   1HMD  HEC  93          1HMD      HEC  93  -8.695  -5.082   4.480
  513   2HMD  HEC  93          2HMD      HEC  93  -7.855  -5.531   5.979
  514   3HMD  HEC  93          3HMD      HEC  93  -8.979  -4.150   5.943
  515   1HAD  HEC  93          1HAD      HEC  93  -8.302  -1.994   6.927
  516   2HAD  HEC  93          2HAD      HEC  93  -6.760  -1.369   7.468
  517   1HBD  HEC  93          1HBD      HEC  93  -6.258  -3.818   8.174
  518   2HBD  HEC  93          2HBD      HEC  93  -8.004  -4.054   8.060
  Start of MODEL   17
    1   1H    VAL  22          H1        VAL  22  11.788  -0.882 -10.345
    2   2H    VAL  22          H2        VAL  22  11.598  -0.818  -8.719
    3   3H    VAL  22          H3        VAL  22  12.316  -2.153  -9.417
    4    HA   VAL  22           HA       VAL  22  10.228  -2.641 -10.528
    5    HB   VAL  22           HB       VAL  22  10.214  -2.374  -7.486
    6   1HG1  VAL  22          1HG1      VAL  22   8.114  -3.643  -9.283
    7   2HG1  VAL  22          2HG1      VAL  22   8.298  -3.995  -7.555
    8   3HG1  VAL  22          3HG1      VAL  22   7.914  -2.348  -8.073
    9   1HG2  VAL  22          1HG2      VAL  22  10.462  -4.852  -7.598
   10   2HG2  VAL  22          2HG2      VAL  22  10.553  -4.757  -9.366
   11   3HG2  VAL  22          3HG2      VAL  22  11.824  -4.022  -8.360
   12    H    ASP  23           H        ASP  23   8.323  -1.782 -11.320
   13    HA   ASP  23           HA       ASP  23   7.834   1.021 -11.003
   14   1HB   ASP  23          2HB       ASP  23   6.454  -1.267 -12.440
   15   2HB   ASP  23          3HB       ASP  23   5.791   0.377 -12.421
   16    H    ALA  24           H        ALA  24   7.174   1.659  -9.027
   17    HA   ALA  24           HA       ALA  24   5.630   0.525  -7.084
   18   1HB   ALA  24          1HB       ALA  24   4.839   2.822  -6.559
   19   2HB   ALA  24          2HB       ALA  24   6.580   2.780  -6.899
   20   3HB   ALA  24          3HB       ALA  24   5.449   3.394  -8.122
   21    H    GLU  25           H        GLU  25   4.261   2.398  -9.868
   22    HA   GLU  25           HA       GLU  25   1.601   1.930  -9.170
   23   1HB   GLU  25          2HB       GLU  25   2.300   2.246 -12.079
   24   2HB   GLU  25          3HB       GLU  25   0.971   2.885 -11.125
   25   1HG   GLU  25          2HG       GLU  25   3.022   4.147  -9.879
   26   2HG   GLU  25          3HG       GLU  25   3.795   3.906 -11.445
   27    H    ALA  26           H        ALA  26   3.822  -0.111 -11.106
   28    HA   ALA  26           HA       ALA  26   1.801  -1.899 -12.110
   29   1HB   ALA  26          1HB       ALA  26   4.079  -1.695 -13.094
   30   2HB   ALA  26          2HB       ALA  26   4.737  -2.495 -11.641
   31   3HB   ALA  26          3HB       ALA  26   3.613  -3.360 -12.694
   32    H    VAL  27           H        VAL  27   3.972  -1.904  -9.248
   33    HA   VAL  27           HA       VAL  27   3.104  -4.433  -8.192
   34    HB   VAL  27           HB       VAL  27   4.093  -1.932  -6.739
   35   1HG1  VAL  27          1HG1      VAL  27   3.863  -4.806  -5.796
   36   2HG1  VAL  27          2HG1      VAL  27   4.618  -3.489  -4.889
   37   3HG1  VAL  27          3HG1      VAL  27   2.881  -3.467  -5.174
   38   1HG2  VAL  27          1HG2      VAL  27   5.715  -2.842  -8.345
   39   2HG2  VAL  27          2HG2      VAL  27   6.217  -3.152  -6.672
   40   3HG2  VAL  27          3HG2      VAL  27   5.511  -4.461  -7.663
   41    H    VAL  28           H        VAL  28   1.995  -1.074  -7.497
   42    HA   VAL  28           HA       VAL  28  -0.090  -1.830  -5.767
   43    HB   VAL  28           HB       VAL  28   0.271   0.598  -7.573
   44   1HG1  VAL  28          1HG1      VAL  28  -2.047   0.598  -7.290
   45   2HG1  VAL  28          2HG1      VAL  28  -1.930  -0.099  -5.665
   46   3HG1  VAL  28          3HG1      VAL  28  -1.488   1.592  -5.934
   47   1HG2  VAL  28          1HG2      VAL  28   0.952  -0.177  -4.732
   48   2HG2  VAL  28          2HG2      VAL  28   1.887   0.740  -5.916
   49   3HG2  VAL  28          3HG2      VAL  28   0.563   1.500  -5.056
   50    H    GLN  29           H        GLN  29  -0.174  -1.421  -9.269
   51    HA   GLN  29           HA       GLN  29  -2.794  -2.151  -9.815
   52   1HB   GLN  29          2HB       GLN  29  -0.279  -2.367 -11.403
   53   2HB   GLN  29          3HB       GLN  29  -1.820  -2.927 -12.034
   54   1HG   GLN  29          2HG       GLN  29  -1.511  -0.108 -10.901
   55   2HG   GLN  29          3HG       GLN  29  -1.099  -0.516 -12.568
   56   1HE2  GLN  29          1HE2      GLN  29  -3.756   0.009 -10.293
   57   2HE2  GLN  29          2HE2      GLN  29  -5.019  -0.131 -11.491
   58    H    GLN  30           H        GLN  30  -0.228  -4.296  -8.642
   59    HA   GLN  30           HA       GLN  30  -2.173  -6.471  -8.817
   60   1HB   GLN  30          2HB       GLN  30  -0.782  -6.362 -10.993
   61   2HB   GLN  30          3HB       GLN  30   0.562  -6.992 -10.032
   62   1HG   GLN  30          2HG       GLN  30  -0.797  -8.957  -9.419
   63   2HG   GLN  30          3HG       GLN  30  -2.215  -8.265 -10.231
   64   1HE2  GLN  30          1HE2      GLN  30  -0.981 -10.870 -10.779
   65   2HE2  GLN  30          2HE2      GLN  30  -0.500 -10.789 -12.466
   66    H    LYS  31           H        LYS  31  -1.549  -5.284  -6.617
   67    HA   LYS  31           HA       LYS  31  -0.956  -7.486  -4.946
   68   1HB   LYS  31          2HB       LYS  31   1.297  -5.470  -5.174
   69   2HB   LYS  31          3HB       LYS  31   0.870  -6.065  -3.592
   70   1HG   LYS  31          2HG       LYS  31   2.020  -7.936  -3.855
   71   2HG   LYS  31          3HG       LYS  31   1.013  -8.386  -5.229
   72   1HD   LYS  31          2HD       LYS  31   2.532  -6.798  -6.618
   73   2HD   LYS  31          3HD       LYS  31   3.644  -6.867  -5.239
   74   1HE   LYS  31          2HE       LYS  31   2.582  -9.432  -6.478
   75   2HE   LYS  31          3HE       LYS  31   3.864  -8.530  -7.288
   76   1HZ   LYS  31          1HZ       LYS  31   4.329  -9.087  -4.476
   77   2HZ   LYS  31          2HZ       LYS  31   4.523 -10.317  -5.584
   78   3HZ   LYS  31          3HZ       LYS  31   5.333  -8.898  -5.714
   79    H    CYS  32           H        CYS  32  -1.418  -3.918  -5.200
   80    HA   CYS  32           HA       CYS  32  -2.635  -3.993  -2.497
   81   1HB   CYS  32          2HB       CYS  32  -2.178  -1.566  -4.166
   82   2HB   CYS  32          3HB       CYS  32  -2.384  -1.692  -2.422
   83    H    ILE  33           H        ILE  33  -3.431  -2.868  -5.773
   84    HA   ILE  33           HA       ILE  33  -6.034  -2.023  -5.220
   85    HB   ILE  33           HB       ILE  33  -6.475  -2.297  -7.598
   86   1HG1  ILE  33          2HG1      ILE  33  -4.153  -3.205  -8.746
   87   2HG1  ILE  33          3HG1      ILE  33  -4.391  -4.375  -7.486
   88   1HG2  ILE  33          1HG2      ILE  33  -5.322  -0.311  -7.157
   89   2HG2  ILE  33          2HG2      ILE  33  -3.801  -1.107  -6.822
   90   3HG2  ILE  33          3HG2      ILE  33  -4.414  -1.014  -8.481
   91   1HD1  ILE  33          1HD1      ILE  33  -6.765  -4.667  -8.397
   92   2HD1  ILE  33          2HD1      ILE  33  -6.332  -3.516  -9.684
   93   3HD1  ILE  33          3HD1      ILE  33  -5.485  -5.067  -9.561
   94    H    SER  34           H        SER  34  -4.828  -5.316  -5.655
   95    HA   SER  34           HA       SER  34  -6.906  -6.903  -6.189
   96   1HB   SER  34          2HB       SER  34  -5.070  -7.348  -3.811
   97   2HB   SER  34          3HB       SER  34  -5.702  -8.542  -4.960
   98    HG   SER  34           HG       SER  34  -3.569  -8.007  -5.521
   99    H    CYS  35           H        CYS  35  -6.424  -5.087  -3.158
  100    HA   CYS  35           HA       CYS  35  -9.204  -5.854  -2.350
  101   1HB   CYS  35          2HB       CYS  35  -7.027  -4.963  -0.472
  102   2HB   CYS  35          3HB       CYS  35  -8.605  -5.661  -0.063
  103    H    HIS  36           HN       HIS  36  -6.711  -3.269  -2.431
  104    HA   HIS  36           HA       HIS  36  -8.483  -1.271  -1.350
  105   1HB   HIS  36          2HB       HIS  36  -5.747  -1.219  -2.684
  106   2HB   HIS  36          3HB       HIS  36  -6.567   0.221  -2.090
  107    HD1  HIS  36           HD1      HIS  36  -7.462  -0.066   0.586
  108    HD2  HIS  36           HD2      HIS  36  -4.206  -2.327  -0.772
  109    HE1  HIS  36           1HE      HIS  36  -6.225  -0.811   2.663
  110    H    GLY  37           H        GLY  37  -8.449  -2.663  -4.444
  111   1HA   GLY  37          1HA       GLY  37  -9.995  -2.244  -6.094
  112   2HA   GLY  37          2HA       GLY  37 -10.335  -0.625  -5.447
  113    H    GLY  38           H        GLY  38  -9.667  -1.370  -8.215
  114   1HA   GLY  38          1HA       GLY  38  -7.157  -0.991  -9.231
  115   2HA   GLY  38          2HA       GLY  38  -8.615  -0.302  -9.940
  116    H    ASP  39           H        ASP  39  -9.244   1.511  -7.835
  117    HA   ASP  39           HA       ASP  39  -7.337   3.658  -8.538
  118   1HB   ASP  39          2HB       ASP  39 -10.222   3.743  -7.579
  119   2HB   ASP  39          3HB       ASP  39  -9.247   5.124  -8.110
  120    H    LEU  40           H        LEU  40  -7.644   1.602  -5.788
  121    HA   LEU  40           HA       LEU  40  -7.040   1.820  -3.706
  122   1HB   LEU  40          2HB       LEU  40  -5.684   4.429  -4.490
  123   2HB   LEU  40          3HB       LEU  40  -5.411   3.475  -3.061
  124    HG   LEU  40           HG       LEU  40  -3.630   3.047  -4.509
  125   1HD1  LEU  40          1HD1      LEU  40  -5.412   0.589  -4.757
  126   2HD1  LEU  40          2HD1      LEU  40  -3.653   0.650  -4.658
  127   3HD1  LEU  40          3HD1      LEU  40  -4.612   1.094  -3.257
  128   1HD2  LEU  40          1HD2      LEU  40  -3.643   2.330  -6.746
  129   2HD2  LEU  40          2HD2      LEU  40  -5.367   2.004  -6.750
  130   3HD2  LEU  40          3HD2      LEU  40  -4.780   3.681  -6.680
  131    H    THR  41           H        THR  41  -9.531   2.975  -4.686
  132    HA   THR  41           HA       THR  41 -10.281   5.188  -2.924
  133    HB   THR  41           HB       THR  41 -12.512   4.644  -4.158
  134    HG1  THR  41           1HG      THR  41 -12.150   2.613  -4.906
  135   1HG2  THR  41          1HG2      THR  41 -11.726   5.671  -6.278
  136   2HG2  THR  41          2HG2      THR  41 -11.093   6.518  -4.851
  137   3HG2  THR  41          3HG2      THR  41 -10.043   5.428  -5.771
  138    H    GLY  42           H        GLY  42  -9.920   1.801  -2.721
  139   1HA   GLY  42          1HA       GLY  42 -10.302   0.553  -0.882
  140   2HA   GLY  42          2HA       GLY  42 -11.560   1.642  -0.267
  141    H    ALA  43           H        ALA  43 -11.331  -1.305  -1.124
  142    HA   ALA  43           HA       ALA  43 -14.013  -1.480  -2.408
  143   1HB   ALA  43          1HB       ALA  43 -12.645  -1.714  -4.336
  144   2HB   ALA  43          2HB       ALA  43 -11.520  -2.817  -3.535
  145   3HB   ALA  43          3HB       ALA  43 -13.174  -3.348  -3.896
  146    H    SER  44           H        SER  44 -11.557  -3.964  -1.672
  147    HA   SER  44           HA       SER  44 -13.399  -5.197   0.333
  148   1HB   SER  44          2HB       SER  44 -10.868  -6.215  -0.990
  149   2HB   SER  44          3HB       SER  44 -11.732  -7.058   0.296
  150    HG   SER  44           HG       SER  44 -12.930  -6.253  -2.153
  151    H    ALA  45           H        ALA  45 -11.325  -2.674   0.398
  152    HA   ALA  45           HA       ALA  45 -10.370  -3.104   3.114
  153   1HB   ALA  45          1HB       ALA  45  -8.525  -2.845   0.678
  154   2HB   ALA  45          2HB       ALA  45  -7.975  -2.809   2.353
  155   3HB   ALA  45          3HB       ALA  45  -8.701  -4.277   1.712
  156    HA   PRO  46           HA       PRO  46 -11.062   1.231   3.091
  157   1HB   PRO  46          2HB       PRO  46  -9.059   2.368   4.627
  158   2HB   PRO  46          3HB       PRO  46 -10.365   1.347   5.294
  159   1HG   PRO  46          2HG       PRO  46  -7.562   0.506   4.534
  160   2HG   PRO  46          3HG       PRO  46  -8.437   0.160   6.051
  161   1HD   PRO  46          2HD       PRO  46  -8.322  -1.633   4.051
  162   2HD   PRO  46          3HD       PRO  46  -9.838  -1.444   4.965
  163    H    ALA  47           H        ALA  47 -10.330   3.383   2.282
  164    HA   ALA  47           HA       ALA  47  -8.865   3.038  -0.183
  165   1HB   ALA  47          1HB       ALA  47 -10.844   4.522   0.223
  166   2HB   ALA  47          2HB       ALA  47  -9.802   5.604   1.160
  167   3HB   ALA  47          3HB       ALA  47  -9.471   5.338  -0.568
  168    H    ILE  48           H        ILE  48  -6.738   3.353  -0.576
  169    HA   ILE  48           HA       ILE  48  -5.065   4.674   1.534
  170    HB   ILE  48           HB       ILE  48  -3.182   3.436   0.842
  171   1HG1  ILE  48          2HG1      ILE  48  -4.869   1.936  -1.175
  172   2HG1  ILE  48          3HG1      ILE  48  -3.743   3.250  -1.584
  173   1HG2  ILE  48          1HG2      ILE  48  -3.897   1.190   1.572
  174   2HG2  ILE  48          2HG2      ILE  48  -4.655   2.463   2.537
  175   3HG2  ILE  48          3HG2      ILE  48  -5.582   1.633   1.279
  176   1HD1  ILE  48          1HD1      ILE  48  -2.543   1.252  -1.972
  177   2HD1  ILE  48          2HD1      ILE  48  -1.885   1.973  -0.498
  178   3HD1  ILE  48          3HD1      ILE  48  -2.986   0.575  -0.400
  179    H    ASP  49           H        ASP  49  -6.519   5.327  -1.389
  180    HA   ASP  49           HA       ASP  49  -4.934   6.686  -3.046
  181   1HB   ASP  49          2HB       ASP  49  -7.277   6.771  -3.311
  182   2HB   ASP  49          3HB       ASP  49  -7.533   7.492  -1.711
  183    H    LYS  50           H        LYS  50  -5.719   7.980   0.228
  184    HA   LYS  50           HA       LYS  50  -3.760  10.183  -0.205
  185   1HB   LYS  50          2HB       LYS  50  -4.993  11.307   1.623
  186   2HB   LYS  50          3HB       LYS  50  -5.953  11.034   0.171
  187   1HG   LYS  50          2HG       LYS  50  -7.297   9.419   1.140
  188   2HG   LYS  50          3HG       LYS  50  -6.107   8.977   2.386
  189   1HD   LYS  50          2HD       LYS  50  -6.431  11.012   3.593
  190   2HD   LYS  50          3HD       LYS  50  -7.407  11.716   2.283
  191   1HE   LYS  50          2HE       LYS  50  -9.187  10.047   2.667
  192   2HE   LYS  50          3HE       LYS  50  -8.225   9.273   3.940
  193   1HZ   LYS  50          1HZ       LYS  50  -8.361  11.285   5.209
  194   2HZ   LYS  50          2HZ       LYS  50  -9.205  12.050   4.019
  195   3HZ   LYS  50          3HZ       LYS  50  -9.880  10.782   4.819
  196    H    ALA  51           H        ALA  51  -3.170   7.318   0.648
  197    HA   ALA  51           HA       ALA  51  -2.731   7.202   3.415
  198   1HB   ALA  51          1HB       ALA  51  -1.123   5.865   1.219
  199   2HB   ALA  51          2HB       ALA  51  -1.104   5.440   2.949
  200   3HB   ALA  51          3HB       ALA  51  -2.590   5.240   2.019
  201    H    GLY  52           H        GLY  52  -0.581   8.523   0.820
  202   1HA   GLY  52          1HA       GLY  52   1.678   9.044   2.352
  203   2HA   GLY  52          2HA       GLY  52   1.138  10.015   0.967
  204    H    ALA  53           H        ALA  53  -1.413  10.753   2.512
  205    HA   ALA  53           HA       ALA  53  -0.212  13.016   4.045
  206   1HB   ALA  53          1HB       ALA  53  -3.029  12.388   3.102
  207   2HB   ALA  53          2HB       ALA  53  -2.671  13.628   4.320
  208   3HB   ALA  53          3HB       ALA  53  -1.994  13.786   2.704
  209    H    ASN  54           H        ASN  54  -2.348  10.170   4.412
  210    HA   ASN  54           HA       ASN  54  -2.976  10.551   7.154
  211   1HB   ASN  54          2HB       ASN  54  -2.657   7.941   5.624
  212   2HB   ASN  54          3HB       ASN  54  -3.399   8.108   7.215
  213   1HD2  ASN  54          1HD2      ASN  54  -4.652   7.007   4.862
  214   2HD2  ASN  54          2HD2      ASN  54  -6.069   7.991   4.575
  215    H    TYR  55           H        TYR  55  -0.202   8.834   5.644
  216    HA   TYR  55           HA       TYR  55   1.253   8.754   8.211
  217   1HB   TYR  55          2HB       TYR  55   0.918   6.307   6.454
  218   2HB   TYR  55          3HB       TYR  55   1.540   6.393   8.094
  219    HD1  TYR  55           HD1      TYR  55  -1.166   5.316   6.192
  220    HD2  TYR  55           HD2      TYR  55  -0.262   7.347   9.887
  221    HE1  TYR  55           HE1      TYR  55  -3.378   4.665   7.096
  222    HE2  TYR  55           HE2      TYR  55  -2.504   6.732  10.762
  223    HH   TYR  55           HH       TYR  55  -4.696   4.532   9.036
  224    H    SER  56           H        SER  56   3.602   8.470   7.815
  225    HA   SER  56           HA       SER  56   4.439   9.570   5.219
  226   1HB   SER  56          2HB       SER  56   6.638   9.679   6.215
  227   2HB   SER  56          3HB       SER  56   5.447  10.239   7.407
  228    HG   SER  56           HG       SER  56   6.748   8.780   8.461
  229    H    GLU  57           H        GLU  57   6.482   8.534   4.150
  230    HA   GLU  57           HA       GLU  57   5.905   5.998   3.098
  231   1HB   GLU  57          2HB       GLU  57   8.306   5.878   2.490
  232   2HB   GLU  57          3HB       GLU  57   7.424   7.237   1.832
  233   1HG   GLU  57          2HG       GLU  57   9.017   7.593   4.366
  234   2HG   GLU  57          3HG       GLU  57   9.770   7.552   2.776
  235    H    GLU  58           H        GLU  58   7.932   6.823   5.965
  236    HA   GLU  58           HA       GLU  58   8.872   4.180   6.422
  237   1HB   GLU  58          2HB       GLU  58   8.453   6.586   8.234
  238   2HB   GLU  58          3HB       GLU  58   8.973   5.024   8.880
  239   1HG   GLU  58          2HG       GLU  58  10.896   4.975   7.342
  240   2HG   GLU  58          3HG       GLU  58  10.432   6.553   6.682
  241    H    GLU  59           H        GLU  59   5.800   5.775   7.458
  242    HA   GLU  59           HA       GLU  59   5.071   3.588   9.230
  243   1HB   GLU  59          2HB       GLU  59   3.604   5.940   8.005
  244   2HB   GLU  59          3HB       GLU  59   2.878   4.840   9.207
  245   1HG   GLU  59          2HG       GLU  59   4.546   5.529  10.867
  246   2HG   GLU  59          3HG       GLU  59   5.362   6.557   9.676
  247    H    ILE  60           H        ILE  60   4.178   4.721   5.957
  248    HA   ILE  60           HA       ILE  60   2.210   2.763   5.405
  249    HB   ILE  60           HB       ILE  60   4.016   4.375   3.585
  250   1HG1  ILE  60          2HG1      ILE  60   1.144   4.623   4.567
  251   2HG1  ILE  60          3HG1      ILE  60   2.488   5.627   4.990
  252   1HG2  ILE  60          1HG2      ILE  60   1.591   2.661   2.848
  253   2HG2  ILE  60          2HG2      ILE  60   2.455   3.755   1.745
  254   3HG2  ILE  60          3HG2      ILE  60   3.271   2.343   2.376
  255   1HD1  ILE  60          1HD1      ILE  60   1.290   6.847   3.365
  256   2HD1  ILE  60          2HD1      ILE  60   2.725   6.254   2.517
  257   3HD1  ILE  60          3HD1      ILE  60   1.143   5.457   2.279
  258    H    LEU  61           H        LEU  61   5.718   2.893   4.753
  259    HA   LEU  61           HA       LEU  61   5.975   0.463   3.411
  260   1HB   LEU  61          2HB       LEU  61   7.741   2.167   3.474
  261   2HB   LEU  61          3HB       LEU  61   7.960   1.918   5.213
  262    HG   LEU  61           HG       LEU  61   8.804  -0.332   4.820
  263   1HD1  LEU  61          1HD1      LEU  61   8.204   0.267   1.890
  264   2HD1  LEU  61          2HD1      LEU  61   9.245  -1.069   2.431
  265   3HD1  LEU  61          3HD1      LEU  61   7.536  -1.047   2.879
  266   1HD2  LEU  61          1HD2      LEU  61  10.124   1.683   2.952
  267   2HD2  LEU  61          2HD2      LEU  61  10.354   1.605   4.711
  268   3HD2  LEU  61          3HD2      LEU  61  10.891   0.261   3.689
  269    H    ASP  62           H        ASP  62   6.320   1.197   6.939
  270    HA   ASP  62           HA       ASP  62   6.678  -1.455   7.748
  271   1HB   ASP  62          2HB       ASP  62   6.364   1.044   9.038
  272   2HB   ASP  62          3HB       ASP  62   4.979   0.127   9.603
  273    H    ILE  63           H        ILE  63   3.565   0.315   7.266
  274    HA   ILE  63           HA       ILE  63   1.919  -1.934   7.963
  275    HB   ILE  63           HB       ILE  63   1.394   0.496   6.211
  276   1HG1  ILE  63          2HG1      ILE  63   0.226  -0.020   8.920
  277   2HG1  ILE  63          3HG1      ILE  63   1.833   0.698   8.742
  278   1HG2  ILE  63          1HG2      ILE  63  -0.477  -1.727   7.115
  279   2HG2  ILE  63          2HG2      ILE  63  -1.071  -0.135   6.654
  280   3HG2  ILE  63          3HG2      ILE  63  -0.223  -1.124   5.462
  281   1HD1  ILE  63          1HD1      ILE  63  -0.036   2.377   8.976
  282   2HD1  ILE  63          2HD1      ILE  63   1.025   2.601   7.577
  283   3HD1  ILE  63          3HD1      ILE  63  -0.587   1.904   7.361
  284    H    ILE  64           H        ILE  64   3.516  -1.163   4.879
  285    HA   ILE  64           HA       ILE  64   2.115  -3.280   3.442
  286    HB   ILE  64           HB       ILE  64   4.672  -1.754   2.871
  287   1HG1  ILE  64          2HG1      ILE  64   1.976  -1.665   1.462
  288   2HG1  ILE  64          3HG1      ILE  64   2.335  -0.621   2.829
  289   1HG2  ILE  64          1HG2      ILE  64   4.442  -2.719   0.554
  290   2HG2  ILE  64          2HG2      ILE  64   4.898  -3.914   1.769
  291   3HG2  ILE  64          3HG2      ILE  64   3.221  -3.837   1.193
  292   1HD1  ILE  64          1HD1      ILE  64   3.830  -0.613   0.183
  293   2HD1  ILE  64          2HD1      ILE  64   2.779   0.641   0.858
  294   3HD1  ILE  64          3HD1      ILE  64   4.326   0.282   1.633
  295    H    LEU  65           H        LEU  65   5.246  -3.032   5.127
  296    HA   LEU  65           HA       LEU  65   6.060  -5.721   4.592
  297   1HB   LEU  65          2HB       LEU  65   6.954  -3.653   6.618
  298   2HB   LEU  65          3HB       LEU  65   7.757  -5.203   6.404
  299    HG   LEU  65           HG       LEU  65   7.445  -3.137   4.172
  300   1HD1  LEU  65          1HD1      LEU  65   8.832  -2.300   6.061
  301   2HD1  LEU  65          2HD1      LEU  65   9.857  -3.742   5.938
  302   3HD1  LEU  65          3HD1      LEU  65   9.796  -2.580   4.598
  303   1HD2  LEU  65          1HD2      LEU  65   7.808  -5.398   3.268
  304   2HD2  LEU  65          2HD2      LEU  65   9.269  -4.425   3.087
  305   3HD2  LEU  65          3HD2      LEU  65   9.178  -5.638   4.379
  306    H    ASN  66           H        ASN  66   3.965  -4.411   7.180
  307    HA   ASN  66           HA       ASN  66   4.364  -6.959   8.751
  308   1HB   ASN  66          2HB       ASN  66   3.692  -4.233   9.873
  309   2HB   ASN  66          3HB       ASN  66   4.137  -5.695  10.765
  310   1HD2  ASN  66          1HD2      ASN  66   5.285  -2.984  10.854
  311   2HD2  ASN  66          2HD2      ASN  66   6.923  -3.030  10.285
  312    H    GLY  67           H        GLY  67   2.544  -5.923   6.696
  313   1HA   GLY  67          1HA       GLY  67   0.327  -5.264   6.173
  314   2HA   GLY  67          2HA       GLY  67  -0.030  -6.744   6.917
  315    H    GLN  68           H        GLN  68  -1.998  -6.017   8.035
  316    HA   GLN  68           HA       GLN  68  -1.968  -4.556  10.421
  317   1HB   GLN  68          2HB       GLN  68  -1.450  -2.524   9.269
  318   2HB   GLN  68          3HB       GLN  68  -2.648  -2.805   8.008
  319   1HG   GLN  68          2HG       GLN  68  -4.370  -2.033   9.341
  320   2HG   GLN  68          3HG       GLN  68  -3.630  -2.585  10.850
  321   1HE2  GLN  68          1HE2      GLN  68  -4.586   0.221   9.310
  322   2HE2  GLN  68          2HE2      GLN  68  -3.382   1.271  10.009
  323    H    GLY  69           H        GLY  69  -4.081  -4.870  11.465
  324   1HA   GLY  69          1HA       GLY  69  -5.773  -6.361  11.774
  325   2HA   GLY  69          2HA       GLY  69  -6.531  -5.303  10.585
  326    H    GLY  70           H        GLY  70  -7.341  -6.302   8.810
  327   1HA   GLY  70          1HA       GLY  70  -7.050  -9.160   8.410
  328   2HA   GLY  70          2HA       GLY  70  -7.969  -8.021   7.418
  329    H    MET  71           H        MET  71  -5.307  -6.388   7.211
  330    HA   MET  71           HA       MET  71  -4.586  -7.343   4.626
  331   1HB   MET  71          1HB       MET  71  -4.514  -4.974   5.473
  332   2HB   MET  71          2HB       MET  71  -3.102  -5.377   6.404
  333   1HG   MET  71          1HG       MET  71  -1.807  -5.986   4.593
  334   2HG   MET  71          2HG       MET  71  -3.110  -5.828   3.432
  335   1HE   MET  71          1HE       MET  71  -0.005  -4.594   3.982
  336   2HE   MET  71          2HE       MET  71  -0.898  -4.737   2.465
  337   3HE   MET  71          3HE       MET  71  -0.212  -3.157   2.956
  338    HA   PRO  72           HA       PRO  72  -1.578 -10.217   6.455
  339   1HB   PRO  72          2HB       PRO  72  -0.751 -11.503   4.169
  340   2HB   PRO  72          3HB       PRO  72  -2.233 -11.817   5.102
  341   1HG   PRO  72          2HG       PRO  72  -1.865 -10.255   2.535
  342   2HG   PRO  72          3HG       PRO  72  -3.234 -11.310   2.965
  343   1HD   PRO  72          2HD       PRO  72  -3.204  -8.498   3.181
  344   2HD   PRO  72          3HD       PRO  72  -4.303  -9.555   4.074
  345    H    GLY  73           H        GLY  73   0.284  -9.479   7.079
  346   1HA   GLY  73          1HA       GLY  73   1.709  -7.531   5.734
  347   2HA   GLY  73          2HA       GLY  73   2.377  -8.477   7.121
  348    H    GLY  74           H        GLY  74   3.420  -7.178   4.665
  349   1HA   GLY  74          1HA       GLY  74   5.366  -7.691   3.431
  350   2HA   GLY  74          2HA       GLY  74   5.291  -9.365   4.004
  351    H    ILE  75           H        ILE  75   2.628  -7.658   2.479
  352    HA   ILE  75           HA       ILE  75   2.144  -9.550   0.406
  353    HB   ILE  75           HB       ILE  75   1.142  -6.897   1.337
  354   1HG1  ILE  75          2HG1      ILE  75  -0.365  -9.111  -0.059
  355   2HG1  ILE  75          3HG1      ILE  75   0.175  -9.264   1.616
  356   1HG2  ILE  75          1HG2      ILE  75   1.681  -6.309  -1.114
  357   2HG2  ILE  75          2HG2      ILE  75   0.836  -7.777  -1.625
  358   3HG2  ILE  75          3HG2      ILE  75  -0.048  -6.444  -0.889
  359   1HD1  ILE  75          1HD1      ILE  75  -2.190  -8.317   1.215
  360   2HD1  ILE  75          2HD1      ILE  75  -1.146  -7.428   2.354
  361   3HD1  ILE  75          3HD1      ILE  75  -1.388  -6.825   0.729
  362    H    ALA  76           H        ALA  76   3.762  -6.358   0.290
  363    HA   ALA  76           HA       ALA  76   5.517  -7.373  -1.878
  364   1HB   ALA  76          1HB       ALA  76   5.937  -4.989  -2.339
  365   2HB   ALA  76          2HB       ALA  76   4.213  -5.362  -2.495
  366   3HB   ALA  76          3HB       ALA  76   4.818  -4.522  -1.048
  367    H    LYS  77           H        LYS  77   7.788  -6.923  -1.669
  368    HA   LYS  77           HA       LYS  77   8.854  -6.176   1.005
  369   1HB   LYS  77          2HB       LYS  77   9.289  -8.752  -0.538
  370   2HB   LYS  77          3HB       LYS  77  10.492  -8.182   0.611
  371   1HG   LYS  77          2HG       LYS  77   7.619  -8.408   1.534
  372   2HG   LYS  77          3HG       LYS  77   8.539  -9.876   1.304
  373   1HD   LYS  77          2HD       LYS  77  10.051  -7.819   2.827
  374   2HD   LYS  77          3HD       LYS  77   8.519  -8.264   3.590
  375   1HE   LYS  77          2HE       LYS  77   9.095 -10.650   3.517
  376   2HE   LYS  77          3HE       LYS  77  10.603 -10.300   2.653
  377   1HZ   LYS  77          1HZ       LYS  77  10.928 -10.671   5.000
  378   2HZ   LYS  77          2HZ       LYS  77  11.390  -9.149   4.592
  379   3HZ   LYS  77          3HZ       LYS  77   9.968  -9.397   5.389
  380    H    GLY  78           H        GLY  78  11.133  -5.552   0.898
  381   1HA   GLY  78          1HA       GLY  78  12.906  -4.432  -0.038
  382   2HA   GLY  78          2HA       GLY  78  12.726  -5.535  -1.415
  383    H    ALA  79           H        ALA  79  13.058  -4.041  -3.086
  384    HA   ALA  79           HA       ALA  79  12.109  -1.430  -3.326
  385   1HB   ALA  79          1HB       ALA  79  13.704  -2.457  -4.899
  386   2HB   ALA  79          2HB       ALA  79  12.414  -3.506  -5.538
  387   3HB   ALA  79          3HB       ALA  79  12.320  -1.746  -5.751
  388    H    GLU  80           H        GLU  80  10.354  -4.489  -3.847
  389    HA   GLU  80           HA       GLU  80   8.126  -3.429  -5.240
  390   1HB   GLU  80          2HB       GLU  80   8.901  -5.907  -4.823
  391   2HB   GLU  80          3HB       GLU  80   7.958  -5.778  -3.332
  392   1HG   GLU  80          2HG       GLU  80   5.968  -5.202  -4.658
  393   2HG   GLU  80          3HG       GLU  80   6.929  -5.350  -6.145
  394    H    ALA  81           H        ALA  81   9.008  -3.501  -1.806
  395    HA   ALA  81           HA       ALA  81   6.379  -2.454  -0.940
  396   1HB   ALA  81          1HB       ALA  81   7.259  -2.619   1.284
  397   2HB   ALA  81          2HB       ALA  81   7.623  -4.119   0.435
  398   3HB   ALA  81          3HB       ALA  81   8.907  -2.927   0.693
  399    H    GLU  82           H        GLU  82   9.826  -1.441  -0.824
  400    HA   GLU  82           HA       GLU  82   9.518   1.137   0.170
  401   1HB   GLU  82          2HB       GLU  82  11.553  -0.021  -1.773
  402   2HB   GLU  82          3HB       GLU  82  11.690   1.573  -1.070
  403   1HG   GLU  82          2HG       GLU  82  11.178  -0.158   1.140
  404   2HG   GLU  82          3HG       GLU  82  12.341  -1.013   0.118
  405    H    ALA  83           H        ALA  83   9.566   0.196  -3.316
  406    HA   ALA  83           HA       ALA  83   9.407   2.849  -4.303
  407   1HB   ALA  83          1HB       ALA  83   8.357   0.293  -5.601
  408   2HB   ALA  83          2HB       ALA  83   8.744   1.820  -6.417
  409   3HB   ALA  83          3HB       ALA  83  10.039   0.870  -5.670
  410    H    VAL  84           H        VAL  84   6.865   0.450  -3.533
  411    HA   VAL  84           HA       VAL  84   4.638   2.038  -4.345
  412    HB   VAL  84           HB       VAL  84   4.909  -0.262  -2.364
  413   1HG1  VAL  84          1HG1      VAL  84   2.437   1.173  -3.392
  414   2HG1  VAL  84          2HG1      VAL  84   2.420  -0.437  -2.648
  415   3HG1  VAL  84          3HG1      VAL  84   2.924   0.974  -1.699
  416   1HG2  VAL  84          1HG2      VAL  84   3.823  -1.490  -4.196
  417   2HG2  VAL  84          2HG2      VAL  84   3.841  -0.035  -5.209
  418   3HG2  VAL  84          3HG2      VAL  84   5.364  -0.798  -4.750
  419    H    ALA  85           H        ALA  85   5.965   1.472  -1.060
  420    HA   ALA  85           HA       ALA  85   4.444   3.282   0.379
  421   1HB   ALA  85          1HB       ALA  85   7.438   2.800   0.752
  422   2HB   ALA  85          2HB       ALA  85   6.320   3.463   1.952
  423   3HB   ALA  85          3HB       ALA  85   6.135   1.782   1.396
  424    H    ALA  86           H        ALA  86   7.565   4.042  -1.227
  425    HA   ALA  86           HA       ALA  86   7.576   6.802  -0.546
  426   1HB   ALA  86          1HB       ALA  86   9.335   6.985  -2.261
  427   2HB   ALA  86          2HB       ALA  86   9.579   5.567  -1.223
  428   3HB   ALA  86          3HB       ALA  86   8.930   5.362  -2.865
  429    H    TRP  87           H        TRP  87   6.427   5.121  -3.512
  430    HA   TRP  87           HA       TRP  87   5.685   7.434  -4.983
  431   1HB   TRP  87          2HB       TRP  87   5.899   5.227  -5.937
  432   2HB   TRP  87          3HB       TRP  87   4.620   4.595  -4.906
  433    HD1  TRP  87           HD1      TRP  87   5.105   6.922  -7.910
  434    HE1  TRP  87           HE1      TRP  87   3.039   6.662  -9.460
  435    HE3  TRP  87           HE3      TRP  87   2.155   4.066  -4.888
  436    HZ2  TRP  87           HZ2      TRP  87   0.459   5.438  -9.354
  437    HZ3  TRP  87           HZ3      TRP  87  -0.168   3.489  -5.588
  438    HH2  TRP  87           HH2      TRP  87  -0.914   3.962  -7.913
  439    H    LEU  88           H        LEU  88   3.734   5.349  -2.791
  440    HA   LEU  88           HA       LEU  88   1.467   7.093  -2.855
  441   1HB   LEU  88          2HB       LEU  88   2.255   4.731  -1.202
  442   2HB   LEU  88          3HB       LEU  88   1.082   5.830  -0.498
  443    HG   LEU  88           HG       LEU  88   0.360   5.351  -3.302
  444   1HD1  LEU  88          1HD1      LEU  88   0.509   2.904  -1.535
  445   2HD1  LEU  88          2HD1      LEU  88  -0.225   3.043  -3.158
  446   3HD1  LEU  88          3HD1      LEU  88   1.533   3.243  -2.949
  447   1HD2  LEU  88          1HD2      LEU  88  -1.056   4.569  -0.730
  448   2HD2  LEU  88          2HD2      LEU  88  -1.134   6.200  -1.458
  449   3HD2  LEU  88          3HD2      LEU  88  -1.781   4.796  -2.331
  450    H    ALA  89           H        ALA  89   4.381   7.208  -0.828
  451    HA   ALA  89           HA       ALA  89   3.440   9.136   0.997
  452   1HB   ALA  89          1HB       ALA  89   5.682   9.682   1.444
  453   2HB   ALA  89          2HB       ALA  89   5.613   7.954   1.045
  454   3HB   ALA  89          3HB       ALA  89   6.239   9.134  -0.142
  455    H    GLU  90           H        GLU  90   4.213   9.465  -2.442
  456    HA   GLU  90           HA       GLU  90   3.749  12.382  -2.285
  457   1HB   GLU  90          2HB       GLU  90   4.667  10.555  -4.517
  458   2HB   GLU  90          3HB       GLU  90   4.240  12.256  -4.768
  459   1HG   GLU  90          2HG       GLU  90   6.348  11.337  -2.754
  460   2HG   GLU  90          3HG       GLU  90   6.685  11.875  -4.399
  461    H    LYS  91           H        LYS  91   1.958   9.453  -3.172
  462    HA   LYS  91           HA       LYS  91  -0.149  11.086  -4.416
  463   1HB   LYS  91          2HB       LYS  91  -0.208   8.194  -3.527
  464   2HB   LYS  91          3HB       LYS  91  -1.466   9.022  -4.397
  465   1HG   LYS  91          2HG       LYS  91   0.515   9.673  -6.095
  466   2HG   LYS  91          3HG       LYS  91   1.333   8.321  -5.320
  467   1HD   LYS  91          2HD       LYS  91   0.279   7.357  -7.174
  468   2HD   LYS  91          3HD       LYS  91  -0.756   6.923  -5.813
  469   1HE   LYS  91          2HE       LYS  91  -2.336   7.594  -7.394
  470   2HE   LYS  91          3HE       LYS  91  -2.109   9.114  -6.527
  471   1HZ   LYS  91          1HZ       LYS  91  -0.508   9.724  -8.271
  472   2HZ   LYS  91          2HZ       LYS  91  -0.856   8.333  -9.080
  473   3HZ   LYS  91          3HZ       LYS  91  -2.024   9.469  -8.857
  474    H    LYS  92           H        LYS  92  -1.121  12.605  -3.175
  475    HA   LYS  92           HA       LYS  92  -2.700  11.969  -0.919
  476   1HB   LYS  92          2HB       LYS  92  -1.468  13.307   0.693
  477   2HB   LYS  92          3HB       LYS  92  -0.434  11.988   0.145
  478   1HG   LYS  92          2HG       LYS  92   0.360  13.819  -1.634
  479   2HG   LYS  92          3HG       LYS  92  -0.277  14.961  -0.455
  480   1HD   LYS  92          2HD       LYS  92   1.285  14.128   1.255
  481   2HD   LYS  92          3HD       LYS  92   1.687  12.747   0.226
  482   1HE   LYS  92          2HE       LYS  92   2.524  14.464  -1.528
  483   2HE   LYS  92          3HE       LYS  92   2.487  15.659  -0.225
  484   1HZ   LYS  92          1HZ       LYS  92   3.934  13.093  -0.063
  485   2HZ   LYS  92          2HZ       LYS  92   4.649  14.352  -0.735
  486   3HZ   LYS  92          3HZ       LYS  92   4.191  14.413   0.876
  487    HHA  HEC  93           HHA      HEC  93  -4.971  -0.563   6.406
  488    HHB  HEC  93           HHB      HEC  93  -0.609   0.719   1.882
  489    HHC  HEC  93           HHC      HEC  93  -1.919  -5.045  -0.806
  490    HHD  HEC  93           HHD      HEC  93  -6.998  -5.645   3.072
  491   1HMA  HEC  93          1HMA      HEC  93  -0.979   2.647   3.133
  492   2HMA  HEC  93          2HMA      HEC  93  -1.445   3.044   4.775
  493   3HMA  HEC  93          3HMA      HEC  93  -0.123   1.900   4.505
  494   1HAA  HEC  93          1HAA      HEC  93  -2.678   2.429   6.469
  495   2HAA  HEC  93          2HAA      HEC  93  -3.334   0.974   7.168
  496   1HBA  HEC  93          1HBA      HEC  93  -5.408   1.657   5.487
  497   2HBA  HEC  93          2HBA      HEC  93  -4.744   3.246   5.837
  498   1HMB  HEC  93          1HMB      HEC  93   1.399  -0.529  -0.620
  499   2HMB  HEC  93          2HMB      HEC  93   0.028   0.030  -1.604
  500   3HMB  HEC  93          3HMB      HEC  93   0.322   0.729  -0.034
  501    HAB  HEC  93           HAB      HEC  93  -0.312  -4.196  -1.865
  502   1HBB  HEC  93          1HBB      HEC  93   2.045  -3.918  -2.214
  503   2HBB  HEC  93          2HBB      HEC  93   2.095  -2.509  -1.151
  504   3HBB  HEC  93          3HBB      HEC  93   1.676  -4.094  -0.486
  505   1HMC  HEC  93          1HMC      HEC  93  -4.090  -6.360  -1.882
  506   2HMC  HEC  93          2HMC      HEC  93  -2.789  -7.217  -1.022
  507   3HMC  HEC  93          3HMC      HEC  93  -4.409  -7.888  -1.038
  508    HAC  HEC  93           HAC      HEC  93  -7.215  -7.069   1.542
  509   1HBC  HEC  93          1HBC      HEC  93  -5.674  -8.695   2.405
  510   2HBC  HEC  93          2HBC      HEC  93  -6.738  -9.428   1.196
  511   3HBC  HEC  93          3HBC      HEC  93  -5.052  -9.052   0.781
  512   1HMD  HEC  93          1HMD      HEC  93  -8.609  -4.435   6.273
  513   2HMD  HEC  93          2HMD      HEC  93  -8.925  -4.540   4.540
  514   3HMD  HEC  93          3HMD      HEC  93  -7.856  -5.723   5.326
  515   1HAD  HEC  93          1HAD      HEC  93  -8.196  -2.264   7.017
  516   2HAD  HEC  93          2HAD      HEC  93  -6.768  -1.324   7.391
  517   1HBD  HEC  93          1HBD      HEC  93  -5.670  -3.344   8.269
  518   2HBD  HEC  93          2HBD      HEC  93  -7.121  -4.290   7.978
  Start of MODEL   18
    1   1H    VAL  22          H1        VAL  22  12.007  -0.010 -10.439
    2   2H    VAL  22          H2        VAL  22  11.684   0.126  -8.842
    3   3H    VAL  22          H3        VAL  22  12.582  -1.168  -9.395
    4    HA   VAL  22           HA       VAL  22  10.568  -1.827 -10.674
    5    HB   VAL  22           HB       VAL  22  10.552  -1.704  -7.623
    6   1HG1  VAL  22          1HG1      VAL  22   8.246  -1.833  -8.158
    7   2HG1  VAL  22          2HG1      VAL  22   8.517  -3.035  -9.448
    8   3HG1  VAL  22          3HG1      VAL  22   8.765  -3.472  -7.749
    9   1HG2  VAL  22          1HG2      VAL  22  10.962  -4.186  -7.939
   10   2HG2  VAL  22          2HG2      VAL  22  11.133  -3.887  -9.676
   11   3HG2  VAL  22          3HG2      VAL  22  12.275  -3.156  -8.524
   12    H    ASP  23           H        ASP  23   8.447  -1.207 -11.301
   13    HA   ASP  23           HA       ASP  23   7.913   1.628 -10.941
   14   1HB   ASP  23          2HB       ASP  23   7.664   0.552 -13.123
   15   2HB   ASP  23          3HB       ASP  23   6.387  -0.490 -12.482
   16    H    ALA  24           H        ALA  24   6.967   2.305  -9.156
   17    HA   ALA  24           HA       ALA  24   5.707   0.806  -7.170
   18   1HB   ALA  24          1HB       ALA  24   5.260   3.731  -7.916
   19   2HB   ALA  24          2HB       ALA  24   4.905   2.971  -6.354
   20   3HB   ALA  24          3HB       ALA  24   6.587   3.116  -6.906
   21    H    GLU  25           H        GLU  25   4.256   2.441 -10.039
   22    HA   GLU  25           HA       GLU  25   1.555   2.175  -9.083
   23   1HB   GLU  25          2HB       GLU  25   2.282   2.535 -11.997
   24   2HB   GLU  25          3HB       GLU  25   0.893   3.122 -11.086
   25   1HG   GLU  25          2HG       GLU  25   2.856   4.444  -9.763
   26   2HG   GLU  25          3HG       GLU  25   3.687   4.220 -11.298
   27    H    ALA  26           H        ALA  26   3.646   0.457 -11.432
   28    HA   ALA  26           HA       ALA  26   1.857  -1.583 -12.195
   29   1HB   ALA  26          1HB       ALA  26   4.842  -1.938 -11.814
   30   2HB   ALA  26          2HB       ALA  26   3.770  -2.864 -12.872
   31   3HB   ALA  26          3HB       ALA  26   4.089  -1.153 -13.230
   32    H    VAL  27           H        VAL  27   4.176  -1.559  -9.419
   33    HA   VAL  27           HA       VAL  27   3.517  -4.158  -8.450
   34    HB   VAL  27           HB       VAL  27   4.389  -1.653  -6.939
   35   1HG1  VAL  27          1HG1      VAL  27   4.963  -3.138  -5.082
   36   2HG1  VAL  27          2HG1      VAL  27   3.236  -3.299  -5.379
   37   3HG1  VAL  27          3HG1      VAL  27   4.351  -4.537  -5.983
   38   1HG2  VAL  27          1HG2      VAL  27   6.558  -2.818  -6.875
   39   2HG2  VAL  27          2HG2      VAL  27   5.885  -4.160  -7.832
   40   3HG2  VAL  27          3HG2      VAL  27   6.046  -2.560  -8.555
   41    H    VAL  28           H        VAL  28   2.111  -0.963  -7.482
   42    HA   VAL  28           HA       VAL  28   0.198  -2.096  -5.735
   43    HB   VAL  28           HB       VAL  28   0.426   0.501  -7.263
   44   1HG1  VAL  28          1HG1      VAL  28  -2.010  -0.409  -5.742
   45   2HG1  VAL  28          2HG1      VAL  28  -1.564   1.290  -5.765
   46   3HG1  VAL  28          3HG1      VAL  28  -1.883   0.442  -7.282
   47   1HG2  VAL  28          1HG2      VAL  28   0.199   0.625  -4.354
   48   2HG2  VAL  28          2HG2      VAL  28   1.445  -0.535  -4.836
   49   3HG2  VAL  28          3HG2      VAL  28   1.541   1.106  -5.421
   50    H    GLN  29           H        GLN  29  -0.129  -1.294  -9.131
   51    HA   GLN  29           HA       GLN  29  -2.720  -2.169  -9.696
   52   1HB   GLN  29          2HB       GLN  29  -0.205  -2.101 -11.335
   53   2HB   GLN  29          3HB       GLN  29  -1.757  -2.600 -11.991
   54   1HG   GLN  29          2HG       GLN  29  -1.446   0.082 -10.554
   55   2HG   GLN  29          3HG       GLN  29  -1.010  -0.117 -12.251
   56   1HE2  GLN  29          1HE2      GLN  29  -3.659   0.392 -10.050
   57   2HE2  GLN  29          2HE2      GLN  29  -4.912   0.314 -11.260
   58    H    GLN  30           H        GLN  30   0.018  -4.171  -8.720
   59    HA   GLN  30           HA       GLN  30  -1.774  -6.456  -9.102
   60   1HB   GLN  30          2HB       GLN  30   0.058  -6.149 -10.991
   61   2HB   GLN  30          3HB       GLN  30   1.150  -6.846  -9.800
   62   1HG   GLN  30          2HG       GLN  30  -1.426  -8.001 -10.934
   63   2HG   GLN  30          3HG       GLN  30   0.235  -8.535 -11.269
   64   1HE2  GLN  30          1HE2      GLN  30  -2.420  -8.600  -8.887
   65   2HE2  GLN  30          2HE2      GLN  30  -1.725  -9.900  -7.936
   66    H    LYS  31           H        LYS  31  -1.396  -5.100  -6.735
   67    HA   LYS  31           HA       LYS  31  -0.850  -7.413  -5.121
   68   1HB   LYS  31          2HB       LYS  31   1.258  -5.273  -5.195
   69   2HB   LYS  31          3HB       LYS  31   0.821  -5.912  -3.626
   70   1HG   LYS  31          2HG       LYS  31   2.163  -7.651  -3.867
   71   2HG   LYS  31          3HG       LYS  31   1.224  -8.199  -5.250
   72   1HD   LYS  31          2HD       LYS  31   2.630  -6.383  -6.579
   73   2HD   LYS  31          3HD       LYS  31   3.727  -6.476  -5.193
   74   1HE   LYS  31          2HE       LYS  31   2.806  -8.937  -6.757
   75   2HE   LYS  31          3HE       LYS  31   4.177  -7.954  -7.272
   76   1HZ   LYS  31          1HZ       LYS  31   4.126  -9.084  -4.562
   77   2HZ   LYS  31          2HZ       LYS  31   4.776  -9.869  -5.873
   78   3HZ   LYS  31          3HZ       LYS  31   5.373  -8.427  -5.414
   79    H    CYS  32           H        CYS  32  -1.343  -3.848  -5.184
   80    HA   CYS  32           HA       CYS  32  -2.618  -4.073  -2.515
   81   1HB   CYS  32          2HB       CYS  32  -2.244  -1.524  -4.009
   82   2HB   CYS  32          3HB       CYS  32  -2.388  -1.790  -2.285
   83    H    ILE  33           H        ILE  33  -3.353  -2.961  -5.795
   84    HA   ILE  33           HA       ILE  33  -5.984  -2.179  -5.372
   85    HB   ILE  33           HB       ILE  33  -6.367  -2.652  -7.760
   86   1HG1  ILE  33          2HG1      ILE  33  -4.129  -3.428  -8.947
   87   2HG1  ILE  33          3HG1      ILE  33  -3.958  -4.432  -7.515
   88   1HG2  ILE  33          1HG2      ILE  33  -3.612  -1.452  -7.263
   89   2HG2  ILE  33          2HG2      ILE  33  -4.653  -1.169  -8.664
   90   3HG2  ILE  33          3HG2      ILE  33  -5.151  -0.625  -7.063
   91   1HD1  ILE  33          1HD1      ILE  33  -6.197  -4.270  -9.579
   92   2HD1  ILE  33          2HD1      ILE  33  -5.034  -5.586  -9.366
   93   3HD1  ILE  33          3HD1      ILE  33  -6.304  -5.325  -8.149
   94    H    SER  34           H        SER  34  -4.711  -5.457  -5.695
   95    HA   SER  34           HA       SER  34  -6.785  -7.117  -6.101
   96   1HB   SER  34          2HB       SER  34  -4.730  -7.277  -3.860
   97   2HB   SER  34          3HB       SER  34  -5.597  -8.650  -4.572
   98    HG   SER  34           HG       SER  34  -4.574  -8.182  -6.541
   99    H    CYS  35           H        CYS  35  -6.302  -5.171  -3.148
  100    HA   CYS  35           HA       CYS  35  -9.071  -5.949  -2.299
  101   1HB   CYS  35          2HB       CYS  35  -6.872  -5.063  -0.450
  102   2HB   CYS  35          3HB       CYS  35  -8.452  -5.751  -0.017
  103    H    HIS  36           HN       HIS  36  -6.582  -3.363  -2.406
  104    HA   HIS  36           HA       HIS  36  -8.332  -1.332  -1.355
  105   1HB   HIS  36          2HB       HIS  36  -5.613  -1.359  -2.710
  106   2HB   HIS  36          3HB       HIS  36  -6.408   0.119  -2.228
  107    HD1  HIS  36           HD1      HIS  36  -7.062   0.253   0.498
  108    HD2  HIS  36           HD2      HIS  36  -4.317  -2.673  -0.741
  109    HE1  HIS  36           1HE      HIS  36  -5.856  -0.511   2.592
  110    H    GLY  37           H        GLY  37  -8.313  -2.824  -4.407
  111   1HA   GLY  37          1HA       GLY  37  -9.831  -2.467  -6.083
  112   2HA   GLY  37          2HA       GLY  37 -10.210  -0.842  -5.475
  113    H    GLY  38           H        GLY  38  -9.427  -1.746  -8.216
  114   1HA   GLY  38          1HA       GLY  38  -6.946  -1.106  -9.216
  115   2HA   GLY  38          2HA       GLY  38  -8.468  -0.632  -9.960
  116    H    ASP  39           H        ASP  39  -9.342   1.097  -7.871
  117    HA   ASP  39           HA       ASP  39  -7.957   3.498  -8.804
  118   1HB   ASP  39          2HB       ASP  39 -10.636   2.983  -7.456
  119   2HB   ASP  39          3HB       ASP  39 -10.040   4.576  -7.933
  120    H    LEU  40           H        LEU  40  -7.803   1.535  -5.869
  121    HA   LEU  40           HA       LEU  40  -6.750   1.884  -4.014
  122   1HB   LEU  40          2HB       LEU  40  -5.996   4.740  -4.594
  123   2HB   LEU  40          3HB       LEU  40  -5.147   3.516  -3.666
  124    HG   LEU  40           HG       LEU  40  -5.286   3.843  -6.688
  125   1HD1  LEU  40          1HD1      LEU  40  -2.938   3.707  -4.770
  126   2HD1  LEU  40          2HD1      LEU  40  -2.914   4.110  -6.501
  127   3HD1  LEU  40          3HD1      LEU  40  -3.695   5.208  -5.354
  128   1HD2  LEU  40          1HD2      LEU  40  -4.185   1.454  -5.145
  129   2HD2  LEU  40          2HD2      LEU  40  -5.457   1.451  -6.386
  130   3HD2  LEU  40          3HD2      LEU  40  -3.809   1.846  -6.843
  131    H    THR  41           H        THR  41  -9.535   3.068  -4.771
  132    HA   THR  41           HA       THR  41 -10.084   5.169  -2.813
  133    HB   THR  41           HB       THR  41 -12.404   4.827  -3.906
  134    HG1  THR  41           1HG      THR  41 -12.148   2.747  -4.680
  135   1HG2  THR  41          1HG2      THR  41 -10.928   6.629  -4.659
  136   2HG2  THR  41          2HG2      THR  41 -10.033   5.510  -5.699
  137   3HG2  THR  41          3HG2      THR  41 -11.731   5.874  -6.050
  138    H    GLY  42           H        GLY  42  -9.738   1.825  -2.734
  139   1HA   GLY  42          1HA       GLY  42 -10.142   0.490  -0.932
  140   2HA   GLY  42          2HA       GLY  42 -11.477   1.512  -0.352
  141    H    ALA  43           H        ALA  43 -11.524  -1.239  -0.829
  142    HA   ALA  43           HA       ALA  43 -13.921  -1.508  -2.458
  143   1HB   ALA  43          1HB       ALA  43 -12.404  -1.723  -4.317
  144   2HB   ALA  43          2HB       ALA  43 -11.385  -2.888  -3.463
  145   3HB   ALA  43          3HB       ALA  43 -13.034  -3.335  -3.941
  146    H    SER  44           H        SER  44 -11.428  -3.923  -1.620
  147    HA   SER  44           HA       SER  44 -13.268  -5.166   0.386
  148   1HB   SER  44          2HB       SER  44 -10.748  -6.290  -0.873
  149   2HB   SER  44          3HB       SER  44 -11.862  -7.128   0.213
  150    HG   SER  44           HG       SER  44 -12.621  -6.008  -2.292
  151    H    ALA  45           H        ALA  45 -11.026  -2.788   0.290
  152    HA   ALA  45           HA       ALA  45 -10.051  -3.159   3.023
  153   1HB   ALA  45          1HB       ALA  45  -7.698  -2.697   2.177
  154   2HB   ALA  45          2HB       ALA  45  -8.356  -4.215   1.577
  155   3HB   ALA  45          3HB       ALA  45  -8.309  -2.784   0.530
  156    HA   PRO  46           HA       PRO  46 -10.980   1.137   2.973
  157   1HB   PRO  46          2HB       PRO  46  -9.130   2.351   4.614
  158   2HB   PRO  46          3HB       PRO  46 -10.370   1.210   5.205
  159   1HG   PRO  46          2HG       PRO  46  -7.481   0.632   4.542
  160   2HG   PRO  46          3HG       PRO  46  -8.399   0.146   5.993
  161   1HD   PRO  46          2HD       PRO  46  -8.006  -1.496   3.867
  162   2HD   PRO  46          3HD       PRO  46  -9.521  -1.573   4.806
  163    H    ALA  47           H        ALA  47 -10.271   3.364   2.335
  164    HA   ALA  47           HA       ALA  47  -8.831   3.169  -0.145
  165   1HB   ALA  47          1HB       ALA  47  -9.850   5.655   1.284
  166   2HB   ALA  47          2HB       ALA  47  -9.512   5.454  -0.452
  167   3HB   ALA  47          3HB       ALA  47 -10.854   4.568   0.317
  168    H    ILE  48           H        ILE  48  -6.654   3.198  -0.312
  169    HA   ILE  48           HA       ILE  48  -5.029   4.657   1.733
  170    HB   ILE  48           HB       ILE  48  -3.124   3.387   0.890
  171   1HG1  ILE  48          2HG1      ILE  48  -5.117   1.814  -0.800
  172   2HG1  ILE  48          3HG1      ILE  48  -3.945   2.987  -1.419
  173   1HG2  ILE  48          1HG2      ILE  48  -3.868   1.239   1.916
  174   2HG2  ILE  48          2HG2      ILE  48  -4.312   2.670   2.848
  175   3HG2  ILE  48          3HG2      ILE  48  -5.537   1.835   1.882
  176   1HD1  ILE  48          1HD1      ILE  48  -2.102   1.596  -0.366
  177   2HD1  ILE  48          2HD1      ILE  48  -3.323   0.347  -0.061
  178   3HD1  ILE  48          3HD1      ILE  48  -2.968   0.841  -1.720
  179    H    ASP  49           H        ASP  49  -6.403   5.286  -1.243
  180    HA   ASP  49           HA       ASP  49  -4.490   6.491  -2.734
  181   1HB   ASP  49          2HB       ASP  49  -7.033   6.318  -3.120
  182   2HB   ASP  49          3HB       ASP  49  -7.193   7.791  -2.152
  183    H    LYS  50           H        LYS  50  -5.744   7.696   0.343
  184    HA   LYS  50           HA       LYS  50  -3.809   9.952   0.282
  185   1HB   LYS  50          2HB       LYS  50  -5.315  11.139   1.818
  186   2HB   LYS  50          3HB       LYS  50  -6.002  10.927   0.214
  187   1HG   LYS  50          2HG       LYS  50  -7.674   9.551   0.913
  188   2HG   LYS  50          3HG       LYS  50  -6.723   8.805   2.209
  189   1HD   LYS  50          2HD       LYS  50  -6.969  10.579   3.687
  190   2HD   LYS  50          3HD       LYS  50  -7.505  11.724   2.456
  191   1HE   LYS  50          2HE       LYS  50  -9.188   9.255   3.006
  192   2HE   LYS  50          3HE       LYS  50  -9.224  10.586   4.168
  193   1HZ   LYS  50          1HZ       LYS  50  -9.814  10.896   1.299
  194   2HZ   LYS  50          2HZ       LYS  50 -10.936  10.797   2.501
  195   3HZ   LYS  50          3HZ       LYS  50  -9.899  12.068   2.450
  196    H    ALA  51           H        ALA  51  -3.177   7.257   0.976
  197    HA   ALA  51           HA       ALA  51  -2.907   7.091   3.853
  198   1HB   ALA  51          1HB       ALA  51  -2.574   5.133   2.445
  199   2HB   ALA  51          2HB       ALA  51  -1.215   5.912   1.606
  200   3HB   ALA  51          3HB       ALA  51  -1.091   5.502   3.336
  201    H    GLY  52           H        GLY  52  -0.701   8.200   1.212
  202   1HA   GLY  52          1HA       GLY  52   1.420   9.185   2.693
  203   2HA   GLY  52          2HA       GLY  52   0.883   9.813   1.131
  204    H    ALA  53           H        ALA  53  -1.740  10.641   2.164
  205    HA   ALA  53           HA       ALA  53  -1.122  13.332   2.805
  206   1HB   ALA  53          1HB       ALA  53  -3.488  13.604   3.232
  207   2HB   ALA  53          2HB       ALA  53  -3.303  12.503   1.849
  208   3HB   ALA  53          3HB       ALA  53  -3.697  11.862   3.459
  209    H    ASN  54           H        ASN  54  -1.642  10.496   4.845
  210    HA   ASN  54           HA       ASN  54  -1.505  12.174   7.329
  211   1HB   ASN  54          2HB       ASN  54  -2.698   9.400   6.895
  212   2HB   ASN  54          3HB       ASN  54  -2.608  10.285   8.423
  213   1HD2  ASN  54          1HD2      ASN  54  -4.260  10.121   5.240
  214   2HD2  ASN  54          2HD2      ASN  54  -5.512  11.257   5.722
  215    H    TYR  55           H        TYR  55  -0.563   8.987   5.992
  216    HA   TYR  55           HA       TYR  55   1.445   8.601   8.125
  217   1HB   TYR  55          2HB       TYR  55   0.612   6.787   5.849
  218   2HB   TYR  55          3HB       TYR  55   1.477   6.317   7.312
  219    HD1  TYR  55           HD1      TYR  55  -1.078   5.121   6.035
  220    HD2  TYR  55           HD2      TYR  55  -0.465   7.913   9.270
  221    HE1  TYR  55           HE1      TYR  55  -3.175   4.365   7.110
  222    HE2  TYR  55           HE2      TYR  55  -2.562   7.133  10.326
  223    HH   TYR  55           HH       TYR  55  -4.405   4.338   9.073
  224    H    SER  56           H        SER  56   3.675   8.136   7.575
  225    HA   SER  56           HA       SER  56   4.579   9.533   5.096
  226   1HB   SER  56          2HB       SER  56   6.076   8.703   7.616
  227   2HB   SER  56          3HB       SER  56   6.771   9.577   6.242
  228    HG   SER  56           HG       SER  56   4.497  10.489   7.681
  229    H    GLU  57           H        GLU  57   6.432   8.567   3.946
  230    HA   GLU  57           HA       GLU  57   6.013   6.154   2.790
  231   1HB   GLU  57          2HB       GLU  57   7.573   7.799   1.974
  232   2HB   GLU  57          3HB       GLU  57   8.679   7.522   3.323
  233   1HG   GLU  57          2HG       GLU  57   7.936   5.325   1.368
  234   2HG   GLU  57          3HG       GLU  57   9.233   6.484   1.040
  235    H    GLU  58           H        GLU  58   8.608   6.423   5.295
  236    HA   GLU  58           HA       GLU  58   9.072   3.869   5.973
  237   1HB   GLU  58          2HB       GLU  58   8.802   6.378   7.636
  238   2HB   GLU  58          3HB       GLU  58   9.113   4.853   8.456
  239   1HG   GLU  58          2HG       GLU  58  10.893   5.350   6.108
  240   2HG   GLU  58          3HG       GLU  58  11.078   6.472   7.461
  241    H    GLU  59           H        GLU  59   6.080   5.595   7.030
  242    HA   GLU  59           HA       GLU  59   5.350   3.522   8.939
  243   1HB   GLU  59          2HB       GLU  59   3.681   5.740   7.691
  244   2HB   GLU  59          3HB       GLU  59   3.306   4.830   9.159
  245   1HG   GLU  59          2HG       GLU  59   5.698   6.724   8.838
  246   2HG   GLU  59          3HG       GLU  59   4.155   7.137   9.596
  247    H    ILE  60           H        ILE  60   4.418   4.599   5.669
  248    HA   ILE  60           HA       ILE  60   2.340   2.673   5.282
  249    HB   ILE  60           HB       ILE  60   3.996   4.281   3.311
  250   1HG1  ILE  60          2HG1      ILE  60   1.213   4.554   4.544
  251   2HG1  ILE  60          3HG1      ILE  60   2.606   5.531   4.917
  252   1HG2  ILE  60          1HG2      ILE  60   1.512   2.574   2.822
  253   2HG2  ILE  60          2HG2      ILE  60   2.236   3.693   1.647
  254   3HG2  ILE  60          3HG2      ILE  60   3.135   2.281   2.171
  255   1HD1  ILE  60          1HD1      ILE  60   2.657   6.302   2.498
  256   2HD1  ILE  60          2HD1      ILE  60   1.085   5.475   2.301
  257   3HD1  ILE  60          3HD1      ILE  60   1.248   6.814   3.449
  258    H    LEU  61           H        LEU  61   5.814   2.714   4.529
  259    HA   LEU  61           HA       LEU  61   6.022   0.242   3.215
  260   1HB   LEU  61          2HB       LEU  61   7.822   1.921   3.243
  261   2HB   LEU  61          3HB       LEU  61   8.034   1.709   4.978
  262    HG   LEU  61           HG       LEU  61   8.808  -0.570   4.681
  263   1HD1  LEU  61          1HD1      LEU  61   9.213  -1.435   2.320
  264   2HD1  LEU  61          2HD1      LEU  61   7.514  -1.372   2.798
  265   3HD1  LEU  61          3HD1      LEU  61   8.173  -0.113   1.740
  266   1HD2  LEU  61          1HD2      LEU  61  10.436   1.279   4.461
  267   2HD2  LEU  61          2HD2      LEU  61  10.893  -0.121   3.471
  268   3HD2  LEU  61          3HD2      LEU  61  10.165   1.307   2.706
  269    H    ASP  62           H        ASP  62   6.469   1.046   6.727
  270    HA   ASP  62           HA       ASP  62   6.781  -1.541   7.691
  271   1HB   ASP  62          2HB       ASP  62   6.899   0.631   9.000
  272   2HB   ASP  62          3HB       ASP  62   5.126   0.621   9.041
  273    H    ILE  63           H        ILE  63   3.652   0.217   7.176
  274    HA   ILE  63           HA       ILE  63   2.075  -2.128   7.887
  275    HB   ILE  63           HB       ILE  63   1.339   0.237   6.094
  276   1HG1  ILE  63          2HG1      ILE  63   0.653  -0.207   9.019
  277   2HG1  ILE  63          3HG1      ILE  63   1.996   0.787   8.455
  278   1HG2  ILE  63          1HG2      ILE  63  -1.035  -0.416   6.666
  279   2HG2  ILE  63          2HG2      ILE  63  -0.213  -1.572   5.629
  280   3HG2  ILE  63          3HG2      ILE  63  -0.402  -1.909   7.365
  281   1HD1  ILE  63          1HD1      ILE  63   0.241   2.296   8.892
  282   2HD1  ILE  63          2HD1      ILE  63   0.357   2.182   7.128
  283   3HD1  ILE  63          3HD1      ILE  63  -0.944   1.338   8.007
  284    H    ILE  64           H        ILE  64   3.469  -1.251   4.709
  285    HA   ILE  64           HA       ILE  64   2.151  -3.450   3.369
  286    HB   ILE  64           HB       ILE  64   4.714  -1.949   2.777
  287   1HG1  ILE  64          2HG1      ILE  64   2.073  -1.889   1.284
  288   2HG1  ILE  64          3HG1      ILE  64   2.331  -0.847   2.676
  289   1HG2  ILE  64          1HG2      ILE  64   4.975  -4.100   1.735
  290   2HG2  ILE  64          2HG2      ILE  64   3.288  -4.112   1.186
  291   3HG2  ILE  64          3HG2      ILE  64   4.455  -2.977   0.475
  292   1HD1  ILE  64          1HD1      ILE  64   2.871   0.438   0.745
  293   2HD1  ILE  64          2HD1      ILE  64   4.374   0.103   1.600
  294   3HD1  ILE  64          3HD1      ILE  64   3.979  -0.796   0.122
  295    H    LEU  65           H        LEU  65   5.221  -3.182   5.153
  296    HA   LEU  65           HA       LEU  65   6.166  -5.766   4.472
  297   1HB   LEU  65          2HB       LEU  65   6.920  -3.831   6.684
  298   2HB   LEU  65          3HB       LEU  65   7.783  -5.340   6.404
  299    HG   LEU  65           HG       LEU  65   7.528  -3.127   4.328
  300   1HD1  LEU  65          1HD1      LEU  65   9.905  -2.683   4.882
  301   2HD1  LEU  65          2HD1      LEU  65   8.855  -2.422   6.289
  302   3HD1  LEU  65          3HD1      LEU  65   9.833  -3.900   6.171
  303   1HD2  LEU  65          1HD2      LEU  65   9.390  -4.335   3.214
  304   2HD2  LEU  65          2HD2      LEU  65   9.194  -5.665   4.374
  305   3HD2  LEU  65          3HD2      LEU  65   7.885  -5.252   3.231
  306    H    ASN  66           H        ASN  66   3.980  -4.849   7.248
  307    HA   ASN  66           HA       ASN  66   4.133  -7.648   8.180
  308   1HB   ASN  66          2HB       ASN  66   4.172  -6.624  10.455
  309   2HB   ASN  66          3HB       ASN  66   5.720  -6.661   9.613
  310   1HD2  ASN  66          1HD2      ASN  66   6.807  -4.675   9.355
  311   2HD2  ASN  66          2HD2      ASN  66   6.181  -3.188   9.981
  312    H    GLY  67           H        GLY  67   2.482  -6.223   6.640
  313   1HA   GLY  67          1HA       GLY  67   0.290  -5.301   6.301
  314   2HA   GLY  67          2HA       GLY  67  -0.165  -6.810   6.903
  315    H    GLN  68           H        GLN  68  -1.964  -6.178   8.320
  316    HA   GLN  68           HA       GLN  68  -1.797  -4.776  10.728
  317   1HB   GLN  68          2HB       GLN  68  -1.283  -2.685   9.567
  318   2HB   GLN  68          3HB       GLN  68  -2.559  -2.961   8.381
  319   1HG   GLN  68          2HG       GLN  68  -4.196  -2.728  10.376
  320   2HG   GLN  68          3HG       GLN  68  -2.797  -2.240  11.332
  321   1HE2  GLN  68          1HE2      GLN  68  -5.407  -0.977   9.834
  322   2HE2  GLN  68          2HE2      GLN  68  -4.754   0.562   9.284
  323    H    GLY  69           H        GLY  69  -3.915  -5.086  11.805
  324   1HA   GLY  69          1HA       GLY  69  -5.649  -6.553  12.022
  325   2HA   GLY  69          2HA       GLY  69  -6.379  -5.193  11.195
  326    H    GLY  70           H        GLY  70  -7.350  -5.605   9.200
  327   1HA   GLY  70          1HA       GLY  70  -7.848  -8.317   8.412
  328   2HA   GLY  70          2HA       GLY  70  -8.262  -6.865   7.496
  329    H    MET  71           H        MET  71  -5.341  -6.087   7.456
  330    HA   MET  71           HA       MET  71  -4.736  -7.236   4.894
  331   1HB   MET  71          1HB       MET  71  -4.428  -4.837   5.676
  332   2HB   MET  71          2HB       MET  71  -3.051  -5.367   6.603
  333   1HG   MET  71          1HG       MET  71  -1.836  -6.048   4.746
  334   2HG   MET  71          2HG       MET  71  -3.177  -5.867   3.626
  335   1HE   MET  71          1HE       MET  71   0.022  -4.639   4.115
  336   2HE   MET  71          2HE       MET  71  -0.833  -4.778   2.571
  337   3HE   MET  71          3HE       MET  71  -0.172  -3.201   3.091
  338    HA   PRO  72           HA       PRO  72  -2.661 -10.694   6.786
  339   1HB   PRO  72          2HB       PRO  72  -1.157 -11.589   4.566
  340   2HB   PRO  72          3HB       PRO  72  -2.879 -11.967   4.905
  341   1HG   PRO  72          2HG       PRO  72  -1.692  -9.939   3.054
  342   2HG   PRO  72          3HG       PRO  72  -3.168 -10.905   2.826
  343   1HD   PRO  72          2HD       PRO  72  -3.192  -8.273   3.572
  344   2HD   PRO  72          3HD       PRO  72  -4.441  -9.415   4.147
  345    H    GLY  73           H        GLY  73  -0.467  -9.004   4.531
  346   1HA   GLY  73          1HA       GLY  73   1.184  -7.558   5.369
  347   2HA   GLY  73          2HA       GLY  73   1.540  -8.669   6.733
  348    H    GLY  74           H        GLY  74   3.225  -7.330   4.703
  349   1HA   GLY  74          1HA       GLY  74   5.128  -7.876   3.536
  350   2HA   GLY  74          2HA       GLY  74   4.913  -9.585   3.974
  351    H    ILE  75           H        ILE  75   2.311  -7.754   2.505
  352    HA   ILE  75           HA       ILE  75   1.841  -9.481   0.368
  353    HB   ILE  75           HB       ILE  75   1.016  -6.742   1.279
  354   1HG1  ILE  75          2HG1      ILE  75  -0.176  -8.658   1.984
  355   2HG1  ILE  75          3HG1      ILE  75  -1.169  -7.521   1.075
  356   1HG2  ILE  75          1HG2      ILE  75  -0.287  -6.440  -0.932
  357   2HG2  ILE  75          2HG2      ILE  75   1.439  -6.214  -1.150
  358   3HG2  ILE  75          3HG2      ILE  75   0.676  -7.718  -1.656
  359   1HD1  ILE  75          1HD1      ILE  75  -0.204 -10.250   0.123
  360   2HD1  ILE  75          2HD1      ILE  75  -1.854  -9.715   0.446
  361   3HD1  ILE  75          3HD1      ILE  75  -0.985  -9.063  -0.943
  362    H    ALA  76           H        ALA  76   3.610  -6.360   0.271
  363    HA   ALA  76           HA       ALA  76   5.350  -7.520  -1.847
  364   1HB   ALA  76          1HB       ALA  76   4.775  -4.588  -1.213
  365   2HB   ALA  76          2HB       ALA  76   5.934  -5.176  -2.417
  366   3HB   ALA  76          3HB       ALA  76   4.199  -5.472  -2.644
  367    H    LYS  77           H        LYS  77   7.667  -6.970  -1.543
  368    HA   LYS  77           HA       LYS  77   8.503  -5.970   1.076
  369   1HB   LYS  77          2HB       LYS  77   8.858  -8.860   0.222
  370   2HB   LYS  77          3HB       LYS  77  10.147  -8.053   1.124
  371   1HG   LYS  77          2HG       LYS  77   8.604  -7.449   2.906
  372   2HG   LYS  77          3HG       LYS  77   7.270  -8.289   2.090
  373   1HD   LYS  77          2HD       LYS  77   8.043 -10.380   2.672
  374   2HD   LYS  77          3HD       LYS  77   9.731  -9.913   2.506
  375   1HE   LYS  77          2HE       LYS  77   9.302 -10.433   4.824
  376   2HE   LYS  77          3HE       LYS  77   9.719  -8.728   4.650
  377   1HZ   LYS  77          1HZ       LYS  77   6.985  -9.801   5.014
  378   2HZ   LYS  77          2HZ       LYS  77   7.881  -9.055   6.159
  379   3HZ   LYS  77          3HZ       LYS  77   7.339  -8.204   4.888
  380    H    GLY  78           H        GLY  78  10.773  -5.429   1.142
  381   1HA   GLY  78          1HA       GLY  78  12.717  -4.614   0.275
  382   2HA   GLY  78          2HA       GLY  78  12.512  -5.709  -1.101
  383    H    ALA  79           H        ALA  79  13.324  -4.002  -2.456
  384    HA   ALA  79           HA       ALA  79  12.531  -1.463  -2.865
  385   1HB   ALA  79          1HB       ALA  79  13.026  -3.487  -5.072
  386   2HB   ALA  79          2HB       ALA  79  13.121  -1.718  -5.216
  387   3HB   ALA  79          3HB       ALA  79  14.264  -2.578  -4.170
  388    H    GLU  80           H        GLU  80  10.711  -4.317  -3.867
  389    HA   GLU  80           HA       GLU  80   8.691  -3.194  -5.453
  390   1HB   GLU  80          2HB       GLU  80   9.240  -5.669  -4.933
  391   2HB   GLU  80          3HB       GLU  80   8.322  -5.450  -3.433
  392   1HG   GLU  80          2HG       GLU  80   6.363  -4.774  -4.774
  393   2HG   GLU  80          3HG       GLU  80   7.287  -5.100  -6.258
  394    H    ALA  81           H        ALA  81   8.871  -3.580  -1.903
  395    HA   ALA  81           HA       ALA  81   6.275  -2.326  -1.413
  396   1HB   ALA  81          1HB       ALA  81   8.535  -3.061   0.499
  397   2HB   ALA  81          2HB       ALA  81   6.887  -2.568   0.939
  398   3HB   ALA  81          3HB       ALA  81   7.151  -4.084   0.070
  399    H    GLU  82           H        GLU  82   9.735  -1.453  -1.009
  400    HA   GLU  82           HA       GLU  82   9.446   1.053   0.212
  401   1HB   GLU  82          2HB       GLU  82  11.498   0.129  -1.817
  402   2HB   GLU  82          3HB       GLU  82  11.704   1.516  -0.760
  403   1HG   GLU  82          2HG       GLU  82  11.973   0.231   1.162
  404   2HG   GLU  82          3HG       GLU  82  11.125  -1.173   0.523
  405    H    ALA  83           H        ALA  83   9.629   0.336  -3.305
  406    HA   ALA  83           HA       ALA  83   9.386   2.981  -4.260
  407   1HB   ALA  83          1HB       ALA  83  10.019   1.062  -5.667
  408   2HB   ALA  83          2HB       ALA  83   8.390   0.373  -5.500
  409   3HB   ALA  83          3HB       ALA  83   8.626   1.910  -6.361
  410    H    VAL  84           H        VAL  84   6.847   0.541  -3.558
  411    HA   VAL  84           HA       VAL  84   4.624   2.164  -4.288
  412    HB   VAL  84           HB       VAL  84   4.891  -0.213  -2.413
  413   1HG1  VAL  84          1HG1      VAL  84   2.965   0.981  -1.602
  414   2HG1  VAL  84          2HG1      VAL  84   2.433   1.378  -3.244
  415   3HG1  VAL  84          3HG1      VAL  84   2.376  -0.303  -2.674
  416   1HG2  VAL  84          1HG2      VAL  84   3.755  -1.339  -4.266
  417   2HG2  VAL  84          2HG2      VAL  84   3.719   0.170  -5.200
  418   3HG2  VAL  84          3HG2      VAL  84   5.265  -0.605  -4.848
  419    H    ALA  85           H        ALA  85   6.040   1.589  -1.043
  420    HA   ALA  85           HA       ALA  85   4.474   3.339   0.442
  421   1HB   ALA  85          1HB       ALA  85   6.181   1.877   1.433
  422   2HB   ALA  85          2HB       ALA  85   7.476   2.888   0.755
  423   3HB   ALA  85          3HB       ALA  85   6.385   3.565   1.965
  424    H    ALA  86           H        ALA  86   7.516   4.186  -1.289
  425    HA   ALA  86           HA       ALA  86   7.467   6.945  -0.598
  426   1HB   ALA  86          1HB       ALA  86   8.673   5.607  -3.060
  427   2HB   ALA  86          2HB       ALA  86   9.065   7.229  -2.448
  428   3HB   ALA  86          3HB       ALA  86   9.457   5.794  -1.477
  429    H    TRP  87           H        TRP  87   6.303   5.303  -3.566
  430    HA   TRP  87           HA       TRP  87   5.263   7.580  -4.884
  431   1HB   TRP  87          2HB       TRP  87   5.633   5.426  -5.918
  432   2HB   TRP  87          3HB       TRP  87   4.448   4.668  -4.855
  433    HD1  TRP  87           HD1      TRP  87   4.452   7.401  -7.598
  434    HE1  TRP  87           HE1      TRP  87   2.396   6.974  -9.134
  435    HE3  TRP  87           HE3      TRP  87   2.336   3.443  -5.146
  436    HZ2  TRP  87           HZ2      TRP  87  -0.001   5.438  -9.062
  437    HZ3  TRP  87           HZ3      TRP  87   0.049   2.718  -5.749
  438    HH2  TRP  87           HH2      TRP  87  -1.074   3.588  -7.737
  439    H    LEU  88           H        LEU  88   3.760   5.403  -2.494
  440    HA   LEU  88           HA       LEU  88   1.185   6.678  -2.463
  441   1HB   LEU  88          2HB       LEU  88   2.606   4.770  -0.590
  442   2HB   LEU  88          3HB       LEU  88   1.110   5.542  -0.123
  443    HG   LEU  88           HG       LEU  88   1.335   3.148  -1.490
  444   1HD1  LEU  88          1HD1      LEU  88  -1.072   5.009  -1.206
  445   2HD1  LEU  88          2HD1      LEU  88  -1.154   3.305  -1.677
  446   3HD1  LEU  88          3HD1      LEU  88  -0.574   3.746  -0.047
  447   1HD2  LEU  88          1HD2      LEU  88   1.659   4.526  -3.537
  448   2HD2  LEU  88          2HD2      LEU  88   0.341   3.330  -3.567
  449   3HD2  LEU  88          3HD2      LEU  88  -0.026   5.062  -3.403
  450    H    ALA  89           H        ALA  89   4.169   7.253  -0.569
  451    HA   ALA  89           HA       ALA  89   3.137   9.187   1.209
  452   1HB   ALA  89          1HB       ALA  89   5.844   9.426  -0.131
  453   2HB   ALA  89          2HB       ALA  89   5.338   9.979   1.466
  454   3HB   ALA  89          3HB       ALA  89   5.480   8.238   1.143
  455    H    GLU  90           H        GLU  90   4.238   9.441  -2.165
  456    HA   GLU  90           HA       GLU  90   3.358  12.232  -2.445
  457   1HB   GLU  90          2HB       GLU  90   4.572  10.203  -4.349
  458   2HB   GLU  90          3HB       GLU  90   4.215  11.875  -4.788
  459   1HG   GLU  90          2HG       GLU  90   5.811  12.762  -3.267
  460   2HG   GLU  90          3HG       GLU  90   5.980  11.237  -2.386
  461    H    LYS  91           H        LYS  91   1.317   9.888  -1.909
  462    HA   LYS  91           HA       LYS  91  -0.542  10.850  -4.029
  463   1HB   LYS  91          2HB       LYS  91  -0.518   8.135  -2.672
  464   2HB   LYS  91          3HB       LYS  91  -1.885   8.807  -3.516
  465   1HG   LYS  91          2HG       LYS  91   0.134   9.183  -5.413
  466   2HG   LYS  91          3HG       LYS  91   0.643   7.718  -4.601
  467   1HD   LYS  91          2HD       LYS  91  -0.646   6.935  -6.351
  468   2HD   LYS  91          3HD       LYS  91  -1.754   6.811  -4.989
  469   1HE   LYS  91          2HE       LYS  91  -1.673   9.079  -7.071
  470   2HE   LYS  91          3HE       LYS  91  -2.761   7.688  -7.122
  471   1HZ   LYS  91          1HZ       LYS  91  -3.918   9.549  -6.216
  472   2HZ   LYS  91          2HZ       LYS  91  -3.781   8.421  -5.089
  473   3HZ   LYS  91          3HZ       LYS  91  -2.843   9.762  -5.003
  474    H    LYS  92           H        LYS  92  -2.486  11.572  -3.417
  475    HA   LYS  92           HA       LYS  92  -3.354  11.835  -0.698
  476   1HB   LYS  92          2HB       LYS  92  -2.606  14.147  -2.543
  477   2HB   LYS  92          3HB       LYS  92  -3.685  14.317  -1.150
  478   1HG   LYS  92          2HG       LYS  92  -1.968  13.855   0.407
  479   2HG   LYS  92          3HG       LYS  92  -0.859  13.229  -0.820
  480   1HD   LYS  92          2HD       LYS  92  -0.651  15.380  -1.895
  481   2HD   LYS  92          3HD       LYS  92  -1.788  16.130  -0.771
  482   1HE   LYS  92          2HE       LYS  92   0.902  14.847  -0.015
  483   2HE   LYS  92          3HE       LYS  92   0.645  16.579  -0.268
  484   1HZ   LYS  92          1HZ       LYS  92   0.554  16.070   2.039
  485   2HZ   LYS  92          2HZ       LYS  92  -0.955  16.521   1.555
  486   3HZ   LYS  92          3HZ       LYS  92  -0.605  14.934   1.820
  487    HHA  HEC  93           HHA      HEC  93  -4.958  -0.600   6.357
  488    HHB  HEC  93           HHB      HEC  93  -0.507   0.630   1.925
  489    HHC  HEC  93           HHC      HEC  93  -1.867  -5.081  -0.822
  490    HHD  HEC  93           HHD      HEC  93  -6.904  -5.753   3.075
  491   1HMA  HEC  93          1HMA      HEC  93  -1.459   2.999   4.743
  492   2HMA  HEC  93          2HMA      HEC  93  -0.082   1.896   4.566
  493   3HMA  HEC  93          3HMA      HEC  93  -0.913   2.559   3.136
  494   1HAA  HEC  93          1HAA      HEC  93  -2.549   2.280   6.533
  495   2HAA  HEC  93          2HAA      HEC  93  -3.299   0.852   7.187
  496   1HBA  HEC  93          1HBA      HEC  93  -5.298   1.628   5.483
  497   2HBA  HEC  93          2HBA      HEC  93  -4.591   3.196   5.830
  498   1HMB  HEC  93          1HMB      HEC  93  -0.003   0.045  -1.528
  499   2HMB  HEC  93          2HMB      HEC  93   0.479   0.626   0.050
  500   3HMB  HEC  93          3HMB      HEC  93   1.430  -0.628  -0.719
  501    HAB  HEC  93           HAB      HEC  93  -0.277  -4.225  -1.892
  502   1HBB  HEC  93          1HBB      HEC  93   1.747  -4.081  -0.491
  503   2HBB  HEC  93          2HBB      HEC  93   2.054  -4.030  -2.240
  504   3HBB  HEC  93          3HBB      HEC  93   2.171  -2.555  -1.282
  505   1HMC  HEC  93          1HMC      HEC  93  -2.603  -7.229  -1.013
  506   2HMC  HEC  93          2HMC      HEC  93  -4.154  -8.052  -0.937
  507   3HMC  HEC  93          3HMC      HEC  93  -4.021  -6.531  -1.833
  508    HAC  HEC  93           HAC      HEC  93  -7.041  -7.252   1.598
  509   1HBC  HEC  93          1HBC      HEC  93  -5.234  -9.351   0.423
  510   2HBC  HEC  93          2HBC      HEC  93  -5.058  -8.831   2.103
  511   3HBC  HEC  93          3HBC      HEC  93  -6.598  -9.496   1.536
  512   1HMD  HEC  93          1HMD      HEC  93  -8.916  -4.559   4.639
  513   2HMD  HEC  93          2HMD      HEC  93  -7.777  -5.789   5.222
  514   3HMD  HEC  93          3HMD      HEC  93  -8.413  -4.586   6.340
  515   1HAD  HEC  93          1HAD      HEC  93  -8.074  -2.531   7.116
  516   2HAD  HEC  93          2HAD      HEC  93  -6.855  -1.279   7.245
  517   1HBD  HEC  93          1HBD      HEC  93  -5.248  -2.807   8.194
  518   2HBD  HEC  93          2HBD      HEC  93  -6.267  -4.194   7.792
  Start of MODEL   19
    1   1H    VAL  22          H1        VAL  22  11.894  -0.218 -10.630
    2   2H    VAL  22          H2        VAL  22  11.738  -0.077  -9.005
    3   3H    VAL  22          H3        VAL  22  12.556  -1.383  -9.646
    4    HA   VAL  22           HA       VAL  22  10.453  -2.058 -10.700
    5    HB   VAL  22           HB       VAL  22  10.715  -1.843  -7.679
    6   1HG1  VAL  22          1HG1      VAL  22   8.796  -3.522  -7.615
    7   2HG1  VAL  22          2HG1      VAL  22   8.352  -1.827  -7.871
    8   3HG1  VAL  22          3HG1      VAL  22   8.364  -2.976  -9.237
    9   1HG2  VAL  22          1HG2      VAL  22  10.641  -4.250  -9.551
   10   2HG2  VAL  22          2HG2      VAL  22  12.140  -3.487  -8.971
   11   3HG2  VAL  22          3HG2      VAL  22  11.026  -4.249  -7.821
   12    H    ASP  23           H        ASP  23   8.483  -1.329 -11.408
   13    HA   ASP  23           HA       ASP  23   7.822   1.435 -11.017
   14   1HB   ASP  23          2HB       ASP  23   6.608  -0.891 -12.533
   15   2HB   ASP  23          3HB       ASP  23   5.789   0.675 -12.411
   16    H    ALA  24           H        ALA  24   7.163   1.974  -9.032
   17    HA   ALA  24           HA       ALA  24   5.776   0.697  -7.062
   18   1HB   ALA  24          1HB       ALA  24   4.920   2.908  -6.426
   19   2HB   ALA  24          2HB       ALA  24   6.602   3.052  -6.972
   20   3HB   ALA  24          3HB       ALA  24   5.279   3.557  -8.034
   21    H    GLU  25           H        GLU  25   4.235   2.525  -9.747
   22    HA   GLU  25           HA       GLU  25   1.603   1.922  -9.066
   23   1HB   GLU  25          2HB       GLU  25   2.342   2.305 -11.966
   24   2HB   GLU  25          3HB       GLU  25   0.975   2.905 -11.038
   25   1HG   GLU  25          2HG       GLU  25   2.869   4.255  -9.725
   26   2HG   GLU  25          3HG       GLU  25   3.803   3.972 -11.198
   27    H    ALA  26           H        ALA  26   3.856   0.123 -11.218
   28    HA   ALA  26           HA       ALA  26   1.981  -1.796 -12.179
   29   1HB   ALA  26          1HB       ALA  26   4.236  -1.396 -13.176
   30   2HB   ALA  26          2HB       ALA  26   4.961  -2.196 -11.755
   31   3HB   ALA  26          3HB       ALA  26   3.898  -3.105 -12.834
   32    H    VAL  27           H        VAL  27   4.189  -1.788  -9.346
   33    HA   VAL  27           HA       VAL  27   3.489  -4.418  -8.400
   34    HB   VAL  27           HB       VAL  27   4.358  -1.888  -6.906
   35   1HG1  VAL  27          1HG1      VAL  27   4.245  -4.749  -5.945
   36   2HG1  VAL  27          2HG1      VAL  27   4.902  -3.387  -5.020
   37   3HG1  VAL  27          3HG1      VAL  27   3.174  -3.476  -5.349
   38   1HG2  VAL  27          1HG2      VAL  27   6.537  -3.000  -6.819
   39   2HG2  VAL  27          2HG2      VAL  27   5.901  -4.358  -7.781
   40   3HG2  VAL  27          3HG2      VAL  27   6.033  -2.745  -8.498
   41    H    VAL  28           H        VAL  28   2.158  -1.182  -7.456
   42    HA   VAL  28           HA       VAL  28   0.231  -2.274  -5.725
   43    HB   VAL  28           HB       VAL  28   0.196   0.274  -7.376
   44   1HG1  VAL  28          1HG1      VAL  28  -1.396   0.297  -4.884
   45   2HG1  VAL  28          2HG1      VAL  28  -1.729   0.974  -6.502
   46   3HG1  VAL  28          3HG1      VAL  28  -2.085  -0.699  -6.137
   47   1HG2  VAL  28          1HG2      VAL  28   1.528  -0.599  -4.898
   48   2HG2  VAL  28          2HG2      VAL  28   1.839   0.815  -5.924
   49   3HG2  VAL  28          3HG2      VAL  28   0.630   0.890  -4.651
   50    H    GLN  29           H        GLN  29  -0.062  -1.508  -9.142
   51    HA   GLN  29           HA       GLN  29  -2.643  -2.272  -9.751
   52   1HB   GLN  29          2HB       GLN  29  -0.074  -2.424 -11.294
   53   2HB   GLN  29          3HB       GLN  29  -1.597  -2.956 -11.990
   54   1HG   GLN  29          2HG       GLN  29  -1.325  -0.179 -10.742
   55   2HG   GLN  29          3HG       GLN  29  -0.814  -0.510 -12.397
   56   1HE2  GLN  29          1HE2      GLN  29  -3.594  -0.019 -10.289
   57   2HE2  GLN  29          2HE2      GLN  29  -4.780  -0.135 -11.568
   58    H    GLN  30           H        GLN  30   0.035  -4.432  -8.810
   59    HA   GLN  30           HA       GLN  30  -1.949  -6.591  -8.867
   60   1HB   GLN  30          2HB       GLN  30  -0.608  -6.646 -11.029
   61   2HB   GLN  30          3HB       GLN  30   0.812  -7.059 -10.048
   62   1HG   GLN  30          2HG       GLN  30  -0.439  -9.038  -9.162
   63   2HG   GLN  30          3HG       GLN  30  -1.849  -8.572 -10.124
   64   1HE2  GLN  30          1HE2      GLN  30   0.533 -10.801 -10.051
   65   2HE2  GLN  30          2HE2      GLN  30   0.754 -11.038 -11.777
   66    H    LYS  31           H        LYS  31  -1.324  -5.251  -6.696
   67    HA   LYS  31           HA       LYS  31  -0.748  -7.485  -5.010
   68   1HB   LYS  31          2HB       LYS  31   1.411  -5.346  -5.088
   69   2HB   LYS  31          3HB       LYS  31   0.966  -6.072  -3.566
   70   1HG   LYS  31          2HG       LYS  31   2.327  -7.768  -3.901
   71   2HG   LYS  31          3HG       LYS  31   1.276  -8.315  -5.203
   72   1HD   LYS  31          2HD       LYS  31   2.638  -6.530  -6.635
   73   2HD   LYS  31          3HD       LYS  31   3.825  -6.698  -5.322
   74   1HE   LYS  31          2HE       LYS  31   2.735  -9.145  -6.758
   75   2HE   LYS  31          3HE       LYS  31   4.003  -8.161  -7.494
   76   1HZ   LYS  31          1HZ       LYS  31   4.383  -9.158  -4.767
   77   2HZ   LYS  31          2HZ       LYS  31   4.811 -10.040  -6.111
   78   3HZ   LYS  31          3HZ       LYS  31   5.464  -8.573  -5.831
   79    H    CYS  32           H        CYS  32  -1.401  -3.956  -5.235
   80    HA   CYS  32           HA       CYS  32  -2.621  -4.118  -2.532
   81   1HB   CYS  32          2HB       CYS  32  -2.188  -1.632  -4.112
   82   2HB   CYS  32          3HB       CYS  32  -2.363  -1.816  -2.374
   83    H    ILE  33           H        ILE  33  -3.362  -2.980  -5.826
   84    HA   ILE  33           HA       ILE  33  -5.984  -2.145  -5.282
   85    HB   ILE  33           HB       ILE  33  -6.442  -2.318  -7.619
   86   1HG1  ILE  33          2HG1      ILE  33  -4.314  -3.156  -9.004
   87   2HG1  ILE  33          3HG1      ILE  33  -4.199  -4.301  -7.668
   88   1HG2  ILE  33          1HG2      ILE  33  -4.812  -0.813  -8.446
   89   2HG2  ILE  33          2HG2      ILE  33  -4.869  -0.519  -6.695
   90   3HG2  ILE  33          3HG2      ILE  33  -3.558  -1.477  -7.420
   91   1HD1  ILE  33          1HD1      ILE  33  -6.401  -3.769  -9.692
   92   2HD1  ILE  33          2HD1      ILE  33  -5.486  -5.267  -9.443
   93   3HD1  ILE  33          3HD1      ILE  33  -6.723  -4.774  -8.261
   94    H    SER  34           H        SER  34  -4.778  -5.424  -5.775
   95    HA   SER  34           HA       SER  34  -6.863  -7.041  -6.220
   96   1HB   SER  34          2HB       SER  34  -4.936  -7.283  -3.872
   97   2HB   SER  34          3HB       SER  34  -5.715  -8.614  -4.748
   98    HG   SER  34           HG       SER  34  -4.546  -7.946  -6.606
   99    H    CYS  35           H        CYS  35  -6.351  -5.231  -3.170
  100    HA   CYS  35           HA       CYS  35  -9.148  -5.954  -2.331
  101   1HB   CYS  35          2HB       CYS  35  -6.922  -5.012  -0.551
  102   2HB   CYS  35          3HB       CYS  35  -8.483  -5.710  -0.079
  103    H    HIS  36           HN       HIS  36  -6.709  -3.355  -2.672
  104    HA   HIS  36           HA       HIS  36  -8.473  -1.317  -1.614
  105   1HB   HIS  36          2HB       HIS  36  -5.692  -1.290  -2.835
  106   2HB   HIS  36          3HB       HIS  36  -6.530   0.154  -2.278
  107    HD1  HIS  36           HD1      HIS  36  -7.347   0.106   0.389
  108    HD2  HIS  36           HD2      HIS  36  -4.314  -2.525  -0.876
  109    HE1  HIS  36           1HE      HIS  36  -6.112  -0.604   2.475
  110    H    GLY  37           H        GLY  37  -8.585  -2.821  -4.580
  111   1HA   GLY  37          1HA       GLY  37 -10.536  -2.385  -5.790
  112   2HA   GLY  37          2HA       GLY  37 -10.361  -0.642  -5.558
  113    H    GLY  38           H        GLY  38  -8.501   0.363  -6.632
  114   1HA   GLY  38          1HA       GLY  38  -7.189  -0.787  -8.966
  115   2HA   GLY  38          2HA       GLY  38  -8.683   0.051  -9.390
  116    H    ASP  39           H        ASP  39  -8.897   2.110  -7.801
  117    HA   ASP  39           HA       ASP  39  -6.573   3.838  -8.434
  118   1HB   ASP  39          2HB       ASP  39  -9.532   4.332  -8.029
  119   2HB   ASP  39          3HB       ASP  39  -8.352   5.637  -7.843
  120    H    LEU  40           H        LEU  40  -7.370   1.925  -5.748
  121    HA   LEU  40           HA       LEU  40  -6.532   1.978  -3.729
  122   1HB   LEU  40          2HB       LEU  40  -5.536   4.812  -4.059
  123   2HB   LEU  40          3HB       LEU  40  -5.014   3.632  -2.916
  124    HG   LEU  40           HG       LEU  40  -4.581   2.899  -5.824
  125   1HD1  LEU  40          1HD1      LEU  40  -2.614   4.297  -5.979
  126   2HD1  LEU  40          2HD1      LEU  40  -4.065   5.292  -5.790
  127   3HD1  LEU  40          3HD1      LEU  40  -2.977   5.035  -4.399
  128   1HD2  LEU  40          1HD2      LEU  40  -3.749   1.357  -4.166
  129   2HD2  LEU  40          2HD2      LEU  40  -2.374   2.265  -4.853
  130   3HD2  LEU  40          3HD2      LEU  40  -2.968   2.681  -3.262
  131    H    THR  41           H        THR  41  -9.096   3.195  -4.802
  132    HA   THR  41           HA       THR  41 -10.017   5.277  -3.012
  133    HB   THR  41           HB       THR  41 -12.157   4.561  -4.366
  134    HG1  THR  41           1HG      THR  41 -11.715   3.259  -6.115
  135   1HG2  THR  41          1HG2      THR  41 -10.845   6.584  -4.924
  136   2HG2  THR  41          2HG2      THR  41  -9.678   5.599  -5.824
  137   3HG2  THR  41          3HG2      THR  41 -11.350   5.746  -6.405
  138    H    GLY  42           H        GLY  42  -9.746   1.832  -3.082
  139   1HA   GLY  42          1HA       GLY  42 -10.041   0.522  -1.134
  140   2HA   GLY  42          2HA       GLY  42 -11.345   1.585  -0.569
  141    H    ALA  43           H        ALA  43 -11.548  -1.176  -0.913
  142    HA   ALA  43           HA       ALA  43 -13.940  -1.333  -2.561
  143   1HB   ALA  43          1HB       ALA  43 -11.513  -2.937  -3.492
  144   2HB   ALA  43          2HB       ALA  43 -13.188  -3.246  -3.988
  145   3HB   ALA  43          3HB       ALA  43 -12.417  -1.705  -4.390
  146    H    SER  44           H        SER  44 -11.596  -3.867  -1.581
  147    HA   SER  44           HA       SER  44 -13.678  -5.014   0.239
  148   1HB   SER  44          2HB       SER  44 -12.596  -6.524  -1.446
  149   2HB   SER  44          3HB       SER  44 -11.038  -6.234  -0.636
  150    HG   SER  44           HG       SER  44 -12.202  -6.917   1.331
  151    H    ALA  45           H        ALA  45 -11.517  -2.613   0.449
  152    HA   ALA  45           HA       ALA  45 -10.594  -3.074   3.160
  153   1HB   ALA  45          1HB       ALA  45  -8.247  -3.084   2.495
  154   2HB   ALA  45          2HB       ALA  45  -9.044  -4.333   1.564
  155   3HB   ALA  45          3HB       ALA  45  -8.649  -2.771   0.806
  156    HA   PRO  46           HA       PRO  46 -11.077   1.239   3.125
  157   1HB   PRO  46          2HB       PRO  46  -8.969   2.328   4.579
  158   2HB   PRO  46          3HB       PRO  46 -10.322   1.403   5.284
  159   1HG   PRO  46          2HG       PRO  46  -7.541   0.471   4.661
  160   2HG   PRO  46          3HG       PRO  46  -8.581   0.063   6.051
  161   1HD   PRO  46          2HD       PRO  46  -8.199  -1.493   3.814
  162   2HD   PRO  46          3HD       PRO  46  -9.662  -1.628   4.838
  163    H    ALA  47           H        ALA  47 -10.287   3.398   2.433
  164    HA   ALA  47           HA       ALA  47  -8.947   3.149  -0.119
  165   1HB   ALA  47          1HB       ALA  47 -10.922   4.616   0.393
  166   2HB   ALA  47          2HB       ALA  47  -9.854   5.658   1.348
  167   3HB   ALA  47          3HB       ALA  47  -9.565   5.457  -0.398
  168    H    ILE  48           H        ILE  48  -6.803   3.416  -0.471
  169    HA   ILE  48           HA       ILE  48  -5.124   4.701   1.654
  170    HB   ILE  48           HB       ILE  48  -3.270   3.292   1.020
  171   1HG1  ILE  48          2HG1      ILE  48  -5.211   1.755  -0.749
  172   2HG1  ILE  48          3HG1      ILE  48  -3.922   2.852  -1.281
  173   1HG2  ILE  48          1HG2      ILE  48  -4.721   2.731   2.904
  174   2HG2  ILE  48          2HG2      ILE  48  -5.793   1.801   1.843
  175   3HG2  ILE  48          3HG2      ILE  48  -4.130   1.266   2.125
  176   1HD1  ILE  48          1HD1      ILE  48  -2.210   1.450  -0.231
  177   2HD1  ILE  48          2HD1      ILE  48  -3.460   0.292   0.250
  178   3HD1  ILE  48          3HD1      ILE  48  -3.138   0.575  -1.464
  179    H    ASP  49           H        ASP  49  -6.456   5.350  -1.297
  180    HA   ASP  49           HA       ASP  49  -4.533   6.465  -2.875
  181   1HB   ASP  49          2HB       ASP  49  -6.932   6.591  -3.395
  182   2HB   ASP  49          3HB       ASP  49  -7.197   7.702  -2.039
  183    H    LYS  50           H        LYS  50  -5.748   7.943   0.135
  184    HA   LYS  50           HA       LYS  50  -3.739  10.132  -0.064
  185   1HB   LYS  50          2HB       LYS  50  -6.548   9.952   0.833
  186   2HB   LYS  50          3HB       LYS  50  -5.530  10.608   2.091
  187   1HG   LYS  50          2HG       LYS  50  -6.359  12.407   0.862
  188   2HG   LYS  50          3HG       LYS  50  -4.629  12.301   0.523
  189   1HD   LYS  50          2HD       LYS  50  -4.996  11.575  -1.725
  190   2HD   LYS  50          3HD       LYS  50  -6.567  10.888  -1.327
  191   1HE   LYS  50          2HE       LYS  50  -6.947  12.842  -2.678
  192   2HE   LYS  50          3HE       LYS  50  -7.552  13.120  -1.044
  193   1HZ   LYS  50          1HZ       LYS  50  -5.444  14.486  -2.443
  194   2HZ   LYS  50          2HZ       LYS  50  -6.339  14.984  -1.147
  195   3HZ   LYS  50          3HZ       LYS  50  -5.005  14.071  -0.950
  196    H    ALA  51           H        ALA  51  -3.186   7.236   0.690
  197    HA   ALA  51           HA       ALA  51  -2.861   6.994   3.474
  198   1HB   ALA  51          1HB       ALA  51  -1.121   5.908   1.228
  199   2HB   ALA  51          2HB       ALA  51  -1.015   5.430   2.943
  200   3HB   ALA  51          3HB       ALA  51  -2.492   5.109   2.040
  201    H    GLY  52           H        GLY  52  -0.657   8.511   1.016
  202   1HA   GLY  52          1HA       GLY  52   1.408   9.279   2.697
  203   2HA   GLY  52          2HA       GLY  52   0.869  10.142   1.239
  204    H    ALA  53           H        ALA  53  -1.843  10.608   2.712
  205    HA   ALA  53           HA       ALA  53  -1.002  13.097   4.068
  206   1HB   ALA  53          1HB       ALA  53  -2.951  13.077   2.507
  207   2HB   ALA  53          2HB       ALA  53  -3.794  11.978   3.621
  208   3HB   ALA  53          3HB       ALA  53  -3.351  13.608   4.153
  209    H    ASN  54           H        ASN  54  -2.220   9.844   4.790
  210    HA   ASN  54           HA       ASN  54  -2.889  10.477   7.592
  211   1HB   ASN  54          2HB       ASN  54  -3.007   7.996   5.851
  212   2HB   ASN  54          3HB       ASN  54  -2.980   7.854   7.608
  213   1HD2  ASN  54          1HD2      ASN  54  -4.821   9.505   4.981
  214   2HD2  ASN  54          2HD2      ASN  54  -6.323   9.489   5.902
  215    H    TYR  55           H        TYR  55  -0.341   8.700   5.801
  216    HA   TYR  55           HA       TYR  55   1.379   8.569   8.223
  217   1HB   TYR  55          2HB       TYR  55   0.883   6.239   6.360
  218   2HB   TYR  55          3HB       TYR  55   1.603   6.209   7.957
  219    HD1  TYR  55           HD1      TYR  55  -1.174   5.222   6.155
  220    HD2  TYR  55           HD2      TYR  55  -0.160   7.125   9.890
  221    HE1  TYR  55           HE1      TYR  55  -3.315   4.462   7.135
  222    HE2  TYR  55           HE2      TYR  55  -2.317   6.347  10.856
  223    HH   TYR  55           HH       TYR  55  -4.423   4.025   9.151
  224    H    SER  56           H        SER  56   3.648   8.574   7.613
  225    HA   SER  56           HA       SER  56   4.191   9.463   4.840
  226   1HB   SER  56          2HB       SER  56   5.902   9.219   7.349
  227   2HB   SER  56          3HB       SER  56   6.507   9.800   5.784
  228    HG   SER  56           HG       SER  56   4.713  11.359   5.899
  229    H    GLU  57           H        GLU  57   6.282   8.525   3.768
  230    HA   GLU  57           HA       GLU  57   5.710   5.949   2.990
  231   1HB   GLU  57          2HB       GLU  57   7.962   5.885   1.988
  232   2HB   GLU  57          3HB       GLU  57   7.081   7.360   1.650
  233   1HG   GLU  57          2HG       GLU  57   8.559   8.005   3.972
  234   2HG   GLU  57          3HG       GLU  57   9.640   7.017   2.980
  235    H    GLU  58           H        GLU  58   8.084   6.849   5.563
  236    HA   GLU  58           HA       GLU  58   9.044   4.275   6.093
  237   1HB   GLU  58          2HB       GLU  58   8.494   6.609   7.988
  238   2HB   GLU  58          3HB       GLU  58   9.349   5.130   8.447
  239   1HG   GLU  58          2HG       GLU  58  10.992   5.540   6.587
  240   2HG   GLU  58          3HG       GLU  58  10.232   7.116   6.306
  241    H    GLU  59           H        GLU  59   5.936   5.754   7.140
  242    HA   GLU  59           HA       GLU  59   5.318   3.614   9.012
  243   1HB   GLU  59          2HB       GLU  59   3.711   5.869   7.794
  244   2HB   GLU  59          3HB       GLU  59   3.110   4.782   9.060
  245   1HG   GLU  59          2HG       GLU  59   4.689   5.639  10.653
  246   2HG   GLU  59          3HG       GLU  59   5.595   6.518   9.408
  247    H    ILE  60           H        ILE  60   4.241   4.709   5.767
  248    HA   ILE  60           HA       ILE  60   2.286   2.710   5.371
  249    HB   ILE  60           HB       ILE  60   3.918   4.234   3.342
  250   1HG1  ILE  60          2HG1      ILE  60   1.145   4.645   4.544
  251   2HG1  ILE  60          3HG1      ILE  60   2.566   5.580   4.916
  252   1HG2  ILE  60          1HG2      ILE  60   1.182   3.138   2.715
  253   2HG2  ILE  60          2HG2      ILE  60   2.525   3.485   1.633
  254   3HG2  ILE  60          3HG2      ILE  60   2.522   2.014   2.608
  255   1HD1  ILE  60          1HD1      ILE  60   2.718   6.337   2.541
  256   2HD1  ILE  60          2HD1      ILE  60   1.236   5.414   2.174
  257   3HD1  ILE  60          3HD1      ILE  60   1.174   6.774   3.297
  258    H    LEU  61           H        LEU  61   5.746   2.867   4.567
  259    HA   LEU  61           HA       LEU  61   6.017   0.422   3.241
  260   1HB   LEU  61          2HB       LEU  61   7.706   2.210   3.217
  261   2HB   LEU  61          3HB       LEU  61   8.046   1.951   4.930
  262    HG   LEU  61           HG       LEU  61   9.039  -0.192   4.472
  263   1HD1  LEU  61          1HD1      LEU  61   9.238  -1.027   2.088
  264   2HD1  LEU  61          2HD1      LEU  61   7.603  -1.111   2.755
  265   3HD1  LEU  61          3HD1      LEU  61   8.030   0.191   1.623
  266   1HD2  LEU  61          1HD2      LEU  61  10.427   1.819   4.070
  267   2HD2  LEU  61          2HD2      LEU  61  10.890   0.493   2.987
  268   3HD2  LEU  61          3HD2      LEU  61   9.912   1.841   2.371
  269    H    ASP  62           H        ASP  62   6.481   1.225   6.752
  270    HA   ASP  62           HA       ASP  62   6.956  -1.411   7.609
  271   1HB   ASP  62          2HB       ASP  62   7.155   0.705   8.973
  272   2HB   ASP  62          3HB       ASP  62   5.396   0.657   9.192
  273    H    ILE  63           H        ILE  63   3.756   0.244   7.203
  274    HA   ILE  63           HA       ILE  63   2.201  -2.007   8.018
  275    HB   ILE  63           HB       ILE  63   1.560   0.167   5.983
  276   1HG1  ILE  63          2HG1      ILE  63   0.761  -0.037   8.911
  277   2HG1  ILE  63          3HG1      ILE  63   2.090   0.940   8.306
  278   1HG2  ILE  63          1HG2      ILE  63  -0.770  -0.395   6.232
  279   2HG2  ILE  63          2HG2      ILE  63   0.058  -1.871   5.763
  280   3HG2  ILE  63          3HG2      ILE  63  -0.403  -1.618   7.455
  281   1HD1  ILE  63          1HD1      ILE  63   0.300   2.445   8.522
  282   2HD1  ILE  63          2HD1      ILE  63   0.431   2.129   6.784
  283   3HD1  ILE  63          3HD1      ILE  63  -0.844   1.343   7.742
  284    H    ILE  64           H        ILE  64   3.284  -1.132   4.685
  285    HA   ILE  64           HA       ILE  64   2.197  -3.392   3.389
  286    HB   ILE  64           HB       ILE  64   4.702  -1.773   2.801
  287   1HG1  ILE  64          2HG1      ILE  64   2.053  -1.721   1.335
  288   2HG1  ILE  64          3HG1      ILE  64   2.254  -0.752   2.786
  289   1HG2  ILE  64          1HG2      ILE  64   3.303  -3.930   1.182
  290   2HG2  ILE  64          2HG2      ILE  64   4.349  -2.710   0.432
  291   3HG2  ILE  64          3HG2      ILE  64   5.018  -3.834   1.618
  292   1HD1  ILE  64          1HD1      ILE  64   2.761   0.612   0.830
  293   2HD1  ILE  64          2HD1      ILE  64   4.182   0.409   1.850
  294   3HD1  ILE  64          3HD1      ILE  64   4.048  -0.500   0.335
  295    H    LEU  65           H        LEU  65   5.338  -3.021   5.037
  296    HA   LEU  65           HA       LEU  65   6.284  -5.660   4.544
  297   1HB   LEU  65          2HB       LEU  65   6.955  -3.584   6.649
  298   2HB   LEU  65          3HB       LEU  65   7.803  -5.110   6.524
  299    HG   LEU  65           HG       LEU  65   7.619  -3.169   4.175
  300   1HD1  LEU  65          1HD1      LEU  65   8.668  -1.977   6.052
  301   2HD1  LEU  65          2HD1      LEU  65   9.756  -3.346   6.348
  302   3HD1  LEU  65          3HD1      LEU  65   9.895  -2.408   4.848
  303   1HD2  LEU  65          1HD2      LEU  65   8.308  -5.504   3.646
  304   2HD2  LEU  65          2HD2      LEU  65   9.608  -4.334   3.380
  305   3HD2  LEU  65          3HD2      LEU  65   9.629  -5.350   4.833
  306    H    ASN  66           H        ASN  66   3.922  -4.515   7.016
  307    HA   ASN  66           HA       ASN  66   4.344  -7.108   8.512
  308   1HB   ASN  66          2HB       ASN  66   4.113  -4.318   9.702
  309   2HB   ASN  66          3HB       ASN  66   4.202  -5.837  10.604
  310   1HD2  ASN  66          1HD2      ASN  66   6.059  -3.255   9.868
  311   2HD2  ASN  66          2HD2      ASN  66   7.630  -4.021   9.785
  312    H    GLY  67           H        GLY  67   2.456  -5.982   6.628
  313   1HA   GLY  67          1HA       GLY  67   0.365  -5.123   6.294
  314   2HA   GLY  67          2HA       GLY  67  -0.165  -6.634   6.905
  315    H    GLN  68           H        GLN  68  -1.949  -5.889   8.324
  316    HA   GLN  68           HA       GLN  68  -1.723  -4.450  10.686
  317   1HB   GLN  68          2HB       GLN  68  -1.217  -2.398   9.456
  318   2HB   GLN  68          3HB       GLN  68  -2.541  -2.693   8.316
  319   1HG   GLN  68          2HG       GLN  68  -4.123  -2.392  10.288
  320   2HG   GLN  68          3HG       GLN  68  -2.721  -1.982  11.278
  321   1HE2  GLN  68          1HE2      GLN  68  -5.268  -0.616   9.707
  322   2HE2  GLN  68          2HE2      GLN  68  -4.551   0.934   9.233
  323    H    GLY  69           H        GLY  69  -3.863  -4.556  11.746
  324   1HA   GLY  69          1HA       GLY  69  -5.485  -6.154  12.096
  325   2HA   GLY  69          2HA       GLY  69  -6.326  -4.863  11.273
  326    H    GLY  70           H        GLY  70  -7.219  -5.349   9.130
  327   1HA   GLY  70          1HA       GLY  70  -7.647  -8.143   8.613
  328   2HA   GLY  70          2HA       GLY  70  -8.097  -6.808   7.561
  329    H    MET  71           H        MET  71  -5.321  -5.858   7.270
  330    HA   MET  71           HA       MET  71  -4.532  -7.269   4.984
  331   1HB   MET  71          1HB       MET  71  -3.620  -4.939   6.378
  332   2HB   MET  71          2HB       MET  71  -2.197  -5.967   6.202
  333   1HG   MET  71          1HG       MET  71  -2.485  -5.999   3.779
  334   2HG   MET  71          2HG       MET  71  -4.083  -5.330   4.029
  335   1HE   MET  71          1HE       MET  71  -0.287  -3.030   3.367
  336   2HE   MET  71          2HE       MET  71  -0.242  -4.545   4.293
  337   3HE   MET  71          3HE       MET  71  -0.882  -4.547   2.645
  338    HA   PRO  72           HA       PRO  72  -2.522 -10.863   6.799
  339   1HB   PRO  72          2HB       PRO  72  -0.996 -11.629   4.566
  340   2HB   PRO  72          3HB       PRO  72  -2.729 -12.030   4.833
  341   1HG   PRO  72          2HG       PRO  72  -1.491  -9.902   3.134
  342   2HG   PRO  72          3HG       PRO  72  -2.942 -10.869   2.792
  343   1HD   PRO  72          2HD       PRO  72  -3.040  -8.278   3.699
  344   2HD   PRO  72          3HD       PRO  72  -4.295  -9.468   4.118
  345    H    GLY  73           H        GLY  73  -0.408  -9.016   4.584
  346   1HA   GLY  73          1HA       GLY  73   1.191  -7.509   5.427
  347   2HA   GLY  73          2HA       GLY  73   1.594  -8.613   6.779
  348    H    GLY  74           H        GLY  74   3.250  -7.233   4.786
  349   1HA   GLY  74          1HA       GLY  74   5.227  -7.770   3.684
  350   2HA   GLY  74          2HA       GLY  74   5.001  -9.471   4.129
  351    H    ILE  75           H        ILE  75   2.456  -7.768   2.517
  352    HA   ILE  75           HA       ILE  75   2.098  -9.501   0.373
  353    HB   ILE  75           HB       ILE  75   1.151  -6.824   1.330
  354   1HG1  ILE  75          2HG1      ILE  75  -0.529  -8.971   0.083
  355   2HG1  ILE  75          3HG1      ILE  75   0.216  -9.247   1.667
  356   1HG2  ILE  75          1HG2      ILE  75   1.524  -6.283  -1.134
  357   2HG2  ILE  75          2HG2      ILE  75   0.747  -7.804  -1.590
  358   3HG2  ILE  75          3HG2      ILE  75  -0.188  -6.515  -0.834
  359   1HD1  ILE  75          1HD1      ILE  75  -0.869  -7.425   2.673
  360   2HD1  ILE  75          2HD1      ILE  75  -1.293  -6.680   1.129
  361   3HD1  ILE  75          3HD1      ILE  75  -2.125  -8.155   1.632
  362    H    ALA  76           H        ALA  76   3.595  -6.223   0.103
  363    HA   ALA  76           HA       ALA  76   5.403  -7.297  -2.017
  364   1HB   ALA  76          1HB       ALA  76   5.870  -4.909  -2.492
  365   2HB   ALA  76          2HB       ALA  76   4.160  -5.305  -2.710
  366   3HB   ALA  76          3HB       ALA  76   4.692  -4.433  -1.254
  367    H    LYS  77           H        LYS  77   7.693  -6.709  -1.757
  368    HA   LYS  77           HA       LYS  77   8.671  -5.959   0.924
  369   1HB   LYS  77          2HB       LYS  77   8.813  -8.698  -0.303
  370   2HB   LYS  77          3HB       LYS  77  10.292  -8.111   0.438
  371   1HG   LYS  77          2HG       LYS  77   7.727  -7.907   2.020
  372   2HG   LYS  77          3HG       LYS  77   8.487  -9.488   1.825
  373   1HD   LYS  77          2HD       LYS  77  10.635  -8.611   2.733
  374   2HD   LYS  77          3HD       LYS  77   9.932  -7.005   2.835
  375   1HE   LYS  77          2HE       LYS  77   9.735  -7.678   5.035
  376   2HE   LYS  77          3HE       LYS  77   8.136  -8.113   4.425
  377   1HZ   LYS  77          1HZ       LYS  77  10.444  -9.926   4.772
  378   2HZ   LYS  77          2HZ       LYS  77   9.134  -9.830   5.755
  379   3HZ   LYS  77          3HZ       LYS  77   8.960 -10.387   4.217
  380    H    GLY  78           H        GLY  78  11.102  -5.626   0.813
  381   1HA   GLY  78          1HA       GLY  78  12.940  -4.658  -0.168
  382   2HA   GLY  78          2HA       GLY  78  12.573  -5.680  -1.567
  383    H    ALA  79           H        ALA  79  13.220  -4.087  -3.063
  384    HA   ALA  79           HA       ALA  79  12.450  -1.432  -3.287
  385   1HB   ALA  79          1HB       ALA  79  12.774  -1.691  -5.703
  386   2HB   ALA  79          2HB       ALA  79  14.069  -2.472  -4.780
  387   3HB   ALA  79          3HB       ALA  79  12.786  -3.457  -5.528
  388    H    GLU  80           H        GLU  80  10.605  -4.353  -4.034
  389    HA   GLU  80           HA       GLU  80   8.457  -3.248  -5.461
  390   1HB   GLU  80          2HB       GLU  80   9.174  -5.786  -4.722
  391   2HB   GLU  80          3HB       GLU  80   7.903  -5.477  -3.528
  392   1HG   GLU  80          2HG       GLU  80   6.403  -4.859  -5.360
  393   2HG   GLU  80          3HG       GLU  80   7.641  -5.303  -6.542
  394    H    ALA  81           H        ALA  81   8.946  -3.695  -1.947
  395    HA   ALA  81           HA       ALA  81   6.428  -2.406  -1.238
  396   1HB   ALA  81          1HB       ALA  81   7.224  -2.528   1.045
  397   2HB   ALA  81          2HB       ALA  81   7.453  -4.068   0.229
  398   3HB   ALA  81          3HB       ALA  81   8.852  -3.007   0.503
  399    H    GLU  82           H        GLU  82   9.891  -1.384  -1.090
  400    HA   GLU  82           HA       GLU  82   9.535   1.172  -0.014
  401   1HB   GLU  82          2HB       GLU  82  11.564  -0.037  -1.883
  402   2HB   GLU  82          3HB       GLU  82  11.586   1.706  -1.634
  403   1HG   GLU  82          2HG       GLU  82  11.858   1.448   0.756
  404   2HG   GLU  82          3HG       GLU  82  11.755  -0.323   0.621
  405    H    ALA  83           H        ALA  83   9.611   0.360  -3.523
  406    HA   ALA  83           HA       ALA  83   9.260   2.995  -4.452
  407   1HB   ALA  83          1HB       ALA  83   8.355   0.379  -5.742
  408   2HB   ALA  83          2HB       ALA  83   8.589   1.932  -6.574
  409   3HB   ALA  83          3HB       ALA  83   9.974   1.097  -5.859
  410    H    VAL  84           H        VAL  84   6.826   0.451  -3.798
  411    HA   VAL  84           HA       VAL  84   4.500   1.939  -4.443
  412    HB   VAL  84           HB       VAL  84   5.018  -0.367  -2.524
  413   1HG1  VAL  84          1HG1      VAL  84   3.071   0.691  -1.632
  414   2HG1  VAL  84          2HG1      VAL  84   2.430   1.052  -3.239
  415   3HG1  VAL  84          3HG1      VAL  84   2.494  -0.630  -2.664
  416   1HG2  VAL  84          1HG2      VAL  84   5.308  -0.850  -4.941
  417   2HG2  VAL  84          2HG2      VAL  84   3.828  -1.590  -4.291
  418   3HG2  VAL  84          3HG2      VAL  84   3.748  -0.119  -5.277
  419    H    ALA  85           H        ALA  85   5.977   1.423  -1.223
  420    HA   ALA  85           HA       ALA  85   4.281   3.046   0.251
  421   1HB   ALA  85          1HB       ALA  85   6.057   1.564   1.189
  422   2HB   ALA  85          2HB       ALA  85   7.279   2.766   0.730
  423   3HB   ALA  85          3HB       ALA  85   6.029   3.192   1.914
  424    H    ALA  86           H        ALA  86   7.337   4.023  -1.341
  425    HA   ALA  86           HA       ALA  86   7.263   6.763  -0.551
  426   1HB   ALA  86          1HB       ALA  86   8.901   7.085  -2.376
  427   2HB   ALA  86          2HB       ALA  86   9.294   5.701  -1.338
  428   3HB   ALA  86          3HB       ALA  86   8.583   5.429  -2.945
  429    H    TRP  87           H        TRP  87   6.095   5.130  -3.535
  430    HA   TRP  87           HA       TRP  87   5.113   7.441  -4.854
  431   1HB   TRP  87          2HB       TRP  87   5.478   5.305  -5.911
  432   2HB   TRP  87          3HB       TRP  87   4.273   4.534  -4.886
  433    HD1  TRP  87           HD1      TRP  87   4.363   7.266  -7.635
  434    HE1  TRP  87           HE1      TRP  87   2.345   6.846  -9.207
  435    HE3  TRP  87           HE3      TRP  87   2.184   3.280  -5.267
  436    HZ2  TRP  87           HZ2      TRP  87  -0.088   5.371  -9.170
  437    HZ3  TRP  87           HZ3      TRP  87  -0.072   2.523  -5.969
  438    HH2  TRP  87           HH2      TRP  87  -1.199   3.509  -7.888
  439    H    LEU  88           H        LEU  88   3.444   5.159  -2.643
  440    HA   LEU  88           HA       LEU  88   0.931   6.531  -2.532
  441   1HB   LEU  88          2HB       LEU  88   2.359   4.561  -0.712
  442   2HB   LEU  88          3HB       LEU  88   0.853   5.309  -0.236
  443    HG   LEU  88           HG       LEU  88   1.112   2.945  -1.639
  444   1HD1  LEU  88          1HD1      LEU  88  -0.809   3.598  -0.181
  445   2HD1  LEU  88          2HD1      LEU  88  -1.336   4.757  -1.432
  446   3HD1  LEU  88          3HD1      LEU  88  -1.338   3.021  -1.780
  447   1HD2  LEU  88          1HD2      LEU  88   0.109   3.164  -3.731
  448   2HD2  LEU  88          2HD2      LEU  88  -0.228   4.898  -3.539
  449   3HD2  LEU  88          3HD2      LEU  88   1.448   4.335  -3.664
  450    H    ALA  89           H        ALA  89   3.950   6.967  -0.674
  451    HA   ALA  89           HA       ALA  89   2.825   8.819   1.168
  452   1HB   ALA  89          1HB       ALA  89   4.893   7.666   1.559
  453   2HB   ALA  89          2HB       ALA  89   5.695   8.592   0.260
  454   3HB   ALA  89          3HB       ALA  89   5.097   9.424   1.707
  455    H    GLU  90           H        GLU  90   4.408   9.228  -2.008
  456    HA   GLU  90           HA       GLU  90   4.163  12.071  -2.124
  457   1HB   GLU  90          2HB       GLU  90   4.948   9.908  -3.928
  458   2HB   GLU  90          3HB       GLU  90   3.884  11.034  -4.774
  459   1HG   GLU  90          2HG       GLU  90   6.352  11.879  -3.200
  460   2HG   GLU  90          3HG       GLU  90   6.300  11.613  -4.949
  461    H    LYS  91           H        LYS  91   1.881   9.444  -2.981
  462    HA   LYS  91           HA       LYS  91  -0.097  11.297  -4.022
  463   1HB   LYS  91          2HB       LYS  91  -0.550   8.469  -3.041
  464   2HB   LYS  91          3HB       LYS  91  -1.607   9.459  -4.053
  465   1HG   LYS  91          2HG       LYS  91   0.881   9.461  -5.424
  466   2HG   LYS  91          3HG       LYS  91   0.729   7.823  -4.791
  467   1HD   LYS  91          2HD       LYS  91  -1.190   9.281  -6.629
  468   2HD   LYS  91          3HD       LYS  91  -0.179   7.887  -7.006
  469   1HE   LYS  91          2HE       LYS  91  -1.805   6.474  -6.368
  470   2HE   LYS  91          3HE       LYS  91  -1.753   7.119  -4.729
  471   1HZ   LYS  91          1HZ       LYS  91  -3.244   8.961  -5.784
  472   2HZ   LYS  91          2HZ       LYS  91  -3.613   7.781  -6.872
  473   3HZ   LYS  91          3HZ       LYS  91  -3.922   7.632  -5.276
  474    H    LYS  92           H        LYS  92  -0.943  12.876  -2.702
  475    HA   LYS  92           HA       LYS  92  -2.252  12.118  -0.204
  476   1HB   LYS  92          2HB       LYS  92  -1.101  13.806   1.105
  477   2HB   LYS  92          3HB       LYS  92  -0.017  12.533   0.542
  478   1HG   LYS  92          2HG       LYS  92   0.146  14.500  -1.479
  479   2HG   LYS  92          3HG       LYS  92   0.021  15.433   0.009
  480   1HD   LYS  92          2HD       LYS  92   1.931  13.130  -0.548
  481   2HD   LYS  92          3HD       LYS  92   2.411  14.792  -0.755
  482   1HE   LYS  92          2HE       LYS  92   1.316  13.981   1.965
  483   2HE   LYS  92          3HE       LYS  92   2.870  13.295   1.497
  484   1HZ   LYS  92          1HZ       LYS  92   2.289  16.172   1.511
  485   2HZ   LYS  92          2HZ       LYS  92   3.100  15.352   2.690
  486   3HZ   LYS  92          3HZ       LYS  92   3.737  15.456   1.176
  487    HHA  HEC  93           HHA      HEC  93  -4.979  -0.500   6.253
  488    HHB  HEC  93           HHB      HEC  93  -0.470   0.627   1.859
  489    HHC  HEC  93           HHC      HEC  93  -1.864  -5.111  -0.811
  490    HHD  HEC  93           HHD      HEC  93  -7.042  -5.600   2.929
  491   1HMA  HEC  93          1HMA      HEC  93  -1.122   2.857   4.889
  492   2HMA  HEC  93          2HMA      HEC  93   0.069   1.711   4.268
  493   3HMA  HEC  93          3HMA      HEC  93  -0.952   2.668   3.151
  494   1HAA  HEC  93          1HAA      HEC  93  -2.565   2.380   6.418
  495   2HAA  HEC  93          2HAA      HEC  93  -3.278   0.940   7.087
  496   1HBA  HEC  93          1HBA      HEC  93  -5.271   1.727   5.323
  497   2HBA  HEC  93          2HBA      HEC  93  -4.607   3.279   5.783
  498   1HMB  HEC  93          1HMB      HEC  93   0.489   0.600  -0.038
  499   2HMB  HEC  93          2HMB      HEC  93   1.516  -0.689  -0.641
  500   3HMB  HEC  93          3HMB      HEC  93   0.164  -0.076  -1.614
  501    HAB  HEC  93           HAB      HEC  93  -0.265  -4.289  -1.882
  502   1HBB  HEC  93          1HBB      HEC  93   2.186  -2.618  -1.297
  503   2HBB  HEC  93          2HBB      HEC  93   1.753  -4.128  -0.482
  504   3HBB  HEC  93          3HBB      HEC  93   2.063  -4.106  -2.232
  505   1HMC  HEC  93          1HMC      HEC  93  -2.637  -7.314  -0.909
  506   2HMC  HEC  93          2HMC      HEC  93  -4.251  -8.013  -0.977
  507   3HMC  HEC  93          3HMC      HEC  93  -3.910  -6.528  -1.872
  508    HAC  HEC  93           HAC      HEC  93  -7.143  -7.154   1.511
  509   1HBC  HEC  93          1HBC      HEC  93  -4.926  -9.098   0.795
  510   2HBC  HEC  93          2HBC      HEC  93  -5.607  -8.750   2.392
  511   3HBC  HEC  93          3HBC      HEC  93  -6.615  -9.508   1.152
  512   1HMD  HEC  93          1HMD      HEC  93  -7.825  -5.348   5.906
  513   2HMD  HEC  93          2HMD      HEC  93  -8.956  -3.995   5.742
  514   3HMD  HEC  93          3HMD      HEC  93  -8.638  -5.034   4.361
  515   1HAD  HEC  93          1HAD      HEC  93  -8.064  -2.456   7.092
  516   2HAD  HEC  93          2HAD      HEC  93  -6.891  -1.153   7.141
  517   1HBD  HEC  93          1HBD      HEC  93  -5.177  -2.632   8.025
  518   2HBD  HEC  93          2HBD      HEC  93  -6.217  -4.037   7.745
  Start of MODEL   20
    1   1H    VAL  22          H1        VAL  22  11.842  -0.122 -10.385
    2   2H    VAL  22          H2        VAL  22  11.696  -0.028  -8.754
    3   3H    VAL  22          H3        VAL  22  12.519  -1.308  -9.440
    4    HA   VAL  22           HA       VAL  22  10.433  -1.973 -10.505
    5    HB   VAL  22           HB       VAL  22  10.611  -1.819  -7.467
    6   1HG1  VAL  22          1HG1      VAL  22   8.387  -3.026  -9.155
    7   2HG1  VAL  22          2HG1      VAL  22   8.759  -3.561  -7.513
    8   3HG1  VAL  22          3HG1      VAL  22   8.257  -1.888  -7.786
    9   1HG2  VAL  22          1HG2      VAL  22  12.178  -3.369  -8.623
   10   2HG2  VAL  22          2HG2      VAL  22  10.957  -4.257  -7.696
   11   3HG2  VAL  22          3HG2      VAL  22  10.802  -4.129  -9.457
   12    H    ASP  23           H        ASP  23   8.524  -1.225 -11.254
   13    HA   ASP  23           HA       ASP  23   7.799   1.481 -10.799
   14   1HB   ASP  23          2HB       ASP  23   6.557  -0.793 -12.385
   15   2HB   ASP  23          3HB       ASP  23   5.956   0.872 -12.391
   16    H    ALA  24           H        ALA  24   7.106   1.901  -8.797
   17    HA   ALA  24           HA       ALA  24   5.647   0.564  -6.944
   18   1HB   ALA  24          1HB       ALA  24   6.464   2.813  -6.572
   19   2HB   ALA  24          2HB       ALA  24   5.393   3.472  -7.824
   20   3HB   ALA  24          3HB       ALA  24   4.698   2.814  -6.334
   21    H    GLU  25           H        GLU  25   4.154   2.552  -9.534
   22    HA   GLU  25           HA       GLU  25   1.480   1.938  -9.043
   23   1HB   GLU  25          2HB       GLU  25   1.188   2.389 -11.531
   24   2HB   GLU  25          3HB       GLU  25   1.823   3.684 -10.519
   25   1HG   GLU  25          2HG       GLU  25   4.060   3.391 -11.327
   26   2HG   GLU  25          3HG       GLU  25   3.626   1.883 -12.162
   27    H    ALA  26           H        ALA  26   3.845   0.072 -11.019
   28    HA   ALA  26           HA       ALA  26   1.902  -1.763 -12.066
   29   1HB   ALA  26          1HB       ALA  26   4.885  -2.218 -11.684
   30   2HB   ALA  26          2HB       ALA  26   3.796  -3.080 -12.779
   31   3HB   ALA  26          3HB       ALA  26   4.156  -1.365 -13.068
   32    H    VAL  27           H        VAL  27   4.147  -1.858  -9.269
   33    HA   VAL  27           HA       VAL  27   3.410  -4.477  -8.347
   34    HB   VAL  27           HB       VAL  27   4.331  -2.008  -6.798
   35   1HG1  VAL  27          1HG1      VAL  27   4.874  -3.587  -4.975
   36   2HG1  VAL  27          2HG1      VAL  27   3.146  -3.598  -5.268
   37   3HG1  VAL  27          3HG1      VAL  27   4.156  -4.909  -5.908
   38   1HG2  VAL  27          1HG2      VAL  27   6.486  -3.162  -6.773
   39   2HG2  VAL  27          2HG2      VAL  27   5.819  -4.482  -7.766
   40   3HG2  VAL  27          3HG2      VAL  27   5.971  -2.846  -8.440
   41    H    VAL  28           H        VAL  28   2.217  -1.247  -7.342
   42    HA   VAL  28           HA       VAL  28   0.232  -2.050  -5.591
   43    HB   VAL  28           HB       VAL  28   0.569   0.310  -7.461
   44   1HG1  VAL  28          1HG1      VAL  28  -1.853   0.182  -7.104
   45   2HG1  VAL  28          2HG1      VAL  28  -1.576   0.096  -5.344
   46   3HG1  VAL  28          3HG1      VAL  28  -1.107   1.539  -6.272
   47   1HG2  VAL  28          1HG2      VAL  28   1.738   1.236  -5.750
   48   2HG2  VAL  28          2HG2      VAL  28   0.540   0.749  -4.538
   49   3HG2  VAL  28          3HG2      VAL  28   1.778  -0.394  -5.049
   50    H    GLN  29           H        GLN  29  -0.073  -1.515  -9.065
   51    HA   GLN  29           HA       GLN  29  -2.722  -2.184  -9.468
   52   1HB   GLN  29          2HB       GLN  29  -0.283  -2.373 -11.207
   53   2HB   GLN  29          3HB       GLN  29  -1.855  -2.915 -11.786
   54   1HG   GLN  29          2HG       GLN  29  -1.473  -0.123 -10.599
   55   2HG   GLN  29          3HG       GLN  29  -1.146  -0.481 -12.295
   56   1HE2  GLN  29          1HE2      GLN  29  -3.671   0.116  -9.930
   57   2HE2  GLN  29          2HE2      GLN  29  -4.990  -0.012 -11.067
   58    H    GLN  30           H        GLN  30  -0.070  -4.421  -8.732
   59    HA   GLN  30           HA       GLN  30  -2.114  -6.542  -8.632
   60   1HB   GLN  30          2HB       GLN  30   0.533  -6.810 -10.125
   61   2HB   GLN  30          3HB       GLN  30  -0.402  -8.190  -9.515
   62   1HG   GLN  30          2HG       GLN  30  -2.425  -7.058 -10.742
   63   2HG   GLN  30          3HG       GLN  30  -1.153  -6.254 -11.677
   64   1HE2  GLN  30          1HE2      GLN  30  -2.245  -9.483 -10.465
   65   2HE2  GLN  30          2HE2      GLN  30  -1.710 -10.384 -11.871
   66    H    LYS  31           H        LYS  31  -1.594  -5.297  -6.514
   67    HA   LYS  31           HA       LYS  31  -0.916  -7.446  -4.815
   68   1HB   LYS  31          2HB       LYS  31   1.267  -5.456  -5.252
   69   2HB   LYS  31          3HB       LYS  31   0.951  -5.880  -3.584
   70   1HG   LYS  31          2HG       LYS  31   2.012  -7.854  -3.733
   71   2HG   LYS  31          3HG       LYS  31   1.056  -8.332  -5.122
   72   1HD   LYS  31          2HD       LYS  31   2.669  -6.686  -6.441
   73   2HD   LYS  31          3HD       LYS  31   3.730  -6.937  -5.028
   74   1HE   LYS  31          2HE       LYS  31   3.715  -9.358  -5.424
   75   2HE   LYS  31          3HE       LYS  31   2.501  -9.177  -6.711
   76   1HZ   LYS  31          1HZ       LYS  31   4.689  -9.420  -7.627
   77   2HZ   LYS  31          2HZ       LYS  31   4.123  -7.912  -7.969
   78   3HZ   LYS  31          3HZ       LYS  31   5.254  -8.139  -6.807
   79    H    CYS  32           H        CYS  32  -1.461  -3.894  -5.125
   80    HA   CYS  32           HA       CYS  32  -2.662  -3.972  -2.404
   81   1HB   CYS  32          2HB       CYS  32  -2.224  -1.507  -4.027
   82   2HB   CYS  32          3HB       CYS  32  -2.413  -1.706  -2.282
   83    H    ILE  33           H        ILE  33  -3.411  -2.813  -5.677
   84    HA   ILE  33           HA       ILE  33  -6.040  -2.028  -5.094
   85    HB   ILE  33           HB       ILE  33  -6.488  -2.124  -7.454
   86   1HG1  ILE  33          2HG1      ILE  33  -4.564  -2.858  -8.970
   87   2HG1  ILE  33          3HG1      ILE  33  -4.111  -3.947  -7.640
   88   1HG2  ILE  33          1HG2      ILE  33  -4.845  -0.543  -8.151
   89   2HG2  ILE  33          2HG2      ILE  33  -4.906  -0.385  -6.389
   90   3HG2  ILE  33          3HG2      ILE  33  -3.592  -1.287  -7.153
   91   1HD1  ILE  33          1HD1      ILE  33  -6.721  -4.663  -7.996
   92   2HD1  ILE  33          2HD1      ILE  33  -6.441  -3.864  -9.548
   93   3HD1  ILE  33          3HD1      ILE  33  -5.434  -5.239  -9.070
   94    H    SER  34           H        SER  34  -4.764  -5.201  -5.600
   95    HA   SER  34           HA       SER  34  -6.836  -6.860  -6.166
   96   1HB   SER  34          2HB       SER  34  -4.385  -7.376  -5.419
   97   2HB   SER  34          3HB       SER  34  -5.050  -7.436  -3.777
   98    HG   SER  34           HG       SER  34  -6.590  -9.001  -4.707
   99    H    CYS  35           H        CYS  35  -6.395  -5.062  -3.117
  100    HA   CYS  35           HA       CYS  35  -9.147  -5.914  -2.275
  101   1HB   CYS  35          2HB       CYS  35  -6.926  -4.957  -0.481
  102   2HB   CYS  35          3HB       CYS  35  -8.488  -5.642   0.004
  103    H    HIS  36           HN       HIS  36  -6.746  -3.247  -2.405
  104    HA   HIS  36           HA       HIS  36  -8.570  -1.287  -1.312
  105   1HB   HIS  36          2HB       HIS  36  -5.819  -1.175  -2.615
  106   2HB   HIS  36          3HB       HIS  36  -6.676   0.241  -2.020
  107    HD1  HIS  36           HD1      HIS  36  -7.391   0.148   0.653
  108    HD2  HIS  36           HD2      HIS  36  -4.392  -2.455  -0.711
  109    HE1  HIS  36           1HE      HIS  36  -6.128  -0.609   2.715
  110    H    GLY  37           H        GLY  37  -8.452  -2.647  -4.427
  111   1HA   GLY  37          1HA       GLY  37  -9.947  -2.207  -6.116
  112   2HA   GLY  37          2HA       GLY  37 -10.316  -0.603  -5.453
  113    H    GLY  38           H        GLY  38  -9.579  -1.336  -8.216
  114   1HA   GLY  38          1HA       GLY  38  -7.047  -0.869  -9.170
  115   2HA   GLY  38          2HA       GLY  38  -8.514  -0.249  -9.921
  116    H    ASP  39           H        ASP  39  -9.332   1.533  -7.921
  117    HA   ASP  39           HA       ASP  39  -7.560   3.782  -8.607
  118   1HB   ASP  39          2HB       ASP  39 -10.464   3.576  -7.721
  119   2HB   ASP  39          3HB       ASP  39  -9.592   5.098  -7.934
  120    H    LEU  40           H        LEU  40  -7.812   1.695  -5.841
  121    HA   LEU  40           HA       LEU  40  -7.001   1.893  -3.844
  122   1HB   LEU  40          2HB       LEU  40  -5.877   4.633  -4.526
  123   2HB   LEU  40          3HB       LEU  40  -5.365   3.523  -3.285
  124    HG   LEU  40           HG       LEU  40  -5.219   1.954  -5.641
  125   1HD1  LEU  40          1HD1      LEU  40  -3.643   3.303  -7.060
  126   2HD1  LEU  40          2HD1      LEU  40  -5.304   3.879  -7.143
  127   3HD1  LEU  40          3HD1      LEU  40  -4.119   4.755  -6.157
  128   1HD2  LEU  40          1HD2      LEU  40  -2.938   1.888  -5.205
  129   2HD2  LEU  40          2HD2      LEU  40  -2.936   3.407  -4.288
  130   3HD2  LEU  40          3HD2      LEU  40  -3.740   1.944  -3.646
  131    H    THR  41           H        THR  41  -9.597   3.118  -4.714
  132    HA   THR  41           HA       THR  41 -10.276   5.275  -2.872
  133    HB   THR  41           HB       THR  41 -12.536   4.776  -4.095
  134    HG1  THR  41           1HG      THR  41 -12.122   2.730  -4.855
  135   1HG2  THR  41          1HG2      THR  41 -10.063   5.617  -5.667
  136   2HG2  THR  41          2HG2      THR  41 -11.735   5.834  -6.214
  137   3HG2  THR  41          3HG2      THR  41 -11.157   6.669  -4.757
  138    H    GLY  42           H        GLY  42  -9.898   1.915  -2.687
  139   1HA   GLY  42          1HA       GLY  42 -10.325   0.624  -0.869
  140   2HA   GLY  42          2HA       GLY  42 -11.637   1.673  -0.307
  141    H    ALA  43           H        ALA  43 -11.582  -1.149  -0.860
  142    HA   ALA  43           HA       ALA  43 -14.048  -1.402  -2.436
  143   1HB   ALA  43          1HB       ALA  43 -11.478  -2.718  -3.410
  144   2HB   ALA  43          2HB       ALA  43 -13.095  -3.313  -3.833
  145   3HB   ALA  43          3HB       ALA  43 -12.596  -1.676  -4.295
  146    H    SER  44           H        SER  44 -11.616  -3.866  -1.559
  147    HA   SER  44           HA       SER  44 -13.523  -5.070   0.408
  148   1HB   SER  44          2HB       SER  44 -10.985  -6.103  -0.901
  149   2HB   SER  44          3HB       SER  44 -11.845  -6.944   0.397
  150    HG   SER  44           HG       SER  44 -13.209  -6.083  -1.921
  151    H    ALA  45           H        ALA  45 -11.410  -2.594   0.478
  152    HA   ALA  45           HA       ALA  45 -10.540  -2.974   3.224
  153   1HB   ALA  45          1HB       ALA  45  -8.568  -2.609   0.903
  154   2HB   ALA  45          2HB       ALA  45  -8.150  -2.787   2.612
  155   3HB   ALA  45          3HB       ALA  45  -8.844  -4.149   1.744
  156    HA   PRO  46           HA       PRO  46 -11.249   1.355   3.043
  157   1HB   PRO  46          2HB       PRO  46  -9.288   2.560   4.596
  158   2HB   PRO  46          3HB       PRO  46 -10.650   1.605   5.244
  159   1HG   PRO  46          2HG       PRO  46  -7.803   0.749   4.806
  160   2HG   PRO  46          3HG       PRO  46  -8.892   0.367   6.169
  161   1HD   PRO  46          2HD       PRO  46  -8.365  -1.310   4.069
  162   2HD   PRO  46          3HD       PRO  46  -9.904  -1.382   4.969
  163    H    ALA  47           H        ALA  47 -10.424   3.536   2.314
  164    HA   ALA  47           HA       ALA  47  -8.979   3.178  -0.173
  165   1HB   ALA  47          1HB       ALA  47 -10.936   4.700   0.225
  166   2HB   ALA  47          2HB       ALA  47  -9.883   5.746   1.188
  167   3HB   ALA  47          3HB       ALA  47  -9.532   5.490  -0.538
  168    H    ILE  48           H        ILE  48  -6.850   3.375  -0.493
  169    HA   ILE  48           HA       ILE  48  -5.149   4.671   1.618
  170    HB   ILE  48           HB       ILE  48  -3.300   3.289   0.844
  171   1HG1  ILE  48          2HG1      ILE  48  -5.302   1.663  -0.754
  172   2HG1  ILE  48          3HG1      ILE  48  -4.226   2.875  -1.464
  173   1HG2  ILE  48          1HG2      ILE  48  -4.551   2.658   2.806
  174   2HG2  ILE  48          2HG2      ILE  48  -5.777   1.830   1.835
  175   3HG2  ILE  48          3HG2      ILE  48  -4.126   1.195   1.915
  176   1HD1  ILE  48          1HD1      ILE  48  -2.244   1.682  -0.640
  177   2HD1  ILE  48          2HD1      ILE  48  -3.290   0.403   0.017
  178   3HD1  ILE  48          3HD1      ILE  48  -3.228   0.682  -1.723
  179    H    ASP  49           H        ASP  49  -6.525   5.232  -1.389
  180    HA   ASP  49           HA       ASP  49  -4.740   6.505  -2.988
  181   1HB   ASP  49          2HB       ASP  49  -7.102   6.549  -3.427
  182   2HB   ASP  49          3HB       ASP  49  -7.437   7.426  -1.922
  183    H    LYS  50           H        LYS  50  -5.842   7.760   0.200
  184    HA   LYS  50           HA       LYS  50  -4.151  10.155  -0.117
  185   1HB   LYS  50          2HB       LYS  50  -6.713  10.029   0.612
  186   2HB   LYS  50          3HB       LYS  50  -6.040   9.574   2.172
  187   1HG   LYS  50          2HG       LYS  50  -5.943  11.824   2.547
  188   2HG   LYS  50          3HG       LYS  50  -4.469  11.728   1.583
  189   1HD   LYS  50          2HD       LYS  50  -5.279  13.163   0.169
  190   2HD   LYS  50          3HD       LYS  50  -6.464  11.979  -0.375
  191   1HE   LYS  50          2HE       LYS  50  -7.956  12.885   1.575
  192   2HE   LYS  50          3HE       LYS  50  -6.718  14.142   1.774
  193   1HZ   LYS  50          1HZ       LYS  50  -7.086  14.590  -0.654
  194   2HZ   LYS  50          2HZ       LYS  50  -8.442  13.668  -0.551
  195   3HZ   LYS  50          3HZ       LYS  50  -8.314  15.036   0.361
  196    H    ALA  51           H        ALA  51  -3.234   7.199   0.638
  197    HA   ALA  51           HA       ALA  51  -2.778   7.084   3.397
  198   1HB   ALA  51          1HB       ALA  51  -1.112   5.840   1.191
  199   2HB   ALA  51          2HB       ALA  51  -1.086   5.395   2.915
  200   3HB   ALA  51          3HB       ALA  51  -2.553   5.134   1.975
  201    H    GLY  52           H        GLY  52  -0.577   8.381   0.801
  202   1HA   GLY  52          1HA       GLY  52   1.608   8.981   2.388
  203   2HA   GLY  52          2HA       GLY  52   1.098   9.910   0.958
  204    H    ALA  53           H        ALA  53  -1.497  10.658   2.364
  205    HA   ALA  53           HA       ALA  53  -0.381  13.080   3.655
  206   1HB   ALA  53          1HB       ALA  53  -2.332  13.189   2.066
  207   2HB   ALA  53          2HB       ALA  53  -3.275  12.291   3.289
  208   3HB   ALA  53          3HB       ALA  53  -2.630  13.891   3.672
  209    H    ASN  54           H        ASN  54  -2.253  10.135   4.429
  210    HA   ASN  54           HA       ASN  54  -2.771  10.809   7.192
  211   1HB   ASN  54          2HB       ASN  54  -2.749   8.169   5.665
  212   2HB   ASN  54          3HB       ASN  54  -3.038   8.266   7.398
  213   1HD2  ASN  54          1HD2      ASN  54  -4.563   8.514   4.324
  214   2HD2  ASN  54          2HD2      ASN  54  -6.121   9.017   4.963
  215    H    TYR  55           H        TYR  55  -0.259   8.810   5.597
  216    HA   TYR  55           HA       TYR  55   1.394   8.780   8.067
  217   1HB   TYR  55          2HB       TYR  55   0.772   6.383   6.312
  218   2HB   TYR  55          3HB       TYR  55   1.609   6.388   7.861
  219    HD1  TYR  55           HD1      TYR  55  -1.054   4.953   6.596
  220    HD2  TYR  55           HD2      TYR  55  -0.158   7.836   9.678
  221    HE1  TYR  55           HE1      TYR  55  -3.147   4.354   7.784
  222    HE2  TYR  55           HE2      TYR  55  -2.305   7.315  10.785
  223    HH   TYR  55           HH       TYR  55  -4.250   6.063  10.703
  224    H    SER  56           H        SER  56   3.633   8.574   7.596
  225    HA   SER  56           HA       SER  56   4.392   9.511   4.921
  226   1HB   SER  56          2HB       SER  56   5.362   9.961   7.466
  227   2HB   SER  56          3HB       SER  56   6.544   8.802   6.857
  228    HG   SER  56           HG       SER  56   6.887  10.240   5.074
  229    H    GLU  57           H        GLU  57   6.485   8.459   3.950
  230    HA   GLU  57           HA       GLU  57   5.918   5.898   2.978
  231   1HB   GLU  57          2HB       GLU  57   8.276   5.796   2.290
  232   2HB   GLU  57          3HB       GLU  57   7.366   7.173   1.697
  233   1HG   GLU  57          2HG       GLU  57   9.116   7.489   4.130
  234   2HG   GLU  57          3HG       GLU  57   9.751   7.495   2.492
  235    H    GLU  58           H        GLU  58   8.070   6.808   5.686
  236    HA   GLU  58           HA       GLU  58   8.966   4.196   6.285
  237   1HB   GLU  58          2HB       GLU  58   8.848   6.831   7.740
  238   2HB   GLU  58          3HB       GLU  58   9.204   5.382   8.686
  239   1HG   GLU  58          2HG       GLU  58  11.114   4.836   7.393
  240   2HG   GLU  58          3HG       GLU  58  10.687   5.963   6.095
  241    H    GLU  59           H        GLU  59   5.810   5.650   6.962
  242    HA   GLU  59           HA       GLU  59   5.194   3.631   9.042
  243   1HB   GLU  59          2HB       GLU  59   3.699   5.970   7.831
  244   2HB   GLU  59          3HB       GLU  59   3.031   4.899   9.084
  245   1HG   GLU  59          2HG       GLU  59   4.764   5.599  10.654
  246   2HG   GLU  59          3HG       GLU  59   5.578   6.559   9.407
  247    H    ILE  60           H        ILE  60   4.176   4.686   5.746
  248    HA   ILE  60           HA       ILE  60   2.226   2.643   5.412
  249    HB   ILE  60           HB       ILE  60   3.794   4.176   3.318
  250   1HG1  ILE  60          2HG1      ILE  60   0.986   4.500   4.454
  251   2HG1  ILE  60          3HG1      ILE  60   2.373   5.466   4.915
  252   1HG2  ILE  60          1HG2      ILE  60   1.607   3.351   1.964
  253   2HG2  ILE  60          2HG2      ILE  60   3.040   2.346   2.112
  254   3HG2  ILE  60          3HG2      ILE  60   1.637   2.050   3.153
  255   1HD1  ILE  60          1HD1      ILE  60   2.677   6.218   2.555
  256   2HD1  ILE  60          2HD1      ILE  60   1.147   5.406   2.136
  257   3HD1  ILE  60          3HD1      ILE  60   1.158   6.719   3.312
  258    H    LEU  61           H        LEU  61   5.697   2.832   4.596
  259    HA   LEU  61           HA       LEU  61   6.000   0.359   3.339
  260   1HB   LEU  61          2HB       LEU  61   7.811   2.008   3.406
  261   2HB   LEU  61          3HB       LEU  61   7.925   1.856   5.167
  262    HG   LEU  61           HG       LEU  61   8.658  -0.488   4.942
  263   1HD1  LEU  61          1HD1      LEU  61   8.416   0.035   1.953
  264   2HD1  LEU  61          2HD1      LEU  61   9.273  -1.352   2.657
  265   3HD1  LEU  61          3HD1      LEU  61   7.532  -1.175   2.888
  266   1HD2  LEU  61          1HD2      LEU  61  10.241   1.473   3.246
  267   2HD2  LEU  61          2HD2      LEU  61  10.333   1.274   5.008
  268   3HD2  LEU  61          3HD2      LEU  61  10.865  -0.040   3.945
  269    H    ASP  62           H        ASP  62   6.221   1.192   6.862
  270    HA   ASP  62           HA       ASP  62   6.689  -1.455   7.679
  271   1HB   ASP  62          2HB       ASP  62   6.875   0.754   9.019
  272   2HB   ASP  62          3HB       ASP  62   5.153   0.544   9.368
  273    H    ILE  63           H        ILE  63   3.555   0.313   7.199
  274    HA   ILE  63           HA       ILE  63   1.936  -1.935   7.960
  275    HB   ILE  63           HB       ILE  63   1.353   0.396   6.105
  276   1HG1  ILE  63          2HG1      ILE  63   0.368  -0.112   8.924
  277   2HG1  ILE  63          3HG1      ILE  63   1.837   0.801   8.556
  278   1HG2  ILE  63          1HG2      ILE  63  -0.191  -1.342   5.448
  279   2HG2  ILE  63          2HG2      ILE  63  -0.451  -1.835   7.137
  280   3HG2  ILE  63          3HG2      ILE  63  -1.088  -0.299   6.548
  281   1HD1  ILE  63          1HD1      ILE  63  -0.955   1.589   7.664
  282   2HD1  ILE  63          2HD1      ILE  63   0.044   2.361   8.899
  283   3HD1  ILE  63          3HD1      ILE  63   0.551   2.415   7.203
  284    H    ILE  64           H        ILE  64   3.515  -1.229   4.827
  285    HA   ILE  64           HA       ILE  64   2.176  -3.417   3.462
  286    HB   ILE  64           HB       ILE  64   4.719  -1.875   2.869
  287   1HG1  ILE  64          2HG1      ILE  64   2.091  -1.825   1.359
  288   2HG1  ILE  64          3HG1      ILE  64   2.293  -0.824   2.791
  289   1HG2  ILE  64          1HG2      ILE  64   4.985  -4.028   1.786
  290   2HG2  ILE  64          2HG2      ILE  64   3.299  -4.010   1.229
  291   3HG2  ILE  64          3HG2      ILE  64   4.478  -2.868   0.557
  292   1HD1  ILE  64          1HD1      ILE  64   4.259   0.274   1.835
  293   2HD1  ILE  64          2HD1      ILE  64   4.093  -0.666   0.339
  294   3HD1  ILE  64          3HD1      ILE  64   2.830   0.479   0.821
  295    H    LEU  65           H        LEU  65   5.317  -3.087   5.104
  296    HA   LEU  65           HA       LEU  65   6.201  -5.752   4.619
  297   1HB   LEU  65          2HB       LEU  65   7.021  -3.639   6.637
  298   2HB   LEU  65          3HB       LEU  65   7.841  -5.183   6.472
  299    HG   LEU  65           HG       LEU  65   7.613  -3.069   4.283
  300   1HD1  LEU  65          1HD1      LEU  65   9.998  -3.924   5.980
  301   2HD1  LEU  65          2HD1      LEU  65   9.999  -2.678   4.719
  302   3HD1  LEU  65          3HD1      LEU  65   9.069  -2.432   6.209
  303   1HD2  LEU  65          1HD2      LEU  65   7.836  -5.254   3.212
  304   2HD2  LEU  65          2HD2      LEU  65   9.379  -4.403   3.130
  305   3HD2  LEU  65          3HD2      LEU  65   9.155  -5.692   4.328
  306    H    ASN  66           H        ASN  66   3.993  -4.516   7.160
  307    HA   ASN  66           HA       ASN  66   4.394  -7.110   8.654
  308   1HB   ASN  66          2HB       ASN  66   3.820  -4.409   9.903
  309   2HB   ASN  66          3HB       ASN  66   4.081  -5.947  10.725
  310   1HD2  ASN  66          1HD2      ASN  66   5.578  -3.381   8.918
  311   2HD2  ASN  66          2HD2      ASN  66   7.102  -3.404   9.724
  312    H    GLY  67           H        GLY  67   2.568  -5.881   6.635
  313   1HA   GLY  67          1HA       GLY  67   0.303  -5.300   6.184
  314   2HA   GLY  67          2HA       GLY  67   0.006  -6.823   6.865
  315    H    GLN  68           H        GLN  68  -1.966  -6.181   8.060
  316    HA   GLN  68           HA       GLN  68  -1.949  -4.992  10.545
  317   1HB   GLN  68          2HB       GLN  68  -1.252  -2.849   9.712
  318   2HB   GLN  68          3HB       GLN  68  -2.441  -2.874   8.402
  319   1HG   GLN  68          2HG       GLN  68  -4.200  -2.455   9.985
  320   2HG   GLN  68          3HG       GLN  68  -3.162  -2.840  11.361
  321   1HE2  GLN  68          1HE2      GLN  68  -4.480  -0.217   9.665
  322   2HE2  GLN  68          2HE2      GLN  68  -3.275   0.975  10.141
  323    H    GLY  69           H        GLY  69  -4.087  -5.273  11.536
  324   1HA   GLY  69          1HA       GLY  69  -5.997  -6.479  11.637
  325   2HA   GLY  69          2HA       GLY  69  -6.553  -5.269  10.472
  326    H    GLY  70           H        GLY  70  -7.517  -6.206   8.744
  327   1HA   GLY  70          1HA       GLY  70  -7.335  -9.005   8.107
  328   2HA   GLY  70          2HA       GLY  70  -8.139  -7.745   7.160
  329    H    MET  71           H        MET  71  -5.317  -6.303   7.222
  330    HA   MET  71           HA       MET  71  -4.588  -7.171   4.601
  331   1HB   MET  71          1HB       MET  71  -4.476  -4.841   5.524
  332   2HB   MET  71          2HB       MET  71  -3.091  -5.311   6.472
  333   1HG   MET  71          1HG       MET  71  -1.760  -5.860   4.689
  334   2HG   MET  71          2HG       MET  71  -3.042  -5.743   3.497
  335   1HE   MET  71          1HE       MET  71  -0.215  -2.976   3.081
  336   2HE   MET  71          2HE       MET  71  -0.001  -4.420   4.092
  337   3HE   MET  71          3HE       MET  71  -0.847  -4.569   2.552
  338    HA   PRO  72           HA       PRO  72  -1.730 -10.211   6.370
  339   1HB   PRO  72          2HB       PRO  72  -0.918 -11.463   4.060
  340   2HB   PRO  72          3HB       PRO  72  -2.431 -11.709   4.965
  341   1HG   PRO  72          2HG       PRO  72  -1.920 -10.076   2.454
  342   2HG   PRO  72          3HG       PRO  72  -3.345 -11.089   2.798
  343   1HD   PRO  72          2HD       PRO  72  -3.232  -8.300   3.137
  344   2HD   PRO  72          3HD       PRO  72  -4.359  -9.355   3.988
  345    H    GLY  73           H        GLY  73   0.075  -9.486   7.096
  346   1HA   GLY  73          1HA       GLY  73   1.733  -7.709   5.888
  347   2HA   GLY  73          2HA       GLY  73   2.309  -8.758   7.231
  348    H    GLY  74           H        GLY  74   3.338  -7.350   4.753
  349   1HA   GLY  74          1HA       GLY  74   5.316  -7.847   3.557
  350   2HA   GLY  74          2HA       GLY  74   5.200  -9.542   4.056
  351    H    ILE  75           H        ILE  75   2.670  -7.671   2.497
  352    HA   ILE  75           HA       ILE  75   2.129  -9.501   0.394
  353    HB   ILE  75           HB       ILE  75   1.286  -6.784   1.302
  354   1HG1  ILE  75          2HG1      ILE  75  -0.416  -8.898   0.005
  355   2HG1  ILE  75          3HG1      ILE  75   0.215  -9.130   1.636
  356   1HG2  ILE  75          1HG2      ILE  75   1.760  -6.292  -1.193
  357   2HG2  ILE  75          2HG2      ILE  75   0.851  -7.745  -1.621
  358   3HG2  ILE  75          3HG2      ILE  75   0.035  -6.364  -0.899
  359   1HD1  ILE  75          1HD1      ILE  75  -1.148  -6.533   0.917
  360   2HD1  ILE  75          2HD1      ILE  75  -2.091  -7.961   1.340
  361   3HD1  ILE  75          3HD1      ILE  75  -0.941  -7.249   2.501
  362    H    ALA  76           H        ALA  76   3.811  -6.328   0.156
  363    HA   ALA  76           HA       ALA  76   5.495  -7.404  -2.066
  364   1HB   ALA  76          1HB       ALA  76   5.985  -5.029  -2.502
  365   2HB   ALA  76          2HB       ALA  76   4.247  -5.348  -2.591
  366   3HB   ALA  76          3HB       ALA  76   4.931  -4.550  -1.158
  367    H    LYS  77           H        LYS  77   7.824  -6.822  -1.909
  368    HA   LYS  77           HA       LYS  77   8.916  -6.262   0.795
  369   1HB   LYS  77          2HB       LYS  77   9.109  -8.821  -0.785
  370   2HB   LYS  77          3HB       LYS  77  10.567  -8.291   0.039
  371   1HG   LYS  77          2HG       LYS  77   8.018  -8.320   1.635
  372   2HG   LYS  77          3HG       LYS  77   8.752  -9.868   1.200
  373   1HD   LYS  77          2HD       LYS  77  10.837  -9.323   2.309
  374   2HD   LYS  77          3HD       LYS  77  10.391  -7.622   2.445
  375   1HE   LYS  77          2HE       LYS  77  10.172  -8.636   4.634
  376   2HE   LYS  77          3HE       LYS  77   8.590  -8.142   4.023
  377   1HZ   LYS  77          1HZ       LYS  77   8.550 -10.612   3.233
  378   2HZ   LYS  77          2HZ       LYS  77   9.633 -10.817   4.458
  379   3HZ   LYS  77          3HZ       LYS  77   8.143 -10.200   4.769
  380    H    GLY  78           H        GLY  78  11.255  -5.755   0.717
  381   1HA   GLY  78          1HA       GLY  78  13.021  -4.564  -0.154
  382   2HA   GLY  78          2HA       GLY  78  12.756  -5.498  -1.639
  383    H    ALA  79           H        ALA  79  13.230  -3.715  -3.016
  384    HA   ALA  79           HA       ALA  79  12.068  -1.167  -2.957
  385   1HB   ALA  79          1HB       ALA  79  12.842  -2.850  -5.371
  386   2HB   ALA  79          2HB       ALA  79  12.503  -1.106  -5.387
  387   3HB   ALA  79          3HB       ALA  79  13.889  -1.723  -4.470
  388    H    GLU  80           H        GLU  80  10.584  -4.254  -3.841
  389    HA   GLU  80           HA       GLU  80   8.391  -3.252  -5.341
  390   1HB   GLU  80          2HB       GLU  80   9.296  -5.747  -4.745
  391   2HB   GLU  80          3HB       GLU  80   8.032  -5.594  -3.514
  392   1HG   GLU  80          2HG       GLU  80   6.404  -5.099  -5.279
  393   2HG   GLU  80          3HG       GLU  80   7.669  -5.318  -6.507
  394    H    ALA  81           H        ALA  81   9.068  -3.493  -1.859
  395    HA   ALA  81           HA       ALA  81   6.403  -2.435  -1.119
  396   1HB   ALA  81          1HB       ALA  81   7.181  -2.634   1.159
  397   2HB   ALA  81          2HB       ALA  81   7.464  -4.147   0.297
  398   3HB   ALA  81          3HB       ALA  81   8.822  -3.051   0.622
  399    H    GLU  82           H        GLU  82   9.866  -1.415  -0.884
  400    HA   GLU  82           HA       GLU  82   9.361   1.094   0.274
  401   1HB   GLU  82          2HB       GLU  82  11.681   0.290  -1.518
  402   2HB   GLU  82          3HB       GLU  82  11.619   1.703  -0.504
  403   1HG   GLU  82          2HG       GLU  82  11.255   0.206   1.498
  404   2HG   GLU  82          3HG       GLU  82  11.552  -1.192   0.456
  405    H    ALA  83           H        ALA  83   9.669   0.340  -3.235
  406    HA   ALA  83           HA       ALA  83   9.450   3.037  -4.120
  407   1HB   ALA  83          1HB       ALA  83  10.192   1.139  -5.560
  408   2HB   ALA  83          2HB       ALA  83   8.526   0.513  -5.569
  409   3HB   ALA  83          3HB       ALA  83   8.888   2.091  -6.291
  410    H    VAL  84           H        VAL  84   7.001   0.481  -3.554
  411    HA   VAL  84           HA       VAL  84   4.707   1.972  -4.314
  412    HB   VAL  84           HB       VAL  84   5.124  -0.373  -2.428
  413   1HG1  VAL  84          1HG1      VAL  84   2.629  -0.648  -2.625
  414   2HG1  VAL  84          2HG1      VAL  84   3.139   0.700  -1.593
  415   3HG1  VAL  84          3HG1      VAL  84   2.551   1.020  -3.232
  416   1HG2  VAL  84          1HG2      VAL  84   4.043  -1.561  -4.292
  417   2HG2  VAL  84          2HG2      VAL  84   3.939  -0.046  -5.213
  418   3HG2  VAL  84          3HG2      VAL  84   5.514  -0.746  -4.858
  419    H    ALA  85           H        ALA  85   6.055   1.484  -1.041
  420    HA   ALA  85           HA       ALA  85   4.368   3.205   0.341
  421   1HB   ALA  85          1HB       ALA  85   7.343   2.918   0.941
  422   2HB   ALA  85          2HB       ALA  85   6.023   3.279   2.068
  423   3HB   ALA  85          3HB       ALA  85   6.135   1.673   1.316
  424    H    ALA  86           H        ALA  86   7.517   4.087  -1.157
  425    HA   ALA  86           HA       ALA  86   7.458   6.851  -0.471
  426   1HB   ALA  86          1HB       ALA  86   9.183   7.088  -2.200
  427   2HB   ALA  86          2HB       ALA  86   9.482   5.667  -1.179
  428   3HB   ALA  86          3HB       ALA  86   8.814   5.461  -2.814
  429    H    TRP  87           H        TRP  87   6.407   5.170  -3.438
  430    HA   TRP  87           HA       TRP  87   5.554   7.431  -4.911
  431   1HB   TRP  87          2HB       TRP  87   5.930   5.218  -5.824
  432   2HB   TRP  87          3HB       TRP  87   4.644   4.542  -4.824
  433    HD1  TRP  87           HD1      TRP  87   5.145   6.800  -7.845
  434    HE1  TRP  87           HE1      TRP  87   3.121   6.563  -9.406
  435    HE3  TRP  87           HE3      TRP  87   2.175   4.022  -4.802
  436    HZ2  TRP  87           HZ2      TRP  87   0.489   5.305  -9.305
  437    HZ3  TRP  87           HZ3      TRP  87  -0.116   3.389  -5.492
  438    HH2  TRP  87           HH2      TRP  87  -0.945   3.961  -7.771
  439    H    LEU  88           H        LEU  88   3.734   5.262  -2.696
  440    HA   LEU  88           HA       LEU  88   1.375   6.887  -2.791
  441   1HB   LEU  88          2HB       LEU  88   2.223   4.585  -1.095
  442   2HB   LEU  88          3HB       LEU  88   1.024   5.673  -0.416
  443    HG   LEU  88           HG       LEU  88   0.283   5.141  -3.194
  444   1HD1  LEU  88          1HD1      LEU  88   1.545   3.093  -2.870
  445   2HD1  LEU  88          2HD1      LEU  88   0.563   2.713  -1.430
  446   3HD1  LEU  88          3HD1      LEU  88  -0.208   2.818  -3.041
  447   1HD2  LEU  88          1HD2      LEU  88  -1.819   4.475  -2.174
  448   2HD2  LEU  88          2HD2      LEU  88  -1.058   4.364  -0.578
  449   3HD2  LEU  88          3HD2      LEU  88  -1.227   5.947  -1.381
  450    H    ALA  89           H        ALA  89   4.283   7.166  -0.779
  451    HA   ALA  89           HA       ALA  89   3.281   9.114   1.000
  452   1HB   ALA  89          1HB       ALA  89   5.467   9.703   1.479
  453   2HB   ALA  89          2HB       ALA  89   5.539   8.001   0.999
  454   3HB   ALA  89          3HB       ALA  89   6.075   9.279  -0.123
  455    H    GLU  90           H        GLU  90   4.575   9.423  -2.323
  456    HA   GLU  90           HA       GLU  90   3.947  12.236  -2.556
  457   1HB   GLU  90          2HB       GLU  90   4.688  10.079  -4.532
  458   2HB   GLU  90          3HB       GLU  90   4.129  11.667  -5.082
  459   1HG   GLU  90          2HG       GLU  90   5.887  12.806  -3.876
  460   2HG   GLU  90          3HG       GLU  90   6.411  11.300  -3.096
  461    H    LYS  91           H        LYS  91   1.961   9.272  -3.219
  462    HA   LYS  91           HA       LYS  91  -0.093  10.867  -4.519
  463   1HB   LYS  91          2HB       LYS  91  -0.230   8.071  -3.367
  464   2HB   LYS  91          3HB       LYS  91  -1.524   8.836  -4.203
  465   1HG   LYS  91          2HG       LYS  91   0.528   9.274  -6.027
  466   2HG   LYS  91          3HG       LYS  91   1.044   7.772  -5.279
  467   1HD   LYS  91          2HD       LYS  91  -0.280   7.119  -7.148
  468   2HD   LYS  91          3HD       LYS  91  -1.256   6.818  -5.715
  469   1HE   LYS  91          2HE       LYS  91  -2.746   7.782  -7.292
  470   2HE   LYS  91          3HE       LYS  91  -2.407   9.097  -6.173
  471   1HZ   LYS  91          1HZ       LYS  91  -0.746   9.881  -7.786
  472   2HZ   LYS  91          2HZ       LYS  91  -1.222   8.704  -8.838
  473   3HZ   LYS  91          3HZ       LYS  91  -2.280   9.874  -8.375
  474    H    LYS  92           H        LYS  92  -1.377  12.322  -3.610
  475    HA   LYS  92           HA       LYS  92  -2.506  12.001  -0.930
  476   1HB   LYS  92          2HB       LYS  92  -1.157  14.501  -2.040
  477   2HB   LYS  92          3HB       LYS  92  -1.977  14.381  -0.477
  478   1HG   LYS  92          2HG       LYS  92  -0.217  12.988   0.430
  479   2HG   LYS  92          3HG       LYS  92   0.490  12.722  -1.163
  480   1HD   LYS  92          2HD       LYS  92   0.912  15.206  -1.354
  481   2HD   LYS  92          3HD       LYS  92   0.476  15.335   0.370
  482   1HE   LYS  92          2HE       LYS  92   2.256  13.614   0.880
  483   2HE   LYS  92          3HE       LYS  92   2.656  13.558  -0.851
  484   1HZ   LYS  92          1HZ       LYS  92   4.074  14.958   0.604
  485   2HZ   LYS  92          2HZ       LYS  92   3.553  15.624  -0.805
  486   3HZ   LYS  92          3HZ       LYS  92   2.852  16.064   0.624
  487    HHA  HEC  93           HHA      HEC  93  -5.093  -0.523   6.385
  488    HHB  HEC  93           HHB      HEC  93  -0.628   0.724   1.950
  489    HHC  HEC  93           HHC      HEC  93  -1.909  -5.041  -0.728
  490    HHD  HEC  93           HHD      HEC  93  -6.995  -5.701   3.101
  491   1HMA  HEC  93          1HMA      HEC  93  -0.289   2.032   4.761
  492   2HMA  HEC  93          2HMA      HEC  93  -0.908   2.583   3.186
  493   3HMA  HEC  93          3HMA      HEC  93  -1.671   3.145   4.654
  494   1HAA  HEC  93          1HAA      HEC  93  -2.847   2.515   6.407
  495   2HAA  HEC  93          2HAA      HEC  93  -3.489   1.094   7.198
  496   1HBA  HEC  93          1HBA      HEC  93  -5.548   1.968   6.999
  497   2HBA  HEC  93          2HBA      HEC  93  -5.451   1.761   5.245
  498   1HMB  HEC  93          1HMB      HEC  93   1.397  -0.636  -0.684
  499   2HMB  HEC  93          2HMB      HEC  93  -0.023   0.128  -1.420
  500   3HMB  HEC  93          3HMB      HEC  93   0.532   0.618   0.175
  501    HAB  HEC  93           HAB      HEC  93  -0.344  -4.173  -1.821
  502   1HBB  HEC  93          1HBB      HEC  93   1.663  -4.107  -0.427
  503   2HBB  HEC  93          2HBB      HEC  93   1.996  -3.993  -2.168
  504   3HBB  HEC  93          3HBB      HEC  93   2.130  -2.565  -1.148
  505   1HMC  HEC  93          1HMC      HEC  93  -4.293  -7.964  -0.901
  506   2HMC  HEC  93          2HMC      HEC  93  -4.027  -6.451  -1.792
  507   3HMC  HEC  93          3HMC      HEC  93  -2.697  -7.223  -0.894
  508    HAC  HEC  93           HAC      HEC  93  -7.187  -7.144   1.568
  509   1HBC  HEC  93          1HBC      HEC  93  -5.972  -8.894   2.423
  510   2HBC  HEC  93          2HBC      HEC  93  -6.502  -9.528   0.861
  511   3HBC  HEC  93          3HBC      HEC  93  -4.832  -8.957   1.065
  512   1HMD  HEC  93          1HMD      HEC  93  -7.912  -5.410   6.059
  513   2HMD  HEC  93          2HMD      HEC  93  -9.036  -4.066   5.789
  514   3HMD  HEC  93          3HMD      HEC  93  -8.644  -5.141   4.461
  515   1HAD  HEC  93          1HAD      HEC  93  -8.297  -2.394   7.064
  516   2HAD  HEC  93          2HAD      HEC  93  -7.173  -1.063   6.976
  517   1HBD  HEC  93          1HBD      HEC  93  -5.465  -2.850   7.983
  518   2HBD  HEC  93          2HBD      HEC  93  -6.955  -3.640   8.519
  Start of MODEL   21
    1   1H    VAL  22          H1        VAL  22  11.918   0.268  -9.894
    2   2H    VAL  22          H2        VAL  22  11.540   0.087  -8.315
    3   3H    VAL  22          H3        VAL  22  12.524  -1.036  -9.062
    4    HA   VAL  22           HA       VAL  22  10.642  -1.605 -10.502
    5    HB   VAL  22           HB       VAL  22  10.338  -1.855  -7.477
    6   1HG1  VAL  22          1HG1      VAL  22   8.565  -3.072  -9.633
    7   2HG1  VAL  22          2HG1      VAL  22   8.651  -3.648  -7.957
    8   3HG1  VAL  22          3HG1      VAL  22   8.089  -2.006  -8.287
    9   1HG2  VAL  22          1HG2      VAL  22  12.215  -3.117  -8.538
   10   2HG2  VAL  22          2HG2      VAL  22  10.966  -4.200  -7.907
   11   3HG2  VAL  22          3HG2      VAL  22  11.054  -3.880  -9.648
   12    H    ASP  23           H        ASP  23   8.558  -1.040 -11.212
   13    HA   ASP  23           HA       ASP  23   7.769   1.678 -10.658
   14   1HB   ASP  23          2HB       ASP  23   6.570  -0.523 -12.374
   15   2HB   ASP  23          3HB       ASP  23   5.945   1.130 -12.280
   16    H    ALA  24           H        ALA  24   7.122   1.936  -8.644
   17    HA   ALA  24           HA       ALA  24   5.675   0.549  -6.839
   18   1HB   ALA  24          1HB       ALA  24   5.365   3.461  -7.695
   19   2HB   ALA  24          2HB       ALA  24   4.671   2.775  -6.220
   20   3HB   ALA  24          3HB       ALA  24   6.439   2.815  -6.441
   21    H    GLU  25           H        GLU  25   4.166   2.532  -9.403
   22    HA   GLU  25           HA       GLU  25   1.492   1.837  -8.879
   23   1HB   GLU  25          2HB       GLU  25   1.209   2.369 -11.412
   24   2HB   GLU  25          3HB       GLU  25   1.603   3.638 -10.262
   25   1HG   GLU  25          2HG       GLU  25   3.901   3.721 -10.931
   26   2HG   GLU  25          3HG       GLU  25   3.694   2.283 -11.972
   27    H    ALA  26           H        ALA  26   3.862   0.189 -11.050
   28    HA   ALA  26           HA       ALA  26   1.981  -1.692 -12.103
   29   1HB   ALA  26          1HB       ALA  26   4.204  -1.175 -13.122
   30   2HB   ALA  26          2HB       ALA  26   4.976  -2.061 -11.779
   31   3HB   ALA  26          3HB       ALA  26   3.896  -2.911 -12.892
   32    H    VAL  27           H        VAL  27   4.103  -1.712  -9.243
   33    HA   VAL  27           HA       VAL  27   3.519  -4.416  -8.415
   34    HB   VAL  27           HB       VAL  27   4.361  -1.943  -6.834
   35   1HG1  VAL  27          1HG1      VAL  27   4.878  -3.562  -5.005
   36   2HG1  VAL  27          2HG1      VAL  27   3.146  -3.435  -5.286
   37   3HG1  VAL  27          3HG1      VAL  27   4.037  -4.821  -5.942
   38   1HG2  VAL  27          1HG2      VAL  27   6.511  -3.089  -6.775
   39   2HG2  VAL  27          2HG2      VAL  27   5.843  -4.455  -7.701
   40   3HG2  VAL  27          3HG2      VAL  27   5.991  -2.862  -8.459
   41    H    VAL  28           H        VAL  28   2.152  -1.261  -7.359
   42    HA   VAL  28           HA       VAL  28   0.211  -2.331  -5.659
   43    HB   VAL  28           HB       VAL  28   0.422   0.262  -7.220
   44   1HG1  VAL  28          1HG1      VAL  28  -1.828   0.402  -7.037
   45   2HG1  VAL  28          2HG1      VAL  28  -1.924  -0.733  -5.692
   46   3HG1  VAL  28          3HG1      VAL  28  -1.462   0.935  -5.390
   47   1HG2  VAL  28          1HG2      VAL  28   0.433   0.467  -4.314
   48   2HG2  VAL  28          2HG2      VAL  28   1.603  -0.747  -4.844
   49   3HG2  VAL  28          3HG2      VAL  28   1.689   0.883  -5.493
   50    H    GLN  29           H        GLN  29  -0.101  -1.480  -9.056
   51    HA   GLN  29           HA       GLN  29  -2.714  -2.166  -9.630
   52   1HB   GLN  29          2HB       GLN  29  -0.165  -2.321 -11.220
   53   2HB   GLN  29          3HB       GLN  29  -1.718  -2.733 -11.940
   54   1HG   GLN  29          2HG       GLN  29  -1.364  -0.060 -10.524
   55   2HG   GLN  29          3HG       GLN  29  -0.843  -0.305 -12.192
   56   1HE2  GLN  29          1HE2      GLN  29  -3.634   0.182 -10.101
   57   2HE2  GLN  29          2HE2      GLN  29  -4.804   0.164 -11.394
   58    H    GLN  30           H        GLN  30  -0.096  -4.371  -8.760
   59    HA   GLN  30           HA       GLN  30  -1.910  -6.690  -9.297
   60   1HB   GLN  30          2HB       GLN  30   1.098  -6.544  -9.691
   61   2HB   GLN  30          3HB       GLN  30   0.058  -7.953  -9.989
   62   1HG   GLN  30          2HG       GLN  30  -1.137  -6.757 -11.766
   63   2HG   GLN  30          3HG       GLN  30  -0.187  -5.290 -11.476
   64   1HE2  GLN  30          1HE2      GLN  30   2.178  -5.408 -11.624
   65   2HE2  GLN  30          2HE2      GLN  30   2.848  -6.470 -12.874
   66    H    LYS  31           H        LYS  31  -1.307  -4.998  -6.824
   67    HA   LYS  31           HA       LYS  31  -1.206  -7.374  -5.109
   68   1HB   LYS  31          2HB       LYS  31   1.010  -5.311  -5.089
   69   2HB   LYS  31          3HB       LYS  31   0.333  -5.796  -3.545
   70   1HG   LYS  31          2HG       LYS  31   1.875  -7.362  -3.550
   71   2HG   LYS  31          3HG       LYS  31   0.687  -8.274  -4.463
   72   1HD   LYS  31          2HD       LYS  31   2.187  -8.513  -6.137
   73   2HD   LYS  31          3HD       LYS  31   2.156  -6.777  -6.389
   74   1HE   LYS  31          2HE       LYS  31   4.437  -7.371  -6.025
   75   2HE   LYS  31          3HE       LYS  31   3.910  -6.514  -4.570
   76   1HZ   LYS  31          1HZ       LYS  31   4.167  -9.435  -4.792
   77   2HZ   LYS  31          2HZ       LYS  31   5.245  -8.388  -4.132
   78   3HZ   LYS  31          3HZ       LYS  31   3.785  -8.597  -3.402
   79    H    CYS  32           H        CYS  32  -1.128  -3.761  -4.870
   80    HA   CYS  32           HA       CYS  32  -2.719  -4.020  -2.464
   81   1HB   CYS  32          2HB       CYS  32  -2.345  -1.366  -3.769
   82   2HB   CYS  32          3HB       CYS  32  -2.417  -1.773  -2.083
   83    H    ILE  33           H        ILE  33  -3.342  -2.862  -5.770
   84    HA   ILE  33           HA       ILE  33  -5.981  -2.031  -5.278
   85    HB   ILE  33           HB       ILE  33  -6.395  -2.197  -7.638
   86   1HG1  ILE  33          2HG1      ILE  33  -4.514  -2.973  -9.148
   87   2HG1  ILE  33          3HG1      ILE  33  -4.010  -4.034  -7.815
   88   1HG2  ILE  33          1HG2      ILE  33  -4.686  -0.739  -8.465
   89   2HG2  ILE  33          2HG2      ILE  33  -4.904  -0.386  -6.750
   90   3HG2  ILE  33          3HG2      ILE  33  -3.513  -1.334  -7.289
   91   1HD1  ILE  33          1HD1      ILE  33  -6.233  -5.179  -8.087
   92   2HD1  ILE  33          2HD1      ILE  33  -6.719  -3.916  -9.240
   93   3HD1  ILE  33          3HD1      ILE  33  -5.398  -5.026  -9.633
   94    H    SER  34           H        SER  34  -4.706  -5.238  -5.569
   95    HA   SER  34           HA       SER  34  -6.846  -6.811  -6.327
   96   1HB   SER  34          2HB       SER  34  -4.433  -7.451  -5.644
   97   2HB   SER  34          3HB       SER  34  -5.056  -7.526  -3.981
   98    HG   SER  34           HG       SER  34  -5.114  -9.540  -5.154
   99    H    CYS  35           H        CYS  35  -6.335  -5.116  -3.243
  100    HA   CYS  35           HA       CYS  35  -9.087  -5.939  -2.370
  101   1HB   CYS  35          2HB       CYS  35  -6.823  -5.011  -0.612
  102   2HB   CYS  35          3HB       CYS  35  -8.376  -5.714  -0.118
  103    H    HIS  36           HN       HIS  36  -6.636  -3.315  -2.412
  104    HA   HIS  36           HA       HIS  36  -8.423  -1.318  -1.348
  105   1HB   HIS  36          2HB       HIS  36  -5.684  -1.252  -2.672
  106   2HB   HIS  36          3HB       HIS  36  -6.518   0.177  -2.106
  107    HD1  HIS  36           HD1      HIS  36  -7.061   0.309   0.568
  108    HD2  HIS  36           HD2      HIS  36  -4.403  -2.675  -0.721
  109    HE1  HIS  36           1HE      HIS  36  -5.823  -0.459   2.630
  110    H    GLY  37           H        GLY  37  -8.319  -2.704  -4.480
  111   1HA   GLY  37          1HA       GLY  37  -9.886  -2.286  -6.112
  112   2HA   GLY  37          2HA       GLY  37 -10.230  -0.673  -5.457
  113    H    GLY  38           H        GLY  38  -9.619  -1.373  -8.223
  114   1HA   GLY  38          1HA       GLY  38  -7.170  -1.044  -9.345
  115   2HA   GLY  38          2HA       GLY  38  -8.622  -0.254  -9.950
  116    H    ASP  39           H        ASP  39  -9.106   1.529  -7.870
  117    HA   ASP  39           HA       ASP  39  -7.097   3.593  -8.522
  118   1HB   ASP  39          2HB       ASP  39 -10.026   3.734  -7.717
  119   2HB   ASP  39          3HB       ASP  39  -8.994   5.121  -8.106
  120    H    LEU  40           H        LEU  40  -7.525   1.555  -5.787
  121    HA   LEU  40           HA       LEU  40  -6.985   1.769  -3.687
  122   1HB   LEU  40          2HB       LEU  40  -5.547   4.350  -4.431
  123   2HB   LEU  40          3HB       LEU  40  -5.340   3.388  -2.990
  124    HG   LEU  40           HG       LEU  40  -3.525   2.921  -4.384
  125   1HD1  LEU  40          1HD1      LEU  40  -5.400   0.533  -4.643
  126   2HD1  LEU  40          2HD1      LEU  40  -3.640   0.504  -4.648
  127   3HD1  LEU  40          3HD1      LEU  40  -4.498   0.988  -3.183
  128   1HD2  LEU  40          1HD2      LEU  40  -5.214   1.963  -6.705
  129   2HD2  LEU  40          2HD2      LEU  40  -4.553   3.610  -6.585
  130   3HD2  LEU  40          3HD2      LEU  40  -3.476   2.208  -6.619
  131    H    THR  41           H        THR  41  -9.418   2.879  -4.736
  132    HA   THR  41           HA       THR  41 -10.273   5.099  -3.028
  133    HB   THR  41           HB       THR  41 -12.436   4.501  -4.366
  134    HG1  THR  41           1HG      THR  41 -11.967   2.459  -5.060
  135   1HG2  THR  41          1HG2      THR  41 -11.542   5.519  -6.462
  136   2HG2  THR  41          2HG2      THR  41 -11.047   6.404  -5.006
  137   3HG2  THR  41          3HG2      THR  41  -9.894   5.343  -5.831
  138    H    GLY  42           H        GLY  42  -9.831   1.737  -2.753
  139   1HA   GLY  42          1HA       GLY  42 -10.329   0.443  -0.975
  140   2HA   GLY  42          2HA       GLY  42 -11.659   1.489  -0.447
  141    H    ALA  43           H        ALA  43 -11.445  -1.432  -1.165
  142    HA   ALA  43           HA       ALA  43 -13.964  -1.624  -2.704
  143   1HB   ALA  43          1HB       ALA  43 -12.708  -2.056  -4.587
  144   2HB   ALA  43          2HB       ALA  43 -11.299  -2.628  -3.686
  145   3HB   ALA  43          3HB       ALA  43 -12.703  -3.689  -3.897
  146    H    SER  44           H        SER  44 -11.452  -3.919  -1.689
  147    HA   SER  44           HA       SER  44 -13.340  -5.216   0.216
  148   1HB   SER  44          2HB       SER  44 -12.191  -6.570  -1.634
  149   2HB   SER  44          3HB       SER  44 -10.676  -6.287  -0.751
  150    HG   SER  44           HG       SER  44 -11.808  -7.143   1.118
  151    H    ALA  45           H        ALA  45 -11.295  -2.692   0.373
  152    HA   ALA  45           HA       ALA  45 -10.235  -3.165   3.037
  153   1HB   ALA  45          1HB       ALA  45  -7.861  -2.826   2.194
  154   2HB   ALA  45          2HB       ALA  45  -8.599  -4.298   1.575
  155   3HB   ALA  45          3HB       ALA  45  -8.477  -2.856   0.545
  156    HA   PRO  46           HA       PRO  46 -10.940   1.158   3.029
  157   1HB   PRO  46          2HB       PRO  46  -9.115   2.266   4.752
  158   2HB   PRO  46          3HB       PRO  46 -10.372   1.109   5.277
  159   1HG   PRO  46          2HG       PRO  46  -7.482   0.533   4.618
  160   2HG   PRO  46          3HG       PRO  46  -8.413   0.001   6.046
  161   1HD   PRO  46          2HD       PRO  46  -8.010  -1.543   3.840
  162   2HD   PRO  46          3HD       PRO  46  -9.517  -1.677   4.789
  163    H    ALA  47           H        ALA  47 -10.338   3.256   2.212
  164    HA   ALA  47           HA       ALA  47  -8.757   3.017  -0.153
  165   1HB   ALA  47          1HB       ALA  47 -10.072   5.439   1.120
  166   2HB   ALA  47          2HB       ALA  47  -9.584   5.266  -0.593
  167   3HB   ALA  47          3HB       ALA  47 -10.880   4.260   0.098
  168    H    ILE  48           H        ILE  48  -6.580   3.163  -0.221
  169    HA   ILE  48           HA       ILE  48  -5.058   4.776   1.733
  170    HB   ILE  48           HB       ILE  48  -3.103   3.525   0.939
  171   1HG1  ILE  48          2HG1      ILE  48  -5.025   1.910  -0.789
  172   2HG1  ILE  48          3HG1      ILE  48  -3.807   3.069  -1.354
  173   1HG2  ILE  48          1HG2      ILE  48  -3.803   1.358   1.960
  174   2HG2  ILE  48          2HG2      ILE  48  -4.281   2.779   2.890
  175   3HG2  ILE  48          3HG2      ILE  48  -5.481   1.911   1.920
  176   1HD1  ILE  48          1HD1      ILE  48  -2.777   0.969  -1.606
  177   2HD1  ILE  48          2HD1      ILE  48  -2.061   1.641  -0.133
  178   3HD1  ILE  48          3HD1      ILE  48  -3.323   0.397  -0.026
  179    H    ASP  49           H        ASP  49  -6.413   5.179  -1.262
  180    HA   ASP  49           HA       ASP  49  -5.004   6.751  -2.876
  181   1HB   ASP  49          2HB       ASP  49  -7.223   6.633  -3.321
  182   2HB   ASP  49          3HB       ASP  49  -7.704   6.716  -1.632
  183    H    LYS  50           H        LYS  50  -5.918   7.883   0.456
  184    HA   LYS  50           HA       LYS  50  -3.936  10.101   0.156
  185   1HB   LYS  50          2HB       LYS  50  -5.221  11.322   1.854
  186   2HB   LYS  50          3HB       LYS  50  -6.093  11.090   0.364
  187   1HG   LYS  50          2HG       LYS  50  -6.553   8.907   2.357
  188   2HG   LYS  50          3HG       LYS  50  -7.044  10.502   2.942
  189   1HD   LYS  50          2HD       LYS  50  -8.550  10.871   1.154
  190   2HD   LYS  50          3HD       LYS  50  -7.735   9.689   0.154
  191   1HE   LYS  50          2HE       LYS  50  -8.735   8.152   2.325
  192   2HE   LYS  50          3HE       LYS  50 -10.011   9.313   1.940
  193   1HZ   LYS  50          1HZ       LYS  50 -10.339   7.505   0.500
  194   2HZ   LYS  50          2HZ       LYS  50  -9.510   8.579  -0.488
  195   3HZ   LYS  50          3HZ       LYS  50  -8.731   7.352   0.178
  196    H    ALA  51           H        ALA  51  -3.223   7.379   0.877
  197    HA   ALA  51           HA       ALA  51  -2.958   7.221   3.744
  198   1HB   ALA  51          1HB       ALA  51  -1.247   5.518   3.286
  199   2HB   ALA  51          2HB       ALA  51  -2.752   5.238   2.405
  200   3HB   ALA  51          3HB       ALA  51  -1.338   5.893   1.543
  201    H    GLY  52           H        GLY  52  -0.658   8.290   1.137
  202   1HA   GLY  52          1HA       GLY  52   1.474   9.160   2.664
  203   2HA   GLY  52          2HA       GLY  52   0.938   9.880   1.141
  204    H    ALA  53           H        ALA  53  -1.687  10.707   2.311
  205    HA   ALA  53           HA       ALA  53  -0.910  13.351   3.109
  206   1HB   ALA  53          1HB       ALA  53  -3.597  12.011   3.519
  207   2HB   ALA  53          2HB       ALA  53  -3.249  13.744   3.511
  208   3HB   ALA  53          3HB       ALA  53  -3.079  12.806   2.013
  209    H    ASN  54           H        ASN  54  -1.669  10.384   4.854
  210    HA   ASN  54           HA       ASN  54  -1.690  11.802   7.486
  211   1HB   ASN  54          2HB       ASN  54  -2.736   9.047   6.665
  212   2HB   ASN  54          3HB       ASN  54  -2.799   9.756   8.281
  213   1HD2  ASN  54          1HD2      ASN  54  -4.125  10.029   4.906
  214   2HD2  ASN  54          2HD2      ASN  54  -5.485  10.994   5.443
  215    H    TYR  55           H        TYR  55  -0.631   8.720   5.992
  216    HA   TYR  55           HA       TYR  55   1.330   8.306   8.148
  217   1HB   TYR  55          2HB       TYR  55   0.436   6.497   5.875
  218   2HB   TYR  55          3HB       TYR  55   1.406   6.011   7.267
  219    HD1  TYR  55           HD1      TYR  55  -1.543   5.223   6.020
  220    HD2  TYR  55           HD2      TYR  55  -0.062   7.212   9.556
  221    HE1  TYR  55           HE1      TYR  55  -3.606   4.598   7.257
  222    HE2  TYR  55           HE2      TYR  55  -2.124   6.611  10.757
  223    HH   TYR  55           HH       TYR  55  -4.103   5.420  10.687
  224    H    SER  56           H        SER  56   3.537   8.291   7.748
  225    HA   SER  56           HA       SER  56   4.335   9.564   5.198
  226   1HB   SER  56          2HB       SER  56   5.285  10.117   7.549
  227   2HB   SER  56          3HB       SER  56   6.267   8.654   7.337
  228    HG   SER  56           HG       SER  56   6.194  11.009   5.748
  229    H    GLU  57           H        GLU  57   6.339   8.676   4.074
  230    HA   GLU  57           HA       GLU  57   5.887   6.243   2.787
  231   1HB   GLU  57          2HB       GLU  57   7.464   7.922   1.972
  232   2HB   GLU  57          3HB       GLU  57   8.531   7.663   3.351
  233   1HG   GLU  57          2HG       GLU  57   8.016   5.185   1.828
  234   2HG   GLU  57          3HG       GLU  57   8.743   6.469   0.863
  235    H    GLU  58           H        GLU  58   8.214   6.813   5.425
  236    HA   GLU  58           HA       GLU  58   8.993   4.224   5.792
  237   1HB   GLU  58          2HB       GLU  58   9.773   6.553   6.740
  238   2HB   GLU  58          3HB       GLU  58   8.858   6.103   8.175
  239   1HG   GLU  58          2HG       GLU  58  10.505   4.634   8.817
  240   2HG   GLU  58          3HG       GLU  58  10.692   3.968   7.191
  241    H    GLU  59           H        GLU  59   5.976   5.686   7.002
  242    HA   GLU  59           HA       GLU  59   5.390   3.476   8.862
  243   1HB   GLU  59          2HB       GLU  59   3.807   5.883   7.867
  244   2HB   GLU  59          3HB       GLU  59   3.075   4.557   8.768
  245   1HG   GLU  59          2HG       GLU  59   4.702   4.933  10.627
  246   2HG   GLU  59          3HG       GLU  59   5.258   6.399   9.785
  247    H    ILE  60           H        ILE  60   4.325   4.654   5.623
  248    HA   ILE  60           HA       ILE  60   2.353   2.641   5.303
  249    HB   ILE  60           HB       ILE  60   3.865   4.121   3.152
  250   1HG1  ILE  60          2HG1      ILE  60   1.156   4.564   4.496
  251   2HG1  ILE  60          3HG1      ILE  60   2.599   5.495   4.785
  252   1HG2  ILE  60          1HG2      ILE  60   1.221   3.305   2.315
  253   2HG2  ILE  60          2HG2      ILE  60   2.778   2.814   1.656
  254   3HG2  ILE  60          3HG2      ILE  60   2.005   1.876   2.940
  255   1HD1  ILE  60          1HD1      ILE  60   2.599   5.953   2.199
  256   2HD1  ILE  60          2HD1      ILE  60   0.894   5.446   2.302
  257   3HD1  ILE  60          3HD1      ILE  60   1.461   6.829   3.241
  258    H    LEU  61           H        LEU  61   5.826   2.780   4.541
  259    HA   LEU  61           HA       LEU  61   6.127   0.286   3.307
  260   1HB   LEU  61          2HB       LEU  61   7.853   2.070   3.375
  261   2HB   LEU  61          3HB       LEU  61   8.076   1.797   5.101
  262    HG   LEU  61           HG       LEU  61   8.936  -0.434   4.705
  263   1HD1  LEU  61          1HD1      LEU  61   9.349  -1.171   2.278
  264   2HD1  LEU  61          2HD1      LEU  61   7.678  -1.264   2.840
  265   3HD1  LEU  61          3HD1      LEU  61   8.185   0.085   1.803
  266   1HD2  LEU  61          1HD2      LEU  61  10.481   1.492   4.529
  267   2HD2  LEU  61          2HD2      LEU  61  10.987   0.136   3.506
  268   3HD2  LEU  61          3HD2      LEU  61  10.200   1.555   2.776
  269    H    ASP  62           H        ASP  62   6.496   1.146   6.824
  270    HA   ASP  62           HA       ASP  62   6.890  -1.442   7.808
  271   1HB   ASP  62          2HB       ASP  62   7.060   0.609   9.185
  272   2HB   ASP  62          3HB       ASP  62   5.301   0.795   9.085
  273    H    ILE  63           H        ILE  63   3.715   0.193   7.192
  274    HA   ILE  63           HA       ILE  63   2.154  -2.114   7.992
  275    HB   ILE  63           HB       ILE  63   1.510   0.103   5.987
  276   1HG1  ILE  63          2HG1      ILE  63   0.698  -0.150   8.907
  277   2HG1  ILE  63          3HG1      ILE  63   2.013   0.868   8.317
  278   1HG2  ILE  63          1HG2      ILE  63  -0.821  -0.517   6.212
  279   2HG2  ILE  63          2HG2      ILE  63   0.043  -1.965   5.738
  280   3HG2  ILE  63          3HG2      ILE  63  -0.439  -1.736   7.431
  281   1HD1  ILE  63          1HD1      ILE  63  -0.913   1.214   7.597
  282   2HD1  ILE  63          2HD1      ILE  63   0.067   2.238   8.650
  283   3HD1  ILE  63          3HD1      ILE  63   0.441   2.157   6.921
  284    H    ILE  64           H        ILE  64   3.248  -1.178   4.686
  285    HA   ILE  64           HA       ILE  64   2.188  -3.410   3.345
  286    HB   ILE  64           HB       ILE  64   4.732  -1.827   2.857
  287   1HG1  ILE  64          2HG1      ILE  64   2.145  -1.751   1.281
  288   2HG1  ILE  64          3HG1      ILE  64   2.307  -0.780   2.733
  289   1HG2  ILE  64          1HG2      ILE  64   3.366  -3.920   1.122
  290   2HG2  ILE  64          2HG2      ILE  64   4.550  -2.752   0.504
  291   3HG2  ILE  64          3HG2      ILE  64   5.037  -3.942   1.714
  292   1HD1  ILE  64          1HD1      ILE  64   2.886   0.585   0.830
  293   2HD1  ILE  64          2HD1      ILE  64   4.326   0.329   1.813
  294   3HD1  ILE  64          3HD1      ILE  64   4.122  -0.565   0.295
  295    H    LEU  65           H        LEU  65   5.278  -3.124   5.104
  296    HA   LEU  65           HA       LEU  65   6.141  -5.805   4.624
  297   1HB   LEU  65          2HB       LEU  65   6.861  -3.775   6.765
  298   2HB   LEU  65          3HB       LEU  65   7.692  -5.312   6.569
  299    HG   LEU  65           HG       LEU  65   7.511  -3.256   4.323
  300   1HD1  LEU  65          1HD1      LEU  65   9.689  -3.630   6.428
  301   2HD1  LEU  65          2HD1      LEU  65   9.819  -2.600   4.988
  302   3HD1  LEU  65          3HD1      LEU  65   8.631  -2.218   6.252
  303   1HD2  LEU  65          1HD2      LEU  65   9.352  -4.423   3.341
  304   2HD2  LEU  65          2HD2      LEU  65   9.542  -5.475   4.762
  305   3HD2  LEU  65          3HD2      LEU  65   8.115  -5.629   3.712
  306    H    ASN  66           H        ASN  66   3.873  -4.522   7.135
  307    HA   ASN  66           HA       ASN  66   4.207  -7.127   8.631
  308   1HB   ASN  66          2HB       ASN  66   4.137  -4.318   9.800
  309   2HB   ASN  66          3HB       ASN  66   4.143  -5.830  10.718
  310   1HD2  ASN  66          1HD2      ASN  66   6.240  -3.364   9.900
  311   2HD2  ASN  66          2HD2      ASN  66   7.681  -4.251   9.718
  312    H    GLY  67           H        GLY  67   2.438  -6.219   6.761
  313   1HA   GLY  67          1HA       GLY  67   0.385  -5.186   6.300
  314   2HA   GLY  67          2HA       GLY  67  -0.239  -6.676   6.838
  315    H    GLN  68           H        GLN  68  -1.926  -6.133   8.417
  316    HA   GLN  68           HA       GLN  68  -1.868  -4.679  10.717
  317   1HB   GLN  68          2HB       GLN  68  -1.304  -2.600   9.663
  318   2HB   GLN  68          3HB       GLN  68  -2.522  -2.797   8.392
  319   1HG   GLN  68          2HG       GLN  68  -4.283  -2.289  10.008
  320   2HG   GLN  68          3HG       GLN  68  -3.164  -2.512  11.354
  321   1HE2  GLN  68          1HE2      GLN  68  -4.563  -0.014   9.263
  322   2HE2  GLN  68          2HE2      GLN  68  -3.424   1.177   9.798
  323    H    GLY  69           H        GLY  69  -3.956  -4.959  11.729
  324   1HA   GLY  69          1HA       GLY  69  -5.612  -6.513  11.981
  325   2HA   GLY  69          2HA       GLY  69  -6.438  -5.226  11.125
  326    H    GLY  70           H        GLY  70  -7.415  -5.775   9.175
  327   1HA   GLY  70          1HA       GLY  70  -7.759  -8.491   8.427
  328   2HA   GLY  70          2HA       GLY  70  -8.204  -7.072   7.470
  329    H    MET  71           H        MET  71  -5.330  -6.174   7.420
  330    HA   MET  71           HA       MET  71  -4.677  -7.342   4.897
  331   1HB   MET  71          1HB       MET  71  -4.306  -4.935   5.863
  332   2HB   MET  71          2HB       MET  71  -2.845  -5.601   6.573
  333   1HG   MET  71          1HG       MET  71  -1.920  -6.147   4.478
  334   2HG   MET  71          2HG       MET  71  -3.415  -5.821   3.627
  335   1HE   MET  71          1HE       MET  71  -0.822  -4.697   2.603
  336   2HE   MET  71          2HE       MET  71  -0.210  -3.145   3.246
  337   3HE   MET  71          3HE       MET  71  -0.042  -4.639   4.190
  338    HA   PRO  72           HA       PRO  72  -2.560 -10.834   6.740
  339   1HB   PRO  72          2HB       PRO  72  -1.004 -11.627   4.520
  340   2HB   PRO  72          3HB       PRO  72  -2.718 -12.075   4.826
  341   1HG   PRO  72          2HG       PRO  72  -1.565  -9.988   3.026
  342   2HG   PRO  72          3HG       PRO  72  -3.025 -10.974   2.773
  343   1HD   PRO  72          2HD       PRO  72  -3.063  -8.337   3.566
  344   2HD   PRO  72          3HD       PRO  72  -4.334  -9.491   4.046
  345    H    GLY  73           H        GLY  73  -0.447  -9.000   4.534
  346   1HA   GLY  73          1HA       GLY  73   1.192  -7.516   5.403
  347   2HA   GLY  73          2HA       GLY  73   1.600  -8.674   6.707
  348    H    GLY  74           H        GLY  74   3.252  -7.278   4.728
  349   1HA   GLY  74          1HA       GLY  74   5.188  -7.822   3.577
  350   2HA   GLY  74          2HA       GLY  74   4.928  -9.531   3.966
  351    H    ILE  75           H        ILE  75   2.390  -7.725   2.446
  352    HA   ILE  75           HA       ILE  75   2.017  -9.426   0.281
  353    HB   ILE  75           HB       ILE  75   1.056  -6.747   1.255
  354   1HG1  ILE  75          2HG1      ILE  75   0.058  -8.785   2.008
  355   2HG1  ILE  75          3HG1      ILE  75  -1.062  -7.674   1.215
  356   1HG2  ILE  75          1HG2      ILE  75   0.605  -7.770  -1.624
  357   2HG2  ILE  75          2HG2      ILE  75  -0.362  -6.521  -0.845
  358   3HG2  ILE  75          3HG2      ILE  75   1.344  -6.224  -1.171
  359   1HD1  ILE  75          1HD1      ILE  75  -1.642  -9.923   0.590
  360   2HD1  ILE  75          2HD1      ILE  75  -1.020  -9.112  -0.843
  361   3HD1  ILE  75          3HD1      ILE  75  -0.004 -10.279   0.034
  362    H    ALA  76           H        ALA  76   3.785  -6.314   0.285
  363    HA   ALA  76           HA       ALA  76   5.396  -7.317  -2.015
  364   1HB   ALA  76          1HB       ALA  76   4.882  -4.441  -1.138
  365   2HB   ALA  76          2HB       ALA  76   5.950  -4.950  -2.460
  366   3HB   ALA  76          3HB       ALA  76   4.201  -5.207  -2.584
  367    H    LYS  77           H        LYS  77   7.757  -6.816  -1.756
  368    HA   LYS  77           HA       LYS  77   8.592  -5.825   0.839
  369   1HB   LYS  77          2HB       LYS  77   8.458  -8.613   0.650
  370   2HB   LYS  77          3HB       LYS  77  10.129  -8.277   0.180
  371   1HG   LYS  77          2HG       LYS  77  10.089  -6.676   2.297
  372   2HG   LYS  77          3HG       LYS  77   8.665  -7.611   2.752
  373   1HD   LYS  77          2HD       LYS  77  11.443  -8.765   2.179
  374   2HD   LYS  77          3HD       LYS  77  10.860  -8.265   3.774
  375   1HE   LYS  77          2HE       LYS  77   8.881  -9.906   3.402
  376   2HE   LYS  77          3HE       LYS  77   9.833 -10.563   2.060
  377   1HZ   LYS  77          1HZ       LYS  77  10.211 -11.766   4.094
  378   2HZ   LYS  77          2HZ       LYS  77  11.603 -10.996   3.674
  379   3HZ   LYS  77          3HZ       LYS  77  10.663 -10.405   4.890
  380    H    GLY  78           H        GLY  78  11.056  -5.514   0.881
  381   1HA   GLY  78          1HA       GLY  78  12.903  -4.533  -0.058
  382   2HA   GLY  78          2HA       GLY  78  12.666  -5.642  -1.424
  383    H    ALA  79           H        ALA  79  13.310  -3.994  -2.917
  384    HA   ALA  79           HA       ALA  79  12.468  -1.430  -3.202
  385   1HB   ALA  79          1HB       ALA  79  14.119  -2.481  -4.664
  386   2HB   ALA  79          2HB       ALA  79  12.842  -3.434  -5.461
  387   3HB   ALA  79          3HB       ALA  79  12.866  -1.662  -5.617
  388    H    GLU  80           H        GLU  80  10.652  -4.314  -4.052
  389    HA   GLU  80           HA       GLU  80   8.498  -3.282  -5.505
  390   1HB   GLU  80          2HB       GLU  80   9.277  -5.748  -4.716
  391   2HB   GLU  80          3HB       GLU  80   8.071  -5.450  -3.456
  392   1HG   GLU  80          2HG       GLU  80   6.365  -5.126  -5.156
  393   2HG   GLU  80          3HG       GLU  80   7.566  -5.360  -6.435
  394    H    ALA  81           H        ALA  81   8.993  -3.538  -1.961
  395    HA   ALA  81           HA       ALA  81   6.382  -2.299  -1.357
  396   1HB   ALA  81          1HB       ALA  81   7.197  -4.058   0.104
  397   2HB   ALA  81          2HB       ALA  81   8.675  -3.137   0.463
  398   3HB   ALA  81          3HB       ALA  81   7.086  -2.531   0.979
  399    H    GLU  82           H        GLU  82   9.867  -1.490  -1.033
  400    HA   GLU  82           HA       GLU  82   9.637   0.992   0.237
  401   1HB   GLU  82          2HB       GLU  82  11.665  -0.033  -1.774
  402   2HB   GLU  82          3HB       GLU  82  11.908   1.406  -0.795
  403   1HG   GLU  82          2HG       GLU  82  11.874   0.148   1.253
  404   2HG   GLU  82          3HG       GLU  82  11.352  -1.333   0.452
  405    H    ALA  83           H        ALA  83   9.734   0.330  -3.302
  406    HA   ALA  83           HA       ALA  83   9.468   3.030  -4.146
  407   1HB   ALA  83          1HB       ALA  83   8.767   2.067  -6.291
  408   2HB   ALA  83          2HB       ALA  83  10.143   1.166  -5.630
  409   3HB   ALA  83          3HB       ALA  83   8.503   0.485  -5.528
  410    H    VAL  84           H        VAL  84   7.004   0.492  -3.509
  411    HA   VAL  84           HA       VAL  84   4.722   2.013  -4.225
  412    HB   VAL  84           HB       VAL  84   5.083  -0.318  -2.324
  413   1HG1  VAL  84          1HG1      VAL  84   3.101   0.818  -1.554
  414   2HG1  VAL  84          2HG1      VAL  84   2.562   1.139  -3.209
  415   3HG1  VAL  84          3HG1      VAL  84   2.580  -0.527  -2.590
  416   1HG2  VAL  84          1HG2      VAL  84   5.454  -0.616  -4.848
  417   2HG2  VAL  84          2HG2      VAL  84   4.149  -1.581  -4.139
  418   3HG2  VAL  84          3HG2      VAL  84   3.789  -0.112  -5.070
  419    H    ALA  85           H        ALA  85   6.241   1.611  -1.020
  420    HA   ALA  85           HA       ALA  85   4.593   3.330   0.438
  421   1HB   ALA  85          1HB       ALA  85   7.600   3.007   0.793
  422   2HB   ALA  85          2HB       ALA  85   6.430   3.602   1.980
  423   3HB   ALA  85          3HB       ALA  85   6.352   1.912   1.432
  424    H    ALA  86           H        ALA  86   7.618   4.240  -1.313
  425    HA   ALA  86           HA       ALA  86   7.425   7.035  -0.740
  426   1HB   ALA  86          1HB       ALA  86   8.692   5.632  -3.134
  427   2HB   ALA  86          2HB       ALA  86   8.985   7.313  -2.636
  428   3HB   ALA  86          3HB       ALA  86   9.481   5.975  -1.579
  429    H    TRP  87           H        TRP  87   6.227   5.199  -3.547
  430    HA   TRP  87           HA       TRP  87   5.121   7.381  -4.979
  431   1HB   TRP  87          2HB       TRP  87   5.551   5.146  -5.829
  432   2HB   TRP  87          3HB       TRP  87   4.328   4.469  -4.754
  433    HD1  TRP  87           HD1      TRP  87   4.478   6.940  -7.728
  434    HE1  TRP  87           HE1      TRP  87   2.456   6.532  -9.233
  435    HE3  TRP  87           HE3      TRP  87   2.216   3.244  -5.021
  436    HZ2  TRP  87           HZ2      TRP  87  -0.059   5.014  -9.078
  437    HZ3  TRP  87           HZ3      TRP  87  -0.080   2.548  -5.571
  438    HH2  TRP  87           HH2      TRP  87  -1.241   3.418  -7.542
  439    H    LEU  88           H        LEU  88   3.620   5.203  -2.556
  440    HA   LEU  88           HA       LEU  88   1.086   6.540  -2.402
  441   1HB   LEU  88          2HB       LEU  88   2.587   4.605  -0.628
  442   2HB   LEU  88          3HB       LEU  88   1.173   5.426  -0.016
  443    HG   LEU  88           HG       LEU  88   1.138   3.036  -1.357
  444   1HD1  LEU  88          1HD1      LEU  88  -1.349   3.418  -1.498
  445   2HD1  LEU  88          2HD1      LEU  88  -0.679   3.808   0.110
  446   3HD1  LEU  88          3HD1      LEU  88  -1.089   5.108  -1.042
  447   1HD2  LEU  88          1HD2      LEU  88  -0.165   4.936  -3.306
  448   2HD2  LEU  88          2HD2      LEU  88   1.499   4.338  -3.453
  449   3HD2  LEU  88          3HD2      LEU  88   0.140   3.188  -3.408
  450    H    ALA  89           H        ALA  89   4.162   7.173  -0.705
  451    HA   ALA  89           HA       ALA  89   3.120   9.116   1.086
  452   1HB   ALA  89          1HB       ALA  89   5.882   9.191  -0.160
  453   2HB   ALA  89          2HB       ALA  89   5.347   9.840   1.395
  454   3HB   ALA  89          3HB       ALA  89   5.392   8.083   1.144
  455    H    GLU  90           H        GLU  90   4.326   9.333  -2.265
  456    HA   GLU  90           HA       GLU  90   3.854  12.118  -2.648
  457   1HB   GLU  90          2HB       GLU  90   4.700   9.884  -4.276
  458   2HB   GLU  90          3HB       GLU  90   3.365  10.688  -5.102
  459   1HG   GLU  90          2HG       GLU  90   4.576  12.874  -4.819
  460   2HG   GLU  90          3HG       GLU  90   5.934  11.980  -4.105
  461    H    LYS  91           H        LYS  91   1.660   9.286  -2.985
  462    HA   LYS  91           HA       LYS  91  -0.458  10.905  -4.131
  463   1HB   LYS  91          2HB       LYS  91  -0.802   8.212  -2.770
  464   2HB   LYS  91          3HB       LYS  91  -1.904   9.030  -3.888
  465   1HG   LYS  91          2HG       LYS  91   0.183   8.983  -5.523
  466   2HG   LYS  91          3HG       LYS  91   0.747   7.721  -4.437
  467   1HD   LYS  91          2HD       LYS  91  -0.373   6.251  -5.691
  468   2HD   LYS  91          3HD       LYS  91  -1.788   6.820  -4.819
  469   1HE   LYS  91          2HE       LYS  91  -2.286   6.826  -7.188
  470   2HE   LYS  91          3HE       LYS  91  -2.211   8.506  -6.636
  471   1HZ   LYS  91          1HZ       LYS  91  -1.049   8.134  -8.726
  472   2HZ   LYS  91          2HZ       LYS  91   0.003   8.643  -7.573
  473   3HZ   LYS  91          3HZ       LYS  91  -0.031   7.063  -8.010
  474    H    LYS  92           H        LYS  92  -2.146  12.060  -3.153
  475    HA   LYS  92           HA       LYS  92  -2.671  11.891  -0.321
  476   1HB   LYS  92          2HB       LYS  92  -1.582  14.436  -1.630
  477   2HB   LYS  92          3HB       LYS  92  -2.334  14.314  -0.030
  478   1HG   LYS  92          2HG       LYS  92  -0.515  12.552   0.482
  479   2HG   LYS  92          3HG       LYS  92   0.329  13.157  -0.949
  480   1HD   LYS  92          2HD       LYS  92   0.360  15.438   0.035
  481   2HD   LYS  92          3HD       LYS  92  -0.565  14.848   1.425
  482   1HE   LYS  92          2HE       LYS  92   1.549  13.045   1.388
  483   2HE   LYS  92          3HE       LYS  92   2.342  14.463   0.730
  484   1HZ   LYS  92          1HZ       LYS  92   2.524  14.313   3.110
  485   2HZ   LYS  92          2HZ       LYS  92   1.639  15.655   2.732
  486   3HZ   LYS  92          3HZ       LYS  92   0.909  14.288   3.312
  487    HHA  HEC  93           HHA      HEC  93  -5.014  -0.714   6.412
  488    HHB  HEC  93           HHB      HEC  93  -0.569   0.683   2.036
  489    HHC  HEC  93           HHC      HEC  93  -1.813  -5.003  -0.805
  490    HHD  HEC  93           HHD      HEC  93  -6.933  -5.757   2.979
  491   1HMA  HEC  93          1HMA      HEC  93  -1.146   2.738   3.413
  492   2HMA  HEC  93          2HMA      HEC  93  -1.207   2.760   5.176
  493   3HMA  HEC  93          3HMA      HEC  93  -0.044   1.717   4.369
  494   1HAA  HEC  93          1HAA      HEC  93  -2.865   2.392   6.512
  495   2HAA  HEC  93          2HAA      HEC  93  -3.446   0.923   7.243
  496   1HBA  HEC  93          1HBA      HEC  93  -5.424   1.540   5.307
  497   2HBA  HEC  93          2HBA      HEC  93  -4.917   3.110   5.892
  498   1HMB  HEC  93          1HMB      HEC  93   1.414  -0.552  -0.689
  499   2HMB  HEC  93          2HMB      HEC  93  -0.051   0.186  -1.365
  500   3HMB  HEC  93          3HMB      HEC  93   0.535   0.659   0.219
  501    HAB  HEC  93           HAB      HEC  93  -0.264  -4.127  -1.857
  502   1HBB  HEC  93          1HBB      HEC  93   1.781  -4.074  -0.534
  503   2HBB  HEC  93          2HBB      HEC  93   2.060  -3.871  -2.276
  504   3HBB  HEC  93          3HBB      HEC  93   2.186  -2.485  -1.191
  505   1HMC  HEC  93          1HMC      HEC  93  -2.593  -6.993  -1.234
  506   2HMC  HEC  93          2HMC      HEC  93  -3.904  -8.090  -0.840
  507   3HMC  HEC  93          3HMC      HEC  93  -4.216  -6.681  -1.866
  508    HAC  HEC  93           HAC      HEC  93  -7.107  -7.145   1.404
  509   1HBC  HEC  93          1HBC      HEC  93  -6.628  -9.510   1.030
  510   2HBC  HEC  93          2HBC      HEC  93  -4.912  -9.139   0.780
  511   3HBC  HEC  93          3HBC      HEC  93  -5.681  -8.794   2.340
  512   1HMD  HEC  93          1HMD      HEC  93  -8.494  -4.678   6.251
  513   2HMD  HEC  93          2HMD      HEC  93  -8.921  -4.664   4.530
  514   3HMD  HEC  93          3HMD      HEC  93  -7.794  -5.879   5.169
  515   1HAD  HEC  93          1HAD      HEC  93  -8.169  -2.618   7.057
  516   2HAD  HEC  93          2HAD      HEC  93  -6.904  -1.429   7.297
  517   1HBD  HEC  93          1HBD      HEC  93  -5.428  -3.026   8.266
  518   2HBD  HEC  93          2HBD      HEC  93  -6.425  -4.378   7.726
  Start of MODEL   22
    1   1H    VAL  22          H1        VAL  22  11.876   0.120 -10.139
    2   2H    VAL  22          H2        VAL  22  11.481   0.088  -8.555
    3   3H    VAL  22          H3        VAL  22  12.527  -1.061  -9.164
    4    HA   VAL  22           HA       VAL  22  10.660  -1.848 -10.556
    5    HB   VAL  22           HB       VAL  22  10.657  -1.907  -7.533
    6   1HG1  VAL  22          1HG1      VAL  22   8.793  -3.587  -7.608
    7   2HG1  VAL  22          2HG1      VAL  22   8.314  -1.901  -7.875
    8   3HG1  VAL  22          3HG1      VAL  22   8.417  -3.038  -9.248
    9   1HG2  VAL  22          1HG2      VAL  22  10.741  -4.132  -9.615
   10   2HG2  VAL  22          2HG2      VAL  22  12.189  -3.350  -8.944
   11   3HG2  VAL  22          3HG2      VAL  22  11.103  -4.265  -7.884
   12    H    ASP  23           H        ASP  23   8.530  -1.406 -11.301
   13    HA   ASP  23           HA       ASP  23   7.765   1.375 -11.013
   14   1HB   ASP  23          2HB       ASP  23   7.642   0.213 -13.151
   15   2HB   ASP  23          3HB       ASP  23   6.460  -0.927 -12.500
   16    H    ALA  24           H        ALA  24   7.112   1.794  -8.993
   17    HA   ALA  24           HA       ALA  24   5.602   0.356  -7.181
   18   1HB   ALA  24          1HB       ALA  24   4.832   2.621  -6.394
   19   2HB   ALA  24          2HB       ALA  24   6.591   2.495  -6.625
   20   3HB   ALA  24          3HB       ALA  24   5.583   3.337  -7.825
   21    H    GLU  25           H        GLU  25   4.392   2.104 -10.111
   22    HA   GLU  25           HA       GLU  25   1.651   2.056  -9.168
   23   1HB   GLU  25          2HB       GLU  25   2.450   2.453 -12.054
   24   2HB   GLU  25          3HB       GLU  25   1.065   3.055 -11.152
   25   1HG   GLU  25          2HG       GLU  25   3.187   4.206  -9.770
   26   2HG   GLU  25          3HG       GLU  25   3.863   4.104 -11.386
   27    H    ALA  26           H        ALA  26   3.637   0.315 -11.595
   28    HA   ALA  26           HA       ALA  26   1.707  -1.579 -12.428
   29   1HB   ALA  26          1HB       ALA  26   3.966  -1.237 -13.466
   30   2HB   ALA  26          2HB       ALA  26   4.667  -2.142 -12.097
   31   3HB   ALA  26          3HB       ALA  26   3.533  -2.938 -13.196
   32    H    VAL  27           H        VAL  27   4.026  -1.769  -9.705
   33    HA   VAL  27           HA       VAL  27   3.298  -4.368  -8.748
   34    HB   VAL  27           HB       VAL  27   4.309  -1.848  -7.333
   35   1HG1  VAL  27          1HG1      VAL  27   4.944  -3.189  -5.458
   36   2HG1  VAL  27          2HG1      VAL  27   3.210  -3.417  -5.661
   37   3HG1  VAL  27          3HG1      VAL  27   4.352  -4.666  -6.223
   38   1HG2  VAL  27          1HG2      VAL  27   6.434  -2.902  -7.377
   39   2HG2  VAL  27          2HG2      VAL  27   5.787  -4.415  -8.057
   40   3HG2  VAL  27          3HG2      VAL  27   5.841  -2.957  -9.048
   41    H    VAL  28           H        VAL  28   2.121  -1.129  -7.579
   42    HA   VAL  28           HA       VAL  28   0.239  -2.274  -5.823
   43    HB   VAL  28           HB       VAL  28   0.380   0.408  -7.219
   44   1HG1  VAL  28          1HG1      VAL  28  -1.741   0.808  -6.635
   45   2HG1  VAL  28          2HG1      VAL  28  -1.874  -0.691  -5.728
   46   3HG1  VAL  28          3HG1      VAL  28  -1.239   0.727  -4.932
   47   1HG2  VAL  28          1HG2      VAL  28   1.909   0.836  -5.632
   48   2HG2  VAL  28          2HG2      VAL  28   0.765   0.473  -4.344
   49   3HG2  VAL  28          3HG2      VAL  28   1.770  -0.806  -5.019
   50    H    GLN  29           H        GLN  29  -0.134  -1.264  -9.165
   51    HA   GLN  29           HA       GLN  29  -2.796  -1.782  -9.716
   52   1HB   GLN  29          2HB       GLN  29  -0.328  -1.996 -11.392
   53   2HB   GLN  29          3HB       GLN  29  -1.926  -2.325 -12.036
   54   1HG   GLN  29          2HG       GLN  29  -1.348   0.296 -10.574
   55   2HG   GLN  29          3HG       GLN  29  -0.927   0.074 -12.272
   56   1HE2  GLN  29          1HE2      GLN  29  -3.593   0.465  -9.975
   57   2HE2  GLN  29          2HE2      GLN  29  -4.828   0.670 -11.181
   58    H    GLN  30           H        GLN  30  -0.291  -4.153  -8.943
   59    HA   GLN  30           HA       GLN  30  -2.382  -6.205  -9.223
   60   1HB   GLN  30          2HB       GLN  30  -0.824  -6.148 -11.253
   61   2HB   GLN  30          3HB       GLN  30   0.462  -6.712 -10.171
   62   1HG   GLN  30          2HG       GLN  30  -0.928  -8.714  -9.632
   63   2HG   GLN  30          3HG       GLN  30  -2.222  -8.086 -10.670
   64   1HE2  GLN  30          1HE2      GLN  30  -1.463 -10.588 -11.213
   65   2HE2  GLN  30          2HE2      GLN  30  -0.426 -10.639 -12.630
   66    H    LYS  31           H        LYS  31  -1.374  -4.734  -6.902
   67    HA   LYS  31           HA       LYS  31  -0.810  -7.136  -5.261
   68   1HB   LYS  31          2HB       LYS  31   0.909  -4.616  -5.079
   69   2HB   LYS  31          3HB       LYS  31   0.905  -5.920  -3.903
   70   1HG   LYS  31          2HG       LYS  31   1.729  -6.259  -6.808
   71   2HG   LYS  31          3HG       LYS  31   2.829  -5.973  -5.463
   72   1HD   LYS  31          2HD       LYS  31   2.437  -8.035  -4.447
   73   2HD   LYS  31          3HD       LYS  31   0.974  -8.355  -5.411
   74   1HE   LYS  31          2HE       LYS  31   2.296  -8.441  -7.482
   75   2HE   LYS  31          3HE       LYS  31   3.788  -8.126  -6.574
   76   1HZ   LYS  31          1HZ       LYS  31   3.525 -10.178  -5.465
   77   2HZ   LYS  31          2HZ       LYS  31   2.034 -10.444  -6.127
   78   3HZ   LYS  31          3HZ       LYS  31   3.375 -10.465  -7.082
   79    H    CYS  32           H        CYS  32  -1.289  -3.564  -5.126
   80    HA   CYS  32           HA       CYS  32  -2.541  -3.977  -2.490
   81   1HB   CYS  32          2HB       CYS  32  -2.314  -1.297  -3.793
   82   2HB   CYS  32          3HB       CYS  32  -2.334  -1.717  -2.109
   83    H    ILE  33           H        ILE  33  -3.366  -2.677  -5.678
   84    HA   ILE  33           HA       ILE  33  -6.037  -2.012  -5.091
   85    HB   ILE  33           HB       ILE  33  -6.414  -1.955  -7.433
   86   1HG1  ILE  33          2HG1      ILE  33  -4.464  -2.656  -8.962
   87   2HG1  ILE  33          3HG1      ILE  33  -4.074  -3.825  -7.690
   88   1HG2  ILE  33          1HG2      ILE  33  -3.903  -0.806  -7.932
   89   2HG2  ILE  33          2HG2      ILE  33  -5.322  -0.035  -7.221
   90   3HG2  ILE  33          3HG2      ILE  33  -4.089  -0.689  -6.183
   91   1HD1  ILE  33          1HD1      ILE  33  -5.412  -4.787  -9.469
   92   2HD1  ILE  33          2HD1      ILE  33  -6.501  -4.676  -8.085
   93   3HD1  ILE  33          3HD1      ILE  33  -6.589  -3.470  -9.380
   94    H    SER  34           H        SER  34  -4.562  -5.092  -5.771
   95    HA   SER  34           HA       SER  34  -6.518  -6.870  -6.323
   96   1HB   SER  34          2HB       SER  34  -3.969  -7.041  -5.282
   97   2HB   SER  34          3HB       SER  34  -4.915  -7.639  -3.917
   98    HG   SER  34           HG       SER  34  -5.806  -9.180  -5.369
   99    H    CYS  35           H        CYS  35  -6.126  -5.197  -3.189
  100    HA   CYS  35           HA       CYS  35  -8.875  -6.109  -2.401
  101   1HB   CYS  35          2HB       CYS  35  -6.717  -5.090  -0.569
  102   2HB   CYS  35          3HB       CYS  35  -8.249  -5.867  -0.124
  103    H    HIS  36           HN       HIS  36  -6.606  -3.363  -2.633
  104    HA   HIS  36           HA       HIS  36  -8.473  -1.445  -1.548
  105   1HB   HIS  36          2HB       HIS  36  -5.691  -1.240  -2.761
  106   2HB   HIS  36          3HB       HIS  36  -6.603   0.127  -2.143
  107    HD1  HIS  36           HD1      HIS  36  -7.241   0.108   0.491
  108    HD2  HIS  36           HD2      HIS  36  -4.323  -2.617  -0.822
  109    HE1  HIS  36           1HE      HIS  36  -5.964  -0.613   2.555
  110    H    GLY  37           H        GLY  37  -8.547  -2.896  -4.530
  111   1HA   GLY  37          1HA       GLY  37 -10.548  -2.492  -5.684
  112   2HA   GLY  37          2HA       GLY  37 -10.356  -0.745  -5.520
  113    H    GLY  38           H        GLY  38  -8.849   0.281  -6.861
  114   1HA   GLY  38          1HA       GLY  38  -7.512  -1.057  -9.133
  115   2HA   GLY  38          2HA       GLY  38  -8.999  -0.192  -9.537
  116    H    ASP  39           H        ASP  39  -9.050   1.914  -7.969
  117    HA   ASP  39           HA       ASP  39  -6.680   3.562  -8.628
  118   1HB   ASP  39          2HB       ASP  39  -9.645   4.081  -8.387
  119   2HB   ASP  39          3HB       ASP  39  -8.532   5.386  -7.963
  120    H    LEU  40           H        LEU  40  -7.425   1.670  -5.964
  121    HA   LEU  40           HA       LEU  40  -6.604   1.740  -3.951
  122   1HB   LEU  40          2HB       LEU  40  -5.632   4.588  -4.185
  123   2HB   LEU  40          3HB       LEU  40  -5.092   3.301  -3.164
  124    HG   LEU  40           HG       LEU  40  -4.596   2.343  -5.828
  125   1HD1  LEU  40          1HD1      LEU  40  -4.571   4.464  -6.898
  126   2HD1  LEU  40          2HD1      LEU  40  -3.981   5.274  -5.435
  127   3HD1  LEU  40          3HD1      LEU  40  -2.897   4.274  -6.412
  128   1HD2  LEU  40          1HD2      LEU  40  -2.233   2.630  -5.080
  129   2HD2  LEU  40          2HD2      LEU  40  -2.816   3.444  -3.627
  130   3HD2  LEU  40          3HD2      LEU  40  -3.267   1.744  -3.936
  131    H    THR  41           H        THR  41  -9.173   2.934  -4.933
  132    HA   THR  41           HA       THR  41 -10.013   5.090  -3.163
  133    HB   THR  41           HB       THR  41 -12.214   4.633  -4.346
  134    HG1  THR  41           1HG      THR  41 -10.780   2.958  -6.088
  135   1HG2  THR  41          1HG2      THR  41 -11.230   5.144  -6.740
  136   2HG2  THR  41          2HG2      THR  41 -11.056   6.334  -5.444
  137   3HG2  THR  41          3HG2      THR  41  -9.687   5.302  -5.877
  138    H    GLY  42           H        GLY  42  -9.758   1.660  -3.030
  139   1HA   GLY  42          1HA       GLY  42 -10.070   0.468  -1.040
  140   2HA   GLY  42          2HA       GLY  42 -11.392   1.538  -0.539
  141    H    ALA  43           H        ALA  43 -11.402  -1.320  -0.871
  142    HA   ALA  43           HA       ALA  43 -13.860  -1.598  -2.414
  143   1HB   ALA  43          1HB       ALA  43 -11.384  -3.057  -3.437
  144   2HB   ALA  43          2HB       ALA  43 -13.053  -3.476  -3.865
  145   3HB   ALA  43          3HB       ALA  43 -12.401  -1.888  -4.296
  146    H    SER  44           H        SER  44 -11.444  -4.102  -1.629
  147    HA   SER  44           HA       SER  44 -13.307  -5.303   0.373
  148   1HB   SER  44          2HB       SER  44 -10.880  -6.300  -1.140
  149   2HB   SER  44          3HB       SER  44 -11.420  -7.089   0.351
  150    HG   SER  44           HG       SER  44 -12.480  -8.067  -1.334
  151    H    ALA  45           H        ALA  45 -11.191  -2.822   0.400
  152    HA   ALA  45           HA       ALA  45 -10.284  -3.211   3.138
  153   1HB   ALA  45          1HB       ALA  45  -8.349  -2.739   0.808
  154   2HB   ALA  45          2HB       ALA  45  -7.919  -3.006   2.502
  155   3HB   ALA  45          3HB       ALA  45  -8.603  -4.325   1.565
  156    HA   PRO  46           HA       PRO  46 -11.092   1.077   3.090
  157   1HB   PRO  46          2HB       PRO  46  -9.023   2.280   4.552
  158   2HB   PRO  46          3HB       PRO  46 -10.415   1.403   5.241
  159   1HG   PRO  46          2HG       PRO  46  -7.599   0.485   4.907
  160   2HG   PRO  46          3HG       PRO  46  -8.807   0.032   6.140
  161   1HD   PRO  46          2HD       PRO  46  -8.058  -1.450   3.897
  162   2HD   PRO  46          3HD       PRO  46  -9.549  -1.743   4.838
  163    H    ALA  47           H        ALA  47 -10.373   3.292   2.384
  164    HA   ALA  47           HA       ALA  47  -8.988   3.053  -0.141
  165   1HB   ALA  47          1HB       ALA  47  -9.615   5.356  -0.436
  166   2HB   ALA  47          2HB       ALA  47 -10.976   4.515   0.346
  167   3HB   ALA  47          3HB       ALA  47  -9.918   5.565   1.305
  168    H    ILE  48           H        ILE  48  -6.851   3.357  -0.490
  169    HA   ILE  48           HA       ILE  48  -5.182   4.641   1.649
  170    HB   ILE  48           HB       ILE  48  -3.288   3.324   0.895
  171   1HG1  ILE  48          2HG1      ILE  48  -5.226   1.775  -0.861
  172   2HG1  ILE  48          3HG1      ILE  48  -3.995   2.941  -1.396
  173   1HG2  ILE  48          1HG2      ILE  48  -4.081   1.184   1.900
  174   2HG2  ILE  48          2HG2      ILE  48  -4.513   2.629   2.813
  175   3HG2  ILE  48          3HG2      ILE  48  -5.739   1.798   1.840
  176   1HD1  ILE  48          1HD1      ILE  48  -2.211   1.563  -0.383
  177   2HD1  ILE  48          2HD1      ILE  48  -3.418   0.308  -0.032
  178   3HD1  ILE  48          3HD1      ILE  48  -3.082   0.764  -1.705
  179    H    ASP  49           H        ASP  49  -6.621   5.284  -1.197
  180    HA   ASP  49           HA       ASP  49  -4.974   6.580  -2.913
  181   1HB   ASP  49          2HB       ASP  49  -6.799   8.116  -3.258
  182   2HB   ASP  49          3HB       ASP  49  -7.461   6.506  -2.974
  183    H    LYS  50           H        LYS  50  -6.030   7.895   0.250
  184    HA   LYS  50           HA       LYS  50  -3.803   9.859   0.150
  185   1HB   LYS  50          2HB       LYS  50  -5.120  11.198   1.673
  186   2HB   LYS  50          3HB       LYS  50  -6.055  10.835   0.228
  187   1HG   LYS  50          2HG       LYS  50  -7.611   9.578   1.330
  188   2HG   LYS  50          3HG       LYS  50  -6.444   8.872   2.453
  189   1HD   LYS  50          2HD       LYS  50  -6.266  11.047   3.652
  190   2HD   LYS  50          3HD       LYS  50  -7.514  11.722   2.579
  191   1HE   LYS  50          2HE       LYS  50  -9.134   9.997   3.416
  192   2HE   LYS  50          3HE       LYS  50  -7.875   9.318   4.448
  193   1HZ   LYS  50          1HZ       LYS  50  -9.193  11.921   4.697
  194   2HZ   LYS  50          2HZ       LYS  50  -9.086  10.715   5.811
  195   3HZ   LYS  50          3HZ       LYS  50  -7.762  11.620   5.453
  196    H    ALA  51           H        ALA  51  -3.270   7.137   0.852
  197    HA   ALA  51           HA       ALA  51  -2.898   6.940   3.677
  198   1HB   ALA  51          1HB       ALA  51  -2.674   5.029   2.203
  199   2HB   ALA  51          2HB       ALA  51  -1.239   5.746   1.425
  200   3HB   ALA  51          3HB       ALA  51  -1.199   5.270   3.143
  201    H    GLY  52           H        GLY  52  -0.814   8.331   1.054
  202   1HA   GLY  52          1HA       GLY  52   1.459   8.894   2.536
  203   2HA   GLY  52          2HA       GLY  52   0.883   9.837   1.148
  204    H    ALA  53           H        ALA  53  -1.586  10.686   2.487
  205    HA   ALA  53           HA       ALA  53  -0.523  13.010   3.944
  206   1HB   ALA  53          1HB       ALA  53  -2.986  13.534   4.204
  207   2HB   ALA  53          2HB       ALA  53  -2.403  13.447   2.537
  208   3HB   ALA  53          3HB       ALA  53  -3.330  12.092   3.225
  209    H    ASN  54           H        ASN  54  -2.196   9.946   4.702
  210    HA   ASN  54           HA       ASN  54  -2.767  10.641   7.471
  211   1HB   ASN  54          2HB       ASN  54  -2.764   8.035   5.893
  212   2HB   ASN  54          3HB       ASN  54  -2.914   8.058   7.644
  213   1HD2  ASN  54          1HD2      ASN  54  -4.519   9.160   4.629
  214   2HD2  ASN  54          2HD2      ASN  54  -6.092   9.225   5.419
  215    H    TYR  55           H        TYR  55  -0.243   8.684   5.832
  216    HA   TYR  55           HA       TYR  55   1.447   8.758   8.288
  217   1HB   TYR  55          2HB       TYR  55   1.014   6.330   6.547
  218   2HB   TYR  55          3HB       TYR  55   1.742   6.399   8.138
  219    HD1  TYR  55           HD1      TYR  55  -0.650   4.744   6.736
  220    HD2  TYR  55           HD2      TYR  55  -0.278   7.705   9.846
  221    HE1  TYR  55           HE1      TYR  55  -2.766   3.979   7.751
  222    HE2  TYR  55           HE2      TYR  55  -2.502   7.038  10.733
  223    HH   TYR  55           HH       TYR  55  -4.539   4.604   9.052
  224    H    SER  56           H        SER  56   3.707   8.695   7.792
  225    HA   SER  56           HA       SER  56   4.447   9.629   5.098
  226   1HB   SER  56          2HB       SER  56   5.900   9.200   7.733
  227   2HB   SER  56          3HB       SER  56   6.815   9.441   6.239
  228    HG   SER  56           HG       SER  56   4.758  11.231   6.550
  229    H    GLU  57           H        GLU  57   6.452   8.557   4.037
  230    HA   GLU  57           HA       GLU  57   5.711   6.042   3.070
  231   1HB   GLU  57          2HB       GLU  57   7.955   5.847   2.179
  232   2HB   GLU  57          3HB       GLU  57   7.167   7.360   1.767
  233   1HG   GLU  57          2HG       GLU  57   9.087   7.313   4.091
  234   2HG   GLU  57          3HG       GLU  57   9.639   7.319   2.424
  235    H    GLU  58           H        GLU  58   7.915   6.865   5.706
  236    HA   GLU  58           HA       GLU  58   8.954   4.322   6.234
  237   1HB   GLU  58          2HB       GLU  58   9.585   6.661   7.133
  238   2HB   GLU  58          3HB       GLU  58   8.351   6.410   8.378
  239   1HG   GLU  58          2HG       GLU  58   9.594   4.424   9.170
  240   2HG   GLU  58          3HG       GLU  58  10.740   4.586   7.824
  241    H    GLU  59           H        GLU  59   5.848   5.789   7.238
  242    HA   GLU  59           HA       GLU  59   5.218   3.687   9.184
  243   1HB   GLU  59          2HB       GLU  59   3.840   6.145   8.108
  244   2HB   GLU  59          3HB       GLU  59   3.072   5.034   9.270
  245   1HG   GLU  59          2HG       GLU  59   5.781   6.195   9.959
  246   2HG   GLU  59          3HG       GLU  59   4.351   7.234  10.052
  247    H    ILE  60           H        ILE  60   4.179   4.821   5.929
  248    HA   ILE  60           HA       ILE  60   2.120   2.882   5.577
  249    HB   ILE  60           HB       ILE  60   3.852   4.247   3.506
  250   1HG1  ILE  60          2HG1      ILE  60   1.059   4.761   4.579
  251   2HG1  ILE  60          3HG1      ILE  60   2.475   5.703   4.965
  252   1HG2  ILE  60          1HG2      ILE  60   1.162   3.359   2.641
  253   2HG2  ILE  60          2HG2      ILE  60   2.730   3.128   1.865
  254   3HG2  ILE  60          3HG2      ILE  60   2.144   1.984   3.072
  255   1HD1  ILE  60          1HD1      ILE  60   0.803   6.398   3.027
  256   2HD1  ILE  60          2HD1      ILE  60   2.545   6.755   2.904
  257   3HD1  ILE  60          3HD1      ILE  60   1.830   5.384   2.033
  258    H    LEU  61           H        LEU  61   5.617   2.906   4.737
  259    HA   LEU  61           HA       LEU  61   5.707   0.374   3.562
  260   1HB   LEU  61          2HB       LEU  61   7.600   2.044   3.486
  261   2HB   LEU  61          3HB       LEU  61   7.920   1.694   5.189
  262    HG   LEU  61           HG       LEU  61   8.305  -0.729   4.546
  263   1HD1  LEU  61          1HD1      LEU  61   7.044  -0.875   2.441
  264   2HD1  LEU  61          2HD1      LEU  61   8.056   0.399   1.739
  265   3HD1  LEU  61          3HD1      LEU  61   8.750  -1.189   2.125
  266   1HD2  LEU  61          1HD2      LEU  61  10.199   0.743   4.846
  267   2HD2  LEU  61          2HD2      LEU  61  10.502  -0.319   3.458
  268   3HD2  LEU  61          3HD2      LEU  61  10.028   1.374   3.191
  269    H    ASP  62           H        ASP  62   6.171   1.393   6.993
  270    HA   ASP  62           HA       ASP  62   6.557  -1.077   8.150
  271   1HB   ASP  62          2HB       ASP  62   6.265   1.305   9.257
  272   2HB   ASP  62          3HB       ASP  62   4.577   0.805   9.455
  273    H    ILE  63           H        ILE  63   3.311   0.414   7.397
  274    HA   ILE  63           HA       ILE  63   1.990  -2.118   8.104
  275    HB   ILE  63           HB       ILE  63   0.897  -0.025   6.237
  276   1HG1  ILE  63          2HG1      ILE  63   0.467  -0.199   9.227
  277   2HG1  ILE  63          3HG1      ILE  63   1.570   0.936   8.438
  278   1HG2  ILE  63          1HG2      ILE  63  -1.146  -0.966   6.309
  279   2HG2  ILE  63          2HG2      ILE  63  -0.247  -2.454   6.563
  280   3HG2  ILE  63          3HG2      ILE  63  -0.943  -1.611   7.945
  281   1HD1  ILE  63          1HD1      ILE  63  -1.426   0.839   8.022
  282   2HD1  ILE  63          2HD1      ILE  63  -0.493   2.084   8.871
  283   3HD1  ILE  63          3HD1      ILE  63  -0.301   1.883   7.118
  284    H    ILE  64           H        ILE  64   3.174  -1.050   4.894
  285    HA   ILE  64           HA       ILE  64   2.049  -3.187   3.380
  286    HB   ILE  64           HB       ILE  64   4.586  -1.592   2.961
  287   1HG1  ILE  64          2HG1      ILE  64   1.906  -1.476   1.514
  288   2HG1  ILE  64          3HG1      ILE  64   2.247  -0.474   2.919
  289   1HG2  ILE  64          1HG2      ILE  64   4.448  -2.434   0.581
  290   2HG2  ILE  64          2HG2      ILE  64   4.851  -3.696   1.738
  291   3HG2  ILE  64          3HG2      ILE  64   3.197  -3.574   1.113
  292   1HD1  ILE  64          1HD1      ILE  64   3.772  -0.372   0.287
  293   2HD1  ILE  64          2HD1      ILE  64   2.677   0.845   0.954
  294   3HD1  ILE  64          3HD1      ILE  64   4.206   0.511   1.765
  295    H    LEU  65           H        LEU  65   5.153  -2.985   5.102
  296    HA   LEU  65           HA       LEU  65   5.872  -5.742   4.528
  297   1HB   LEU  65          2HB       LEU  65   6.939  -3.635   6.442
  298   2HB   LEU  65          3HB       LEU  65   7.648  -5.235   6.247
  299    HG   LEU  65           HG       LEU  65   7.371  -3.134   4.033
  300   1HD1  LEU  65          1HD1      LEU  65   9.858  -4.127   5.482
  301   2HD1  LEU  65          2HD1      LEU  65   9.780  -2.882   4.216
  302   3HD1  LEU  65          3HD1      LEU  65   9.043  -2.583   5.801
  303   1HD2  LEU  65          1HD2      LEU  65   7.347  -5.227   2.894
  304   2HD2  LEU  65          2HD2      LEU  65   9.038  -4.724   2.860
  305   3HD2  LEU  65          3HD2      LEU  65   8.514  -5.952   4.028
  306    H    ASN  66           H        ASN  66   3.917  -4.168   7.052
  307    HA   ASN  66           HA       ASN  66   4.120  -6.609   8.781
  308   1HB   ASN  66          2HB       ASN  66   4.097  -3.747   9.814
  309   2HB   ASN  66          3HB       ASN  66   4.286  -5.234  10.728
  310   1HD2  ASN  66          1HD2      ASN  66   6.024  -2.771  10.465
  311   2HD2  ASN  66          2HD2      ASN  66   7.608  -3.419  10.070
  312    H    GLY  67           H        GLY  67   2.334  -6.193   6.941
  313   1HA   GLY  67          1HA       GLY  67   0.079  -4.761   7.036
  314   2HA   GLY  67          2HA       GLY  67  -0.055  -6.429   6.582
  315    H    GLN  68           H        GLN  68  -0.885  -3.930   8.800
  316    HA   GLN  68           HA       GLN  68  -1.444  -5.412  11.145
  317   1HB   GLN  68          2HB       GLN  68  -0.470  -3.033  10.730
  318   2HB   GLN  68          3HB       GLN  68  -2.068  -2.550  10.231
  319   1HG   GLN  68          2HG       GLN  68  -2.913  -3.242  12.551
  320   2HG   GLN  68          3HG       GLN  68  -1.250  -3.707  12.957
  321   1HE2  GLN  68          1HE2      GLN  68  -2.862  -0.854  11.382
  322   2HE2  GLN  68          2HE2      GLN  68  -2.066   0.321  12.417
  323    H    GLY  69           H        GLY  69  -3.675  -5.220  12.122
  324   1HA   GLY  69          1HA       GLY  69  -5.941  -5.515  12.105
  325   2HA   GLY  69          2HA       GLY  69  -5.956  -4.351  10.772
  326    H    GLY  70           H        GLY  70  -7.160  -5.195   9.127
  327   1HA   GLY  70          1HA       GLY  70  -7.565  -8.040   8.741
  328   2HA   GLY  70          2HA       GLY  70  -8.141  -6.722   7.713
  329    H    MET  71           H        MET  71  -5.266  -5.676   7.501
  330    HA   MET  71           HA       MET  71  -4.645  -6.948   5.047
  331   1HB   MET  71          1HB       MET  71  -4.118  -4.581   5.958
  332   2HB   MET  71          2HB       MET  71  -2.729  -5.306   6.746
  333   1HG   MET  71          1HG       MET  71  -1.701  -5.844   4.711
  334   2HG   MET  71          2HG       MET  71  -3.173  -5.657   3.765
  335   1HE   MET  71          1HE       MET  71  -0.574  -4.398   2.739
  336   2HE   MET  71          2HE       MET  71  -0.147  -2.774   3.350
  337   3HE   MET  71          3HE       MET  71   0.094  -4.209   4.378
  338    HA   PRO  72           HA       PRO  72  -2.457 -10.423   6.879
  339   1HB   PRO  72          2HB       PRO  72  -1.060 -11.351   4.634
  340   2HB   PRO  72          3HB       PRO  72  -2.784 -11.686   5.007
  341   1HG   PRO  72          2HG       PRO  72  -1.581  -9.757   3.083
  342   2HG   PRO  72          3HG       PRO  72  -3.120 -10.639   2.944
  343   1HD   PRO  72          2HD       PRO  72  -2.927  -7.956   3.673
  344   2HD   PRO  72          3HD       PRO  72  -4.274  -9.016   4.162
  345    H    GLY  73           H        GLY  73  -0.422  -8.689   4.510
  346   1HA   GLY  73          1HA       GLY  73   1.375  -7.248   5.258
  347   2HA   GLY  73          2HA       GLY  73   1.756  -8.396   6.566
  348    H    GLY  74           H        GLY  74   3.395  -7.203   4.531
  349   1HA   GLY  74          1HA       GLY  74   5.285  -7.946   3.333
  350   2HA   GLY  74          2HA       GLY  74   4.918  -9.592   3.871
  351    H    ILE  75           H        ILE  75   2.477  -7.805   2.212
  352    HA   ILE  75           HA       ILE  75   2.036  -9.611   0.108
  353    HB   ILE  75           HB       ILE  75   1.164  -6.902   1.028
  354   1HG1  ILE  75          2HG1      ILE  75  -0.678  -8.793  -0.343
  355   2HG1  ILE  75          3HG1      ILE  75   0.094  -9.392   1.134
  356   1HG2  ILE  75          1HG2      ILE  75   1.652  -6.263  -1.349
  357   2HG2  ILE  75          2HG2      ILE  75   0.833  -7.722  -1.932
  358   3HG2  ILE  75          3HG2      ILE  75  -0.076  -6.443  -1.134
  359   1HD1  ILE  75          1HD1      ILE  75  -0.701  -7.607   2.461
  360   2HD1  ILE  75          2HD1      ILE  75  -1.184  -6.661   1.053
  361   3HD1  ILE  75          3HD1      ILE  75  -2.089  -8.130   1.467
  362    H    ALA  76           H        ALA  76   3.814  -6.523   0.025
  363    HA   ALA  76           HA       ALA  76   5.250  -7.405  -2.432
  364   1HB   ALA  76          1HB       ALA  76   4.535  -4.690  -1.272
  365   2HB   ALA  76          2HB       ALA  76   5.954  -4.878  -2.307
  366   3HB   ALA  76          3HB       ALA  76   4.342  -5.289  -2.937
  367    H    LYS  77           H        LYS  77   7.583  -7.256  -2.331
  368    HA   LYS  77           HA       LYS  77   8.843  -6.726   0.281
  369   1HB   LYS  77          2HB       LYS  77   8.382  -9.470  -0.785
  370   2HB   LYS  77          3HB       LYS  77  10.026  -9.165  -0.227
  371   1HG   LYS  77          2HG       LYS  77   9.417  -8.773   1.975
  372   2HG   LYS  77          3HG       LYS  77   7.779  -8.290   1.568
  373   1HD   LYS  77          2HD       LYS  77   7.760 -10.341   2.767
  374   2HD   LYS  77          3HD       LYS  77   7.048 -10.529   1.177
  375   1HE   LYS  77          2HE       LYS  77   9.984 -11.258   1.571
  376   2HE   LYS  77          3HE       LYS  77   8.736 -12.304   2.257
  377   1HZ   LYS  77          1HZ       LYS  77   7.781 -12.047  -0.161
  378   2HZ   LYS  77          2HZ       LYS  77   9.381 -11.895  -0.515
  379   3HZ   LYS  77          3HZ       LYS  77   8.832 -13.230   0.275
  380    H    GLY  78           H        GLY  78  11.071  -6.565   0.241
  381   1HA   GLY  78          1HA       GLY  78  13.073  -5.839  -0.695
  382   2HA   GLY  78          2HA       GLY  78  12.552  -6.457  -2.272
  383    H    ALA  79           H        ALA  79  13.497  -4.407  -3.037
  384    HA   ALA  79           HA       ALA  79  12.758  -1.817  -2.442
  385   1HB   ALA  79          1HB       ALA  79  13.480  -1.257  -4.715
  386   2HB   ALA  79          2HB       ALA  79  14.569  -2.461  -3.999
  387   3HB   ALA  79          3HB       ALA  79  13.357  -2.960  -5.204
  388    H    GLU  80           H        GLU  80  10.856  -4.196  -4.164
  389    HA   GLU  80           HA       GLU  80   8.834  -2.805  -5.451
  390   1HB   GLU  80          2HB       GLU  80   9.177  -5.317  -5.178
  391   2HB   GLU  80          3HB       GLU  80   8.597  -5.155  -3.518
  392   1HG   GLU  80          2HG       GLU  80   6.419  -4.362  -4.395
  393   2HG   GLU  80          3HG       GLU  80   7.020  -4.626  -6.041
  394    H    ALA  81           H        ALA  81   8.933  -3.667  -1.960
  395    HA   ALA  81           HA       ALA  81   6.486  -2.300  -1.351
  396   1HB   ALA  81          1HB       ALA  81   7.078  -2.742   0.986
  397   2HB   ALA  81          2HB       ALA  81   7.321  -4.177  -0.017
  398   3HB   ALA  81          3HB       ALA  81   8.723  -3.216   0.503
  399    H    GLU  82           H        GLU  82   9.933  -1.414  -0.892
  400    HA   GLU  82           HA       GLU  82   9.647   1.118   0.312
  401   1HB   GLU  82          2HB       GLU  82  11.674  -0.071  -1.606
  402   2HB   GLU  82          3HB       GLU  82  11.809   1.589  -1.082
  403   1HG   GLU  82          2HG       GLU  82  11.831   0.884   1.287
  404   2HG   GLU  82          3HG       GLU  82  11.731  -0.816   0.786
  405    H    ALA  83           H        ALA  83   9.855   0.381  -3.191
  406    HA   ALA  83           HA       ALA  83   9.544   3.028  -4.090
  407   1HB   ALA  83          1HB       ALA  83   8.592   0.540  -5.575
  408   2HB   ALA  83          2HB       ALA  83   9.135   2.089  -6.256
  409   3HB   ALA  83          3HB       ALA  83  10.298   1.023  -5.452
  410    H    VAL  84           H        VAL  84   7.087   0.443  -3.551
  411    HA   VAL  84           HA       VAL  84   4.835   2.004  -4.300
  412    HB   VAL  84           HB       VAL  84   5.113  -0.356  -2.412
  413   1HG1  VAL  84          1HG1      VAL  84   2.590  -0.479  -2.751
  414   2HG1  VAL  84          2HG1      VAL  84   3.144   0.811  -1.666
  415   3HG1  VAL  84          3HG1      VAL  84   2.668   1.207  -3.320
  416   1HG2  VAL  84          1HG2      VAL  84   5.548  -0.800  -4.829
  417   2HG2  VAL  84          2HG2      VAL  84   4.009  -1.506  -4.304
  418   3HG2  VAL  84          3HG2      VAL  84   4.035  -0.003  -5.249
  419    H    ALA  85           H        ALA  85   6.144   1.488  -1.005
  420    HA   ALA  85           HA       ALA  85   4.398   3.153   0.376
  421   1HB   ALA  85          1HB       ALA  85   7.377   2.787   0.921
  422   2HB   ALA  85          2HB       ALA  85   6.149   3.360   2.069
  423   3HB   ALA  85          3HB       ALA  85   6.083   1.699   1.450
  424    H    ALA  86           H        ALA  86   7.533   4.086  -1.094
  425    HA   ALA  86           HA       ALA  86   7.391   6.860  -0.438
  426   1HB   ALA  86          1HB       ALA  86   8.792   5.513  -2.782
  427   2HB   ALA  86          2HB       ALA  86   9.114   7.143  -2.144
  428   3HB   ALA  86          3HB       ALA  86   9.450   5.716  -1.143
  429    H    TRP  87           H        TRP  87   6.396   5.095  -3.405
  430    HA   TRP  87           HA       TRP  87   5.422   7.298  -4.860
  431   1HB   TRP  87          2HB       TRP  87   5.792   5.105  -5.804
  432   2HB   TRP  87          3HB       TRP  87   4.561   4.396  -4.764
  433    HD1  TRP  87           HD1      TRP  87   4.705   7.068  -7.562
  434    HE1  TRP  87           HE1      TRP  87   2.699   6.710  -9.116
  435    HE3  TRP  87           HE3      TRP  87   2.415   3.203  -5.090
  436    HZ2  TRP  87           HZ2      TRP  87   0.237   5.194  -9.102
  437    HZ3  TRP  87           HZ3      TRP  87   0.161   2.467  -5.792
  438    HH2  TRP  87           HH2      TRP  87  -0.924   3.408  -7.778
  439    H    LEU  88           H        LEU  88   3.708   5.189  -2.517
  440    HA   LEU  88           HA       LEU  88   1.203   6.571  -2.611
  441   1HB   LEU  88          2HB       LEU  88   2.506   4.648  -0.670
  442   2HB   LEU  88          3HB       LEU  88   1.056   5.506  -0.204
  443    HG   LEU  88           HG       LEU  88   1.138   3.076  -1.500
  444   1HD1  LEU  88          1HD1      LEU  88  -0.753   3.867  -0.115
  445   2HD1  LEU  88          2HD1      LEU  88  -1.154   5.093  -1.348
  446   3HD1  LEU  88          3HD1      LEU  88  -1.333   3.372  -1.723
  447   1HD2  LEU  88          1HD2      LEU  88   0.224   3.218  -3.608
  448   2HD2  LEU  88          2HD2      LEU  88  -0.066   4.970  -3.522
  449   3HD2  LEU  88          3HD2      LEU  88   1.597   4.353  -3.581
  450    H    ALA  89           H        ALA  89   4.160   7.169  -0.697
  451    HA   ALA  89           HA       ALA  89   3.134   9.163   1.004
  452   1HB   ALA  89          1HB       ALA  89   5.314   9.840   1.360
  453   2HB   ALA  89          2HB       ALA  89   5.481   8.158   0.827
  454   3HB   ALA  89          3HB       ALA  89   5.836   9.494  -0.290
  455    H    GLU  90           H        GLU  90   4.354   9.427  -2.355
  456    HA   GLU  90           HA       GLU  90   3.271  12.148  -2.656
  457   1HB   GLU  90          2HB       GLU  90   4.818  10.272  -4.464
  458   2HB   GLU  90          3HB       GLU  90   4.052  11.737  -5.087
  459   1HG   GLU  90          2HG       GLU  90   6.279  12.329  -4.619
  460   2HG   GLU  90          3HG       GLU  90   5.275  13.111  -3.395
  461    H    LYS  91           H        LYS  91   1.310   9.793  -2.098
  462    HA   LYS  91           HA       LYS  91  -0.533  10.778  -4.211
  463   1HB   LYS  91          2HB       LYS  91  -0.468   7.940  -3.144
  464   2HB   LYS  91          3HB       LYS  91  -1.768   8.698  -4.051
  465   1HG   LYS  91          2HG       LYS  91   0.128   9.340  -5.801
  466   2HG   LYS  91          3HG       LYS  91   1.084   8.165  -4.933
  467   1HD   LYS  91          2HD       LYS  91   0.295   7.161  -6.856
  468   2HD   LYS  91          3HD       LYS  91  -0.562   6.373  -5.537
  469   1HE   LYS  91          2HE       LYS  91  -1.658   8.618  -7.353
  470   2HE   LYS  91          3HE       LYS  91  -1.890   6.890  -7.640
  471   1HZ   LYS  91          1HZ       LYS  91  -2.918   6.878  -5.357
  472   2HZ   LYS  91          2HZ       LYS  91  -3.037   8.509  -5.484
  473   3HZ   LYS  91          3HZ       LYS  91  -3.797   7.550  -6.577
  474    H    LYS  92           H        LYS  92  -2.162  11.856  -3.490
  475    HA   LYS  92           HA       LYS  92  -3.273  11.535  -0.851
  476   1HB   LYS  92          2HB       LYS  92  -2.355  14.184  -2.034
  477   2HB   LYS  92          3HB       LYS  92  -3.458  13.967  -0.674
  478   1HG   LYS  92          2HG       LYS  92  -1.474  14.418   0.334
  479   2HG   LYS  92          3HG       LYS  92  -1.613  12.668   0.518
  480   1HD   LYS  92          2HD       LYS  92   0.168  12.214  -0.886
  481   2HD   LYS  92          3HD       LYS  92  -0.041  13.673  -1.856
  482   1HE   LYS  92          2HE       LYS  92   1.092  13.471   0.989
  483   2HE   LYS  92          3HE       LYS  92   2.038  13.616  -0.497
  484   1HZ   LYS  92          1HZ       LYS  92   1.861  15.722   0.478
  485   2HZ   LYS  92          2HZ       LYS  92   0.961  15.737  -0.900
  486   3HZ   LYS  92          3HZ       LYS  92   0.220  15.656   0.570
  487    HHA  HEC  93           HHA      HEC  93  -5.023  -0.603   6.286
  488    HHB  HEC  93           HHB      HEC  93  -0.605   0.788   1.859
  489    HHC  HEC  93           HHC      HEC  93  -1.660  -4.996  -0.833
  490    HHD  HEC  93           HHD      HEC  93  -6.705  -5.873   3.012
  491   1HMA  HEC  93          1HMA      HEC  93  -1.329   3.014   4.840
  492   2HMA  HEC  93          2HMA      HEC  93  -0.118   1.918   4.202
  493   3HMA  HEC  93          3HMA      HEC  93  -1.183   2.815   3.106
  494   1HAA  HEC  93          1HAA      HEC  93  -2.919   2.582   6.156
  495   2HAA  HEC  93          2HAA      HEC  93  -3.465   1.199   7.091
  496   1HBA  HEC  93          1HBA      HEC  93  -5.689   1.537   6.510
  497   2HBA  HEC  93          2HBA      HEC  93  -5.287   2.259   4.943
  498   1HMB  HEC  93          1HMB      HEC  93   1.433  -0.493  -0.839
  499   2HMB  HEC  93          2HMB      HEC  93  -0.046   0.247  -1.483
  500   3HMB  HEC  93          3HMB      HEC  93   0.572   0.717   0.089
  501    HAB  HEC  93           HAB      HEC  93  -0.188  -4.069  -1.965
  502   1HBB  HEC  93          1HBB      HEC  93   2.262  -2.448  -1.256
  503   2HBB  HEC  93          2HBB      HEC  93   1.856  -4.068  -0.671
  504   3HBB  HEC  93          3HBB      HEC  93   2.138  -3.790  -2.401
  505   1HMC  HEC  93          1HMC      HEC  93  -3.954  -6.615  -1.906
  506   2HMC  HEC  93          2HMC      HEC  93  -2.378  -7.030  -1.203
  507   3HMC  HEC  93          3HMC      HEC  93  -3.753  -8.079  -0.935
  508    HAC  HEC  93           HAC      HEC  93  -6.859  -7.285   1.431
  509   1HBC  HEC  93          1HBC      HEC  93  -4.633  -9.207   0.660
  510   2HBC  HEC  93          2HBC      HEC  93  -5.343  -8.939   2.257
  511   3HBC  HEC  93          3HBC      HEC  93  -6.326  -9.624   0.963
  512   1HMD  HEC  93          1HMD      HEC  93  -8.556  -5.011   4.210
  513   2HMD  HEC  93          2HMD      HEC  93  -7.670  -5.825   5.505
  514   3HMD  HEC  93          3HMD      HEC  93  -8.714  -4.439   5.864
  515   1HAD  HEC  93          1HAD      HEC  93  -8.047  -2.787   7.062
  516   2HAD  HEC  93          2HAD      HEC  93  -7.149  -1.303   6.920
  517   1HBD  HEC  93          1HBD      HEC  93  -5.582  -3.615   7.955
  518   2HBD  HEC  93          2HBD      HEC  93  -6.923  -3.071   8.981
  Start of MODEL   23
    1   1H    VAL  22          H1        VAL  22  11.899  -0.173 -10.150
    2   2H    VAL  22          H2        VAL  22  11.688  -0.070  -8.527
    3   3H    VAL  22          H3        VAL  22  12.542  -1.350  -9.171
    4    HA   VAL  22           HA       VAL  22  10.494  -2.022 -10.318
    5    HB   VAL  22           HB       VAL  22  10.559  -1.867  -7.276
    6   1HG1  VAL  22          1HG1      VAL  22   8.222  -1.971  -7.694
    7   2HG1  VAL  22          2HG1      VAL  22   8.425  -3.105  -9.055
    8   3HG1  VAL  22          3HG1      VAL  22   8.732  -3.641  -7.401
    9   1HG2  VAL  22          1HG2      VAL  22  10.997  -4.266  -7.451
   10   2HG2  VAL  22          2HG2      VAL  22  10.809  -4.212  -9.213
   11   3HG2  VAL  22          3HG2      VAL  22  12.186  -3.399  -8.437
   12    H    ASP  23           H        ASP  23   8.604  -1.268 -11.126
   13    HA   ASP  23           HA       ASP  23   7.882   1.441 -10.690
   14   1HB   ASP  23          2HB       ASP  23   6.660  -0.823 -12.306
   15   2HB   ASP  23          3HB       ASP  23   6.086   0.852 -12.338
   16    H    ALA  24           H        ALA  24   7.181   1.815  -8.674
   17    HA   ALA  24           HA       ALA  24   5.660   0.497  -6.881
   18   1HB   ALA  24          1HB       ALA  24   6.497   2.718  -6.448
   19   2HB   ALA  24          2HB       ALA  24   5.493   3.420  -7.732
   20   3HB   ALA  24          3HB       ALA  24   4.722   2.771  -6.278
   21    H    GLU  25           H        GLU  25   4.237   2.563  -9.441
   22    HA   GLU  25           HA       GLU  25   1.551   1.974  -8.981
   23   1HB   GLU  25          2HB       GLU  25   1.223   2.593 -11.396
   24   2HB   GLU  25          3HB       GLU  25   2.002   3.792 -10.363
   25   1HG   GLU  25          2HG       GLU  25   4.190   3.295 -11.277
   26   2HG   GLU  25          3HG       GLU  25   3.515   1.966 -12.244
   27    H    ALA  26           H        ALA  26   3.887   0.156 -11.023
   28    HA   ALA  26           HA       ALA  26   1.932  -1.618 -12.140
   29   1HB   ALA  26          1HB       ALA  26   3.808  -2.940 -12.879
   30   2HB   ALA  26          2HB       ALA  26   4.212  -1.224 -13.097
   31   3HB   ALA  26          3HB       ALA  26   4.899  -2.147 -11.736
   32    H    VAL  27           H        VAL  27   4.160  -1.860  -9.340
   33    HA   VAL  27           HA       VAL  27   3.387  -4.481  -8.479
   34    HB   VAL  27           HB       VAL  27   4.288  -2.021  -6.886
   35   1HG1  VAL  27          1HG1      VAL  27   4.761  -3.563  -5.041
   36   2HG1  VAL  27          2HG1      VAL  27   3.045  -3.594  -5.381
   37   3HG1  VAL  27          3HG1      VAL  27   4.087  -4.906  -5.983
   38   1HG2  VAL  27          1HG2      VAL  27   5.773  -4.521  -7.794
   39   2HG2  VAL  27          2HG2      VAL  27   5.964  -2.894  -8.480
   40   3HG2  VAL  27          3HG2      VAL  27   6.426  -3.201  -6.795
   41    H    VAL  28           H        VAL  28   2.149  -1.260  -7.511
   42    HA   VAL  28           HA       VAL  28   0.205  -2.212  -5.737
   43    HB   VAL  28           HB       VAL  28   0.554   0.329  -7.348
   44   1HG1  VAL  28          1HG1      VAL  28  -1.079   1.132  -5.368
   45   2HG1  VAL  28          2HG1      VAL  28  -1.638   0.782  -7.017
   46   3HG1  VAL  28          3HG1      VAL  28  -1.827  -0.423  -5.736
   47   1HG2  VAL  28          1HG2      VAL  28   1.651   1.114  -5.499
   48   2HG2  VAL  28          2HG2      VAL  28   0.659   0.195  -4.351
   49   3HG2  VAL  28          3HG2      VAL  28   1.954  -0.606  -5.233
   50    H    GLN  29           H        GLN  29  -0.115  -1.395  -9.152
   51    HA   GLN  29           HA       GLN  29  -2.768  -2.076  -9.658
   52   1HB   GLN  29          2HB       GLN  29  -0.266  -2.171 -11.325
   53   2HB   GLN  29          3HB       GLN  29  -1.823  -2.655 -11.984
   54   1HG   GLN  29          2HG       GLN  29  -1.424   0.061 -10.648
   55   2HG   GLN  29          3HG       GLN  29  -1.113  -0.228 -12.361
   56   1HE2  GLN  29          1HE2      GLN  29  -3.598   0.366  -9.978
   57   2HE2  GLN  29          2HE2      GLN  29  -4.940   0.263 -11.085
   58    H    GLN  30           H        GLN  30  -0.109  -4.262  -8.828
   59    HA   GLN  30           HA       GLN  30  -2.006  -6.499  -9.156
   60   1HB   GLN  30          2HB       GLN  30  -0.121  -6.121 -11.043
   61   2HB   GLN  30          3HB       GLN  30   0.882  -7.005  -9.897
   62   1HG   GLN  30          2HG       GLN  30  -1.836  -7.822 -10.992
   63   2HG   GLN  30          3HG       GLN  30  -0.271  -8.417 -11.580
   64   1HE2  GLN  30          1HE2      GLN  30   0.660 -10.209 -10.541
   65   2HE2  GLN  30          2HE2      GLN  30  -0.092 -10.985  -9.156
   66    H    LYS  31           H        LYS  31  -1.646  -5.206  -6.830
   67    HA   LYS  31           HA       LYS  31  -1.238  -7.529  -5.207
   68   1HB   LYS  31          2HB       LYS  31   0.950  -5.499  -5.276
   69   2HB   LYS  31          3HB       LYS  31   0.437  -5.999  -3.675
   70   1HG   LYS  31          2HG       LYS  31   1.516  -7.962  -3.779
   71   2HG   LYS  31          3HG       LYS  31   0.855  -8.347  -5.366
   72   1HD   LYS  31          2HD       LYS  31   2.508  -6.747  -6.382
   73   2HD   LYS  31          3HD       LYS  31   3.257  -6.554  -4.784
   74   1HE   LYS  31          2HE       LYS  31   2.903  -9.295  -6.081
   75   2HE   LYS  31          3HE       LYS  31   4.236  -8.238  -6.526
   76   1HZ   LYS  31          1HZ       LYS  31   3.796  -9.127  -3.718
   77   2HZ   LYS  31          2HZ       LYS  31   4.894  -9.737  -4.816
   78   3HZ   LYS  31          3HZ       LYS  31   5.030  -8.223  -4.314
   79    H    CYS  32           H        CYS  32  -1.185  -3.909  -5.006
   80    HA   CYS  32           HA       CYS  32  -2.624  -4.100  -2.498
   81   1HB   CYS  32          2HB       CYS  32  -2.254  -1.534  -3.996
   82   2HB   CYS  32          3HB       CYS  32  -2.373  -1.812  -2.269
   83    H    ILE  33           H        ILE  33  -3.434  -2.878  -5.725
   84    HA   ILE  33           HA       ILE  33  -6.081  -2.129  -5.133
   85    HB   ILE  33           HB       ILE  33  -6.525  -2.213  -7.479
   86   1HG1  ILE  33          2HG1      ILE  33  -4.459  -2.936  -8.937
   87   2HG1  ILE  33          3HG1      ILE  33  -4.170  -4.083  -7.622
   88   1HG2  ILE  33          1HG2      ILE  33  -3.665  -1.265  -7.082
   89   2HG2  ILE  33          2HG2      ILE  33  -4.846  -0.677  -8.248
   90   3HG2  ILE  33          3HG2      ILE  33  -5.098  -0.389  -6.517
   91   1HD1  ILE  33          1HD1      ILE  33  -6.541  -3.730  -9.497
   92   2HD1  ILE  33          2HD1      ILE  33  -5.446  -5.116  -9.375
   93   3HD1  ILE  33          3HD1      ILE  33  -6.642  -4.819  -8.098
   94    H    SER  34           H        SER  34  -4.747  -5.322  -5.592
   95    HA   SER  34           HA       SER  34  -6.885  -6.923  -6.210
   96   1HB   SER  34          2HB       SER  34  -4.487  -7.617  -5.629
   97   2HB   SER  34          3HB       SER  34  -4.983  -7.556  -3.924
   98    HG   SER  34           HG       SER  34  -6.736  -9.028  -4.637
   99    H    CYS  35           H        CYS  35  -6.332  -5.220  -3.136
  100    HA   CYS  35           HA       CYS  35  -9.093  -6.026  -2.254
  101   1HB   CYS  35          2HB       CYS  35  -6.854  -5.073  -0.489
  102   2HB   CYS  35          3HB       CYS  35  -8.409  -5.768   0.003
  103    H    HIS  36           HN       HIS  36  -6.683  -3.382  -2.521
  104    HA   HIS  36           HA       HIS  36  -8.477  -1.385  -1.459
  105   1HB   HIS  36          2HB       HIS  36  -5.710  -1.287  -2.708
  106   2HB   HIS  36          3HB       HIS  36  -6.573   0.125  -2.116
  107    HD1  HIS  36           HD1      HIS  36  -7.191   0.168   0.543
  108    HD2  HIS  36           HD2      HIS  36  -4.371  -2.656  -0.773
  109    HE1  HIS  36           1HE      HIS  36  -5.905  -0.552   2.598
  110    H    GLY  37           H        GLY  37  -8.584  -2.878  -4.445
  111   1HA   GLY  37          1HA       GLY  37 -10.608  -2.470  -5.544
  112   2HA   GLY  37          2HA       GLY  37 -10.422  -0.722  -5.367
  113    H    GLY  38           H        GLY  38  -8.745   0.289  -6.640
  114   1HA   GLY  38          1HA       GLY  38  -7.533  -0.976  -8.985
  115   2HA   GLY  38          2HA       GLY  38  -9.055  -0.151  -9.347
  116    H    ASP  39           H        ASP  39  -9.145   1.958  -7.771
  117    HA   ASP  39           HA       ASP  39  -6.839   3.646  -8.577
  118   1HB   ASP  39          2HB       ASP  39  -9.799   4.149  -8.187
  119   2HB   ASP  39          3HB       ASP  39  -8.651   5.471  -7.968
  120    H    LEU  40           H        LEU  40  -7.542   1.869  -5.790
  121    HA   LEU  40           HA       LEU  40  -6.629   2.041  -3.796
  122   1HB   LEU  40          2HB       LEU  40  -5.795   4.927  -4.284
  123   2HB   LEU  40          3HB       LEU  40  -5.222   3.857  -3.068
  124    HG   LEU  40           HG       LEU  40  -4.808   3.002  -5.952
  125   1HD1  LEU  40          1HD1      LEU  40  -2.681   4.249  -5.965
  126   2HD1  LEU  40          2HD1      LEU  40  -4.143   5.257  -6.012
  127   3HD1  LEU  40          3HD1      LEU  40  -3.208   5.119  -4.500
  128   1HD2  LEU  40          1HD2      LEU  40  -2.998   2.713  -3.550
  129   2HD2  LEU  40          2HD2      LEU  40  -4.284   1.535  -3.942
  130   3HD2  LEU  40          3HD2      LEU  40  -3.008   1.863  -5.111
  131    H    THR  41           H        THR  41  -9.275   3.007  -4.842
  132    HA   THR  41           HA       THR  41 -10.299   5.088  -3.106
  133    HB   THR  41           HB       THR  41 -12.389   4.283  -4.494
  134    HG1  THR  41           1HG      THR  41 -11.714   2.326  -5.239
  135   1HG2  THR  41          1HG2      THR  41  -9.893   5.408  -5.851
  136   2HG2  THR  41          2HG2      THR  41 -11.524   5.423  -6.550
  137   3HG2  THR  41          3HG2      THR  41 -11.186   6.331  -5.064
  138    H    GLY  42           H        GLY  42  -9.752   1.699  -2.949
  139   1HA   GLY  42          1HA       GLY  42 -10.157   0.392  -1.061
  140   2HA   GLY  42          2HA       GLY  42 -11.546   1.395  -0.597
  141    H    ALA  43           H        ALA  43 -11.728  -1.303  -0.794
  142    HA   ALA  43           HA       ALA  43 -14.047  -1.609  -2.451
  143   1HB   ALA  43          1HB       ALA  43 -12.563  -2.016  -4.306
  144   2HB   ALA  43          2HB       ALA  43 -11.564  -3.140  -3.365
  145   3HB   ALA  43          3HB       ALA  43 -13.226  -3.576  -3.802
  146    H    SER  44           H        SER  44 -11.541  -3.950  -1.425
  147    HA   SER  44           HA       SER  44 -13.440  -5.131   0.563
  148   1HB   SER  44          2HB       SER  44 -10.880  -6.257  -0.622
  149   2HB   SER  44          3HB       SER  44 -12.008  -7.086   0.469
  150    HG   SER  44           HG       SER  44 -12.408  -7.586  -1.755
  151    H    ALA  45           H        ALA  45 -11.240  -2.725   0.509
  152    HA   ALA  45           HA       ALA  45 -10.223  -3.099   3.217
  153   1HB   ALA  45          1HB       ALA  45  -8.628  -4.272   1.681
  154   2HB   ALA  45          2HB       ALA  45  -8.458  -2.783   0.727
  155   3HB   ALA  45          3HB       ALA  45  -7.869  -2.851   2.388
  156    HA   PRO  46           HA       PRO  46 -10.996   1.208   3.153
  157   1HB   PRO  46          2HB       PRO  46  -8.968   2.398   4.622
  158   2HB   PRO  46          3HB       PRO  46 -10.258   1.384   5.326
  159   1HG   PRO  46          2HG       PRO  46  -7.440   0.588   4.614
  160   2HG   PRO  46          3HG       PRO  46  -8.375   0.186   6.083
  161   1HD   PRO  46          2HD       PRO  46  -8.083  -1.501   3.968
  162   2HD   PRO  46          3HD       PRO  46  -9.569  -1.514   4.955
  163    H    ALA  47           H        ALA  47 -10.356   3.358   2.306
  164    HA   ALA  47           HA       ALA  47  -8.935   3.031  -0.182
  165   1HB   ALA  47          1HB       ALA  47 -10.964   4.480   0.187
  166   2HB   ALA  47          2HB       ALA  47  -9.946   5.597   1.110
  167   3HB   ALA  47          3HB       ALA  47  -9.606   5.309  -0.609
  168    H    ILE  48           H        ILE  48  -6.776   3.283  -0.483
  169    HA   ILE  48           HA       ILE  48  -5.172   4.742   1.583
  170    HB   ILE  48           HB       ILE  48  -3.221   3.508   0.762
  171   1HG1  ILE  48          2HG1      ILE  48  -5.129   1.664  -0.707
  172   2HG1  ILE  48          3HG1      ILE  48  -4.218   2.963  -1.494
  173   1HG2  ILE  48          1HG2      ILE  48  -5.576   1.891   1.820
  174   2HG2  ILE  48          2HG2      ILE  48  -3.882   1.395   1.911
  175   3HG2  ILE  48          3HG2      ILE  48  -4.420   2.845   2.766
  176   1HD1  ILE  48          1HD1      ILE  48  -2.107   2.033  -0.960
  177   2HD1  ILE  48          2HD1      ILE  48  -2.839   0.782   0.066
  178   3HD1  ILE  48          3HD1      ILE  48  -3.102   0.753  -1.678
  179    H    ASP  49           H        ASP  49  -6.617   5.331  -1.320
  180    HA   ASP  49           HA       ASP  49  -5.036   6.708  -2.982
  181   1HB   ASP  49          2HB       ASP  49  -7.458   6.659  -3.133
  182   2HB   ASP  49          3HB       ASP  49  -7.617   7.637  -1.664
  183    H    LYS  50           H        LYS  50  -5.795   7.912   0.325
  184    HA   LYS  50           HA       LYS  50  -3.877  10.167  -0.079
  185   1HB   LYS  50          2HB       LYS  50  -6.423   9.943   1.565
  186   2HB   LYS  50          3HB       LYS  50  -5.263  11.269   1.729
  187   1HG   LYS  50          2HG       LYS  50  -6.075  12.341  -0.058
  188   2HG   LYS  50          3HG       LYS  50  -5.777  10.963  -1.087
  189   1HD   LYS  50          2HD       LYS  50  -8.022  11.497  -1.326
  190   2HD   LYS  50          3HD       LYS  50  -7.967   9.971  -0.444
  191   1HE   LYS  50          2HE       LYS  50  -8.545  11.076   1.654
  192   2HE   LYS  50          3HE       LYS  50  -8.240  12.679   0.963
  193   1HZ   LYS  50          1HZ       LYS  50 -10.104  12.380  -0.477
  194   2HZ   LYS  50          2HZ       LYS  50 -10.403  10.876   0.115
  195   3HZ   LYS  50          3HZ       LYS  50 -10.579  12.196   1.088
  196    H    ALA  51           H        ALA  51  -3.279   7.327   0.725
  197    HA   ALA  51           HA       ALA  51  -2.843   7.203   3.513
  198   1HB   ALA  51          1HB       ALA  51  -2.721   5.239   2.129
  199   2HB   ALA  51          2HB       ALA  51  -1.284   5.881   1.285
  200   3HB   ALA  51          3HB       ALA  51  -1.207   5.461   3.012
  201    H    GLY  52           H        GLY  52  -0.722   8.496   0.843
  202   1HA   GLY  52          1HA       GLY  52   1.563   9.033   2.307
  203   2HA   GLY  52          2HA       GLY  52   0.970   9.992   0.938
  204    H    ALA  53           H        ALA  53  -1.536  10.678   2.620
  205    HA   ALA  53           HA       ALA  53  -0.312  13.029   3.997
  206   1HB   ALA  53          1HB       ALA  53  -3.216  12.365   3.370
  207   2HB   ALA  53          2HB       ALA  53  -2.597  13.862   4.100
  208   3HB   ALA  53          3HB       ALA  53  -2.170  13.451   2.427
  209    H    ASN  54           H        ASN  54  -2.320  10.147   4.556
  210    HA   ASN  54           HA       ASN  54  -2.817  10.588   7.336
  211   1HB   ASN  54          2HB       ASN  54  -3.085   8.360   5.410
  212   2HB   ASN  54          3HB       ASN  54  -2.601   7.803   7.002
  213   1HD2  ASN  54          1HD2      ASN  54  -5.175   9.344   5.157
  214   2HD2  ASN  54          2HD2      ASN  54  -6.368   9.231   6.447
  215    H    TYR  55           H        TYR  55  -0.183   8.778   5.681
  216    HA   TYR  55           HA       TYR  55   1.463   8.879   8.162
  217   1HB   TYR  55          2HB       TYR  55   1.118   6.418   6.453
  218   2HB   TYR  55          3HB       TYR  55   1.863   6.531   8.036
  219    HD1  TYR  55           HD1      TYR  55  -0.578   4.874   6.586
  220    HD2  TYR  55           HD2      TYR  55  -0.141   7.723   9.791
  221    HE1  TYR  55           HE1      TYR  55  -2.725   4.158   7.547
  222    HE2  TYR  55           HE2      TYR  55  -2.422   7.144  10.601
  223    HH   TYR  55           HH       TYR  55  -4.525   4.882   8.772
  224    H    SER  56           H        SER  56   3.790   8.573   7.694
  225    HA   SER  56           HA       SER  56   4.584   9.633   5.094
  226   1HB   SER  56          2HB       SER  56   6.886   9.310   6.343
  227   2HB   SER  56          3HB       SER  56   5.743  10.542   6.888
  228    HG   SER  56           HG       SER  56   6.090   7.967   8.049
  229    H    GLU  57           H        GLU  57   6.523   8.588   4.017
  230    HA   GLU  57           HA       GLU  57   5.929   6.102   2.910
  231   1HB   GLU  57          2HB       GLU  57   8.292   6.013   2.230
  232   2HB   GLU  57          3HB       GLU  57   7.414   7.442   1.716
  233   1HG   GLU  57          2HG       GLU  57   9.136   7.555   4.196
  234   2HG   GLU  57          3HG       GLU  57   9.800   7.651   2.574
  235    H    GLU  58           H        GLU  58   8.045   6.810   5.692
  236    HA   GLU  58           HA       GLU  58   9.017   4.209   6.070
  237   1HB   GLU  58          2HB       GLU  58   9.641   6.554   7.131
  238   2HB   GLU  58          3HB       GLU  58   8.536   6.066   8.422
  239   1HG   GLU  58          2HG       GLU  58   9.924   4.060   8.819
  240   2HG   GLU  58          3HG       GLU  58  10.936   4.464   7.417
  241    H    GLU  59           H        GLU  59   5.938   5.671   7.099
  242    HA   GLU  59           HA       GLU  59   5.281   3.558   9.028
  243   1HB   GLU  59          2HB       GLU  59   3.907   6.002   7.898
  244   2HB   GLU  59          3HB       GLU  59   3.097   4.882   9.018
  245   1HG   GLU  59          2HG       GLU  59   5.757   6.129   9.792
  246   2HG   GLU  59          3HG       GLU  59   4.252   7.051   9.937
  247    H    ILE  60           H        ILE  60   4.226   4.754   5.800
  248    HA   ILE  60           HA       ILE  60   2.240   2.763   5.405
  249    HB   ILE  60           HB       ILE  60   3.832   4.315   3.357
  250   1HG1  ILE  60          2HG1      ILE  60   1.072   4.691   4.574
  251   2HG1  ILE  60          3HG1      ILE  60   2.513   5.611   4.936
  252   1HG2  ILE  60          1HG2      ILE  60   3.017   2.617   2.018
  253   2HG2  ILE  60          2HG2      ILE  60   1.712   2.177   3.124
  254   3HG2  ILE  60          3HG2      ILE  60   1.532   3.557   2.052
  255   1HD1  ILE  60          1HD1      ILE  60   1.047   5.605   2.279
  256   2HD1  ILE  60          2HD1      ILE  60   1.279   6.926   3.422
  257   3HD1  ILE  60          3HD1      ILE  60   2.668   6.312   2.517
  258    H    LEU  61           H        LEU  61   5.726   2.895   4.657
  259    HA   LEU  61           HA       LEU  61   5.973   0.451   3.327
  260   1HB   LEU  61          2HB       LEU  61   7.770   2.125   3.420
  261   2HB   LEU  61          3HB       LEU  61   7.966   1.858   5.156
  262    HG   LEU  61           HG       LEU  61   8.724  -0.434   4.756
  263   1HD1  LEU  61          1HD1      LEU  61   7.455  -1.112   2.823
  264   2HD1  LEU  61          2HD1      LEU  61   8.090   0.224   1.856
  265   3HD1  LEU  61          3HD1      LEU  61   9.150  -1.128   2.326
  266   1HD2  LEU  61          1HD2      LEU  61  10.370   1.402   4.683
  267   2HD2  LEU  61          2HD2      LEU  61  10.827   0.086   3.586
  268   3HD2  LEU  61          3HD2      LEU  61  10.108   1.577   2.935
  269    H    ASP  62           H        ASP  62   6.328   1.164   6.876
  270    HA   ASP  62           HA       ASP  62   6.620  -1.474   7.723
  271   1HB   ASP  62          2HB       ASP  62   6.701   0.657   9.120
  272   2HB   ASP  62          3HB       ASP  62   4.933   0.564   9.223
  273    H    ILE  63           H        ILE  63   3.507   0.300   7.172
  274    HA   ILE  63           HA       ILE  63   1.897  -2.029   7.804
  275    HB   ILE  63           HB       ILE  63   1.266   0.416   6.067
  276   1HG1  ILE  63          2HG1      ILE  63   0.405  -0.025   8.925
  277   2HG1  ILE  63          3HG1      ILE  63   1.894   0.815   8.497
  278   1HG2  ILE  63          1HG2      ILE  63  -1.164  -0.213   6.690
  279   2HG2  ILE  63          2HG2      ILE  63  -0.377  -1.253   5.505
  280   3HG2  ILE  63          3HG2      ILE  63  -0.521  -1.772   7.200
  281   1HD1  ILE  63          1HD1      ILE  63   0.139   2.438   8.893
  282   2HD1  ILE  63          2HD1      ILE  63   0.689   2.501   7.212
  283   3HD1  ILE  63          3HD1      ILE  63  -0.862   1.739   7.617
  284    H    ILE  64           H        ILE  64   3.496  -1.191   4.778
  285    HA   ILE  64           HA       ILE  64   2.092  -3.294   3.305
  286    HB   ILE  64           HB       ILE  64   4.676  -1.805   2.756
  287   1HG1  ILE  64          2HG1      ILE  64   2.045  -1.613   1.265
  288   2HG1  ILE  64          3HG1      ILE  64   2.264  -0.667   2.728
  289   1HG2  ILE  64          1HG2      ILE  64   3.117  -3.811   1.081
  290   2HG2  ILE  64          2HG2      ILE  64   4.351  -2.726   0.414
  291   3HG2  ILE  64          3HG2      ILE  64   4.803  -3.952   1.605
  292   1HD1  ILE  64          1HD1      ILE  64   4.232   0.434   1.829
  293   2HD1  ILE  64          2HD1      ILE  64   4.108  -0.479   0.312
  294   3HD1  ILE  64          3HD1      ILE  64   2.838   0.669   0.773
  295    H    LEU  65           H        LEU  65   5.204  -3.036   5.022
  296    HA   LEU  65           HA       LEU  65   6.078  -5.686   4.412
  297   1HB   LEU  65          2HB       LEU  65   6.935  -3.694   6.537
  298   2HB   LEU  65          3HB       LEU  65   7.764  -5.216   6.225
  299    HG   LEU  65           HG       LEU  65   7.463  -2.941   4.215
  300   1HD1  LEU  65          1HD1      LEU  65   9.887  -3.944   5.767
  301   2HD1  LEU  65          2HD1      LEU  65   9.875  -2.625   4.579
  302   3HD1  LEU  65          3HD1      LEU  65   8.995  -2.447   6.109
  303   1HD2  LEU  65          1HD2      LEU  65   9.183  -4.219   2.916
  304   2HD2  LEU  65          2HD2      LEU  65   8.924  -5.588   4.017
  305   3HD2  LEU  65          3HD2      LEU  65   7.605  -5.010   2.963
  306    H    ASN  66           H        ASN  66   3.993  -4.501   7.096
  307    HA   ASN  66           HA       ASN  66   4.418  -7.152   8.492
  308   1HB   ASN  66          2HB       ASN  66   4.088  -4.394   9.720
  309   2HB   ASN  66          3HB       ASN  66   4.227  -5.921  10.604
  310   1HD2  ASN  66          1HD2      ASN  66   5.958  -3.300  10.110
  311   2HD2  ASN  66          2HD2      ASN  66   7.577  -3.963   9.969
  312    H    GLY  67           H        GLY  67   2.570  -6.119   6.610
  313   1HA   GLY  67          1HA       GLY  67   0.374  -5.319   6.210
  314   2HA   GLY  67          2HA       GLY  67  -0.075  -6.828   6.844
  315    H    GLN  68           H        GLN  68  -1.897  -6.192   8.249
  316    HA   GLN  68           HA       GLN  68  -1.758  -4.776  10.633
  317   1HB   GLN  68          2HB       GLN  68  -1.213  -2.686   9.497
  318   2HB   GLN  68          3HB       GLN  68  -2.494  -2.941   8.303
  319   1HG   GLN  68          2HG       GLN  68  -4.155  -2.630  10.188
  320   2HG   GLN  68          3HG       GLN  68  -2.795  -2.332  11.276
  321   1HE2  GLN  68          1HE2      GLN  68  -5.171  -0.722   9.736
  322   2HE2  GLN  68          2HE2      GLN  68  -4.316   0.779   9.371
  323    H    GLY  69           H        GLY  69  -3.887  -5.013  11.725
  324   1HA   GLY  69          1HA       GLY  69  -5.741  -6.273  11.989
  325   2HA   GLY  69          2HA       GLY  69  -6.354  -5.054  10.879
  326    H    GLY  70           H        GLY  70  -7.356  -5.852   9.091
  327   1HA   GLY  70          1HA       GLY  70  -7.496  -8.672   8.529
  328   2HA   GLY  70          2HA       GLY  70  -8.151  -7.362   7.541
  329    H    MET  71           H        MET  71  -5.311  -6.172   7.415
  330    HA   MET  71           HA       MET  71  -4.644  -7.307   4.879
  331   1HB   MET  71          1HB       MET  71  -4.415  -4.893   5.659
  332   2HB   MET  71          2HB       MET  71  -3.008  -5.376   6.567
  333   1HG   MET  71          1HG       MET  71  -1.810  -6.054   4.703
  334   2HG   MET  71          2HG       MET  71  -3.158  -5.886   3.595
  335   1HE   MET  71          1HE       MET  71  -0.876  -4.829   2.502
  336   2HE   MET  71          2HE       MET  71  -0.174  -3.259   2.988
  337   3HE   MET  71          3HE       MET  71   0.023  -4.693   4.016
  338    HA   PRO  72           HA       PRO  72  -2.458 -10.677   6.829
  339   1HB   PRO  72          2HB       PRO  72  -1.014 -11.632   4.606
  340   2HB   PRO  72          3HB       PRO  72  -2.726 -12.004   4.990
  341   1HG   PRO  72          2HG       PRO  72  -1.584 -10.015   3.076
  342   2HG   PRO  72          3HG       PRO  72  -3.041 -11.015   2.872
  343   1HD   PRO  72          2HD       PRO  72  -3.168  -8.371   3.562
  344   2HD   PRO  72          3HD       PRO  72  -4.342  -9.546   4.196
  345    H    GLY  73           H        GLY  73  -0.388  -8.996   4.454
  346   1HA   GLY  73          1HA       GLY  73   1.255  -7.469   5.224
  347   2HA   GLY  73          2HA       GLY  73   1.685  -8.565   6.577
  348    H    GLY  74           H        GLY  74   3.321  -7.232   4.613
  349   1HA   GLY  74          1HA       GLY  74   5.275  -7.781   3.471
  350   2HA   GLY  74          2HA       GLY  74   5.054  -9.472   3.954
  351    H    ILE  75           H        ILE  75   2.447  -7.902   2.363
  352    HA   ILE  75           HA       ILE  75   2.113  -9.629   0.210
  353    HB   ILE  75           HB       ILE  75   1.094  -6.988   1.222
  354   1HG1  ILE  75          2HG1      ILE  75  -0.480  -9.242   0.005
  355   2HG1  ILE  75          3HG1      ILE  75   0.239  -9.387   1.617
  356   1HG2  ILE  75          1HG2      ILE  75   0.595  -7.951  -1.684
  357   2HG2  ILE  75          2HG2      ILE  75  -0.238  -6.609  -0.912
  358   3HG2  ILE  75          3HG2      ILE  75   1.466  -6.463  -1.291
  359   1HD1  ILE  75          1HD1      ILE  75  -0.996  -7.587   2.500
  360   2HD1  ILE  75          2HD1      ILE  75  -1.421  -6.961   0.907
  361   3HD1  ILE  75          3HD1      ILE  75  -2.166  -8.456   1.469
  362    H    ALA  76           H        ALA  76   3.775  -6.473   0.239
  363    HA   ALA  76           HA       ALA  76   5.460  -7.444  -1.991
  364   1HB   ALA  76          1HB       ALA  76   4.850  -4.559  -1.198
  365   2HB   ALA  76          2HB       ALA  76   5.904  -5.081  -2.525
  366   3HB   ALA  76          3HB       ALA  76   4.168  -5.401  -2.606
  367    H    LYS  77           H        LYS  77   7.747  -6.811  -1.803
  368    HA   LYS  77           HA       LYS  77   8.778  -6.247   0.926
  369   1HB   LYS  77          2HB       LYS  77   9.189  -8.727  -0.770
  370   2HB   LYS  77          3HB       LYS  77  10.485  -8.191   0.286
  371   1HG   LYS  77          2HG       LYS  77   7.691  -8.677   1.389
  372   2HG   LYS  77          3HG       LYS  77   8.847  -9.985   1.116
  373   1HD   LYS  77          2HD       LYS  77  10.546  -8.634   2.530
  374   2HD   LYS  77          3HD       LYS  77   9.207  -7.553   2.914
  375   1HE   LYS  77          2HE       LYS  77   9.433  -9.076   4.743
  376   2HE   LYS  77          3HE       LYS  77   7.946  -9.502   3.889
  377   1HZ   LYS  77          1HZ       LYS  77   9.251 -11.428   4.461
  378   2HZ   LYS  77          2HZ       LYS  77   9.179 -11.294   2.827
  379   3HZ   LYS  77          3HZ       LYS  77  10.553 -10.871   3.629
  380    H    GLY  78           H        GLY  78  11.074  -5.613   0.888
  381   1HA   GLY  78          1HA       GLY  78  12.879  -4.467   0.036
  382   2HA   GLY  78          2HA       GLY  78  12.681  -5.486  -1.403
  383    H    ALA  79           H        ALA  79  13.161  -3.843  -2.912
  384    HA   ALA  79           HA       ALA  79  12.169  -1.267  -3.119
  385   1HB   ALA  79          1HB       ALA  79  12.597  -3.217  -5.401
  386   2HB   ALA  79          2HB       ALA  79  12.491  -1.447  -5.514
  387   3HB   ALA  79          3HB       ALA  79  13.840  -2.192  -4.637
  388    H    GLU  80           H        GLU  80  10.481  -4.311  -3.786
  389    HA   GLU  80           HA       GLU  80   8.289  -3.278  -5.252
  390   1HB   GLU  80          2HB       GLU  80   9.181  -5.774  -4.683
  391   2HB   GLU  80          3HB       GLU  80   7.968  -5.611  -3.408
  392   1HG   GLU  80          2HG       GLU  80   6.312  -5.037  -5.190
  393   2HG   GLU  80          3HG       GLU  80   7.533  -5.446  -6.405
  394    H    ALA  81           H        ALA  81   9.030  -3.338  -1.796
  395    HA   ALA  81           HA       ALA  81   6.329  -2.292  -1.092
  396   1HB   ALA  81          1HB       ALA  81   7.007  -2.603   1.199
  397   2HB   ALA  81          2HB       ALA  81   7.256  -4.094   0.292
  398   3HB   ALA  81          3HB       ALA  81   8.651  -3.076   0.704
  399    H    GLU  82           H        GLU  82   9.813  -1.441  -0.674
  400    HA   GLU  82           HA       GLU  82   9.559   1.115   0.417
  401   1HB   GLU  82          2HB       GLU  82  11.598  -0.198  -1.368
  402   2HB   GLU  82          3HB       GLU  82  11.783   1.501  -0.926
  403   1HG   GLU  82          2HG       GLU  82  11.907   0.985   1.401
  404   2HG   GLU  82          3HG       GLU  82  11.436  -0.709   1.136
  405    H    ALA  83           H        ALA  83   9.740   0.321  -3.113
  406    HA   ALA  83           HA       ALA  83   9.554   3.039  -3.948
  407   1HB   ALA  83          1HB       ALA  83   8.651   0.555  -5.472
  408   2HB   ALA  83          2HB       ALA  83   9.035   2.148  -6.147
  409   3HB   ALA  83          3HB       ALA  83  10.321   1.173  -5.412
  410    H    VAL  84           H        VAL  84   7.085   0.516  -3.357
  411    HA   VAL  84           HA       VAL  84   4.840   2.015  -4.262
  412    HB   VAL  84           HB       VAL  84   5.119  -0.325  -2.349
  413   1HG1  VAL  84          1HG1      VAL  84   2.640   1.137  -3.316
  414   2HG1  VAL  84          2HG1      VAL  84   2.630  -0.545  -2.740
  415   3HG1  VAL  84          3HG1      VAL  84   3.101   0.774  -1.646
  416   1HG2  VAL  84          1HG2      VAL  84   4.078   0.002  -5.192
  417   2HG2  VAL  84          2HG2      VAL  84   5.645  -0.690  -4.772
  418   3HG2  VAL  84          3HG2      VAL  84   4.154  -1.515  -4.274
  419    H    ALA  85           H        ALA  85   6.056   1.575  -0.929
  420    HA   ALA  85           HA       ALA  85   4.376   3.423   0.341
  421   1HB   ALA  85          1HB       ALA  85   7.322   2.930   0.977
  422   2HB   ALA  85          2HB       ALA  85   6.072   3.563   2.064
  423   3HB   ALA  85          3HB       ALA  85   5.979   1.888   1.484
  424    H    ALA  86           H        ALA  86   7.588   4.061  -1.131
  425    HA   ALA  86           HA       ALA  86   7.674   6.837  -0.546
  426   1HB   ALA  86          1HB       ALA  86   9.004   5.289  -2.806
  427   2HB   ALA  86          2HB       ALA  86   9.463   6.908  -2.231
  428   3HB   ALA  86          3HB       ALA  86   9.637   5.505  -1.159
  429    H    TRP  87           H        TRP  87   6.318   5.076  -3.324
  430    HA   TRP  87           HA       TRP  87   5.659   7.390  -4.903
  431   1HB   TRP  87          2HB       TRP  87   5.950   5.204  -5.846
  432   2HB   TRP  87          3HB       TRP  87   4.716   4.521  -4.796
  433    HD1  TRP  87           HD1      TRP  87   5.000   6.843  -7.837
  434    HE1  TRP  87           HE1      TRP  87   2.926   6.516  -9.297
  435    HE3  TRP  87           HE3      TRP  87   2.353   3.785  -4.745
  436    HZ2  TRP  87           HZ2      TRP  87   0.384   5.100  -9.119
  437    HZ3  TRP  87           HZ3      TRP  87   0.084   3.012  -5.368
  438    HH2  TRP  87           HH2      TRP  87  -0.856   3.561  -7.607
  439    H    LEU  88           H        LEU  88   3.718   5.287  -2.695
  440    HA   LEU  88           HA       LEU  88   1.410   6.956  -2.848
  441   1HB   LEU  88          2HB       LEU  88   2.244   4.681  -1.111
  442   2HB   LEU  88          3HB       LEU  88   1.098   5.800  -0.396
  443    HG   LEU  88           HG       LEU  88   0.228   5.241  -3.134
  444   1HD1  LEU  88          1HD1      LEU  88   1.472   3.164  -2.816
  445   2HD1  LEU  88          2HD1      LEU  88   0.532   2.833  -1.339
  446   3HD1  LEU  88          3HD1      LEU  88  -0.292   2.927  -2.923
  447   1HD2  LEU  88          1HD2      LEU  88  -1.834   4.630  -2.024
  448   2HD2  LEU  88          2HD2      LEU  88  -1.004   4.453  -0.470
  449   3HD2  LEU  88          3HD2      LEU  88  -1.180   6.070  -1.215
  450    H    ALA  89           H        ALA  89   4.302   7.264  -0.810
  451    HA   ALA  89           HA       ALA  89   3.321   9.292   0.883
  452   1HB   ALA  89          1HB       ALA  89   5.511   8.260   1.094
  453   2HB   ALA  89          2HB       ALA  89   6.095   9.155  -0.330
  454   3HB   ALA  89          3HB       ALA  89   5.601  10.031   1.121
  455    H    GLU  90           H        GLU  90   4.339   9.480  -2.559
  456    HA   GLU  90           HA       GLU  90   3.840  12.347  -2.692
  457   1HB   GLU  90          2HB       GLU  90   4.711  10.247  -4.600
  458   2HB   GLU  90          3HB       GLU  90   3.633  11.467  -5.290
  459   1HG   GLU  90          2HG       GLU  90   5.085  13.269  -4.431
  460   2HG   GLU  90          3HG       GLU  90   6.184  12.057  -3.738
  461    H    LYS  91           H        LYS  91   1.850   9.372  -3.200
  462    HA   LYS  91           HA       LYS  91  -0.267  10.928  -4.460
  463   1HB   LYS  91          2HB       LYS  91  -0.331   8.074  -3.425
  464   2HB   LYS  91          3HB       LYS  91  -1.563   8.864  -4.369
  465   1HG   LYS  91          2HG       LYS  91   0.515   9.419  -6.009
  466   2HG   LYS  91          3HG       LYS  91   1.217   8.027  -5.207
  467   1HD   LYS  91          2HD       LYS  91   0.181   7.409  -7.282
  468   2HD   LYS  91          3HD       LYS  91  -0.686   6.612  -5.972
  469   1HE   LYS  91          2HE       LYS  91  -1.718   9.316  -6.869
  470   2HE   LYS  91          3HE       LYS  91  -1.837   8.028  -8.067
  471   1HZ   LYS  91          1HZ       LYS  91  -3.808   8.316  -6.592
  472   2HZ   LYS  91          2HZ       LYS  91  -3.208   6.798  -6.695
  473   3HZ   LYS  91          3HZ       LYS  91  -2.936   7.712  -5.352
  474    H    LYS  92           H        LYS  92  -1.414  12.390  -3.380
  475    HA   LYS  92           HA       LYS  92  -2.584  11.812  -0.770
  476   1HB   LYS  92          2HB       LYS  92  -1.002  14.336  -1.466
  477   2HB   LYS  92          3HB       LYS  92  -2.013  14.073  -0.031
  478   1HG   LYS  92          2HG       LYS  92  -0.546  12.100   0.528
  479   2HG   LYS  92          3HG       LYS  92   0.571  12.578  -0.731
  480   1HD   LYS  92          2HD       LYS  92  -0.163  14.854   1.055
  481   2HD   LYS  92          3HD       LYS  92   0.483  13.493   1.954
  482   1HE   LYS  92          2HE       LYS  92   2.245  15.067   1.384
  483   2HE   LYS  92          3HE       LYS  92   2.533  13.464   0.723
  484   1HZ   LYS  92          1HZ       LYS  92   1.450  15.751  -0.788
  485   2HZ   LYS  92          2HZ       LYS  92   2.993  15.178  -0.879
  486   3HZ   LYS  92          3HZ       LYS  92   1.743  14.252  -1.414
  487    HHA  HEC  93           HHA      HEC  93  -4.943  -0.531   6.302
  488    HHB  HEC  93           HHB      HEC  93  -0.509   0.627   1.840
  489    HHC  HEC  93           HHC      HEC  93  -1.838  -5.115  -0.816
  490    HHD  HEC  93           HHD      HEC  93  -6.851  -5.777   3.126
  491   1HMA  HEC  93          1HMA      HEC  93  -1.614   3.150   4.384
  492   2HMA  HEC  93          2HMA      HEC  93  -0.220   2.073   4.611
  493   3HMA  HEC  93          3HMA      HEC  93  -0.803   2.504   2.987
  494   1HAA  HEC  93          1HAA      HEC  93  -2.740   2.558   6.122
  495   2HAA  HEC  93          2HAA      HEC  93  -3.311   1.210   7.078
  496   1HBA  HEC  93          1HBA      HEC  93  -5.529   1.689   6.624
  497   2HBA  HEC  93          2HBA      HEC  93  -5.195   2.128   4.939
  498   1HMB  HEC  93          1HMB      HEC  93   1.409  -0.699  -0.903
  499   2HMB  HEC  93          2HMB      HEC  93  -0.064   0.085  -1.512
  500   3HMB  HEC  93          3HMB      HEC  93   0.607   0.537   0.042
  501    HAB  HEC  93           HAB      HEC  93  -0.309  -4.261  -1.942
  502   1HBB  HEC  93          1HBB      HEC  93   2.032  -4.049  -2.362
  503   2HBB  HEC  93          2HBB      HEC  93   2.178  -2.691  -1.241
  504   3HBB  HEC  93          3HBB      HEC  93   1.723  -4.291  -0.631
  505   1HMC  HEC  93          1HMC      HEC  93  -4.083  -8.097  -0.878
  506   2HMC  HEC  93          2HMC      HEC  93  -4.250  -6.611  -1.829
  507   3HMC  HEC  93          3HMC      HEC  93  -2.670  -7.104  -1.197
  508    HAC  HEC  93           HAC      HEC  93  -7.075  -7.200   1.574
  509   1HBC  HEC  93          1HBC      HEC  93  -6.550  -9.578   1.154
  510   2HBC  HEC  93          2HBC      HEC  93  -4.846  -9.146   0.912
  511   3HBC  HEC  93          3HBC      HEC  93  -5.631  -8.842   2.472
  512   1HMD  HEC  93          1HMD      HEC  93  -8.615  -4.993   4.444
  513   2HMD  HEC  93          2HMD      HEC  93  -7.668  -5.643   5.801
  514   3HMD  HEC  93          3HMD      HEC  93  -8.730  -4.248   6.037
  515   1HAD  HEC  93          1HAD      HEC  93  -8.094  -2.373   7.040
  516   2HAD  HEC  93          2HAD      HEC  93  -6.776  -1.241   7.229
  517   1HBD  HEC  93          1HBD      HEC  93  -5.356  -3.000   8.187
  518   2HBD  HEC  93          2HBD      HEC  93  -6.665  -4.174   7.981
  Start of MODEL   24
    1   1H    VAL  22          H1        VAL  22  11.764   0.176 -10.107
    2   2H    VAL  22          H2        VAL  22  11.733  -0.087  -8.496
    3   3H    VAL  22          H3        VAL  22  12.562  -1.141  -9.484
    4    HA   VAL  22           HA       VAL  22  10.580  -1.928 -10.440
    5    HB   VAL  22           HB       VAL  22  10.524  -1.680  -7.407
    6   1HG1  VAL  22          1HG1      VAL  22   8.210  -1.845  -7.817
    7   2HG1  VAL  22          2HG1      VAL  22   8.424  -2.977  -9.180
    8   3HG1  VAL  22          3HG1      VAL  22   8.746  -3.511  -7.533
    9   1HG2  VAL  22          1HG2      VAL  22  11.059  -4.046  -7.471
   10   2HG2  VAL  22          2HG2      VAL  22  10.822  -4.110  -9.225
   11   3HG2  VAL  22          3HG2      VAL  22  12.197  -3.213  -8.542
   12    H    ASP  23           H        ASP  23   8.495  -1.486 -11.167
   13    HA   ASP  23           HA       ASP  23   7.679   1.283 -11.055
   14   1HB   ASP  23          2HB       ASP  23   6.495  -1.233 -12.275
   15   2HB   ASP  23          3HB       ASP  23   5.786   0.384 -12.457
   16    H    ALA  24           H        ALA  24   7.150   1.799  -8.979
   17    HA   ALA  24           HA       ALA  24   5.716   0.546  -7.025
   18   1HB   ALA  24          1HB       ALA  24   5.478   3.443  -7.962
   19   2HB   ALA  24          2HB       ALA  24   4.872   2.821  -6.421
   20   3HB   ALA  24          3HB       ALA  24   6.615   2.794  -6.761
   21    H    GLU  25           H        GLU  25   4.230   2.446  -9.713
   22    HA   GLU  25           HA       GLU  25   1.580   1.915  -9.020
   23   1HB   GLU  25          2HB       GLU  25   2.430   2.222 -11.908
   24   2HB   GLU  25          3HB       GLU  25   0.943   2.684 -11.099
   25   1HG   GLU  25          2HG       GLU  25   2.839   4.163  -9.695
   26   2HG   GLU  25          3HG       GLU  25   3.573   4.105 -11.291
   27    H    ALA  26           H        ALA  26   3.800  -0.012 -11.112
   28    HA   ALA  26           HA       ALA  26   1.832  -1.865 -12.045
   29   1HB   ALA  26          1HB       ALA  26   3.671  -3.249 -12.718
   30   2HB   ALA  26          2HB       ALA  26   4.127  -1.563 -13.042
   31   3HB   ALA  26          3HB       ALA  26   4.782  -2.427 -11.623
   32    H    VAL  27           H        VAL  27   4.094  -1.885  -9.268
   33    HA   VAL  27           HA       VAL  27   3.377  -4.474  -8.276
   34    HB   VAL  27           HB       VAL  27   4.323  -1.937  -6.835
   35   1HG1  VAL  27          1HG1      VAL  27   4.902  -3.445  -4.951
   36   2HG1  VAL  27          2HG1      VAL  27   3.164  -3.472  -5.212
   37   3HG1  VAL  27          3HG1      VAL  27   4.171  -4.786  -5.833
   38   1HG2  VAL  27          1HG2      VAL  27   5.925  -2.855  -8.480
   39   2HG2  VAL  27          2HG2      VAL  27   6.473  -3.102  -6.818
   40   3HG2  VAL  27          3HG2      VAL  27   5.769  -4.456  -7.745
   41    H    VAL  28           H        VAL  28   2.155  -1.210  -7.323
   42    HA   VAL  28           HA       VAL  28   0.240  -2.247  -5.548
   43    HB   VAL  28           HB       VAL  28   0.441   0.323  -7.140
   44   1HG1  VAL  28          1HG1      VAL  28  -1.751   0.640  -6.801
   45   2HG1  VAL  28          2HG1      VAL  28  -1.888  -0.617  -5.575
   46   3HG1  VAL  28          3HG1      VAL  28  -1.287   0.962  -5.113
   47   1HG2  VAL  28          1HG2      VAL  28   1.785   0.948  -5.472
   48   2HG2  VAL  28          2HG2      VAL  28   0.598   0.531  -4.224
   49   3HG2  VAL  28          3HG2      VAL  28   1.714  -0.689  -4.820
   50    H    GLN  29           H        GLN  29  -0.072  -1.499  -8.953
   51    HA   GLN  29           HA       GLN  29  -2.699  -2.148  -9.469
   52   1HB   GLN  29          2HB       GLN  29  -0.213  -2.379 -11.113
   53   2HB   GLN  29          3HB       GLN  29  -1.770  -2.907 -11.730
   54   1HG   GLN  29          2HG       GLN  29  -1.397  -0.108 -10.542
   55   2HG   GLN  29          3HG       GLN  29  -0.979  -0.470 -12.215
   56   1HE2  GLN  29          1HE2      GLN  29  -3.639   0.039  -9.950
   57   2HE2  GLN  29          2HE2      GLN  29  -4.890  -0.012 -11.162
   58    H    GLN  30           H        GLN  30  -0.062  -4.382  -8.635
   59    HA   GLN  30           HA       GLN  30  -2.099  -6.473  -8.478
   60   1HB   GLN  30          2HB       GLN  30   0.448  -6.715 -10.138
   61   2HB   GLN  30          3HB       GLN  30  -0.285  -8.135  -9.369
   62   1HG   GLN  30          2HG       GLN  30  -2.514  -7.100 -10.446
   63   2HG   GLN  30          3HG       GLN  30  -1.324  -6.537 -11.629
   64   1HE2  GLN  30          1HE2      GLN  30   0.011  -8.326 -12.670
   65   2HE2  GLN  30          2HE2      GLN  30  -0.617  -9.968 -12.669
   66    H    LYS  31           H        LYS  31  -1.707  -5.461  -6.357
   67    HA   LYS  31           HA       LYS  31  -0.835  -7.524  -4.703
   68   1HB   LYS  31          2HB       LYS  31   1.224  -5.406  -5.130
   69   2HB   LYS  31          3HB       LYS  31   0.981  -5.928  -3.479
   70   1HG   LYS  31          2HG       LYS  31   2.132  -7.841  -3.724
   71   2HG   LYS  31          3HG       LYS  31   1.231  -8.290  -5.166
   72   1HD   LYS  31          2HD       LYS  31   2.708  -6.406  -6.311
   73   2HD   LYS  31          3HD       LYS  31   3.782  -6.684  -4.922
   74   1HE   LYS  31          2HE       LYS  31   2.829  -8.916  -6.790
   75   2HE   LYS  31          3HE       LYS  31   4.172  -7.850  -7.199
   76   1HZ   LYS  31          1HZ       LYS  31   4.135  -9.678  -4.901
   77   2HZ   LYS  31          2HZ       LYS  31   5.141  -9.648  -6.231
   78   3HZ   LYS  31          3HZ       LYS  31   5.249  -8.485  -5.127
   79    H    CYS  32           H        CYS  32  -1.497  -3.994  -5.029
   80    HA   CYS  32           HA       CYS  32  -2.700  -4.104  -2.303
   81   1HB   CYS  32          2HB       CYS  32  -2.310  -1.564  -3.794
   82   2HB   CYS  32          3HB       CYS  32  -2.382  -1.849  -2.080
   83    H    ILE  33           H        ILE  33  -3.380  -2.858  -5.557
   84    HA   ILE  33           HA       ILE  33  -6.003  -2.049  -4.978
   85    HB   ILE  33           HB       ILE  33  -6.412  -1.982  -7.297
   86   1HG1  ILE  33          2HG1      ILE  33  -4.510  -2.792  -8.852
   87   2HG1  ILE  33          3HG1      ILE  33  -4.142  -3.959  -7.566
   88   1HG2  ILE  33          1HG2      ILE  33  -4.918  -0.318  -7.742
   89   2HG2  ILE  33          2HG2      ILE  33  -4.496  -0.553  -6.045
   90   3HG2  ILE  33          3HG2      ILE  33  -3.509  -1.278  -7.323
   91   1HD1  ILE  33          1HD1      ILE  33  -6.618  -4.725  -7.935
   92   2HD1  ILE  33          2HD1      ILE  33  -6.635  -3.572  -9.278
   93   3HD1  ILE  33          3HD1      ILE  33  -5.512  -4.940  -9.294
   94    H    SER  34           H        SER  34  -4.786  -5.303  -5.625
   95    HA   SER  34           HA       SER  34  -6.851  -6.895  -6.124
   96   1HB   SER  34          2HB       SER  34  -5.033  -7.272  -3.716
   97   2HB   SER  34          3HB       SER  34  -5.702  -8.515  -4.793
   98    HG   SER  34           HG       SER  34  -3.636  -8.117  -5.517
   99    H    CYS  35           H        CYS  35  -6.372  -5.187  -3.012
  100    HA   CYS  35           HA       CYS  35  -9.172  -5.923  -2.209
  101   1HB   CYS  35          2HB       CYS  35  -6.966  -4.973  -0.396
  102   2HB   CYS  35          3HB       CYS  35  -8.520  -5.702   0.051
  103    H    HIS  36           HN       HIS  36  -6.768  -3.306  -2.559
  104    HA   HIS  36           HA       HIS  36  -8.550  -1.273  -1.508
  105   1HB   HIS  36          2HB       HIS  36  -5.758  -1.237  -2.699
  106   2HB   HIS  36          3HB       HIS  36  -6.603   0.199  -2.133
  107    HD1  HIS  36           HD1      HIS  36  -7.333   0.197   0.530
  108    HD2  HIS  36           HD2      HIS  36  -4.428  -2.562  -0.756
  109    HE1  HIS  36           1HE      HIS  36  -6.066  -0.513   2.597
  110    H    GLY  37           H        GLY  37  -8.704  -2.794  -4.429
  111   1HA   GLY  37          1HA       GLY  37 -10.633  -2.343  -5.666
  112   2HA   GLY  37          2HA       GLY  37 -10.415  -0.600  -5.483
  113    H    GLY  38           H        GLY  38  -8.791   0.399  -6.739
  114   1HA   GLY  38          1HA       GLY  38  -7.388  -0.932  -8.954
  115   2HA   GLY  38          2HA       GLY  38  -8.886  -0.126  -9.434
  116    H    ASP  39           H        ASP  39  -9.046   2.026  -7.858
  117    HA   ASP  39           HA       ASP  39  -6.727   3.689  -8.626
  118   1HB   ASP  39          2HB       ASP  39  -8.984   4.195  -9.570
  119   2HB   ASP  39          3HB       ASP  39  -9.561   4.521  -7.927
  120    H    LEU  40           H        LEU  40  -7.507   1.924  -5.839
  121    HA   LEU  40           HA       LEU  40  -6.619   2.084  -3.837
  122   1HB   LEU  40          2HB       LEU  40  -5.695   4.924  -4.321
  123   2HB   LEU  40          3HB       LEU  40  -5.092   3.797  -3.149
  124    HG   LEU  40           HG       LEU  40  -4.819   3.007  -6.064
  125   1HD1  LEU  40          1HD1      LEU  40  -3.140   5.101  -4.683
  126   2HD1  LEU  40          2HD1      LEU  40  -2.690   4.234  -6.173
  127   3HD1  LEU  40          3HD1      LEU  40  -4.128   5.269  -6.157
  128   1HD2  LEU  40          1HD2      LEU  40  -2.708   2.687  -3.995
  129   2HD2  LEU  40          2HD2      LEU  40  -4.177   1.687  -3.834
  130   3HD2  LEU  40          3HD2      LEU  40  -3.270   1.650  -5.341
  131    H    THR  41           H        THR  41  -9.195   3.332  -4.958
  132    HA   THR  41           HA       THR  41 -10.148   5.351  -3.139
  133    HB   THR  41           HB       THR  41 -12.273   4.621  -4.530
  134    HG1  THR  41           1HG      THR  41 -11.604   2.668  -5.305
  135   1HG2  THR  41          1HG2      THR  41 -11.142   6.672  -5.093
  136   2HG2  THR  41          2HG2      THR  41  -9.770   5.814  -5.815
  137   3HG2  THR  41          3HG2      THR  41 -11.357   5.768  -6.599
  138    H    GLY  42           H        GLY  42  -9.690   1.910  -3.069
  139   1HA   GLY  42          1HA       GLY  42 -10.095   0.621  -1.187
  140   2HA   GLY  42          2HA       GLY  42 -11.442   1.656  -0.686
  141    H    ALA  43           H        ALA  43 -11.655  -1.061  -0.892
  142    HA   ALA  43           HA       ALA  43 -13.995  -1.344  -2.556
  143   1HB   ALA  43          1HB       ALA  43 -11.479  -2.818  -3.424
  144   2HB   ALA  43          2HB       ALA  43 -13.104  -3.429  -3.779
  145   3HB   ALA  43          3HB       ALA  43 -12.602  -1.849  -4.398
  146    H    SER  44           H        SER  44 -11.651  -3.849  -1.526
  147    HA   SER  44           HA       SER  44 -13.646  -4.907   0.424
  148   1HB   SER  44          2HB       SER  44 -11.018  -6.040  -0.607
  149   2HB   SER  44          3HB       SER  44 -12.117  -6.840   0.529
  150    HG   SER  44           HG       SER  44 -13.734  -6.743  -1.110
  151    H    ALA  45           H        ALA  45 -11.419  -2.500   0.459
  152    HA   ALA  45           HA       ALA  45 -10.620  -2.846   3.239
  153   1HB   ALA  45          1HB       ALA  45  -8.287  -2.977   2.731
  154   2HB   ALA  45          2HB       ALA  45  -9.009  -4.102   1.605
  155   3HB   ALA  45          3HB       ALA  45  -8.525  -2.488   1.045
  156    HA   PRO  46           HA       PRO  46 -11.070   1.467   3.129
  157   1HB   PRO  46          2HB       PRO  46  -8.942   2.557   4.573
  158   2HB   PRO  46          3HB       PRO  46 -10.348   1.713   5.278
  159   1HG   PRO  46          2HG       PRO  46  -7.583   0.673   4.799
  160   2HG   PRO  46          3HG       PRO  46  -8.708   0.307   6.135
  161   1HD   PRO  46          2HD       PRO  46  -8.224  -1.276   3.923
  162   2HD   PRO  46          3HD       PRO  46  -9.725  -1.395   4.893
  163    H    ALA  47           H        ALA  47 -10.336   3.577   2.324
  164    HA   ALA  47           HA       ALA  47  -8.957   3.259  -0.194
  165   1HB   ALA  47          1HB       ALA  47 -10.950   4.722   0.206
  166   2HB   ALA  47          2HB       ALA  47  -9.930   5.799   1.175
  167   3HB   ALA  47          3HB       ALA  47  -9.578   5.563  -0.553
  168    H    ILE  48           H        ILE  48  -6.807   3.321  -0.413
  169    HA   ILE  48           HA       ILE  48  -5.115   4.760   1.600
  170    HB   ILE  48           HB       ILE  48  -3.272   3.293   0.795
  171   1HG1  ILE  48          2HG1      ILE  48  -5.459   1.655  -0.530
  172   2HG1  ILE  48          3HG1      ILE  48  -4.337   2.715  -1.389
  173   1HG2  ILE  48          1HG2      ILE  48  -4.278   2.864   2.883
  174   2HG2  ILE  48          2HG2      ILE  48  -5.739   2.161   2.170
  175   3HG2  ILE  48          3HG2      ILE  48  -4.204   1.296   2.081
  176   1HD1  ILE  48          1HD1      ILE  48  -3.517   0.307   0.251
  177   2HD1  ILE  48          2HD1      ILE  48  -3.513   0.453  -1.510
  178   3HD1  ILE  48          3HD1      ILE  48  -2.407   1.439  -0.532
  179    H    ASP  49           H        ASP  49  -6.463   5.248  -1.381
  180    HA   ASP  49           HA       ASP  49  -4.778   6.505  -3.076
  181   1HB   ASP  49          2HB       ASP  49  -7.140   6.659  -3.384
  182   2HB   ASP  49          3HB       ASP  49  -7.387   7.388  -1.787
  183    H    LYS  50           H        LYS  50  -5.655   7.850   0.132
  184    HA   LYS  50           HA       LYS  50  -3.566   9.926  -0.249
  185   1HB   LYS  50          2HB       LYS  50  -4.882  11.342   1.202
  186   2HB   LYS  50          3HB       LYS  50  -5.836  10.750  -0.156
  187   1HG   LYS  50          2HG       LYS  50  -6.487   8.838   1.739
  188   2HG   LYS  50          3HG       LYS  50  -6.113  10.219   2.774
  189   1HD   LYS  50          2HD       LYS  50  -7.604  11.615   1.244
  190   2HD   LYS  50          3HD       LYS  50  -8.070  10.115   0.421
  191   1HE   LYS  50          2HE       LYS  50  -9.183   9.256   2.364
  192   2HE   LYS  50          3HE       LYS  50  -8.420  10.443   3.437
  193   1HZ   LYS  50          1HZ       LYS  50 -10.335  11.145   1.318
  194   2HZ   LYS  50          2HZ       LYS  50 -10.715  10.989   2.914
  195   3HZ   LYS  50          3HZ       LYS  50  -9.672  12.164   2.427
  196    H    ALA  51           H        ALA  51  -3.163   7.128   0.688
  197    HA   ALA  51           HA       ALA  51  -2.794   6.985   3.458
  198   1HB   ALA  51          1HB       ALA  51  -2.541   5.048   2.050
  199   2HB   ALA  51          2HB       ALA  51  -1.127   5.756   1.229
  200   3HB   ALA  51          3HB       ALA  51  -1.046   5.308   2.953
  201    H    GLY  52           H        GLY  52  -0.551   8.365   0.933
  202   1HA   GLY  52          1HA       GLY  52   1.609   9.027   2.514
  203   2HA   GLY  52          2HA       GLY  52   1.025   9.962   1.126
  204    H    ALA  53           H        ALA  53  -1.580  10.536   2.637
  205    HA   ALA  53           HA       ALA  53  -0.573  12.948   4.043
  206   1HB   ALA  53          1HB       ALA  53  -2.921  13.582   4.150
  207   2HB   ALA  53          2HB       ALA  53  -2.502  13.162   2.481
  208   3HB   ALA  53          3HB       ALA  53  -3.425  12.021   3.483
  209    H    ASN  54           H        ASN  54  -2.308   9.889   4.617
  210    HA   ASN  54           HA       ASN  54  -2.900  10.401   7.388
  211   1HB   ASN  54          2HB       ASN  54  -2.643   7.752   5.890
  212   2HB   ASN  54          3HB       ASN  54  -3.329   7.963   7.502
  213   1HD2  ASN  54          1HD2      ASN  54  -5.106   9.826   7.568
  214   2HD2  ASN  54          2HD2      ASN  54  -6.294   9.686   6.281
  215    H    TYR  55           H        TYR  55  -0.235   8.671   5.732
  216    HA   TYR  55           HA       TYR  55   1.415   8.702   8.192
  217   1HB   TYR  55          2HB       TYR  55   0.980   6.234   6.488
  218   2HB   TYR  55          3HB       TYR  55   1.741   6.335   8.064
  219    HD1  TYR  55           HD1      TYR  55  -1.005   5.042   6.493
  220    HD2  TYR  55           HD2      TYR  55   0.003   7.425   9.945
  221    HE1  TYR  55           HE1      TYR  55  -3.166   4.447   7.557
  222    HE2  TYR  55           HE2      TYR  55  -2.179   6.867  10.965
  223    HH   TYR  55           HH       TYR  55  -4.197   5.769  10.690
  224    H    SER  56           H        SER  56   3.692   8.709   7.663
  225    HA   SER  56           HA       SER  56   4.353   9.611   4.989
  226   1HB   SER  56          2HB       SER  56   6.165   8.815   7.310
  227   2HB   SER  56          3HB       SER  56   6.617   9.802   5.905
  228    HG   SER  56           HG       SER  56   6.059  11.076   7.750
  229    H    GLU  57           H        GLU  57   6.268   8.575   3.774
  230    HA   GLU  57           HA       GLU  57   5.855   6.007   2.881
  231   1HB   GLU  57          2HB       GLU  57   7.472   7.569   1.831
  232   2HB   GLU  57          3HB       GLU  57   8.533   7.404   3.229
  233   1HG   GLU  57          2HG       GLU  57   8.062   4.729   2.331
  234   2HG   GLU  57          3HG       GLU  57   8.329   5.692   0.892
  235    H    GLU  58           H        GLU  58   8.301   6.839   5.434
  236    HA   GLU  58           HA       GLU  58   9.025   4.290   6.090
  237   1HB   GLU  58          2HB       GLU  58   8.802   6.730   7.912
  238   2HB   GLU  58          3HB       GLU  58   9.645   5.230   8.330
  239   1HG   GLU  58          2HG       GLU  58  11.078   5.486   6.290
  240   2HG   GLU  58          3HG       GLU  58  10.339   7.057   5.979
  241    H    GLU  59           H        GLU  59   5.920   5.748   6.920
  242    HA   GLU  59           HA       GLU  59   5.341   3.760   9.035
  243   1HB   GLU  59          2HB       GLU  59   3.828   6.089   7.849
  244   2HB   GLU  59          3HB       GLU  59   3.220   5.053   9.161
  245   1HG   GLU  59          2HG       GLU  59   5.810   6.671   9.372
  246   2HG   GLU  59          3HG       GLU  59   4.224   7.306   9.827
  247    H    ILE  60           H        ILE  60   4.173   4.808   5.787
  248    HA   ILE  60           HA       ILE  60   2.146   2.839   5.480
  249    HB   ILE  60           HB       ILE  60   3.832   4.226   3.401
  250   1HG1  ILE  60          2HG1      ILE  60   1.036   4.749   4.498
  251   2HG1  ILE  60          3HG1      ILE  60   2.478   5.661   4.887
  252   1HG2  ILE  60          1HG2      ILE  60   1.095   3.243   2.679
  253   2HG2  ILE  60          2HG2      ILE  60   2.565   3.312   1.711
  254   3HG2  ILE  60          3HG2      ILE  60   2.289   1.976   2.830
  255   1HD1  ILE  60          1HD1      ILE  60   1.199   5.437   2.134
  256   2HD1  ILE  60          2HD1      ILE  60   1.285   6.853   3.189
  257   3HD1  ILE  60          3HD1      ILE  60   2.767   6.231   2.449
  258    H    LEU  61           H        LEU  61   5.601   2.923   4.605
  259    HA   LEU  61           HA       LEU  61   5.838   0.425   3.400
  260   1HB   LEU  61          2HB       LEU  61   7.636   2.113   3.344
  261   2HB   LEU  61          3HB       LEU  61   7.870   1.941   5.087
  262    HG   LEU  61           HG       LEU  61   8.607  -0.371   4.806
  263   1HD1  LEU  61          1HD1      LEU  61   7.292  -1.128   2.881
  264   2HD1  LEU  61          2HD1      LEU  61   8.056   0.079   1.839
  265   3HD1  LEU  61          3HD1      LEU  61   9.004  -1.279   2.480
  266   1HD2  LEU  61          1HD2      LEU  61  10.217   1.548   4.532
  267   2HD2  LEU  61          2HD2      LEU  61  10.715   0.040   3.740
  268   3HD2  LEU  61          3HD2      LEU  61  10.041   1.372   2.773
  269    H    ASP  62           H        ASP  62   6.126   1.343   6.903
  270    HA   ASP  62           HA       ASP  62   6.604  -1.267   7.830
  271   1HB   ASP  62          2HB       ASP  62   6.751   0.824   9.212
  272   2HB   ASP  62          3HB       ASP  62   4.980   0.828   9.315
  273    H    ILE  63           H        ILE  63   3.442   0.396   7.208
  274    HA   ILE  63           HA       ILE  63   1.857  -1.879   7.951
  275    HB   ILE  63           HB       ILE  63   1.192   0.342   5.979
  276   1HG1  ILE  63          2HG1      ILE  63   0.277   0.160   8.833
  277   2HG1  ILE  63          3HG1      ILE  63   1.769   0.993   8.395
  278   1HG2  ILE  63          1HG2      ILE  63  -1.188  -0.290   6.508
  279   2HG2  ILE  63          2HG2      ILE  63  -0.328  -1.569   5.663
  280   3HG2  ILE  63          3HG2      ILE  63  -0.581  -1.671   7.418
  281   1HD1  ILE  63          1HD1      ILE  63   0.742   2.734   7.345
  282   2HD1  ILE  63          2HD1      ILE  63  -0.691   1.807   6.886
  283   3HD1  ILE  63          3HD1      ILE  63  -0.483   2.343   8.561
  284    H    ILE  64           H        ILE  64   3.483  -1.113   4.863
  285    HA   ILE  64           HA       ILE  64   2.196  -3.295   3.440
  286    HB   ILE  64           HB       ILE  64   4.696  -1.678   2.860
  287   1HG1  ILE  64          2HG1      ILE  64   2.012  -1.631   1.443
  288   2HG1  ILE  64          3HG1      ILE  64   2.261  -0.648   2.876
  289   1HG2  ILE  64          1HG2      ILE  64   3.283  -3.833   1.252
  290   2HG2  ILE  64          2HG2      ILE  64   4.321  -2.614   0.491
  291   3HG2  ILE  64          3HG2      ILE  64   5.002  -3.739   1.671
  292   1HD1  ILE  64          1HD1      ILE  64   4.165   0.501   1.853
  293   2HD1  ILE  64          2HD1      ILE  64   3.948  -0.423   0.355
  294   3HD1  ILE  64          3HD1      ILE  64   2.693   0.700   0.906
  295    H    LEU  65           H        LEU  65   5.216  -2.956   5.262
  296    HA   LEU  65           HA       LEU  65   6.166  -5.626   4.676
  297   1HB   LEU  65          2HB       LEU  65   7.031  -3.459   6.620
  298   2HB   LEU  65          3HB       LEU  65   7.848  -5.004   6.467
  299    HG   LEU  65           HG       LEU  65   7.541  -2.919   4.260
  300   1HD1  LEU  65          1HD1      LEU  65   9.116  -2.299   6.095
  301   2HD1  LEU  65          2HD1      LEU  65  10.019  -3.799   5.799
  302   3HD1  LEU  65          3HD1      LEU  65   9.939  -2.546   4.545
  303   1HD2  LEU  65          1HD2      LEU  65   8.992  -5.590   4.215
  304   2HD2  LEU  65          2HD2      LEU  65   7.662  -5.063   3.150
  305   3HD2  LEU  65          3HD2      LEU  65   9.242  -4.291   3.030
  306    H    ASN  66           H        ASN  66   3.982  -4.354   7.177
  307    HA   ASN  66           HA       ASN  66   4.366  -6.903   8.748
  308   1HB   ASN  66          2HB       ASN  66   3.781  -4.148   9.888
  309   2HB   ASN  66          3HB       ASN  66   3.981  -5.656  10.778
  310   1HD2  ASN  66          1HD2      ASN  66   5.565  -3.114   9.085
  311   2HD2  ASN  66          2HD2      ASN  66   7.071  -3.237   9.919
  312    H    GLY  67           H        GLY  67   2.585  -5.817   6.650
  313   1HA   GLY  67          1HA       GLY  67   0.331  -5.269   6.117
  314   2HA   GLY  67          2HA       GLY  67   0.029  -6.766   6.855
  315    H    GLN  68           H        GLN  68  -1.884  -6.260   8.088
  316    HA   GLN  68           HA       GLN  68  -1.918  -4.973  10.519
  317   1HB   GLN  68          2HB       GLN  68  -1.472  -2.795   9.642
  318   2HB   GLN  68          3HB       GLN  68  -2.578  -3.007   8.277
  319   1HG   GLN  68          2HG       GLN  68  -4.476  -2.870   9.864
  320   2HG   GLN  68          3HG       GLN  68  -3.351  -2.853  11.227
  321   1HE2  GLN  68          1HE2      GLN  68  -4.663  -0.979   8.516
  322   2HE2  GLN  68          2HE2      GLN  68  -4.053   0.569   9.101
  323    H    GLY  69           H        GLY  69  -3.924  -5.734  11.550
  324   1HA   GLY  69          1HA       GLY  69  -5.716  -7.050  11.626
  325   2HA   GLY  69          2HA       GLY  69  -6.416  -5.678  10.762
  326    H    GLY  70           H        GLY  70  -7.451  -6.217   8.881
  327   1HA   GLY  70          1HA       GLY  70  -7.574  -8.898   7.902
  328   2HA   GLY  70          2HA       GLY  70  -8.200  -7.452   7.101
  329    H    MET  71           H        MET  71  -5.324  -6.318   7.227
  330    HA   MET  71           HA       MET  71  -4.557  -7.184   4.586
  331   1HB   MET  71          1HB       MET  71  -4.502  -4.838   5.483
  332   2HB   MET  71          2HB       MET  71  -3.143  -5.275   6.481
  333   1HG   MET  71          1HG       MET  71  -1.763  -5.840   4.726
  334   2HG   MET  71          2HG       MET  71  -3.019  -5.750   3.508
  335   1HE   MET  71          1HE       MET  71  -0.213  -3.037   2.999
  336   2HE   MET  71          2HE       MET  71   0.005  -4.431   4.070
  337   3HE   MET  71          3HE       MET  71  -0.868  -4.647   2.558
  338    HA   PRO  72           HA       PRO  72  -1.728 -10.155   6.530
  339   1HB   PRO  72          2HB       PRO  72  -0.827 -11.448   4.267
  340   2HB   PRO  72          3HB       PRO  72  -2.341 -11.739   5.164
  341   1HG   PRO  72          2HG       PRO  72  -1.866 -10.188   2.603
  342   2HG   PRO  72          3HG       PRO  72  -3.273 -11.209   2.996
  343   1HD   PRO  72          2HD       PRO  72  -3.213  -8.403   3.199
  344   2HD   PRO  72          3HD       PRO  72  -4.322  -9.437   4.099
  345    H    GLY  73           H        GLY  73   0.093  -9.416   7.272
  346   1HA   GLY  73          1HA       GLY  73   1.798  -7.713   6.030
  347   2HA   GLY  73          2HA       GLY  73   2.334  -8.740   7.395
  348    H    GLY  74           H        GLY  74   3.313  -7.469   4.774
  349   1HA   GLY  74          1HA       GLY  74   5.307  -8.083   3.642
  350   2HA   GLY  74          2HA       GLY  74   5.092  -9.768   4.148
  351    H    ILE  75           H        ILE  75   2.786  -7.679   2.486
  352    HA   ILE  75           HA       ILE  75   2.202  -9.572   0.397
  353    HB   ILE  75           HB       ILE  75   1.320  -6.860   1.317
  354   1HG1  ILE  75          2HG1      ILE  75  -0.328  -9.073   0.112
  355   2HG1  ILE  75          3HG1      ILE  75   0.319  -9.209   1.750
  356   1HG2  ILE  75          1HG2      ILE  75  -0.011  -6.575  -0.881
  357   2HG2  ILE  75          2HG2      ILE  75   1.705  -6.349  -1.141
  358   3HG2  ILE  75          3HG2      ILE  75   0.933  -7.882  -1.584
  359   1HD1  ILE  75          1HD1      ILE  75  -1.153  -6.698   0.950
  360   2HD1  ILE  75          2HD1      ILE  75  -2.034  -8.152   1.413
  361   3HD1  ILE  75          3HD1      ILE  75  -0.914  -7.359   2.551
  362    H    ALA  76           H        ALA  76   3.716  -6.312   0.121
  363    HA   ALA  76           HA       ALA  76   5.428  -7.290  -2.111
  364   1HB   ALA  76          1HB       ALA  76   4.206  -5.219  -2.526
  365   2HB   ALA  76          2HB       ALA  76   4.833  -4.509  -1.021
  366   3HB   ALA  76          3HB       ALA  76   5.933  -4.870  -2.367
  367    H    LYS  77           H        LYS  77   7.765  -6.713  -1.976
  368    HA   LYS  77           HA       LYS  77   8.911  -6.113   0.656
  369   1HB   LYS  77          2HB       LYS  77   8.920  -8.814  -0.622
  370   2HB   LYS  77          3HB       LYS  77  10.509  -8.266  -0.103
  371   1HG   LYS  77          2HG       LYS  77   9.985  -8.214   2.129
  372   2HG   LYS  77          3HG       LYS  77   8.270  -7.881   1.844
  373   1HD   LYS  77          2HD       LYS  77   8.028 -10.226   0.918
  374   2HD   LYS  77          3HD       LYS  77   9.632 -10.597   1.568
  375   1HE   LYS  77          2HE       LYS  77   7.246  -9.475   3.138
  376   2HE   LYS  77          3HE       LYS  77   7.621 -11.195   3.056
  377   1HZ   LYS  77          1HZ       LYS  77   9.479  -9.173   4.134
  378   2HZ   LYS  77          2HZ       LYS  77   8.433 -10.042   5.053
  379   3HZ   LYS  77          3HZ       LYS  77   9.626 -10.812   4.224
  380    H    GLY  78           H        GLY  78  11.284  -5.768   0.519
  381   1HA   GLY  78          1HA       GLY  78  13.016  -4.578  -0.394
  382   2HA   GLY  78          2HA       GLY  78  12.733  -5.535  -1.859
  383    H    ALA  79           H        ALA  79  13.196  -3.778  -3.245
  384    HA   ALA  79           HA       ALA  79  12.129  -1.236  -3.217
  385   1HB   ALA  79          1HB       ALA  79  13.846  -2.260  -4.838
  386   2HB   ALA  79          2HB       ALA  79  12.440  -2.738  -5.818
  387   3HB   ALA  79          3HB       ALA  79  12.733  -1.025  -5.455
  388    H    GLU  80           H        GLU  80  10.511  -4.250  -4.078
  389    HA   GLU  80           HA       GLU  80   8.254  -3.221  -5.433
  390   1HB   GLU  80          2HB       GLU  80   9.164  -5.750  -4.789
  391   2HB   GLU  80          3HB       GLU  80   7.863  -5.542  -3.606
  392   1HG   GLU  80          2HG       GLU  80   6.336  -4.996  -5.426
  393   2HG   GLU  80          3HG       GLU  80   7.601  -5.313  -6.616
  394    H    ALA  81           H        ALA  81   8.979  -3.578  -1.957
  395    HA   ALA  81           HA       ALA  81   6.352  -2.448  -1.187
  396   1HB   ALA  81          1HB       ALA  81   8.780  -3.222   0.475
  397   2HB   ALA  81          2HB       ALA  81   7.226  -2.627   1.103
  398   3HB   ALA  81          3HB       ALA  81   7.291  -4.160   0.238
  399    H    GLU  82           H        GLU  82   9.820  -1.494  -0.979
  400    HA   GLU  82           HA       GLU  82   9.435   0.989   0.270
  401   1HB   GLU  82          2HB       GLU  82  11.585   0.058  -1.648
  402   2HB   GLU  82          3HB       GLU  82  11.717   1.507  -0.674
  403   1HG   GLU  82          2HG       GLU  82  11.814   0.294   1.356
  404   2HG   GLU  82          3HG       GLU  82  11.191  -1.196   0.641
  405    H    ALA  83           H        ALA  83   9.682   0.332  -3.272
  406    HA   ALA  83           HA       ALA  83   9.471   3.056  -4.076
  407   1HB   ALA  83          1HB       ALA  83   8.582   0.591  -5.636
  408   2HB   ALA  83          2HB       ALA  83   9.009   2.182  -6.289
  409   3HB   ALA  83          3HB       ALA  83  10.260   1.177  -5.536
  410    H    VAL  84           H        VAL  84   7.027   0.480  -3.593
  411    HA   VAL  84           HA       VAL  84   4.740   1.983  -4.372
  412    HB   VAL  84           HB       VAL  84   5.135  -0.380  -2.504
  413   1HG1  VAL  84          1HG1      VAL  84   3.212   0.716  -1.582
  414   2HG1  VAL  84          2HG1      VAL  84   2.594   1.137  -3.181
  415   3HG1  VAL  84          3HG1      VAL  84   2.610  -0.563  -2.644
  416   1HG2  VAL  84          1HG2      VAL  84   3.975  -1.513  -4.335
  417   2HG2  VAL  84          2HG2      VAL  84   3.865   0.005  -5.243
  418   3HG2  VAL  84          3HG2      VAL  84   5.439  -0.729  -4.962
  419    H    ALA  85           H        ALA  85   6.117   1.494  -1.101
  420    HA   ALA  85           HA       ALA  85   4.401   3.187   0.289
  421   1HB   ALA  85          1HB       ALA  85   6.119   3.374   1.973
  422   2HB   ALA  85          2HB       ALA  85   6.131   1.722   1.316
  423   3HB   ALA  85          3HB       ALA  85   7.383   2.881   0.827
  424    H    ALA  86           H        ALA  86   7.496   4.105  -1.305
  425    HA   ALA  86           HA       ALA  86   7.354   6.889  -0.673
  426   1HB   ALA  86          1HB       ALA  86   8.993   7.150  -2.521
  427   2HB   ALA  86          2HB       ALA  86   9.421   5.836  -1.406
  428   3HB   ALA  86          3HB       ALA  86   8.713   5.459  -2.994
  429    H    TRP  87           H        TRP  87   6.172   5.106  -3.543
  430    HA   TRP  87           HA       TRP  87   5.184   7.378  -4.926
  431   1HB   TRP  87          2HB       TRP  87   5.560   5.250  -5.954
  432   2HB   TRP  87          3HB       TRP  87   4.368   4.482  -4.906
  433    HD1  TRP  87           HD1      TRP  87   4.362   7.279  -7.612
  434    HE1  TRP  87           HE1      TRP  87   2.328   6.841  -9.158
  435    HE3  TRP  87           HE3      TRP  87   2.307   3.255  -5.229
  436    HZ2  TRP  87           HZ2      TRP  87  -0.085   5.278  -9.089
  437    HZ3  TRP  87           HZ3      TRP  87   0.055   2.463  -5.873
  438    HH2  TRP  87           HH2      TRP  87  -1.111   3.382  -7.815
  439    H    LEU  88           H        LEU  88   3.600   5.143  -2.590
  440    HA   LEU  88           HA       LEU  88   1.088   6.526  -2.529
  441   1HB   LEU  88          2HB       LEU  88   2.456   4.621  -0.584
  442   2HB   LEU  88          3HB       LEU  88   0.912   5.373  -0.243
  443    HG   LEU  88           HG       LEU  88   1.337   2.957  -1.593
  444   1HD1  LEU  88          1HD1      LEU  88  -1.187   4.644  -1.290
  445   2HD1  LEU  88          2HD1      LEU  88  -1.147   2.938  -1.752
  446   3HD1  LEU  88          3HD1      LEU  88  -0.596   3.428  -0.126
  447   1HD2  LEU  88          1HD2      LEU  88   0.253   3.141  -3.667
  448   2HD2  LEU  88          2HD2      LEU  88  -0.136   4.860  -3.450
  449   3HD2  LEU  88          3HD2      LEU  88   1.550   4.353  -3.645
  450    H    ALA  89           H        ALA  89   4.165   7.121  -0.890
  451    HA   ALA  89           HA       ALA  89   3.190   9.065   0.934
  452   1HB   ALA  89          1HB       ALA  89   5.474   7.943   0.891
  453   2HB   ALA  89          2HB       ALA  89   5.950   9.210  -0.268
  454   3HB   ALA  89          3HB       ALA  89   5.388   9.656   1.343
  455    H    GLU  90           H        GLU  90   4.336   9.387  -2.517
  456    HA   GLU  90           HA       GLU  90   3.822  12.232  -2.479
  457   1HB   GLU  90          2HB       GLU  90   3.870  12.313  -4.817
  458   2HB   GLU  90          3HB       GLU  90   5.263  11.421  -4.207
  459   1HG   GLU  90          2HG       GLU  90   4.492   9.399  -5.077
  460   2HG   GLU  90          3HG       GLU  90   2.813   9.962  -5.264
  461    H    LYS  91           H        LYS  91   1.780   9.373  -3.195
  462    HA   LYS  91           HA       LYS  91  -0.373  10.904  -4.244
  463   1HB   LYS  91          2HB       LYS  91  -0.377   8.120  -3.023
  464   2HB   LYS  91          3HB       LYS  91  -1.731   8.868  -3.846
  465   1HG   LYS  91          2HG       LYS  91   0.040   9.244  -5.817
  466   2HG   LYS  91          3HG       LYS  91   0.904   7.951  -5.009
  467   1HD   LYS  91          2HD       LYS  91  -0.449   6.925  -6.669
  468   2HD   LYS  91          3HD       LYS  91  -1.146   6.536  -5.099
  469   1HE   LYS  91          2HE       LYS  91  -3.146   7.316  -5.826
  470   2HE   LYS  91          3HE       LYS  91  -2.483   8.938  -5.886
  471   1HZ   LYS  91          1HZ       LYS  91  -2.335   7.035  -8.119
  472   2HZ   LYS  91          2HZ       LYS  91  -3.461   8.218  -7.947
  473   3HZ   LYS  91          3HZ       LYS  91  -1.873   8.618  -8.130
  474    H    LYS  92           H        LYS  92  -1.884  12.172  -3.342
  475    HA   LYS  92           HA       LYS  92  -2.975  11.908  -0.710
  476   1HB   LYS  92          2HB       LYS  92  -1.190  14.255  -1.494
  477   2HB   LYS  92          3HB       LYS  92  -2.308  14.223  -0.116
  478   1HG   LYS  92          2HG       LYS  92  -1.061  12.329   0.859
  479   2HG   LYS  92          3HG       LYS  92   0.086  12.368  -0.452
  480   1HD   LYS  92          2HD       LYS  92  -0.072  15.069   0.505
  481   2HD   LYS  92          3HD       LYS  92  -0.016  14.038   1.935
  482   1HE   LYS  92          2HE       LYS  92   2.253  14.680   1.229
  483   2HE   LYS  92          3HE       LYS  92   2.012  12.934   1.139
  484   1HZ   LYS  92          1HZ       LYS  92   1.939  14.813  -1.154
  485   2HZ   LYS  92          2HZ       LYS  92   3.126  13.715  -0.796
  486   3HZ   LYS  92          3HZ       LYS  92   1.668  13.207  -1.287
  487    HHA  HEC  93           HHA      HEC  93  -5.115  -0.391   6.268
  488    HHB  HEC  93           HHB      HEC  93  -0.615   0.734   1.864
  489    HHC  HEC  93           HHC      HEC  93  -1.801  -5.127  -0.646
  490    HHD  HEC  93           HHD      HEC  93  -6.973  -5.647   3.102
  491   1HMA  HEC  93          1HMA      HEC  93  -1.130   2.730   3.010
  492   2HMA  HEC  93          2HMA      HEC  93  -1.460   3.121   4.681
  493   3HMA  HEC  93          3HMA      HEC  93  -0.161   1.980   4.307
  494   1HAA  HEC  93          1HAA      HEC  93  -2.880   2.664   6.197
  495   2HAA  HEC  93          2HAA      HEC  93  -3.436   1.263   7.061
  496   1HBA  HEC  93          1HBA      HEC  93  -5.563   1.992   6.857
  497   2HBA  HEC  93          2HBA      HEC  93  -5.459   1.837   5.096
  498   1HMB  HEC  93          1HMB      HEC  93   1.463  -0.642  -0.661
  499   2HMB  HEC  93          2HMB      HEC  93   0.055   0.022  -1.511
  500   3HMB  HEC  93          3HMB      HEC  93   0.501   0.626   0.068
  501    HAB  HEC  93           HAB      HEC  93  -0.247  -4.263  -1.759
  502   1HBB  HEC  93          1HBB      HEC  93   1.814  -4.101  -0.450
  503   2HBB  HEC  93          2HBB      HEC  93   2.068  -4.011  -2.203
  504   3HBB  HEC  93          3HBB      HEC  93   2.193  -2.554  -1.222
  505   1HMC  HEC  93          1HMC      HEC  93  -2.628  -7.325  -0.787
  506   2HMC  HEC  93          2HMC      HEC  93  -4.222  -8.065  -0.764
  507   3HMC  HEC  93          3HMC      HEC  93  -3.961  -6.604  -1.721
  508    HAC  HEC  93           HAC      HEC  93  -7.167  -7.093   1.603
  509   1HBC  HEC  93          1HBC      HEC  93  -6.714  -9.470   1.219
  510   2HBC  HEC  93          2HBC      HEC  93  -4.990  -9.109   0.999
  511   3HBC  HEC  93          3HBC      HEC  93  -5.790  -8.754   2.541
  512   1HMD  HEC  93          1HMD      HEC  93  -7.835  -5.456   5.876
  513   2HMD  HEC  93          2HMD      HEC  93  -8.936  -4.076   5.898
  514   3HMD  HEC  93          3HMD      HEC  93  -8.698  -4.968   4.400
  515   1HAD  HEC  93          1HAD      HEC  93  -8.330  -2.075   6.768
  516   2HAD  HEC  93          2HAD      HEC  93  -6.924  -1.176   7.264
  517   1HBD  HEC  93          1HBD      HEC  93  -6.406  -2.669   8.867
  518   2HBD  HEC  93          2HBD      HEC  93  -6.501  -4.030   7.744
  Start of MODEL   25
    1   1H    VAL  22          H1        VAL  22  11.831   0.020  -9.870
    2   2H    VAL  22          H2        VAL  22  11.525  -0.101  -8.263
    3   3H    VAL  22          H3        VAL  22  12.451  -1.264  -9.020
    4    HA   VAL  22           HA       VAL  22  10.478  -1.823 -10.358
    5    HB   VAL  22           HB       VAL  22  10.371  -2.037  -7.317
    6   1HG1  VAL  22          1HG1      VAL  22   8.624  -3.815  -7.686
    7   2HG1  VAL  22          2HG1      VAL  22   8.089  -2.155  -7.982
    8   3HG1  VAL  22          3HG1      VAL  22   8.446  -3.232  -9.354
    9   1HG2  VAL  22          1HG2      VAL  22  10.883  -4.131  -9.479
   10   2HG2  VAL  22          2HG2      VAL  22  12.158  -3.334  -8.530
   11   3HG2  VAL  22          3HG2      VAL  22  10.971  -4.370  -7.724
   12    H    ASP  23           H        ASP  23   8.649  -0.912 -11.209
   13    HA   ASP  23           HA       ASP  23   7.904   1.661 -10.512
   14   1HB   ASP  23          2HB       ASP  23   6.459  -0.395 -12.219
   15   2HB   ASP  23          3HB       ASP  23   6.243   1.362 -12.277
   16    H    ALA  24           H        ALA  24   7.188   1.947  -8.497
   17    HA   ALA  24           HA       ALA  24   5.597   0.665  -6.753
   18   1HB   ALA  24          1HB       ALA  24   6.493   2.884  -6.345
   19   2HB   ALA  24          2HB       ALA  24   5.472   3.588  -7.611
   20   3HB   ALA  24          3HB       ALA  24   4.719   2.929  -6.149
   21    H    GLU  25           H        GLU  25   4.265   2.747  -9.356
   22    HA   GLU  25           HA       GLU  25   1.547   2.252  -8.904
   23   1HB   GLU  25          2HB       GLU  25   1.356   2.726 -11.436
   24   2HB   GLU  25          3HB       GLU  25   1.905   4.001 -10.354
   25   1HG   GLU  25          2HG       GLU  25   4.182   3.789 -11.029
   26   2HG   GLU  25          3HG       GLU  25   3.844   2.289 -11.927
   27    H    ALA  26           H        ALA  26   3.843   0.382 -10.958
   28    HA   ALA  26           HA       ALA  26   1.882  -1.420 -12.000
   29   1HB   ALA  26          1HB       ALA  26   3.743  -2.774 -12.700
   30   2HB   ALA  26          2HB       ALA  26   4.152  -1.069 -12.976
   31   3HB   ALA  26          3HB       ALA  26   4.847  -1.951 -11.593
   32    H    VAL  27           H        VAL  27   4.052  -1.525  -9.152
   33    HA   VAL  27           HA       VAL  27   3.294  -4.146  -8.261
   34    HB   VAL  27           HB       VAL  27   4.201  -1.713  -6.657
   35   1HG1  VAL  27          1HG1      VAL  27   4.167  -4.645  -5.877
   36   2HG1  VAL  27          2HG1      VAL  27   4.808  -3.315  -4.902
   37   3HG1  VAL  27          3HG1      VAL  27   3.071  -3.425  -5.190
   38   1HG2  VAL  27          1HG2      VAL  27   5.718  -4.115  -7.748
   39   2HG2  VAL  27          2HG2      VAL  27   5.855  -2.442  -8.318
   40   3HG2  VAL  27          3HG2      VAL  27   6.376  -2.857  -6.671
   41    H    VAL  28           H        VAL  28   2.014  -0.909  -7.308
   42    HA   VAL  28           HA       VAL  28  -0.014  -1.896  -5.617
   43    HB   VAL  28           HB       VAL  28   0.299   0.654  -7.227
   44   1HG1  VAL  28          1HG1      VAL  28  -2.087  -0.201  -5.623
   45   2HG1  VAL  28          2HG1      VAL  28  -1.561   1.482  -5.529
   46   3HG1  VAL  28          3HG1      VAL  28  -1.966   0.764  -7.096
   47   1HG2  VAL  28          1HG2      VAL  28   1.368  -0.342  -4.776
   48   2HG2  VAL  28          2HG2      VAL  28   1.569   1.254  -5.494
   49   3HG2  VAL  28          3HG2      VAL  28   0.252   0.947  -4.341
   50    H    GLN  29           H        GLN  29  -0.164  -1.140  -9.054
   51    HA   GLN  29           HA       GLN  29  -2.774  -1.979  -9.655
   52   1HB   GLN  29          2HB       GLN  29  -0.228  -1.912 -11.267
   53   2HB   GLN  29          3HB       GLN  29  -1.776  -2.359 -11.966
   54   1HG   GLN  29          2HG       GLN  29  -1.404   0.294 -10.496
   55   2HG   GLN  29          3HG       GLN  29  -1.013   0.081 -12.202
   56   1HE2  GLN  29          1HE2      GLN  29  -3.622   0.410  -9.858
   57   2HE2  GLN  29          2HE2      GLN  29  -4.907   0.474 -11.035
   58    H    GLN  30           H        GLN  30  -0.123  -4.043  -8.657
   59    HA   GLN  30           HA       GLN  30  -1.937  -6.296  -9.242
   60   1HB   GLN  30          2HB       GLN  30  -0.041  -5.886 -11.060
   61   2HB   GLN  30          3HB       GLN  30   0.990  -6.680  -9.860
   62   1HG   GLN  30          2HG       GLN  30  -0.759  -8.562  -9.813
   63   2HG   GLN  30          3HG       GLN  30  -1.598  -7.713 -11.121
   64   1HE2  GLN  30          1HE2      GLN  30   1.449  -9.341 -10.222
   65   2HE2  GLN  30          2HE2      GLN  30   1.909  -9.733 -11.877
   66    H    LYS  31           H        LYS  31  -1.285  -4.872  -6.803
   67    HA   LYS  31           HA       LYS  31  -1.184  -7.340  -5.257
   68   1HB   LYS  31          2HB       LYS  31   0.976  -5.216  -4.837
   69   2HB   LYS  31          3HB       LYS  31   0.325  -6.154  -3.505
   70   1HG   LYS  31          2HG       LYS  31   1.899  -7.674  -3.916
   71   2HG   LYS  31          3HG       LYS  31   0.857  -8.201  -5.231
   72   1HD   LYS  31          2HD       LYS  31   2.182  -6.275  -6.559
   73   2HD   LYS  31          3HD       LYS  31   3.367  -6.550  -5.251
   74   1HE   LYS  31          2HE       LYS  31   3.500  -8.936  -5.824
   75   2HE   LYS  31          3HE       LYS  31   2.261  -8.731  -7.081
   76   1HZ   LYS  31          1HZ       LYS  31   3.825  -7.172  -8.163
   77   2HZ   LYS  31          2HZ       LYS  31   4.951  -7.566  -7.021
   78   3HZ   LYS  31          3HZ       LYS  31   4.421  -8.711  -8.047
   79    H    CYS  32           H        CYS  32  -1.089  -3.742  -4.877
   80    HA   CYS  32           HA       CYS  32  -2.636  -4.021  -2.467
   81   1HB   CYS  32          2HB       CYS  32  -2.303  -1.422  -3.923
   82   2HB   CYS  32          3HB       CYS  32  -2.463  -1.712  -2.199
   83    H    ILE  33           H        ILE  33  -3.380  -2.902  -5.735
   84    HA   ILE  33           HA       ILE  33  -6.035  -2.179  -5.247
   85    HB   ILE  33           HB       ILE  33  -6.409  -2.445  -7.622
   86   1HG1  ILE  33          2HG1      ILE  33  -4.459  -3.030  -9.096
   87   2HG1  ILE  33          3HG1      ILE  33  -3.814  -3.995  -7.749
   88   1HG2  ILE  33          1HG2      ILE  33  -3.689  -1.290  -7.741
   89   2HG2  ILE  33          2HG2      ILE  33  -5.256  -0.541  -8.006
   90   3HG2  ILE  33          3HG2      ILE  33  -4.632  -0.746  -6.363
   91   1HD1  ILE  33          1HD1      ILE  33  -6.527  -4.315  -9.100
   92   2HD1  ILE  33          2HD1      ILE  33  -5.045  -5.168  -9.561
   93   3HD1  ILE  33          3HD1      ILE  33  -5.766  -5.477  -7.981
   94    H    SER  34           H        SER  34  -4.711  -5.365  -5.375
   95    HA   SER  34           HA       SER  34  -6.842  -6.952  -6.177
   96   1HB   SER  34          2HB       SER  34  -4.430  -7.580  -5.444
   97   2HB   SER  34          3HB       SER  34  -5.080  -7.631  -3.796
   98    HG   SER  34           HG       SER  34  -5.974  -9.129  -6.047
   99    H    CYS  35           H        CYS  35  -6.383  -5.200  -3.124
  100    HA   CYS  35           HA       CYS  35  -9.158  -5.995  -2.270
  101   1HB   CYS  35          2HB       CYS  35  -6.940  -5.083  -0.468
  102   2HB   CYS  35          3HB       CYS  35  -8.473  -5.848  -0.018
  103    H    HIS  36           HN       HIS  36  -6.680  -3.388  -2.364
  104    HA   HIS  36           HA       HIS  36  -8.451  -1.366  -1.311
  105   1HB   HIS  36          2HB       HIS  36  -5.723  -1.332  -2.655
  106   2HB   HIS  36          3HB       HIS  36  -6.551   0.116  -2.136
  107    HD1  HIS  36           HD1      HIS  36  -7.082   0.316   0.556
  108    HD2  HIS  36           HD2      HIS  36  -4.486  -2.745  -0.678
  109    HE1  HIS  36           1HE      HIS  36  -5.876  -0.460   2.639
  110    H    GLY  37           H        GLY  37  -8.333  -2.851  -4.391
  111   1HA   GLY  37          1HA       GLY  37  -9.908  -2.532  -6.027
  112   2HA   GLY  37          2HA       GLY  37 -10.275  -0.898  -5.442
  113    H    GLY  38           H        GLY  38  -9.576  -1.849  -8.170
  114   1HA   GLY  38          1HA       GLY  38  -7.139  -1.265  -9.282
  115   2HA   GLY  38          2HA       GLY  38  -8.678  -0.781  -9.972
  116    H    ASP  39           H        ASP  39  -9.396   1.034  -7.832
  117    HA   ASP  39           HA       ASP  39  -7.894   3.347  -8.848
  118   1HB   ASP  39          2HB       ASP  39 -10.437   2.876  -9.150
  119   2HB   ASP  39          3HB       ASP  39 -10.595   3.334  -7.453
  120    H    LEU  40           H        LEU  40  -7.915   1.455  -5.903
  121    HA   LEU  40           HA       LEU  40  -6.867   1.784  -4.036
  122   1HB   LEU  40          2HB       LEU  40  -6.064   4.625  -4.560
  123   2HB   LEU  40          3HB       LEU  40  -5.234   3.347  -3.689
  124    HG   LEU  40           HG       LEU  40  -5.351   3.840  -6.684
  125   1HD1  LEU  40          1HD1      LEU  40  -3.015   3.384  -4.800
  126   2HD1  LEU  40          2HD1      LEU  40  -2.976   3.974  -6.474
  127   3HD1  LEU  40          3HD1      LEU  40  -3.678   4.984  -5.187
  128   1HD2  LEU  40          1HD2      LEU  40  -3.976   1.796  -6.977
  129   2HD2  LEU  40          2HD2      LEU  40  -4.367   1.313  -5.303
  130   3HD2  LEU  40          3HD2      LEU  40  -5.629   1.421  -6.551
  131    H    THR  41           H        THR  41  -9.638   2.950  -4.775
  132    HA   THR  41           HA       THR  41 -10.186   5.123  -2.911
  133    HB   THR  41           HB       THR  41 -12.516   4.679  -3.944
  134    HG1  THR  41           1HG      THR  41 -12.252   2.553  -4.571
  135   1HG2  THR  41          1HG2      THR  41 -11.061   6.438  -4.845
  136   2HG2  THR  41          2HG2      THR  41 -10.199   5.257  -5.843
  137   3HG2  THR  41          3HG2      THR  41 -11.907   5.595  -6.155
  138    H    GLY  42           H        GLY  42  -9.850   1.778  -2.703
  139   1HA   GLY  42          1HA       GLY  42 -10.234   0.474  -0.836
  140   2HA   GLY  42          2HA       GLY  42 -11.529   1.544  -0.262
  141    H    ALA  43           H        ALA  43 -11.521  -1.298  -0.859
  142    HA   ALA  43           HA       ALA  43 -14.028  -1.441  -2.384
  143   1HB   ALA  43          1HB       ALA  43 -12.466  -1.710  -4.230
  144   2HB   ALA  43          2HB       ALA  43 -11.564  -2.966  -3.370
  145   3HB   ALA  43          3HB       ALA  43 -13.236  -3.268  -3.884
  146    H    SER  44           H        SER  44 -11.541  -3.833  -1.462
  147    HA   SER  44           HA       SER  44 -13.464  -5.141   0.404
  148   1HB   SER  44          2HB       SER  44 -11.822  -6.233  -1.585
  149   2HB   SER  44          3HB       SER  44 -10.888  -6.494  -0.107
  150    HG   SER  44           HG       SER  44 -13.614  -7.206  -0.532
  151    H    ALA  45           H        ALA  45 -11.416  -2.647   0.583
  152    HA   ALA  45           HA       ALA  45 -10.368  -3.129   3.241
  153   1HB   ALA  45          1HB       ALA  45  -8.505  -2.708   0.841
  154   2HB   ALA  45          2HB       ALA  45  -8.027  -3.036   2.506
  155   3HB   ALA  45          3HB       ALA  45  -8.811  -4.295   1.578
  156    HA   PRO  46           HA       PRO  46 -10.981   1.214   3.236
  157   1HB   PRO  46          2HB       PRO  46  -8.948   2.329   4.732
  158   2HB   PRO  46          3HB       PRO  46 -10.219   1.280   5.421
  159   1HG   PRO  46          2HG       PRO  46  -7.416   0.521   4.606
  160   2HG   PRO  46          3HG       PRO  46  -8.291   0.077   6.098
  161   1HD   PRO  46          2HD       PRO  46  -8.070  -1.541   3.934
  162   2HD   PRO  46          3HD       PRO  46  -9.529  -1.596   4.966
  163    H    ALA  47           H        ALA  47 -10.297   3.350   2.376
  164    HA   ALA  47           HA       ALA  47  -8.828   3.011  -0.082
  165   1HB   ALA  47          1HB       ALA  47  -9.740   5.614   1.202
  166   2HB   ALA  47          2HB       ALA  47  -9.462   5.275  -0.519
  167   3HB   ALA  47          3HB       ALA  47 -10.827   4.516   0.341
  168    H    ILE  48           H        ILE  48  -6.696   3.407  -0.472
  169    HA   ILE  48           HA       ILE  48  -5.067   4.729   1.679
  170    HB   ILE  48           HB       ILE  48  -3.133   3.520   0.849
  171   1HG1  ILE  48          2HG1      ILE  48  -5.025   1.816  -0.823
  172   2HG1  ILE  48          3HG1      ILE  48  -4.021   3.118  -1.479
  173   1HG2  ILE  48          1HG2      ILE  48  -4.247   2.708   2.790
  174   2HG2  ILE  48          2HG2      ILE  48  -5.492   1.887   1.837
  175   3HG2  ILE  48          3HG2      ILE  48  -3.821   1.303   1.803
  176   1HD1  ILE  48          1HD1      ILE  48  -2.808   1.118  -1.842
  177   2HD1  ILE  48          2HD1      ILE  48  -1.987   1.972  -0.523
  178   3HD1  ILE  48          3HD1      ILE  48  -3.029   0.571  -0.175
  179    H    ASP  49           H        ASP  49  -6.468   5.319  -1.257
  180    HA   ASP  49           HA       ASP  49  -4.768   6.557  -2.962
  181   1HB   ASP  49          2HB       ASP  49  -6.622   8.065  -3.422
  182   2HB   ASP  49          3HB       ASP  49  -7.226   6.432  -3.160
  183    H    LYS  50           H        LYS  50  -5.980   8.010   0.062
  184    HA   LYS  50           HA       LYS  50  -3.975  10.194  -0.141
  185   1HB   LYS  50          2HB       LYS  50  -5.440  11.420   1.350
  186   2HB   LYS  50          3HB       LYS  50  -6.303  10.799  -0.050
  187   1HG   LYS  50          2HG       LYS  50  -6.639   8.757   1.863
  188   2HG   LYS  50          3HG       LYS  50  -6.709  10.245   2.816
  189   1HD   LYS  50          2HD       LYS  50  -8.492  11.114   1.251
  190   2HD   LYS  50          3HD       LYS  50  -8.287   9.687   0.256
  191   1HE   LYS  50          2HE       LYS  50 -10.208   9.188   1.475
  192   2HE   LYS  50          3HE       LYS  50  -8.931   8.235   2.231
  193   1HZ   LYS  50          1HZ       LYS  50 -10.270   9.318   3.876
  194   2HZ   LYS  50          2HZ       LYS  50  -8.769   9.993   3.912
  195   3HZ   LYS  50          3HZ       LYS  50 -10.019  10.799   3.203
  196    H    ALA  51           H        ALA  51  -3.329   7.386   0.882
  197    HA   ALA  51           HA       ALA  51  -2.987   7.478   3.711
  198   1HB   ALA  51          1HB       ALA  51  -1.284   5.718   3.329
  199   2HB   ALA  51          2HB       ALA  51  -2.787   5.400   2.455
  200   3HB   ALA  51          3HB       ALA  51  -1.367   6.024   1.584
  201    H    GLY  52           H        GLY  52  -0.730   8.393   1.048
  202   1HA   GLY  52          1HA       GLY  52   1.424   9.256   2.642
  203   2HA   GLY  52          2HA       GLY  52   1.039   9.807   1.004
  204    H    ALA  53           H        ALA  53  -1.705  10.761   2.350
  205    HA   ALA  53           HA       ALA  53  -0.778  13.494   2.778
  206   1HB   ALA  53          1HB       ALA  53  -3.518  12.311   3.358
  207   2HB   ALA  53          2HB       ALA  53  -3.093  14.012   3.127
  208   3HB   ALA  53          3HB       ALA  53  -3.003  12.887   1.756
  209    H    ASN  54           H        ASN  54  -1.514  10.653   4.751
  210    HA   ASN  54           HA       ASN  54  -1.282  12.286   7.252
  211   1HB   ASN  54          2HB       ASN  54  -2.543  10.552   8.383
  212   2HB   ASN  54          3HB       ASN  54  -3.469  11.366   7.118
  213   1HD2  ASN  54          1HD2      ASN  54  -3.876  10.167   5.043
  214   2HD2  ASN  54          2HD2      ASN  54  -3.977   8.430   5.197
  215    H    TYR  55           H        TYR  55  -0.434   9.082   5.849
  216    HA   TYR  55           HA       TYR  55   1.675   8.702   7.884
  217   1HB   TYR  55          2HB       TYR  55   0.806   7.083   5.472
  218   2HB   TYR  55          3HB       TYR  55   1.984   6.559   6.665
  219    HD1  TYR  55           HD1      TYR  55  -1.024   5.645   5.624
  220    HD2  TYR  55           HD2      TYR  55   0.761   7.087   9.276
  221    HE1  TYR  55           HE1      TYR  55  -2.903   4.712   6.913
  222    HE2  TYR  55           HE2      TYR  55  -1.094   6.097  10.565
  223    HH   TYR  55           HH       TYR  55  -3.827   4.363   9.009
  224    H    SER  56           H        SER  56   3.805   7.934   6.952
  225    HA   SER  56           HA       SER  56   4.723   9.499   4.576
  226   1HB   SER  56          2HB       SER  56   6.245   8.907   7.159
  227   2HB   SER  56          3HB       SER  56   6.910   9.707   5.721
  228    HG   SER  56           HG       SER  56   5.284  11.331   6.023
  229    H    GLU  57           H        GLU  57   6.794   8.445   3.697
  230    HA   GLU  57           HA       GLU  57   6.223   5.969   2.698
  231   1HB   GLU  57          2HB       GLU  57   8.634   5.825   2.116
  232   2HB   GLU  57          3HB       GLU  57   7.748   7.257   1.585
  233   1HG   GLU  57          2HG       GLU  57   9.262   7.562   4.138
  234   2HG   GLU  57          3HG       GLU  57  10.152   7.399   2.633
  235    H    GLU  58           H        GLU  58   8.337   6.547   5.557
  236    HA   GLU  58           HA       GLU  58   8.961   3.828   6.009
  237   1HB   GLU  58          2HB       GLU  58   9.023   6.363   7.636
  238   2HB   GLU  58          3HB       GLU  58   9.185   4.822   8.489
  239   1HG   GLU  58          2HG       GLU  58  11.074   4.161   7.151
  240   2HG   GLU  58          3HG       GLU  58  10.890   5.557   6.072
  241    H    GLU  59           H        GLU  59   6.069   5.682   6.962
  242    HA   GLU  59           HA       GLU  59   5.190   3.693   8.933
  243   1HB   GLU  59          2HB       GLU  59   4.491   6.412   8.084
  244   2HB   GLU  59          3HB       GLU  59   3.055   5.392   8.124
  245   1HG   GLU  59          2HG       GLU  59   4.818   5.215  10.536
  246   2HG   GLU  59          3HG       GLU  59   4.027   6.764  10.244
  247    H    ILE  60           H        ILE  60   4.314   4.753   5.625
  248    HA   ILE  60           HA       ILE  60   2.266   2.822   5.266
  249    HB   ILE  60           HB       ILE  60   3.957   4.260   3.206
  250   1HG1  ILE  60          2HG1      ILE  60   1.208   4.659   4.486
  251   2HG1  ILE  60          3HG1      ILE  60   2.628   5.664   4.644
  252   1HG2  ILE  60          1HG2      ILE  60   3.031   2.170   2.253
  253   2HG2  ILE  60          2HG2      ILE  60   1.416   2.596   2.848
  254   3HG2  ILE  60          3HG2      ILE  60   2.207   3.563   1.583
  255   1HD1  ILE  60          1HD1      ILE  60   2.476   6.125   2.131
  256   2HD1  ILE  60          2HD1      ILE  60   0.898   5.280   2.177
  257   3HD1  ILE  60          3HD1      ILE  60   1.141   6.764   3.111
  258    H    LEU  61           H        LEU  61   5.779   2.785   4.598
  259    HA   LEU  61           HA       LEU  61   5.958   0.271   3.379
  260   1HB   LEU  61          2HB       LEU  61   7.854   1.805   3.392
  261   2HB   LEU  61          3HB       LEU  61   7.935   1.753   5.155
  262    HG   LEU  61           HG       LEU  61   8.539  -0.647   5.076
  263   1HD1  LEU  61          1HD1      LEU  61   8.544  -0.234   2.061
  264   2HD1  LEU  61          2HD1      LEU  61   9.204  -1.654   2.895
  265   3HD1  LEU  61          3HD1      LEU  61   7.472  -1.316   2.963
  266   1HD2  LEU  61          1HD2      LEU  61  10.320   0.919   5.240
  267   2HD2  LEU  61          2HD2      LEU  61  10.815  -0.310   4.064
  268   3HD2  LEU  61          3HD2      LEU  61  10.266   1.285   3.502
  269    H    ASP  62           H        ASP  62   6.264   1.179   6.857
  270    HA   ASP  62           HA       ASP  62   6.664  -1.315   7.927
  271   1HB   ASP  62          2HB       ASP  62   6.553   1.014   9.046
  272   2HB   ASP  62          3HB       ASP  62   4.811   0.754   9.214
  273    H    ILE  63           H        ILE  63   3.460   0.227   7.322
  274    HA   ILE  63           HA       ILE  63   1.899  -2.075   7.982
  275    HB   ILE  63           HB       ILE  63   1.338   0.220   6.044
  276   1HG1  ILE  63          2HG1      ILE  63   0.337  -0.145   8.880
  277   2HG1  ILE  63          3HG1      ILE  63   1.778   0.788   8.463
  278   1HG2  ILE  63          1HG2      ILE  63  -1.099  -0.470   6.461
  279   2HG2  ILE  63          2HG2      ILE  63  -0.174  -1.580   5.456
  280   3HG2  ILE  63          3HG2      ILE  63  -0.475  -1.958   7.166
  281   1HD1  ILE  63          1HD1      ILE  63  -1.026   1.447   7.531
  282   2HD1  ILE  63          2HD1      ILE  63  -0.038   2.319   8.707
  283   3HD1  ILE  63          3HD1      ILE  63   0.458   2.277   7.009
  284    H    ILE  64           H        ILE  64   3.261  -1.169   4.759
  285    HA   ILE  64           HA       ILE  64   2.117  -3.417   3.410
  286    HB   ILE  64           HB       ILE  64   4.692  -1.907   2.862
  287   1HG1  ILE  64          2HG1      ILE  64   2.011  -1.773   1.419
  288   2HG1  ILE  64          3HG1      ILE  64   2.388  -0.703   2.758
  289   1HG2  ILE  64          1HG2      ILE  64   3.194  -3.970   1.194
  290   2HG2  ILE  64          2HG2      ILE  64   4.451  -2.901   0.543
  291   3HG2  ILE  64          3HG2      ILE  64   4.862  -4.085   1.781
  292   1HD1  ILE  64          1HD1      ILE  64   3.884  -0.811   0.114
  293   2HD1  ILE  64          2HD1      ILE  64   2.887   0.493   0.765
  294   3HD1  ILE  64          3HD1      ILE  64   4.426   0.101   1.538
  295    H    LEU  65           H        LEU  65   5.091  -3.120   5.344
  296    HA   LEU  65           HA       LEU  65   6.047  -5.760   4.767
  297   1HB   LEU  65          2HB       LEU  65   6.764  -3.770   6.940
  298   2HB   LEU  65          3HB       LEU  65   7.598  -5.302   6.701
  299    HG   LEU  65           HG       LEU  65   7.464  -3.084   4.617
  300   1HD1  LEU  65          1HD1      LEU  65   8.753  -2.462   6.638
  301   2HD1  LEU  65          2HD1      LEU  65   9.696  -3.959   6.502
  302   3HD1  LEU  65          3HD1      LEU  65   9.827  -2.709   5.249
  303   1HD2  LEU  65          1HD2      LEU  65   9.332  -4.367   3.559
  304   2HD2  LEU  65          2HD2      LEU  65   9.006  -5.706   4.679
  305   3HD2  LEU  65          3HD2      LEU  65   7.782  -5.207   3.485
  306    H    ASN  66           H        ASN  66   3.859  -4.603   7.518
  307    HA   ASN  66           HA       ASN  66   4.033  -7.380   8.591
  308   1HB   ASN  66          2HB       ASN  66   3.716  -6.215  10.790
  309   2HB   ASN  66          3HB       ASN  66   5.349  -6.253  10.123
  310   1HD2  ASN  66          1HD2      ASN  66   6.419  -4.369  10.309
  311   2HD2  ASN  66          2HD2      ASN  66   5.737  -2.796  10.411
  312    H    GLY  67           H        GLY  67   2.456  -6.111   6.767
  313   1HA   GLY  67          1HA       GLY  67   0.278  -5.361   6.184
  314   2HA   GLY  67          2HA       GLY  67  -0.145  -6.884   6.831
  315    H    GLN  68           H        GLN  68  -2.032  -6.346   8.141
  316    HA   GLN  68           HA       GLN  68  -2.067  -4.936  10.521
  317   1HB   GLN  68          2HB       GLN  68  -1.518  -2.833   9.622
  318   2HB   GLN  68          3HB       GLN  68  -2.483  -3.085   8.151
  319   1HG   GLN  68          2HG       GLN  68  -4.505  -2.719   9.395
  320   2HG   GLN  68          3HG       GLN  68  -3.625  -2.628  10.935
  321   1HE2  GLN  68          1HE2      GLN  68  -5.409  -0.589   9.642
  322   2HE2  GLN  68          2HE2      GLN  68  -4.389   0.823   9.431
  323    H    GLY  69           H        GLY  69  -4.143  -5.390  11.516
  324   1HA   GLY  69          1HA       GLY  69  -6.049  -6.597  11.665
  325   2HA   GLY  69          2HA       GLY  69  -6.626  -5.468  10.434
  326    H    GLY  70           H        GLY  70  -7.582  -6.551   8.741
  327   1HA   GLY  70          1HA       GLY  70  -7.205  -9.359   8.234
  328   2HA   GLY  70          2HA       GLY  70  -8.097  -8.187   7.252
  329    H    MET  71           H        MET  71  -5.346  -6.586   7.250
  330    HA   MET  71           HA       MET  71  -4.616  -7.447   4.622
  331   1HB   MET  71          1HB       MET  71  -4.539  -5.105   5.541
  332   2HB   MET  71          2HB       MET  71  -3.132  -5.550   6.466
  333   1HG   MET  71          1HG       MET  71  -1.826  -6.087   4.653
  334   2HG   MET  71          2HG       MET  71  -3.123  -5.936   3.486
  335   1HE   MET  71          1HE       MET  71  -0.268  -3.193   3.075
  336   2HE   MET  71          2HE       MET  71  -0.034  -4.625   4.097
  337   3HE   MET  71          3HE       MET  71  -0.901  -4.792   2.569
  338    HA   PRO  72           HA       PRO  72  -1.656 -10.399   6.404
  339   1HB   PRO  72          2HB       PRO  72  -0.860 -11.670   4.110
  340   2HB   PRO  72          3HB       PRO  72  -2.359 -11.945   5.036
  341   1HG   PRO  72          2HG       PRO  72  -1.921 -10.360   2.484
  342   2HG   PRO  72          3HG       PRO  72  -3.324 -11.384   2.884
  343   1HD   PRO  72          2HD       PRO  72  -3.205  -8.574   3.155
  344   2HD   PRO  72          3HD       PRO  72  -4.355  -9.614   4.000
  345    H    GLY  73           H        GLY  73   0.159  -9.605   7.053
  346   1HA   GLY  73          1HA       GLY  73   1.636  -7.703   5.746
  347   2HA   GLY  73          2HA       GLY  73   2.297  -8.680   7.113
  348    H    GLY  74           H        GLY  74   3.337  -7.331   4.672
  349   1HA   GLY  74          1HA       GLY  74   5.293  -7.818   3.459
  350   2HA   GLY  74          2HA       GLY  74   5.205  -9.504   3.996
  351    H    ILE  75           H        ILE  75   2.613  -7.729   2.427
  352    HA   ILE  75           HA       ILE  75   2.093  -9.616   0.369
  353    HB   ILE  75           HB       ILE  75   1.161  -6.944   1.297
  354   1HG1  ILE  75          2HG1      ILE  75  -0.444  -9.061  -0.124
  355   2HG1  ILE  75          3HG1      ILE  75   0.137  -9.320   1.526
  356   1HG2  ILE  75          1HG2      ILE  75  -0.027  -6.439  -0.897
  357   2HG2  ILE  75          2HG2      ILE  75   1.704  -6.329  -1.126
  358   3HG2  ILE  75          3HG2      ILE  75   0.832  -7.776  -1.663
  359   1HD1  ILE  75          1HD1      ILE  75  -1.067  -7.459   2.388
  360   2HD1  ILE  75          2HD1      ILE  75  -1.329  -6.779   0.794
  361   3HD1  ILE  75          3HD1      ILE  75  -2.186  -8.252   1.247
  362    H    ALA  76           H        ALA  76   3.790  -6.469   0.208
  363    HA   ALA  76           HA       ALA  76   5.542  -7.555  -1.945
  364   1HB   ALA  76          1HB       ALA  76   4.399  -5.544  -2.729
  365   2HB   ALA  76          2HB       ALA  76   4.751  -4.695  -1.206
  366   3HB   ALA  76          3HB       ALA  76   6.071  -5.106  -2.310
  367    H    LYS  77           H        LYS  77   7.842  -7.100  -1.592
  368    HA   LYS  77           HA       LYS  77   8.695  -6.077   1.050
  369   1HB   LYS  77          2HB       LYS  77   9.183  -8.890   0.029
  370   2HB   LYS  77          3HB       LYS  77  10.339  -8.121   1.112
  371   1HG   LYS  77          2HG       LYS  77   8.978  -8.212   2.964
  372   2HG   LYS  77          3HG       LYS  77   7.512  -7.996   2.035
  373   1HD   LYS  77          2HD       LYS  77   7.244 -10.164   2.748
  374   2HD   LYS  77          3HD       LYS  77   7.790 -10.325   1.096
  375   1HE   LYS  77          2HE       LYS  77   9.252 -11.838   1.988
  376   2HE   LYS  77          3HE       LYS  77  10.226 -10.409   2.352
  377   1HZ   LYS  77          1HZ       LYS  77   9.186 -10.405   4.559
  378   2HZ   LYS  77          2HZ       LYS  77   8.331 -11.757   4.173
  379   3HZ   LYS  77          3HZ       LYS  77   9.968 -11.822   4.264
  380    H    GLY  78           H        GLY  78  10.977  -5.491   1.060
  381   1HA   GLY  78          1HA       GLY  78  12.839  -4.533   0.118
  382   2HA   GLY  78          2HA       GLY  78  12.651  -5.650  -1.247
  383    H    ALA  79           H        ALA  79  13.253  -3.954  -2.699
  384    HA   ALA  79           HA       ALA  79  12.331  -1.417  -2.904
  385   1HB   ALA  79          1HB       ALA  79  14.079  -2.354  -4.344
  386   2HB   ALA  79          2HB       ALA  79  12.852  -3.256  -5.268
  387   3HB   ALA  79          3HB       ALA  79  12.856  -1.479  -5.283
  388    H    GLU  80           H        GLU  80  10.586  -4.312  -3.911
  389    HA   GLU  80           HA       GLU  80   8.467  -3.218  -5.396
  390   1HB   GLU  80          2HB       GLU  80   9.107  -5.663  -4.974
  391   2HB   GLU  80          3HB       GLU  80   8.331  -5.505  -3.394
  392   1HG   GLU  80          2HG       GLU  80   6.197  -4.966  -4.538
  393   2HG   GLU  80          3HG       GLU  80   7.008  -5.161  -6.103
  394    H    ALA  81           H        ALA  81   8.847  -3.595  -1.845
  395    HA   ALA  81           HA       ALA  81   6.232  -2.372  -1.272
  396   1HB   ALA  81          1HB       ALA  81   7.034  -4.130   0.184
  397   2HB   ALA  81          2HB       ALA  81   8.526  -3.240   0.541
  398   3HB   ALA  81          3HB       ALA  81   6.955  -2.613   1.085
  399    H    GLU  82           H        GLU  82   9.700  -1.545  -0.857
  400    HA   GLU  82           HA       GLU  82   9.391   0.952   0.409
  401   1HB   GLU  82          2HB       GLU  82  11.531  -0.031  -1.500
  402   2HB   GLU  82          3HB       GLU  82  11.697   1.388  -0.480
  403   1HG   GLU  82          2HG       GLU  82  11.582   0.076   1.539
  404   2HG   GLU  82          3HG       GLU  82  11.135  -1.392   0.670
  405    H    ALA  83           H        ALA  83   9.601   0.241  -3.104
  406    HA   ALA  83           HA       ALA  83   9.403   2.925  -4.000
  407   1HB   ALA  83          1HB       ALA  83  10.093   1.045  -5.448
  408   2HB   ALA  83          2HB       ALA  83   8.443   0.379  -5.381
  409   3HB   ALA  83          3HB       ALA  83   8.742   1.953  -6.147
  410    H    VAL  84           H        VAL  84   6.848   0.420  -3.446
  411    HA   VAL  84           HA       VAL  84   4.639   2.018  -4.205
  412    HB   VAL  84           HB       VAL  84   4.850  -0.269  -2.221
  413   1HG1  VAL  84          1HG1      VAL  84   2.448   1.324  -3.196
  414   2HG1  VAL  84          2HG1      VAL  84   2.328  -0.325  -2.552
  415   3HG1  VAL  84          3HG1      VAL  84   2.904   1.000  -1.518
  416   1HG2  VAL  84          1HG2      VAL  84   3.797  -1.499  -4.003
  417   2HG2  VAL  84          2HG2      VAL  84   3.614  -0.035  -4.993
  418   3HG2  VAL  84          3HG2      VAL  84   5.219  -0.688  -4.704
  419    H    ALA  85           H        ALA  85   5.836   1.444  -0.897
  420    HA   ALA  85           HA       ALA  85   4.410   3.324   0.529
  421   1HB   ALA  85          1HB       ALA  85   7.257   2.329   0.752
  422   2HB   ALA  85          2HB       ALA  85   6.664   3.597   1.829
  423   3HB   ALA  85          3HB       ALA  85   5.853   2.019   1.788
  424    H    ALA  86           H        ALA  86   7.527   4.059  -1.149
  425    HA   ALA  86           HA       ALA  86   7.469   6.827  -0.458
  426   1HB   ALA  86          1HB       ALA  86   9.262   7.079  -2.077
  427   2HB   ALA  86          2HB       ALA  86   9.501   5.608  -1.113
  428   3HB   ALA  86          3HB       ALA  86   8.894   5.485  -2.780
  429    H    TRP  87           H        TRP  87   6.383   5.179  -3.420
  430    HA   TRP  87           HA       TRP  87   5.632   7.515  -4.885
  431   1HB   TRP  87          2HB       TRP  87   5.959   5.349  -5.879
  432   2HB   TRP  87          3HB       TRP  87   4.722   4.644  -4.836
  433    HD1  TRP  87           HD1      TRP  87   5.001   6.970  -7.876
  434    HE1  TRP  87           HE1      TRP  87   2.905   6.687  -9.312
  435    HE3  TRP  87           HE3      TRP  87   2.346   3.941  -4.765
  436    HZ2  TRP  87           HZ2      TRP  87   0.331   5.335  -9.096
  437    HZ3  TRP  87           HZ3      TRP  87   0.047   3.207  -5.371
  438    HH2  TRP  87           HH2      TRP  87  -0.928   3.827  -7.556
  439    H    LEU  88           H        LEU  88   3.737   5.328  -2.753
  440    HA   LEU  88           HA       LEU  88   1.374   6.938  -2.889
  441   1HB   LEU  88          2HB       LEU  88   2.187   4.498  -1.461
  442   2HB   LEU  88          3HB       LEU  88   1.264   5.559  -0.424
  443    HG   LEU  88           HG       LEU  88  -0.002   5.399  -3.095
  444   1HD1  LEU  88          1HD1      LEU  88  -0.722   3.139  -2.995
  445   2HD1  LEU  88          2HD1      LEU  88   1.051   3.217  -3.121
  446   3HD1  LEU  88          3HD1      LEU  88   0.297   2.823  -1.558
  447   1HD2  LEU  88          1HD2      LEU  88  -1.092   6.198  -1.000
  448   2HD2  LEU  88          2HD2      LEU  88  -1.942   4.841  -1.777
  449   3HD2  LEU  88          3HD2      LEU  88  -0.947   4.545  -0.334
  450    H    ALA  89           H        ALA  89   4.207   7.128  -0.728
  451    HA   ALA  89           HA       ALA  89   3.159   9.075   1.025
  452   1HB   ALA  89          1HB       ALA  89   5.376   9.712   1.512
  453   2HB   ALA  89          2HB       ALA  89   5.396   7.966   1.223
  454   3HB   ALA  89          3HB       ALA  89   6.001   9.093  -0.014
  455    H    GLU  90           H        GLU  90   4.347   9.335  -2.346
  456    HA   GLU  90           HA       GLU  90   4.055  12.193  -2.450
  457   1HB   GLU  90          2HB       GLU  90   5.393  10.657  -4.079
  458   2HB   GLU  90          3HB       GLU  90   3.833  10.461  -4.902
  459   1HG   GLU  90          2HG       GLU  90   3.680  13.034  -4.919
  460   2HG   GLU  90          3HG       GLU  90   5.375  13.034  -4.391
  461    H    LYS  91           H        LYS  91   1.758   9.449  -2.941
  462    HA   LYS  91           HA       LYS  91  -0.223  11.171  -4.216
  463   1HB   LYS  91          2HB       LYS  91  -0.481   8.380  -3.046
  464   2HB   LYS  91          3HB       LYS  91  -1.695   9.192  -4.026
  465   1HG   LYS  91          2HG       LYS  91   0.148   9.446  -5.849
  466   2HG   LYS  91          3HG       LYS  91   1.092   8.336  -4.876
  467   1HD   LYS  91          2HD       LYS  91   0.107   6.727  -6.073
  468   2HD   LYS  91          3HD       LYS  91  -1.220   6.922  -4.936
  469   1HE   LYS  91          2HE       LYS  91  -1.709   8.883  -6.960
  470   2HE   LYS  91          3HE       LYS  91  -1.041   7.507  -7.844
  471   1HZ   LYS  91          1HZ       LYS  91  -3.401   7.508  -6.080
  472   2HZ   LYS  91          2HZ       LYS  91  -3.394   7.359  -7.715
  473   3HZ   LYS  91          3HZ       LYS  91  -2.777   6.154  -6.788
  474    H    LYS  92           H        LYS  92  -2.017  12.206  -3.297
  475    HA   LYS  92           HA       LYS  92  -2.642  11.910  -0.484
  476   1HB   LYS  92          2HB       LYS  92  -2.238  14.604  -1.861
  477   2HB   LYS  92          3HB       LYS  92  -2.891  14.326  -0.247
  478   1HG   LYS  92          2HG       LYS  92  -0.805  14.590   0.526
  479   2HG   LYS  92          3HG       LYS  92  -0.456  12.987  -0.110
  480   1HD   LYS  92          2HD       LYS  92   0.081  14.141  -2.328
  481   2HD   LYS  92          3HD       LYS  92  -0.024  15.691  -1.478
  482   1HE   LYS  92          2HE       LYS  92   1.853  15.142  -0.038
  483   2HE   LYS  92          3HE       LYS  92   1.795  13.437  -0.515
  484   1HZ   LYS  92          1HZ       LYS  92   2.417  14.020  -2.697
  485   2HZ   LYS  92          2HZ       LYS  92   2.561  15.624  -2.325
  486   3HZ   LYS  92          3HZ       LYS  92   3.569  14.509  -1.630
  487    HHA  HEC  93           HHA      HEC  93  -5.094  -0.777   6.487
  488    HHB  HEC  93           HHB      HEC  93  -0.701   0.661   2.053
  489    HHC  HEC  93           HHC      HEC  93  -1.860  -5.044  -0.777
  490    HHD  HEC  93           HHD      HEC  93  -6.940  -5.877   3.044
  491   1HMA  HEC  93          1HMA      HEC  93  -1.171   2.575   3.280
  492   2HMA  HEC  93          2HMA      HEC  93  -1.580   2.938   4.941
  493   3HMA  HEC  93          3HMA      HEC  93  -0.262   1.811   4.604
  494   1HAA  HEC  93          1HAA      HEC  93  -2.965   2.395   6.444
  495   2HAA  HEC  93          2HAA      HEC  93  -3.460   0.973   7.318
  496   1HBA  HEC  93          1HBA      HEC  93  -5.736   1.295   6.748
  497   2HBA  HEC  93          2HBA      HEC  93  -5.329   2.135   5.238
  498   1HMB  HEC  93          1HMB      HEC  93   1.336  -0.599  -0.630
  499   2HMB  HEC  93          2HMB      HEC  93  -0.102   0.189  -1.314
  500   3HMB  HEC  93          3HMB      HEC  93   0.479   0.622   0.287
  501    HAB  HEC  93           HAB      HEC  93  -0.347  -4.121  -1.870
  502   1HBB  HEC  93          1HBB      HEC  93   2.118  -2.535  -1.139
  503   2HBB  HEC  93          2HBB      HEC  93   1.663  -4.119  -0.495
  504   3HBB  HEC  93          3HBB      HEC  93   1.983  -3.917  -2.229
  505   1HMC  HEC  93          1HMC      HEC  93  -2.651  -7.072  -1.195
  506   2HMC  HEC  93          2HMC      HEC  93  -4.103  -8.040  -0.978
  507   3HMC  HEC  93          3HMC      HEC  93  -4.186  -6.520  -1.887
  508    HAC  HEC  93           HAC      HEC  93  -7.089  -7.307   1.493
  509   1HBC  HEC  93          1HBC      HEC  93  -5.786  -9.019   2.316
  510   2HBC  HEC  93          2HBC      HEC  93  -6.385  -9.661   0.784
  511   3HBC  HEC  93          3HBC      HEC  93  -4.712  -9.074   0.906
  512   1HMD  HEC  93          1HMD      HEC  93  -8.928  -4.424   5.906
  513   2HMD  HEC  93          2HMD      HEC  93  -8.681  -5.259   4.377
  514   3HMD  HEC  93          3HMD      HEC  93  -7.825  -5.805   5.841
  515   1HAD  HEC  93          1HAD      HEC  93  -8.303  -2.412   6.932
  516   2HAD  HEC  93          2HAD      HEC  93  -6.829  -1.656   7.489
  517   1HBD  HEC  93          1HBD      HEC  93  -6.495  -3.296   8.993
  518   2HBD  HEC  93          2HBD      HEC  93  -6.574  -4.534   7.733
  Start of MODEL   26
    1   1H    VAL  22          H1        VAL  22  11.457   1.246  -9.055
    2   2H    VAL  22          H2        VAL  22  12.157   0.321  -7.852
    3   3H    VAL  22          H3        VAL  22  12.199  -0.173  -9.443
    4    HA   VAL  22           HA       VAL  22   9.915   0.159  -7.708
    5    HB   VAL  22           HB       VAL  22  11.478  -2.055  -8.058
    6   1HG1  VAL  22          1HG1      VAL  22   9.939  -3.117  -6.641
    7   2HG1  VAL  22          2HG1      VAL  22  10.228  -1.423  -6.192
    8   3HG1  VAL  22          3HG1      VAL  22   8.695  -1.871  -6.977
    9   1HG2  VAL  22          1HG2      VAL  22  10.175  -2.722 -10.238
   10   2HG2  VAL  22          2HG2      VAL  22  10.234  -3.871  -8.885
   11   3HG2  VAL  22          3HG2      VAL  22   8.779  -2.938  -9.116
   12    H    ASP  23           H        ASP  23   8.473  -1.461 -10.227
   13    HA   ASP  23           HA       ASP  23   7.675   1.229 -11.297
   14   1HB   ASP  23          2HB       ASP  23   6.957  -1.632 -12.056
   15   2HB   ASP  23          3HB       ASP  23   6.040  -0.203 -12.570
   16    H    ALA  24           H        ALA  24   6.983   2.012  -9.310
   17    HA   ALA  24           HA       ALA  24   5.769   0.567  -7.262
   18   1HB   ALA  24          1HB       ALA  24   5.379   3.496  -8.036
   19   2HB   ALA  24          2HB       ALA  24   4.909   2.776  -6.487
   20   3HB   ALA  24          3HB       ALA  24   6.621   2.835  -6.951
   21    H    GLU  25           H        GLU  25   4.192   2.454  -9.840
   22    HA   GLU  25           HA       GLU  25   1.548   1.946  -9.112
   23   1HB   GLU  25          2HB       GLU  25   2.283   2.304 -12.021
   24   2HB   GLU  25          3HB       GLU  25   0.945   2.956 -11.084
   25   1HG   GLU  25          2HG       GLU  25   2.931   4.215  -9.782
   26   2HG   GLU  25          3HG       GLU  25   3.803   3.921 -11.292
   27    H    ALA  26           H        ALA  26   3.692   0.133 -11.362
   28    HA   ALA  26           HA       ALA  26   1.764  -1.770 -12.228
   29   1HB   ALA  26          1HB       ALA  26   3.973  -1.390 -13.335
   30   2HB   ALA  26          2HB       ALA  26   4.759  -2.189 -11.950
   31   3HB   ALA  26          3HB       ALA  26   3.645  -3.097 -12.976
   32    H    VAL  27           H        VAL  27   4.161  -1.871  -9.540
   33    HA   VAL  27           HA       VAL  27   3.506  -4.479  -8.606
   34    HB   VAL  27           HB       VAL  27   4.517  -2.015  -7.118
   35   1HG1  VAL  27          1HG1      VAL  27   3.420  -3.534  -5.488
   36   2HG1  VAL  27          2HG1      VAL  27   4.296  -4.908  -6.192
   37   3HG1  VAL  27          3HG1      VAL  27   5.172  -3.615  -5.347
   38   1HG2  VAL  27          1HG2      VAL  27   6.669  -3.175  -7.242
   39   2HG2  VAL  27          2HG2      VAL  27   5.913  -4.560  -8.064
   40   3HG2  VAL  27          3HG2      VAL  27   6.033  -3.002  -8.881
   41    H    VAL  28           H        VAL  28   2.222  -1.275  -7.548
   42    HA   VAL  28           HA       VAL  28   0.358  -2.316  -5.732
   43    HB   VAL  28           HB       VAL  28   0.496   0.227  -7.366
   44   1HG1  VAL  28          1HG1      VAL  28  -1.198   0.735  -5.152
   45   2HG1  VAL  28          2HG1      VAL  28  -1.588   0.812  -6.882
   46   3HG1  VAL  28          3HG1      VAL  28  -1.882  -0.658  -5.960
   47   1HG2  VAL  28          1HG2      VAL  28   1.922  -0.705  -5.169
   48   2HG2  VAL  28          2HG2      VAL  28   1.803   0.973  -5.686
   49   3HG2  VAL  28          3HG2      VAL  28   0.739   0.346  -4.414
   50    H    GLN  29           H        GLN  29  -0.095  -1.580  -9.161
   51    HA   GLN  29           HA       GLN  29  -2.760  -2.333  -9.514
   52   1HB   GLN  29          2HB       GLN  29  -0.344  -2.447 -11.312
   53   2HB   GLN  29          3HB       GLN  29  -1.932  -2.961 -11.862
   54   1HG   GLN  29          2HG       GLN  29  -1.489  -0.203 -10.616
   55   2HG   GLN  29          3HG       GLN  29  -1.186  -0.522 -12.324
   56   1HE2  GLN  29          1HE2      GLN  29  -3.634   0.291 -10.018
   57   2HE2  GLN  29          2HE2      GLN  29  -4.982   0.108 -11.110
   58    H    GLN  30           H        GLN  30  -0.053  -4.480  -8.732
   59    HA   GLN  30           HA       GLN  30  -1.981  -6.721  -8.860
   60   1HB   GLN  30          2HB       GLN  30   0.621  -6.466 -10.330
   61   2HB   GLN  30          3HB       GLN  30   0.309  -8.044  -9.617
   62   1HG   GLN  30          2HG       GLN  30  -2.022  -6.912 -11.043
   63   2HG   GLN  30          3HG       GLN  30  -0.606  -7.229 -12.041
   64   1HE2  GLN  30          1HE2      GLN  30  -2.785  -8.796  -9.604
   65   2HE2  GLN  30          2HE2      GLN  30  -2.548 -10.412 -10.248
   66    H    LYS  31           H        LYS  31  -1.372  -5.179  -6.657
   67    HA   LYS  31           HA       LYS  31  -0.915  -7.416  -4.906
   68   1HB   LYS  31          2HB       LYS  31   1.346  -5.591  -5.427
   69   2HB   LYS  31          3HB       LYS  31   0.992  -5.744  -3.722
   70   1HG   LYS  31          2HG       LYS  31   1.943  -7.777  -3.604
   71   2HG   LYS  31          3HG       LYS  31   1.004  -8.385  -4.966
   72   1HD   LYS  31          2HD       LYS  31   2.613  -7.241  -6.520
   73   2HD   LYS  31          3HD       LYS  31   3.629  -6.832  -5.129
   74   1HE   LYS  31          2HE       LYS  31   2.734  -9.686  -5.763
   75   2HE   LYS  31          3HE       LYS  31   4.189  -8.967  -6.459
   76   1HZ   LYS  31          1HZ       LYS  31   5.142  -8.695  -4.412
   77   2HZ   LYS  31          2HZ       LYS  31   3.828  -9.153  -3.509
   78   3HZ   LYS  31          3HZ       LYS  31   4.649 -10.237  -4.462
   79    H    CYS  32           H        CYS  32  -1.492  -3.885  -5.186
   80    HA   CYS  32           HA       CYS  32  -2.654  -3.993  -2.450
   81   1HB   CYS  32          2HB       CYS  32  -2.327  -1.494  -4.046
   82   2HB   CYS  32          3HB       CYS  32  -2.434  -1.720  -2.311
   83    H    ILE  33           H        ILE  33  -3.451  -2.951  -5.756
   84    HA   ILE  33           HA       ILE  33  -6.068  -2.135  -5.159
   85    HB   ILE  33           HB       ILE  33  -6.598  -2.345  -7.453
   86   1HG1  ILE  33          2HG1      ILE  33  -3.949  -3.602  -8.114
   87   2HG1  ILE  33          3HG1      ILE  33  -5.347  -4.611  -7.811
   88   1HG2  ILE  33          1HG2      ILE  33  -5.186  -0.447  -6.700
   89   2HG2  ILE  33          2HG2      ILE  33  -3.729  -1.358  -7.137
   90   3HG2  ILE  33          3HG2      ILE  33  -4.866  -0.866  -8.389
   91   1HD1  ILE  33          1HD1      ILE  33  -5.255  -2.506  -9.980
   92   2HD1  ILE  33          2HD1      ILE  33  -5.278  -4.271 -10.170
   93   3HD1  ILE  33          3HD1      ILE  33  -6.685  -3.449  -9.501
   94    H    SER  34           H        SER  34  -4.832  -5.396  -5.574
   95    HA   SER  34           HA       SER  34  -6.927  -7.007  -6.068
   96   1HB   SER  34          2HB       SER  34  -5.008  -7.366  -3.732
   97   2HB   SER  34          3HB       SER  34  -5.711  -8.627  -4.763
   98    HG   SER  34           HG       SER  34  -4.524  -7.688  -6.515
   99    H    CYS  35           H        CYS  35  -6.382  -5.171  -3.064
  100    HA   CYS  35           HA       CYS  35  -9.136  -5.937  -2.153
  101   1HB   CYS  35          2HB       CYS  35  -6.898  -4.954  -0.410
  102   2HB   CYS  35          3HB       CYS  35  -8.437  -5.687   0.086
  103    H    HIS  36           HN       HIS  36  -6.736  -3.300  -2.534
  104    HA   HIS  36           HA       HIS  36  -8.542  -1.287  -1.500
  105   1HB   HIS  36          2HB       HIS  36  -5.772  -1.203  -2.739
  106   2HB   HIS  36          3HB       HIS  36  -6.641   0.217  -2.163
  107    HD1  HIS  36           HD1      HIS  36  -7.333   0.220   0.499
  108    HD2  HIS  36           HD2      HIS  36  -4.411  -2.513  -0.801
  109    HE1  HIS  36           1HE      HIS  36  -6.052  -0.484   2.567
  110    H    GLY  37           H        GLY  37  -8.660  -2.837  -4.434
  111   1HA   GLY  37          1HA       GLY  37 -10.643  -2.452  -5.604
  112   2HA   GLY  37          2HA       GLY  37 -10.485  -0.702  -5.416
  113    H    GLY  38           H        GLY  38  -8.601   0.268  -6.529
  114   1HA   GLY  38          1HA       GLY  38  -7.357  -0.897  -8.883
  115   2HA   GLY  38          2HA       GLY  38  -8.879  -0.097  -9.288
  116    H    ASP  39           H        ASP  39  -9.112   1.981  -7.757
  117    HA   ASP  39           HA       ASP  39  -6.875   3.760  -8.543
  118   1HB   ASP  39          2HB       ASP  39  -9.802   4.240  -7.858
  119   2HB   ASP  39          3HB       ASP  39  -8.622   5.541  -8.053
  120    H    LEU  40           H        LEU  40  -7.519   1.941  -5.757
  121    HA   LEU  40           HA       LEU  40  -6.610   2.086  -3.768
  122   1HB   LEU  40          2HB       LEU  40  -5.761   4.959  -4.222
  123   2HB   LEU  40          3HB       LEU  40  -5.155   3.847  -3.040
  124    HG   LEU  40           HG       LEU  40  -4.772   3.199  -5.992
  125   1HD1  LEU  40          1HD1      LEU  40  -2.626   4.383  -5.894
  126   2HD1  LEU  40          2HD1      LEU  40  -4.031   5.454  -5.776
  127   3HD1  LEU  40          3HD1      LEU  40  -3.082   5.072  -4.313
  128   1HD2  LEU  40          1HD2      LEU  40  -2.884   2.031  -5.215
  129   2HD2  LEU  40          2HD2      LEU  40  -3.074   2.606  -3.547
  130   3HD2  LEU  40          3HD2      LEU  40  -4.263   1.476  -4.251
  131    H    THR  41           H        THR  41  -9.254   3.158  -4.829
  132    HA   THR  41           HA       THR  41 -10.222   5.241  -3.071
  133    HB   THR  41           HB       THR  41 -12.341   4.424  -4.440
  134    HG1  THR  41           1HG      THR  41 -11.735   3.255  -6.285
  135   1HG2  THR  41          1HG2      THR  41 -11.154   6.521  -4.952
  136   2HG2  THR  41          2HG2      THR  41  -9.896   5.628  -5.825
  137   3HG2  THR  41          3HG2      THR  41 -11.556   5.673  -6.456
  138    H    GLY  42           H        GLY  42  -9.839   1.818  -3.020
  139   1HA   GLY  42          1HA       GLY  42 -10.157   0.551  -1.067
  140   2HA   GLY  42          2HA       GLY  42 -11.487   1.599  -0.540
  141    H    ALA  43           H        ALA  43 -11.700  -1.126  -0.712
  142    HA   ALA  43           HA       ALA  43 -14.043  -1.478  -2.358
  143   1HB   ALA  43          1HB       ALA  43 -11.550  -2.956  -3.325
  144   2HB   ALA  43          2HB       ALA  43 -13.214  -3.355  -3.791
  145   3HB   ALA  43          3HB       ALA  43 -12.530  -1.782  -4.217
  146    H    SER  44           H        SER  44 -11.585  -3.914  -1.480
  147    HA   SER  44           HA       SER  44 -13.454  -5.122   0.523
  148   1HB   SER  44          2HB       SER  44 -11.157  -6.147  -1.137
  149   2HB   SER  44          3HB       SER  44 -11.436  -6.877   0.446
  150    HG   SER  44           HG       SER  44 -13.546  -7.346  -0.181
  151    H    ALA  45           H        ALA  45 -11.303  -2.677   0.456
  152    HA   ALA  45           HA       ALA  45 -10.335  -2.998   3.189
  153   1HB   ALA  45          1HB       ALA  45  -8.695  -4.178   1.732
  154   2HB   ALA  45          2HB       ALA  45  -8.553  -2.735   0.705
  155   3HB   ALA  45          3HB       ALA  45  -7.968  -2.704   2.366
  156    HA   PRO  46           HA       PRO  46 -11.157   1.291   3.056
  157   1HB   PRO  46          2HB       PRO  46  -9.175   2.516   4.559
  158   2HB   PRO  46          3HB       PRO  46 -10.460   1.481   5.245
  159   1HG   PRO  46          2HG       PRO  46  -7.624   0.718   4.549
  160   2HG   PRO  46          3HG       PRO  46  -8.540   0.335   6.033
  161   1HD   PRO  46          2HD       PRO  46  -8.261  -1.408   3.980
  162   2HD   PRO  46          3HD       PRO  46  -9.771  -1.368   4.928
  163    H    ALA  47           H        ALA  47 -10.408   3.502   2.361
  164    HA   ALA  47           HA       ALA  47  -9.042   3.246  -0.166
  165   1HB   ALA  47          1HB       ALA  47  -9.989   5.756   1.269
  166   2HB   ALA  47          2HB       ALA  47  -9.646   5.564  -0.466
  167   3HB   ALA  47          3HB       ALA  47 -11.017   4.705   0.276
  168    H    ILE  48           H        ILE  48  -6.931   3.599  -0.568
  169    HA   ILE  48           HA       ILE  48  -5.212   4.869   1.528
  170    HB   ILE  48           HB       ILE  48  -3.359   3.446   0.845
  171   1HG1  ILE  48          2HG1      ILE  48  -5.388   1.868  -0.790
  172   2HG1  ILE  48          3HG1      ILE  48  -4.119   2.931  -1.429
  173   1HG2  ILE  48          1HG2      ILE  48  -5.849   1.971   1.801
  174   2HG2  ILE  48          2HG2      ILE  48  -4.175   1.456   2.048
  175   3HG2  ILE  48          3HG2      ILE  48  -4.753   2.940   2.800
  176   1HD1  ILE  48          1HD1      ILE  48  -2.367   1.555  -0.422
  177   2HD1  ILE  48          2HD1      ILE  48  -3.596   0.426   0.176
  178   3HD1  ILE  48          3HD1      ILE  48  -3.372   0.642  -1.564
  179    H    ASP  49           H        ASP  49  -6.607   5.457  -1.350
  180    HA   ASP  49           HA       ASP  49  -4.896   6.688  -3.078
  181   1HB   ASP  49          2HB       ASP  49  -6.689   8.282  -3.451
  182   2HB   ASP  49          3HB       ASP  49  -7.384   6.681  -3.200
  183    H    LYS  50           H        LYS  50  -5.962   8.031   0.028
  184    HA   LYS  50           HA       LYS  50  -3.792  10.069  -0.032
  185   1HB   LYS  50          2HB       LYS  50  -6.124  10.857  -0.117
  186   2HB   LYS  50          3HB       LYS  50  -6.515   9.925   1.318
  187   1HG   LYS  50          2HG       LYS  50  -4.281  11.644   1.938
  188   2HG   LYS  50          3HG       LYS  50  -5.430  12.621   1.053
  189   1HD   LYS  50          2HD       LYS  50  -7.105  12.412   2.672
  190   2HD   LYS  50          3HD       LYS  50  -6.505  10.848   3.261
  191   1HE   LYS  50          2HE       LYS  50  -4.565  11.891   4.308
  192   2HE   LYS  50          3HE       LYS  50  -5.117  13.504   3.794
  193   1HZ   LYS  50          1HZ       LYS  50  -5.659  12.941   6.073
  194   2HZ   LYS  50          2HZ       LYS  50  -7.051  13.175   5.207
  195   3HZ   LYS  50          3HZ       LYS  50  -6.510  11.653   5.617
  196    H    ALA  51           H        ALA  51  -3.216   7.315   0.689
  197    HA   ALA  51           HA       ALA  51  -2.984   7.088   3.537
  198   1HB   ALA  51          1HB       ALA  51  -1.225   5.970   1.318
  199   2HB   ALA  51          2HB       ALA  51  -1.139   5.518   3.038
  200   3HB   ALA  51          3HB       ALA  51  -2.607   5.179   2.114
  201    H    GLY  52           H        GLY  52  -0.808   8.539   1.046
  202   1HA   GLY  52          1HA       GLY  52   1.427   8.978   2.525
  203   2HA   GLY  52          2HA       GLY  52   0.886  10.040   1.211
  204    H    ALA  53           H        ALA  53  -1.393  11.160   2.442
  205    HA   ALA  53           HA       ALA  53  -0.057  13.167   4.117
  206   1HB   ALA  53          1HB       ALA  53  -2.873  12.861   3.092
  207   2HB   ALA  53          2HB       ALA  53  -2.413  14.137   4.236
  208   3HB   ALA  53          3HB       ALA  53  -1.653  14.060   2.640
  209    H    ASN  54           H        ASN  54  -1.741  10.184   4.783
  210    HA   ASN  54           HA       ASN  54  -2.462  11.013   7.547
  211   1HB   ASN  54          2HB       ASN  54  -2.731   8.356   6.092
  212   2HB   ASN  54          3HB       ASN  54  -3.183   8.651   7.769
  213   1HD2  ASN  54          1HD2      ASN  54  -4.773   7.911   5.257
  214   2HD2  ASN  54          2HD2      ASN  54  -6.133   8.998   5.326
  215    H    TYR  55           H        TYR  55  -0.187   8.869   5.758
  216    HA   TYR  55           HA       TYR  55   1.551   8.677   8.173
  217   1HB   TYR  55          2HB       TYR  55   0.924   6.342   6.368
  218   2HB   TYR  55          3HB       TYR  55   1.628   6.321   7.974
  219    HD1  TYR  55           HD1      TYR  55  -1.111   5.279   6.249
  220    HD2  TYR  55           HD2      TYR  55  -0.124   7.473   9.827
  221    HE1  TYR  55           HE1      TYR  55  -3.259   4.590   7.266
  222    HE2  TYR  55           HE2      TYR  55  -2.299   6.802  10.823
  223    HH   TYR  55           HH       TYR  55  -4.439   4.394   9.234
  224    H    SER  56           H        SER  56   3.773   8.669   7.615
  225    HA   SER  56           HA       SER  56   4.464   9.526   4.881
  226   1HB   SER  56          2HB       SER  56   5.515  10.584   6.815
  227   2HB   SER  56          3HB       SER  56   6.085   9.021   7.411
  228    HG   SER  56           HG       SER  56   6.961   9.922   4.845
  229    H    GLU  57           H        GLU  57   6.422   8.406   3.817
  230    HA   GLU  57           HA       GLU  57   5.808   5.789   3.083
  231   1HB   GLU  57          2HB       GLU  57   8.165   5.672   2.263
  232   2HB   GLU  57          3HB       GLU  57   7.116   6.910   1.588
  233   1HG   GLU  57          2HG       GLU  57   8.908   7.655   3.904
  234   2HG   GLU  57          3HG       GLU  57   9.565   7.450   2.282
  235    H    GLU  58           H        GLU  58   8.085   6.870   5.660
  236    HA   GLU  58           HA       GLU  58   9.091   4.328   6.338
  237   1HB   GLU  58          2HB       GLU  58   8.543   6.788   8.054
  238   2HB   GLU  58          3HB       GLU  58   9.402   5.352   8.632
  239   1HG   GLU  58          2HG       GLU  58  11.088   5.600   6.845
  240   2HG   GLU  58          3HG       GLU  58  10.267   7.050   6.243
  241    H    GLU  59           H        GLU  59   5.906   5.756   7.091
  242    HA   GLU  59           HA       GLU  59   5.241   3.659   9.043
  243   1HB   GLU  59          2HB       GLU  59   3.739   5.994   7.858
  244   2HB   GLU  59          3HB       GLU  59   3.081   4.904   9.097
  245   1HG   GLU  59          2HG       GLU  59   4.655   5.674  10.727
  246   2HG   GLU  59          3HG       GLU  59   5.637   6.515   9.515
  247    H    ILE  60           H        ILE  60   4.221   4.781   5.771
  248    HA   ILE  60           HA       ILE  60   2.197   2.839   5.378
  249    HB   ILE  60           HB       ILE  60   3.899   4.322   3.362
  250   1HG1  ILE  60          2HG1      ILE  60   1.103   4.746   4.513
  251   2HG1  ILE  60          3HG1      ILE  60   2.528   5.686   4.886
  252   1HG2  ILE  60          1HG2      ILE  60   2.645   2.152   2.491
  253   2HG2  ILE  60          2HG2      ILE  60   1.188   3.110   2.744
  254   3HG2  ILE  60          3HG2      ILE  60   2.438   3.669   1.631
  255   1HD1  ILE  60          1HD1      ILE  60   1.101   6.847   3.277
  256   2HD1  ILE  60          2HD1      ILE  60   2.664   6.459   2.525
  257   3HD1  ILE  60          3HD1      ILE  60   1.202   5.510   2.142
  258    H    LEU  61           H        LEU  61   5.671   2.892   4.600
  259    HA   LEU  61           HA       LEU  61   5.899   0.418   3.323
  260   1HB   LEU  61          2HB       LEU  61   7.691   2.128   3.378
  261   2HB   LEU  61          3HB       LEU  61   7.903   1.859   5.116
  262    HG   LEU  61           HG       LEU  61   8.698  -0.396   4.712
  263   1HD1  LEU  61          1HD1      LEU  61   7.423  -1.143   2.819
  264   2HD1  LEU  61          2HD1      LEU  61   7.992   0.197   1.812
  265   3HD1  LEU  61          3HD1      LEU  61   9.106  -1.110   2.276
  266   1HD2  LEU  61          1HD2      LEU  61  10.782   0.134   3.585
  267   2HD2  LEU  61          2HD2      LEU  61  10.048   1.560   2.812
  268   3HD2  LEU  61          3HD2      LEU  61  10.279   1.514   4.574
  269    H    ASP  62           H        ASP  62   6.122   1.262   6.825
  270    HA   ASP  62           HA       ASP  62   6.545  -1.366   7.760
  271   1HB   ASP  62          2HB       ASP  62   6.646   0.848   9.063
  272   2HB   ASP  62          3HB       ASP  62   4.887   0.704   9.248
  273    H    ILE  63           H        ILE  63   3.449   0.435   7.188
  274    HA   ILE  63           HA       ILE  63   1.804  -1.817   7.878
  275    HB   ILE  63           HB       ILE  63   1.134   0.503   6.028
  276   1HG1  ILE  63          2HG1      ILE  63   0.442   0.150   8.962
  277   2HG1  ILE  63          3HG1      ILE  63   1.810   1.099   8.378
  278   1HG2  ILE  63          1HG2      ILE  63  -1.252  -0.116   6.686
  279   2HG2  ILE  63          2HG2      ILE  63  -0.461  -1.241   5.592
  280   3HG2  ILE  63          3HG2      ILE  63  -0.600  -1.627   7.322
  281   1HD1  ILE  63          1HD1      ILE  63   0.099   2.663   8.768
  282   2HD1  ILE  63          2HD1      ILE  63   0.206   2.494   7.008
  283   3HD1  ILE  63          3HD1      ILE  63  -1.111   1.709   7.915
  284    H    ILE  64           H        ILE  64   3.478  -1.123   4.816
  285    HA   ILE  64           HA       ILE  64   2.082  -3.263   3.401
  286    HB   ILE  64           HB       ILE  64   4.641  -1.754   2.836
  287   1HG1  ILE  64          2HG1      ILE  64   2.040  -1.714   1.280
  288   2HG1  ILE  64          3HG1      ILE  64   2.205  -0.713   2.717
  289   1HG2  ILE  64          1HG2      ILE  64   3.235  -3.915   1.219
  290   2HG2  ILE  64          2HG2      ILE  64   4.406  -2.780   0.522
  291   3HG2  ILE  64          3HG2      ILE  64   4.919  -3.914   1.775
  292   1HD1  ILE  64          1HD1      ILE  64   4.062  -0.547   0.309
  293   2HD1  ILE  64          2HD1      ILE  64   2.783   0.598   0.756
  294   3HD1  ILE  64          3HD1      ILE  64   4.180   0.395   1.808
  295    H    LEU  65           H        LEU  65   5.233  -3.031   5.075
  296    HA   LEU  65           HA       LEU  65   5.964  -5.752   4.515
  297   1HB   LEU  65          2HB       LEU  65   7.021  -3.669   6.444
  298   2HB   LEU  65          3HB       LEU  65   7.760  -5.254   6.249
  299    HG   LEU  65           HG       LEU  65   7.391  -3.289   3.945
  300   1HD1  LEU  65          1HD1      LEU  65   8.858  -2.370   5.754
  301   2HD1  LEU  65          2HD1      LEU  65   9.892  -3.799   5.617
  302   3HD1  LEU  65          3HD1      LEU  65   9.742  -2.684   4.245
  303   1HD2  LEU  65          1HD2      LEU  65   9.277  -5.677   4.192
  304   2HD2  LEU  65          2HD2      LEU  65   7.764  -5.701   3.263
  305   3HD2  LEU  65          3HD2      LEU  65   9.072  -4.618   2.786
  306    H    ASN  66           H        ASN  66   4.006  -4.354   7.136
  307    HA   ASN  66           HA       ASN  66   4.373  -6.879   8.747
  308   1HB   ASN  66          2HB       ASN  66   4.031  -4.012   9.708
  309   2HB   ASN  66          3HB       ASN  66   4.039  -5.447  10.739
  310   1HD2  ASN  66          1HD2      ASN  66   5.873  -3.041  10.610
  311   2HD2  ASN  66          2HD2      ASN  66   7.473  -3.733  10.506
  312    H    GLY  67           H        GLY  67   2.557  -5.797   6.698
  313   1HA   GLY  67          1HA       GLY  67   0.317  -5.155   6.217
  314   2HA   GLY  67          2HA       GLY  67   0.022  -6.678   6.867
  315    H    GLN  68           H        GLN  68  -1.985  -6.057   8.051
  316    HA   GLN  68           HA       GLN  68  -1.999  -4.706  10.501
  317   1HB   GLN  68          2HB       GLN  68  -1.488  -2.599   9.382
  318   2HB   GLN  68          3HB       GLN  68  -2.731  -2.863   8.165
  319   1HG   GLN  68          2HG       GLN  68  -4.405  -2.637  10.123
  320   2HG   GLN  68          3HG       GLN  68  -3.021  -2.233  11.135
  321   1HE2  GLN  68          1HE2      GLN  68  -5.505  -0.768   9.530
  322   2HE2  GLN  68          2HE2      GLN  68  -4.718   0.758   9.065
  323    H    GLY  69           H        GLY  69  -4.051  -5.279  11.511
  324   1HA   GLY  69          1HA       GLY  69  -5.845  -6.657  11.649
  325   2HA   GLY  69          2HA       GLY  69  -6.529  -5.430  10.587
  326    H    GLY  70           H        GLY  70  -7.419  -6.202   8.740
  327   1HA   GLY  70          1HA       GLY  70  -7.309  -8.995   8.026
  328   2HA   GLY  70          2HA       GLY  70  -8.079  -7.694   7.109
  329    H    MET  71           H        MET  71  -5.307  -6.276   7.148
  330    HA   MET  71           HA       MET  71  -4.503  -7.169   4.538
  331   1HB   MET  71          1HB       MET  71  -4.473  -4.810   5.429
  332   2HB   MET  71          2HB       MET  71  -3.110  -5.228   6.422
  333   1HG   MET  71          1HG       MET  71  -1.718  -5.777   4.678
  334   2HG   MET  71          2HG       MET  71  -2.968  -5.705   3.453
  335   1HE   MET  71          1HE       MET  71  -0.190  -2.938   2.976
  336   2HE   MET  71          2HE       MET  71   0.029  -4.376   4.000
  337   3HE   MET  71          3HE       MET  71  -0.828  -4.533   2.469
  338    HA   PRO  72           HA       PRO  72  -1.586 -10.041   6.502
  339   1HB   PRO  72          2HB       PRO  72  -0.713 -11.402   4.295
  340   2HB   PRO  72          3HB       PRO  72  -2.261 -11.647   5.142
  341   1HG   PRO  72          2HG       PRO  72  -1.689 -10.125   2.583
  342   2HG   PRO  72          3HG       PRO  72  -3.103 -11.151   2.933
  343   1HD   PRO  72          2HD       PRO  72  -3.016  -8.345   3.120
  344   2HD   PRO  72          3HD       PRO  72  -4.197  -9.375   3.972
  345    H    GLY  73           H        GLY  73   0.310  -9.391   7.134
  346   1HA   GLY  73          1HA       GLY  73   1.857  -7.509   5.869
  347   2HA   GLY  73          2HA       GLY  73   2.481  -8.561   7.183
  348    H    GLY  74           H        GLY  74   3.372  -7.210   4.585
  349   1HA   GLY  74          1HA       GLY  74   5.328  -7.749   3.363
  350   2HA   GLY  74          2HA       GLY  74   5.227  -9.423   3.922
  351    H    ILE  75           H        ILE  75   2.720  -7.569   2.329
  352    HA   ILE  75           HA       ILE  75   2.098  -9.488   0.332
  353    HB   ILE  75           HB       ILE  75   1.230  -6.809   1.261
  354   1HG1  ILE  75          2HG1      ILE  75   0.087  -8.882   1.689
  355   2HG1  ILE  75          3HG1      ILE  75  -0.909  -7.598   1.002
  356   1HG2  ILE  75          1HG2      ILE  75   1.805  -6.123  -1.123
  357   2HG2  ILE  75          2HG2      ILE  75   0.846  -7.462  -1.740
  358   3HG2  ILE  75          3HG2      ILE  75   0.068  -6.162  -0.841
  359   1HD1  ILE  75          1HD1      ILE  75  -1.548  -9.746   0.086
  360   2HD1  ILE  75          2HD1      ILE  75  -0.862  -8.767  -1.210
  361   3HD1  ILE  75          3HD1      ILE  75   0.097 -10.072  -0.478
  362    H    ALA  76           H        ALA  76   4.005  -6.504   0.152
  363    HA   ALA  76           HA       ALA  76   5.539  -7.558  -2.179
  364   1HB   ALA  76          1HB       ALA  76   6.160  -5.224  -2.527
  365   2HB   ALA  76          2HB       ALA  76   4.399  -5.374  -2.546
  366   3HB   ALA  76          3HB       ALA  76   5.218  -4.719  -1.112
  367    H    LYS  77           H        LYS  77   7.923  -7.138  -1.995
  368    HA   LYS  77           HA       LYS  77   8.975  -6.759   0.760
  369   1HB   LYS  77          2HB       LYS  77   9.736  -8.979  -1.201
  370   2HB   LYS  77          3HB       LYS  77  10.725  -8.468   0.166
  371   1HG   LYS  77          2HG       LYS  77   8.576  -8.953   1.609
  372   2HG   LYS  77          3HG       LYS  77   8.084  -9.924   0.208
  373   1HD   LYS  77          2HD       LYS  77  10.386 -11.039   0.309
  374   2HD   LYS  77          3HD       LYS  77  10.692 -10.125   1.801
  375   1HE   LYS  77          2HE       LYS  77   8.612 -11.234   2.791
  376   2HE   LYS  77          3HE       LYS  77   8.555 -12.256   1.343
  377   1HZ   LYS  77          1HZ       LYS  77  10.747 -12.126   3.313
  378   2HZ   LYS  77          2HZ       LYS  77   9.699 -13.371   3.091
  379   3HZ   LYS  77          3HZ       LYS  77  10.801 -13.011   1.926
  380    H    GLY  78           H        GLY  78  11.172  -5.993   0.805
  381   1HA   GLY  78          1HA       GLY  78  12.880  -4.618   0.102
  382   2HA   GLY  78          2HA       GLY  78  12.835  -5.574  -1.394
  383    H    ALA  79           H        ALA  79  13.176  -3.852  -2.834
  384    HA   ALA  79           HA       ALA  79  12.042  -1.347  -2.786
  385   1HB   ALA  79          1HB       ALA  79  12.483  -1.209  -5.169
  386   2HB   ALA  79          2HB       ALA  79  13.809  -2.060  -4.358
  387   3HB   ALA  79          3HB       ALA  79  12.600  -2.979  -5.290
  388    H    GLU  80           H        GLU  80  10.490  -4.370  -3.796
  389    HA   GLU  80           HA       GLU  80   8.278  -3.360  -5.270
  390   1HB   GLU  80          2HB       GLU  80   9.228  -5.751  -4.880
  391   2HB   GLU  80          3HB       GLU  80   8.146  -5.782  -3.480
  392   1HG   GLU  80          2HG       GLU  80   6.225  -5.535  -4.907
  393   2HG   GLU  80          3HG       GLU  80   7.269  -5.234  -6.321
  394    H    ALA  81           H        ALA  81   8.967  -3.573  -1.793
  395    HA   ALA  81           HA       ALA  81   6.327  -2.471  -1.038
  396   1HB   ALA  81          1HB       ALA  81   8.751  -3.067   0.699
  397   2HB   ALA  81          2HB       ALA  81   7.095  -2.698   1.222
  398   3HB   ALA  81          3HB       ALA  81   7.431  -4.206   0.366
  399    H    GLU  82           H        GLU  82   9.817  -1.512  -0.895
  400    HA   GLU  82           HA       GLU  82   9.394   0.996   0.263
  401   1HB   GLU  82          2HB       GLU  82  11.649   0.343  -1.654
  402   2HB   GLU  82          3HB       GLU  82  11.608   1.608  -0.463
  403   1HG   GLU  82          2HG       GLU  82  11.434  -0.040   1.368
  404   2HG   GLU  82          3HG       GLU  82  11.538  -1.364   0.212
  405    H    ALA  83           H        ALA  83   9.761   0.375  -3.307
  406    HA   ALA  83           HA       ALA  83   9.482   3.073  -4.090
  407   1HB   ALA  83          1HB       ALA  83  10.273   1.230  -5.541
  408   2HB   ALA  83          2HB       ALA  83   8.631   0.542  -5.559
  409   3HB   ALA  83          3HB       ALA  83   8.938   2.134  -6.288
  410    H    VAL  84           H        VAL  84   7.050   0.532  -3.462
  411    HA   VAL  84           HA       VAL  84   4.774   2.028  -4.352
  412    HB   VAL  84           HB       VAL  84   5.107  -0.349  -2.485
  413   1HG1  VAL  84          1HG1      VAL  84   2.609   1.140  -3.342
  414   2HG1  VAL  84          2HG1      VAL  84   2.596  -0.564  -2.817
  415   3HG1  VAL  84          3HG1      VAL  84   3.124   0.713  -1.706
  416   1HG2  VAL  84          1HG2      VAL  84   4.123  -1.525  -4.413
  417   2HG2  VAL  84          2HG2      VAL  84   4.063   0.002  -5.324
  418   3HG2  VAL  84          3HG2      VAL  84   5.620  -0.703  -4.887
  419    H    ALA  85           H        ALA  85   6.048   1.468  -1.052
  420    HA   ALA  85           HA       ALA  85   4.368   3.195   0.346
  421   1HB   ALA  85          1HB       ALA  85   6.123   3.340   2.023
  422   2HB   ALA  85          2HB       ALA  85   6.031   1.687   1.378
  423   3HB   ALA  85          3HB       ALA  85   7.340   2.765   0.862
  424    H    ALA  86           H        ALA  86   7.481   4.034  -1.226
  425    HA   ALA  86           HA       ALA  86   7.494   6.810  -0.579
  426   1HB   ALA  86          1HB       ALA  86   8.712   5.377  -2.970
  427   2HB   ALA  86          2HB       ALA  86   9.132   7.004  -2.388
  428   3HB   ALA  86          3HB       ALA  86   9.461   5.587  -1.372
  429    H    TRP  87           H        TRP  87   6.261   5.101  -3.480
  430    HA   TRP  87           HA       TRP  87   5.317   7.381  -4.871
  431   1HB   TRP  87          2HB       TRP  87   5.639   5.203  -5.866
  432   2HB   TRP  87          3HB       TRP  87   4.415   4.491  -4.823
  433    HD1  TRP  87           HD1      TRP  87   4.560   7.185  -7.600
  434    HE1  TRP  87           HE1      TRP  87   2.539   6.782  -9.188
  435    HE3  TRP  87           HE3      TRP  87   2.298   3.305  -5.170
  436    HZ2  TRP  87           HZ2      TRP  87   0.091   5.322  -9.145
  437    HZ3  TRP  87           HZ3      TRP  87   0.045   2.545  -5.869
  438    HH2  TRP  87           HH2      TRP  87  -1.075   3.532  -7.812
  439    H    LEU  88           H        LEU  88   3.674   5.240  -2.510
  440    HA   LEU  88           HA       LEU  88   1.179   6.652  -2.496
  441   1HB   LEU  88          2HB       LEU  88   2.466   4.718  -0.552
  442   2HB   LEU  88          3HB       LEU  88   0.942   5.516  -0.217
  443    HG   LEU  88           HG       LEU  88   1.292   3.102  -1.575
  444   1HD1  LEU  88          1HD1      LEU  88  -1.184   3.159  -1.755
  445   2HD1  LEU  88          2HD1      LEU  88  -0.630   3.628  -0.126
  446   3HD1  LEU  88          3HD1      LEU  88  -1.180   4.865  -1.287
  447   1HD2  LEU  88          1HD2      LEU  88  -0.103   5.065  -3.436
  448   2HD2  LEU  88          2HD2      LEU  88   1.574   4.524  -3.629
  449   3HD2  LEU  88          3HD2      LEU  88   0.246   3.341  -3.669
  450    H    ALA  89           H        ALA  89   4.145   7.129  -0.540
  451    HA   ALA  89           HA       ALA  89   3.105   9.122   1.178
  452   1HB   ALA  89          1HB       ALA  89   5.892   8.969  -0.001
  453   2HB   ALA  89          2HB       ALA  89   5.369   9.968   1.361
  454   3HB   ALA  89          3HB       ALA  89   5.296   8.203   1.490
  455    H    GLU  90           H        GLU  90   4.253   9.301  -2.184
  456    HA   GLU  90           HA       GLU  90   3.345  12.105  -2.406
  457   1HB   GLU  90          2HB       GLU  90   5.273  10.390  -3.797
  458   2HB   GLU  90          3HB       GLU  90   4.228  11.212  -4.946
  459   1HG   GLU  90          2HG       GLU  90   5.632  12.684  -2.682
  460   2HG   GLU  90          3HG       GLU  90   6.320  12.455  -4.292
  461    H    LYS  91           H        LYS  91   1.347   9.859  -1.926
  462    HA   LYS  91           HA       LYS  91  -0.425  10.841  -4.112
  463   1HB   LYS  91          2HB       LYS  91  -0.612   8.122  -2.773
  464   2HB   LYS  91          3HB       LYS  91  -1.800   8.891  -3.814
  465   1HG   LYS  91          2HG       LYS  91   0.436   9.139  -5.409
  466   2HG   LYS  91          3HG       LYS  91   0.842   7.691  -4.521
  467   1HD   LYS  91          2HD       LYS  91  -0.148   7.083  -6.569
  468   2HD   LYS  91          3HD       LYS  91  -1.269   6.598  -5.304
  469   1HE   LYS  91          2HE       LYS  91  -1.572   9.326  -6.638
  470   2HE   LYS  91          3HE       LYS  91  -2.002   7.897  -7.579
  471   1HZ   LYS  91          1HZ       LYS  91  -3.852   8.930  -6.366
  472   2HZ   LYS  91          2HZ       LYS  91  -3.660   7.335  -6.059
  473   3HZ   LYS  91          3HZ       LYS  91  -3.206   8.448  -4.942
  474    H    LYS  92           H        LYS  92  -2.225  11.872  -3.492
  475    HA   LYS  92           HA       LYS  92  -3.163  12.036  -0.790
  476   1HB   LYS  92          2HB       LYS  92  -1.876  14.384  -2.256
  477   2HB   LYS  92          3HB       LYS  92  -2.933  14.528  -0.845
  478   1HG   LYS  92          2HG       LYS  92  -1.393  13.164   0.493
  479   2HG   LYS  92          3HG       LYS  92  -0.241  13.051  -0.825
  480   1HD   LYS  92          2HD       LYS  92  -1.127  15.787   0.180
  481   2HD   LYS  92          3HD       LYS  92   0.052  14.833   1.079
  482   1HE   LYS  92          2HE       LYS  92   1.263  16.344  -0.345
  483   2HE   LYS  92          3HE       LYS  92   1.560  14.675  -0.841
  484   1HZ   LYS  92          1HZ       LYS  92   1.224  16.088  -2.708
  485   2HZ   LYS  92          2HZ       LYS  92   0.016  14.986  -2.637
  486   3HZ   LYS  92          3HZ       LYS  92  -0.277  16.544  -2.183
  487    HHA  HEC  93           HHA      HEC  93  -5.020  -0.390   6.275
  488    HHB  HEC  93           HHB      HEC  93  -0.629   0.830   1.782
  489    HHC  HEC  93           HHC      HEC  93  -1.807  -5.026  -0.756
  490    HHD  HEC  93           HHD      HEC  93  -6.906  -5.619   3.084
  491   1HMA  HEC  93          1HMA      HEC  93  -1.430   3.141   4.703
  492   2HMA  HEC  93          2HMA      HEC  93  -0.139   2.011   4.272
  493   3HMA  HEC  93          3HMA      HEC  93  -1.117   2.808   3.006
  494   1HAA  HEC  93          1HAA      HEC  93  -2.667   2.522   6.388
  495   2HAA  HEC  93          2HAA      HEC  93  -3.428   1.097   7.044
  496   1HBA  HEC  93          1HBA      HEC  93  -5.433   1.847   5.389
  497   2HBA  HEC  93          2HBA      HEC  93  -4.654   3.414   5.543
  498   1HMB  HEC  93          1HMB      HEC  93   0.484   0.735  -0.022
  499   2HMB  HEC  93          2HMB      HEC  93   1.421  -0.531  -0.781
  500   3HMB  HEC  93          3HMB      HEC  93   0.012   0.158  -1.608
  501    HAB  HEC  93           HAB      HEC  93  -0.292  -4.119  -1.912
  502   1HBB  HEC  93          1HBB      HEC  93   1.759  -3.931  -0.555
  503   2HBB  HEC  93          2HBB      HEC  93   2.033  -3.903  -2.311
  504   3HBB  HEC  93          3HBB      HEC  93   2.156  -2.420  -1.372
  505   1HMC  HEC  93          1HMC      HEC  93  -2.569  -7.212  -0.853
  506   2HMC  HEC  93          2HMC      HEC  93  -4.156  -7.979  -0.855
  507   3HMC  HEC  93          3HMC      HEC  93  -3.905  -6.486  -1.776
  508    HAC  HEC  93           HAC      HEC  93  -7.061  -7.116   1.622
  509   1HBC  HEC  93          1HBC      HEC  93  -6.494  -9.492   1.088
  510   2HBC  HEC  93          2HBC      HEC  93  -4.786  -9.010   1.006
  511   3HBC  HEC  93          3HBC      HEC  93  -5.713  -8.783   2.502
  512   1HMD  HEC  93          1HMD      HEC  93  -8.648  -4.914   4.394
  513   2HMD  HEC  93          2HMD      HEC  93  -7.735  -5.453   5.822
  514   3HMD  HEC  93          3HMD      HEC  93  -8.840  -4.072   5.928
  515   1HAD  HEC  93          1HAD      HEC  93  -8.167  -2.219   6.998
  516   2HAD  HEC  93          2HAD      HEC  93  -6.798  -1.163   7.268
  517   1HBD  HEC  93          1HBD      HEC  93  -5.483  -3.003   8.154
  518   2HBD  HEC  93          2HBD      HEC  93  -6.782  -4.155   7.812
  Start of MODEL   27
    1   1H    VAL  22          H1        VAL  22  12.415  -0.286 -10.460
    2   2H    VAL  22          H2        VAL  22  12.533  -0.345  -8.833
    3   3H    VAL  22          H3        VAL  22  13.147  -1.597  -9.748
    4    HA   VAL  22           HA       VAL  22  10.968  -2.211 -10.433
    5    HB   VAL  22           HB       VAL  22  11.271  -1.746  -7.429
    6   1HG1  VAL  22          1HG1      VAL  22   9.461  -3.631  -7.383
    7   2HG1  VAL  22          2HG1      VAL  22   8.961  -1.937  -7.539
    8   3HG1  VAL  22          3HG1      VAL  22   8.983  -3.019  -8.960
    9   1HG2  VAL  22          1HG2      VAL  22  11.398  -4.313  -9.061
   10   2HG2  VAL  22          2HG2      VAL  22  12.826  -3.425  -8.470
   11   3HG2  VAL  22          3HG2      VAL  22  11.669  -4.124  -7.317
   12    H    ASP  23           H        ASP  23   8.871  -1.549 -10.891
   13    HA   ASP  23           HA       ASP  23   8.285   1.276 -10.734
   14   1HB   ASP  23          2HB       ASP  23   6.929  -1.220 -11.787
   15   2HB   ASP  23          3HB       ASP  23   6.028   0.306 -11.667
   16    H    ALA  24           H        ALA  24   6.377   2.141  -9.740
   17    HA   ALA  24           HA       ALA  24   5.765   0.884  -7.091
   18   1HB   ALA  24          1HB       ALA  24   5.417   3.715  -8.162
   19   2HB   ALA  24          2HB       ALA  24   4.862   3.119  -6.582
   20   3HB   ALA  24          3HB       ALA  24   6.597   3.146  -6.964
   21    H    GLU  25           H        GLU  25   4.038   2.781  -9.632
   22    HA   GLU  25           HA       GLU  25   1.464   2.005  -8.935
   23   1HB   GLU  25          2HB       GLU  25   0.928   2.463 -11.371
   24   2HB   GLU  25          3HB       GLU  25   1.589   3.790 -10.418
   25   1HG   GLU  25          2HG       GLU  25   3.689   3.717 -11.459
   26   2HG   GLU  25          3HG       GLU  25   3.429   2.089 -12.113
   27    H    ALA  26           H        ALA  26   3.739   0.327 -11.161
   28    HA   ALA  26           HA       ALA  26   1.991  -1.679 -12.053
   29   1HB   ALA  26          1HB       ALA  26   4.940  -2.043 -11.467
   30   2HB   ALA  26          2HB       ALA  26   3.960  -2.950 -12.626
   31   3HB   ALA  26          3HB       ALA  26   4.310  -1.233 -12.927
   32    H    VAL  27           H        VAL  27   4.006  -1.559  -9.085
   33    HA   VAL  27           HA       VAL  27   3.423  -4.269  -8.257
   34    HB   VAL  27           HB       VAL  27   4.402  -1.804  -6.768
   35   1HG1  VAL  27          1HG1      VAL  27   4.993  -3.345  -4.923
   36   2HG1  VAL  27          2HG1      VAL  27   3.243  -3.358  -5.160
   37   3HG1  VAL  27          3HG1      VAL  27   4.231  -4.678  -5.799
   38   1HG2  VAL  27          1HG2      VAL  27   6.552  -2.939  -6.864
   39   2HG2  VAL  27          2HG2      VAL  27   5.804  -4.351  -7.664
   40   3HG2  VAL  27          3HG2      VAL  27   5.907  -2.811  -8.509
   41    H    VAL  28           H        VAL  28   2.129  -1.032  -7.340
   42    HA   VAL  28           HA       VAL  28   0.152  -2.004  -5.596
   43    HB   VAL  28           HB       VAL  28   0.328   0.469  -7.323
   44   1HG1  VAL  28          1HG1      VAL  28  -1.761   1.114  -6.875
   45   2HG1  VAL  28          2HG1      VAL  28  -2.103  -0.398  -6.031
   46   3HG1  VAL  28          3HG1      VAL  28  -1.468   0.955  -5.135
   47   1HG2  VAL  28          1HG2      VAL  28   1.746  -0.285  -5.124
   48   2HG2  VAL  28          2HG2      VAL  28   1.437   1.396  -5.554
   49   3HG2  VAL  28          3HG2      VAL  28   0.452   0.570  -4.325
   50    H    GLN  29           H        GLN  29  -0.059  -1.437  -9.046
   51    HA   GLN  29           HA       GLN  29  -2.640  -2.175  -9.622
   52   1HB   GLN  29          2HB       GLN  29  -0.103  -2.340 -11.187
   53   2HB   GLN  29          3HB       GLN  29  -1.611  -2.960 -11.843
   54   1HG   GLN  29          2HG       GLN  29  -1.369  -0.118 -10.730
   55   2HG   GLN  29          3HG       GLN  29  -0.977  -0.526 -12.401
   56   1HE2  GLN  29          1HE2      GLN  29  -3.579   0.192 -10.186
   57   2HE2  GLN  29          2HE2      GLN  29  -4.860  -0.058 -11.344
   58    H    GLN  30           H        GLN  30  -0.011  -4.314  -8.591
   59    HA   GLN  30           HA       GLN  30  -1.879  -6.579  -8.678
   60   1HB   GLN  30          2HB       GLN  30   0.630  -6.304 -10.313
   61   2HB   GLN  30          3HB       GLN  30   0.402  -7.873  -9.558
   62   1HG   GLN  30          2HG       GLN  30  -2.082  -6.942 -10.776
   63   2HG   GLN  30          3HG       GLN  30  -0.741  -7.032 -11.919
   64   1HE2  GLN  30          1HE2      GLN  30  -2.194  -8.964  -9.200
   65   2HE2  GLN  30          2HE2      GLN  30  -1.967 -10.509 -10.004
   66    H    LYS  31           H        LYS  31  -1.599  -5.445  -6.469
   67    HA   LYS  31           HA       LYS  31  -0.748  -7.461  -4.742
   68   1HB   LYS  31          2HB       LYS  31   1.324  -5.384  -5.253
   69   2HB   LYS  31          3HB       LYS  31   1.079  -5.805  -3.578
   70   1HG   LYS  31          2HG       LYS  31   2.234  -7.723  -3.725
   71   2HG   LYS  31          3HG       LYS  31   1.311  -8.250  -5.123
   72   1HD   LYS  31          2HD       LYS  31   2.827  -6.421  -6.387
   73   2HD   LYS  31          3HD       LYS  31   3.923  -6.717  -5.028
   74   1HE   LYS  31          2HE       LYS  31   2.754  -8.959  -6.752
   75   2HE   LYS  31          3HE       LYS  31   4.168  -8.032  -7.258
   76   1HZ   LYS  31          1HZ       LYS  31   4.109  -9.432  -4.680
   77   2HZ   LYS  31          2HZ       LYS  31   4.737 -10.065  -6.079
   78   3HZ   LYS  31          3HZ       LYS  31   5.373  -8.701  -5.441
   79    H    CYS  32           H        CYS  32  -1.394  -3.941  -5.172
   80    HA   CYS  32           HA       CYS  32  -2.581  -3.934  -2.434
   81   1HB   CYS  32          2HB       CYS  32  -2.162  -1.507  -4.131
   82   2HB   CYS  32          3HB       CYS  32  -2.402  -1.644  -2.389
   83    H    ILE  33           H        ILE  33  -3.325  -2.884  -5.748
   84    HA   ILE  33           HA       ILE  33  -5.958  -2.117  -5.176
   85    HB   ILE  33           HB       ILE  33  -6.392  -2.242  -7.536
   86   1HG1  ILE  33          2HG1      ILE  33  -4.345  -2.999  -8.972
   87   2HG1  ILE  33          3HG1      ILE  33  -4.123  -4.173  -7.663
   88   1HG2  ILE  33          1HG2      ILE  33  -3.529  -1.341  -7.453
   89   2HG2  ILE  33          2HG2      ILE  33  -4.925  -0.563  -8.178
   90   3HG2  ILE  33          3HG2      ILE  33  -4.717  -0.530  -6.421
   91   1HD1  ILE  33          1HD1      ILE  33  -5.430  -5.048  -9.538
   92   2HD1  ILE  33          2HD1      ILE  33  -6.564  -4.854  -8.187
   93   3HD1  ILE  33          3HD1      ILE  33  -6.513  -3.649  -9.495
   94    H    SER  34           H        SER  34  -4.660  -5.332  -5.656
   95    HA   SER  34           HA       SER  34  -6.697  -7.009  -6.179
   96   1HB   SER  34          2HB       SER  34  -4.811  -7.275  -3.806
   97   2HB   SER  34          3HB       SER  34  -5.467  -8.574  -4.817
   98    HG   SER  34           HG       SER  34  -4.271  -7.675  -6.566
   99    H    CYS  35           H        CYS  35  -6.327  -5.072  -3.205
  100    HA   CYS  35           HA       CYS  35  -9.096  -5.908  -2.419
  101   1HB   CYS  35          2HB       CYS  35  -6.956  -4.933  -0.519
  102   2HB   CYS  35          3HB       CYS  35  -8.520  -5.671  -0.129
  103    H    HIS  36           HN       HIS  36  -6.632  -3.293  -2.379
  104    HA   HIS  36           HA       HIS  36  -8.457  -1.294  -1.417
  105   1HB   HIS  36          2HB       HIS  36  -5.678  -1.231  -2.660
  106   2HB   HIS  36          3HB       HIS  36  -6.523   0.208  -2.109
  107    HD1  HIS  36           HD1      HIS  36  -7.505  -0.104   0.578
  108    HD2  HIS  36           HD2      HIS  36  -4.147  -2.258  -0.716
  109    HE1  HIS  36           1HE      HIS  36  -6.316  -0.851   2.672
  110    H    GLY  37           H        GLY  37  -8.273  -2.703  -4.515
  111   1HA   GLY  37          1HA       GLY  37  -9.796  -2.322  -6.188
  112   2HA   GLY  37          2HA       GLY  37 -10.176  -0.704  -5.561
  113    H    GLY  38           H        GLY  38  -9.491  -1.452  -8.315
  114   1HA   GLY  38          1HA       GLY  38  -6.969  -0.999  -9.302
  115   2HA   GLY  38          2HA       GLY  38  -8.441  -0.391 -10.050
  116    H    ASP  39           H        ASP  39  -9.218   1.412  -8.016
  117    HA   ASP  39           HA       ASP  39  -7.422   3.660  -8.683
  118   1HB   ASP  39          2HB       ASP  39 -10.352   3.372  -7.992
  119   2HB   ASP  39          3HB       ASP  39  -9.524   4.933  -7.876
  120    H    LEU  40           H        LEU  40  -7.678   1.549  -5.950
  121    HA   LEU  40           HA       LEU  40  -6.892   1.705  -3.945
  122   1HB   LEU  40          2HB       LEU  40  -5.751   4.465  -4.449
  123   2HB   LEU  40          3HB       LEU  40  -5.297   3.241  -3.284
  124    HG   LEU  40           HG       LEU  40  -4.729   1.758  -5.423
  125   1HD1  LEU  40          1HD1      LEU  40  -3.584   3.336  -7.129
  126   2HD1  LEU  40          2HD1      LEU  40  -5.309   3.159  -7.279
  127   3HD1  LEU  40          3HD1      LEU  40  -4.651   4.607  -6.492
  128   1HD2  LEU  40          1HD2      LEU  40  -3.155   3.999  -4.115
  129   2HD2  LEU  40          2HD2      LEU  40  -3.103   2.248  -3.801
  130   3HD2  LEU  40          3HD2      LEU  40  -2.416   2.914  -5.294
  131    H    THR  41           H        THR  41  -9.482   2.916  -4.821
  132    HA   THR  41           HA       THR  41 -10.166   5.100  -3.022
  133    HB   THR  41           HB       THR  41 -12.415   4.537  -4.327
  134    HG1  THR  41           1HG      THR  41 -11.833   3.516  -6.344
  135   1HG2  THR  41          1HG2      THR  41 -11.128