*HEADER    PROTEIN BINDING                         30-JAN-06   2DDI              
*TITLE     NMR STRUCTURE OF THE SECOND KUNITZ DOMAIN OF HUMAN WFIKKN1            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: WAP, FOLLISTATIN/KAZAL, IMMUNOGLOBULIN, KUNITZ             
*COMPND   3 AND NETRIN DOMAIN CONTAINING 1;                                      
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 FRAGMENT: SECOND KUNITZ DOMAIN;                                      
*COMPND   6 SYNONYM: WFIKKN1, TRYPSIN INHIBITOR;                                 
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 GENE: WFIKKN1;                                                       
*SOURCE   5 EXPRESSION_SYSTEM: PICHIA PASTORIS;                                  
*SOURCE   6 EXPRESSION_SYSTEM_CELL_LINE: GS115 (HIS4);                           
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PPICZALFAA                                
*KEYWDS    KUNITZ DOMAIN                                                         
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    E.LIEPINSH, G.OTTING                                                  
*REVDAT   1   19-DEC-06 2DDI    0                                                

 10 CYSS SG     60 CYSS SG      2.10  5.00E+00 #       SS constr
 10 CYSS SG     60 CYSS CB      3.10  5.00E+00 #       SS constr
 10 CYSS CB     60 CYSS SG      3.10  5.00E+00 #       SS constr
 19 CYSS SG     43 CYSS SG      2.10  5.00E+00 #       SS constr
 19 CYSS SG     43 CYSS CB      3.10  5.00E+00 #       SS constr
 19 CYSS CB     43 CYSS SG      3.10  5.00E+00 #       SS constr
 35 CYSS SG     56 CYSS SG      2.10  5.00E+00 #       SS constr
 35 CYSS SG     56 CYSS CB      3.10  5.00E+00 #       SS constr
 35 CYSS CB     56 CYSS SG      3.10  5.00E+00 #       SS constr
  3 GLU- HN      3 GLU- HB2     4.14                
  3 GLU- HN      3 GLU- HB3     4.14                
  3 GLU- HN      3 GLU- QB      3.90                
  3 GLU- HN      3 GLU- HG3     5.50                
  5 GLU- HN      5 GLU- HB2     2.96                
  5 GLU- HN      5 GLU- HB3     3.73                
  5 GLU- HN      5 GLU- QG      6.38                
  6 PHE  HN      6 PHE  HB2     3.39                
  6 PHE  HN      6 PHE  HB3     4.04                
  6 PHE  HA      6 PHE  HB2     2.77                
  6 PHE  HA      7 THR  HN      2.65                
  7 THR  HN      7 THR  HB      3.27                
  7 THR  HN      8 ASP- HN      4.42                
  7 THR  HA      8 ASP- HN      2.65                
  7 THR  HB      8 ASP- HN      5.50                
  7 THR  QG2     8 ASP- HN      5.26                
  7 THR  QG2    10 CYSS HN      6.53                
  8 ASP- HN      8 ASP- HB2     3.05                
  8 ASP- HN      8 ASP- HB3     2.99                
  8 ASP- HA      8 ASP- HB2     2.87                
  8 ASP- HA      9 ALA  HN      2.59                
  8 ASP- HA     10 CYSS HN      4.23                
  8 ASP- HB3     9 ALA  HN      4.66                
  9 ALA  HN      9 ALA  QB      3.64                
  9 ALA  HN     10 CYSS HN      3.08                
  9 ALA  HA     11 VAL  HN      5.50                
  9 ALA  HA     12 LEU  HN      3.76                
  9 ALA  HA     12 LEU  HB2     4.66                
  9 ALA  HA     12 LEU  HB3     2.74                
  9 ALA  HA     12 LEU  QD2     3.74                
  9 ALA  QB     12 LEU  HB3     5.07                
  9 ALA  QB     47 GLY  HA2     4.48                
  9 ALA  QB     48 ASN  HN      5.16                
  9 ALA  QB     48 ASN  HA      5.44                
  9 ALA  QB     48 ASN  HB3     5.23                
  9 ALA  QB     50 PHE  QE      7.94                
  9 ALA  QB     50 PHE  HZ      5.10                
 10 CYSS HN     10 CYSS HB3     2.74                
 10 CYSS HN     11 VAL  HN      3.39                
 10 CYSS HN     11 VAL  QQG     7.62                
 10 CYSS HA     10 CYSS HB3     2.68                
 10 CYSS HB3    11 VAL  HN      4.01                
 11 VAL  HN     11 VAL  HB      3.89                
 11 VAL  HN     12 LEU  HN      2.99                
 11 VAL  HN     12 LEU  HB3     4.88                
 11 VAL  QQG    12 LEU  HN      5.70                
 12 LEU  HN     12 LEU  HB2     3.45                
 12 LEU  HN     12 LEU  HB3     2.90                
 12 LEU  HN     12 LEU  QD1     5.47                
 12 LEU  HN     12 LEU  QD2     6.53                
 12 LEU  HN     13 PRO  HD2     5.00                
 12 LEU  HN     48 ASN  HB3     5.28                
 12 LEU  HN     48 ASN  HD21    3.58                
 12 LEU  HA     12 LEU  HB2     2.68                
 12 LEU  HA     12 LEU  HG      3.76                
 12 LEU  HA     12 LEU  QD1     4.08                
 12 LEU  HA     12 LEU  QD2     5.23                
 12 LEU  HA     13 PRO  HG3     4.66                
 12 LEU  HA     13 PRO  HD2     2.87                
 12 LEU  HA     13 PRO  HD3     2.87                
 12 LEU  HB2    13 PRO  HD2     3.42                
 12 LEU  HB2    13 PRO  HD3     3.95                
 12 LEU  HB2    46 ASN  HD21    4.72                
 12 LEU  HG     48 ASN  HB2     3.89                
 12 LEU  HG     48 ASN  HB3     3.64                
 12 LEU  HG     48 ASN  HD21    4.29                
 12 LEU  QD1    13 PRO  HD2     4.20                
 12 LEU  QD1    13 PRO  HD3     4.76                
 12 LEU  QD1    46 ASN  HD21    4.14                
 12 LEU  QD2    13 PRO  HD2     6.53                
 12 LEU  QD2    13 PRO  HD3     6.53                
 12 LEU  QD2    46 ASN  HB2     4.42                
 12 LEU  QD2    46 ASN  HB3     4.36                
 12 LEU  QD2    46 ASN  HD21    4.36                
 12 LEU  QD2    47 GLY  HN      4.42                
 12 LEU  QD2    48 ASN  HN      5.78                
 12 LEU  QD2    48 ASN  HD21    6.53                
 13 PRO  HA     14 ALA  HN      2.56                
 13 PRO  HB2    14 ALA  HN      3.33                
 13 PRO  HB3    14 ALA  HN      3.17                
 14 ALA  HN     14 ALA  QB      3.58                
 14 ALA  HA     15 VAL  HN      2.56                
 14 ALA  QB     27 ALA  QB      5.45                
 14 ALA  QB     36 HIS+ HE1     4.79                
 14 ALA  QB     38 PHE  HB2     5.57                
 14 ALA  QB     38 PHE  HB3     5.54                
 14 ALA  QB     38 PHE  QD      7.04                
 14 ALA  QB     38 PHE  QE      7.91                
 14 ALA  QB     38 PHE  HZ      6.53                
 15 VAL  HN     15 VAL  HB      3.05                
 15 VAL  HA     16 GLN  HN      2.40                
 15 VAL  HB     16 GLN  HN      3.89                
 15 VAL  HB     17 GLY  HN      5.16                
 15 VAL  HB     45 GLY  HA1     5.50                
 15 VAL  QG1    16 GLN  HN      5.35                
 15 VAL  QG1    17 GLY  HN      3.80                
 15 VAL  QG1    17 GLY  HA1     5.19                
 15 VAL  QG1    40 TYR  HE2     6.40                
 15 VAL  QG1    45 GLY  HA1     4.73                
 15 VAL  QG1    45 GLY  HA2     4.57                
 15 VAL  QG1    46 ASN  HN      6.53                
 15 VAL  QG2    16 GLN  HN      5.01                
 15 VAL  QG2    17 GLY  HN      6.03                
 15 VAL  QG2    17 GLY  HA1     6.53                
 15 VAL  QG2    46 ASN  HN      5.78                
 15 VAL  QG2    46 ASN  HD21    4.48                
 16 GLN  HN     16 GLN  HB2     3.05                
 16 GLN  HN     16 GLN  HB3     3.83                
 16 GLN  HN     16 GLN  QG      6.00                
 16 GLN  HN     17 GLY  HN      2.93                
 16 GLN  HA     16 GLN  HE21    5.50                
 16 GLN  HA     38 PHE  QD      6.35                
 16 GLN  HA     38 PHE  QE      5.79                
 16 GLN  HA     40 TYR  HD2     3.55                
 16 GLN  HA     41 GLY  HN      3.42                
 16 GLN  HB2    16 GLN  HE22    4.42                
 16 GLN  HB2    17 GLY  HN      3.21                
 16 GLN  HB3    16 GLN  HE21    5.50                
 16 GLN  HB3    17 GLY  HN      4.42                
 16 GLN  QG     17 GLY  HN      6.38                
 16 GLN  HE22   39 VAL  HB      3.73                
 17 GLY  HN     17 GLY  HA1     2.62                
 17 GLY  HN     17 GLY  HA2     2.93                
 17 GLY  HN     18 PRO  HD2     5.44                
 17 GLY  HN     18 PRO  HD3     5.50                
 17 GLY  HA1    18 PRO  HD2     3.17                
 17 GLY  HA1    18 PRO  HD3     3.39                
 17 GLY  HA2    18 PRO  HD2     3.08                
 17 GLY  HA2    18 PRO  HD3     3.17                
 18 PRO  HB3    19 CYSS HN      4.63                
 18 PRO  HD2    19 CYSS HN      5.50                
 18 PRO  HD2    44 GLU- HB3     5.50                
 18 PRO  HD3    19 CYSS HN      5.19                
 18 PRO  HD3    44 GLU- HB3     4.48                
 19 CYSS HN     19 CYSS HB2     3.21                
 19 CYSS HN     19 CYSS HB3     3.64                
 19 CYSS HA     19 CYSS HB3     2.77                
 19 CYSS HA     20 ARG+ HN      2.68                
 19 CYSS HB2    20 ARG+ HN      3.24                
 19 CYSS HB2    43 CYSS HN      4.11                
 19 CYSS HB3    20 ARG+ HN      2.71                
 19 CYSS HB3    43 CYSS HN      4.51                
 20 ARG+ HN     20 ARG+ HB2     3.21                
 20 ARG+ HN     20 ARG+ HB3     3.79                
 20 ARG+ HN     20 ARG+ QG      5.01                
 20 ARG+ HA     20 ARG+ HB3     2.74                
 20 ARG+ HA     20 ARG+ HE      4.54                
 20 ARG+ HA     21 GLY  HN      3.36                
 20 ARG+ HA     22 TRP  HZ2     4.82                
 20 ARG+ HB2    20 ARG+ HE      5.50                
 20 ARG+ HB2    21 GLY  HN      3.86                
 20 ARG+ HB2    22 TRP  HZ2     5.50                
 20 ARG+ HB3    20 ARG+ HE      4.88                
 20 ARG+ HB3    21 GLY  HN      4.11                
 20 ARG+ HB3    22 TRP  HZ2     4.04                
 20 ARG+ QG     21 GLY  HN      6.00                
 20 ARG+ QG     22 TRP  HZ2     4.80                
 20 ARG+ QD     22 TRP  HZ2     5.60                
 21 GLY  HN     21 GLY  HA2     2.74                
 21 GLY  HA2    22 TRP  HN      3.08                
 22 TRP  HN     22 TRP  HB2     3.17                
 22 TRP  HN     23 GLU- HN      3.92                
 22 TRP  HA     22 TRP  HB2     2.99                
 22 TRP  HA     22 TRP  HD1     4.82                
 22 TRP  HA     22 TRP  HE3     2.87                
 22 TRP  HA     23 GLU- HN      2.46                
 22 TRP  HA     39 VAL  QG1     3.95                
 22 TRP  HA     41 GLY  HA1     3.36                
 22 TRP  HA     41 GLY  HA2     4.47                
 22 TRP  HB2    22 TRP  HD1     3.36                
 22 TRP  HB2    23 GLU- HN      4.66                
 22 TRP  HB2    39 VAL  QG1     4.45                
 22 TRP  HB3    22 TRP  HD1     3.79                
 22 TRP  HB3    22 TRP  HE3     3.73                
 22 TRP  HB3    23 GLU- HN      3.61                
 22 TRP  HB3    39 VAL  QG1     3.89                
 22 TRP  HD1    39 VAL  QG1     5.29                
 22 TRP  HD1    39 VAL  QG2     6.53                
 22 TRP  HE3    23 GLU- HN      4.38                
 22 TRP  HE3    39 VAL  QG1     3.77                
 22 TRP  HE3    41 GLY  HA1     3.36                
 22 TRP  HE3    41 GLY  HA2     4.72                
 22 TRP  HZ3    39 VAL  QG1     5.10                
 22 TRP  HZ3    41 GLY  HA1     4.32                
 22 TRP  HZ3    41 GLY  HA2     4.42                
 23 GLU- HN     23 GLU- HB2     3.42                
 23 GLU- HN     23 GLU- HB3     3.08                
 23 GLU- HN     23 GLU- HG2     4.69                
 23 GLU- HN     23 GLU- HG3     4.45                
 23 GLU- HN     39 VAL  QG1     4.70                
 23 GLU- HN     40 TYR  HN      3.64                
 23 GLU- HA     23 GLU- HB2     2.80                
 23 GLU- HA     23 GLU- HB3     3.02                
 23 GLU- HA     24 PRO  HG2     4.82                
 23 GLU- HA     24 PRO  HG3     5.50                
 23 GLU- HA     24 PRO  HD2     2.65                
 23 GLU- HA     24 PRO  HD3     2.77                
 23 GLU- HB2    40 TYR  HE1     4.94                
 23 GLU- HB3    40 TYR  HB3     4.26                
 23 GLU- HB3    40 TYR  HE1     3.95                
 23 GLU- HG2    40 TYR  HE1     4.66                
 23 GLU- HG3    40 TYR  HE1     5.50                
 24 PRO  HA     25 ARG+ HN      2.40                
 24 PRO  HA     38 PHE  HN      3.76                
 24 PRO  HA     39 VAL  HA      3.14              
 24 PRO  HA     39 VAL  QG2     5.23                
 24 PRO  HA     40 TYR  HN      3.67                
 24 PRO  HB2    25 ARG+ HN      3.98                
 24 PRO  HB3    25 ARG+ HN      4.23                
 24 PRO  HB3    39 VAL  QG2     6.53                
 24 PRO  HD2    25 ARG+ HN      5.50                
 25 ARG+ HN     25 ARG+ HB2     3.79                
 25 ARG+ HN     25 ARG+ HB3     3.98                
 25 ARG+ HN     25 ARG+ HG3     5.50                
 25 ARG+ HN     38 PHE  HN      3.05                
 25 ARG+ HN     39 VAL  HA      3.83                
 25 ARG+ HA     25 ARG+ HB3     2.83                
 25 ARG+ HA     25 ARG+ HG2     3.58                
 25 ARG+ HA     25 ARG+ HD2     3.76                
 25 ARG+ HA     25 ARG+ HD3     3.14                
 25 ARG+ HA     26 TRP  HN      2.68                
 25 ARG+ HA     26 TRP  HD1     3.52                
 25 ARG+ HB2    26 TRP  HN      3.42                
 25 ARG+ HB3    25 ARG+ HD2     3.86                
 25 ARG+ HB3    25 ARG+ HD3     3.98                
 25 ARG+ HB3    26 TRP  HN      2.80                
 25 ARG+ HB3    38 PHE  QE      7.62                
 25 ARG+ HB3    50 PHE  HN      4.23                
 25 ARG+ HG2    38 PHE  QD      7.13                
 25 ARG+ HG2    40 TYR  HE1     4.48                
 25 ARG+ HG3    26 TRP  HN      5.50                
 25 ARG+ HG3    38 PHE  QD      7.03                
 25 ARG+ HG3    40 TYR  HE1     3.92                
 25 ARG+ HD2    38 PHE  QD      7.25                
 25 ARG+ HD3    26 TRP  HN      5.50                
 25 ARG+ HD3    38 PHE  QD      7.44                
 25 ARG+ HD3    51 HIS+ HA      3.76                
 26 TRP  HN     26 TRP  HB2     3.11                
 26 TRP  HN     26 TRP  HB3     3.61                
 26 TRP  HN     26 TRP  HD1     3.86                
 26 TRP  HN     38 PHE  QE      7.62                
 26 TRP  HN     50 PHE  HN      3.05                
 26 TRP  HA     26 TRP  HB3     2.87                
 26 TRP  HA     26 TRP  HD1     4.63                
 26 TRP  HA     27 ALA  HN      2.56                
 26 TRP  HA     37 PRO  HA      3.64                
 26 TRP  HA     38 PHE  HN      3.61                
 26 TRP  HA     38 PHE  QD      5.70                
 26 TRP  HB2    26 TRP  HD1     3.70                
 26 TRP  HB2    26 TRP  HE3     4.07                
 26 TRP  HB2    27 ALA  HN      4.76                
 26 TRP  HB2    50 PHE  HN      4.54                
 26 TRP  HB3    26 TRP  HE3     3.83                
 26 TRP  HB3    27 ALA  HN      3.33                
 26 TRP  HB3    50 PHE  HN      5.44                
 26 TRP  HD1    51 HIS+ HA      4.91                
 26 TRP  HD1    52 SER  HN      4.72                
 26 TRP  HD1    52 SER  HA      3.52                
 26 TRP  HE3    36 HIS+ HN      3.83                
 26 TRP  HE3    36 HIS+ HA      3.55                
 26 TRP  HE3    37 PRO  HD3     4.35                
 26 TRP  HE3    50 PHE  HB2     5.47                
 26 TRP  HE3    50 PHE  HB3     5.87                
 26 TRP  HE3    50 PHE  QB      5.55                
 26 TRP  HE3    53 ARG+ HA      3.61                
 26 TRP  HE3    53 ARG+ HB2     5.50                
 26 TRP  HE3    53 ARG+ HB3     5.50                
 26 TRP  HE3    53 ARG+ QB      5.21                
 26 TRP  HE3    53 ARG+ HG2     5.50                
 26 TRP  HE3    53 ARG+ HD3     3.30                
 26 TRP  HE1    52 SER  HA      3.61                
 26 TRP  HE1    52 SER  HB2     5.50                
 26 TRP  HE1    52 SER  HB3     5.50                
 26 TRP  HE1    53 ARG+ HN      4.42                
 26 TRP  HE1    53 ARG+ QB      6.38                
 26 TRP  HZ3    36 HIS+ HA      3.14                
 26 TRP  HZ3    37 PRO  HG3     4.01                
 26 TRP  HZ3    37 PRO  HD2     4.26                
 26 TRP  HZ3    37 PRO  HD3     3.70                
 26 TRP  HZ3    53 ARG+ HA      5.07                
 26 TRP  HZ3    53 ARG+ HB2     5.50                
 26 TRP  HZ3    53 ARG+ HB3     5.50                
 26 TRP  HZ3    53 ARG+ QB      5.20                
 26 TRP  HZ3    53 ARG+ HG2     5.50                
 26 TRP  HZ3    53 ARG+ HD3     3.36                
 26 TRP  HZ2    53 ARG+ QB      5.51                
 26 TRP  HH2    36 HIS+ HA      4.63                
 26 TRP  HH2    53 ARG+ QB      5.88                
 26 TRP  HH2    53 ARG+ HD2     4.38                
 26 TRP  HH2    53 ARG+ HD3     4.20                
 27 ALA  HN     36 HIS+ HN      3.11                
 27 ALA  HN     37 PRO  HA      3.79                
 27 ALA  HN     38 PHE  QD      6.75                
 27 ALA  HA     28 TYR  HN      2.59                
 27 ALA  HA     38 PHE  QD      7.62                
 27 ALA  HA     38 PHE  QE      7.62                
 27 ALA  HA     48 ASN  HD21    5.50                
 27 ALA  QB     28 TYR  HN      4.11                
 27 ALA  QB     36 HIS+ HN      6.53                
 27 ALA  QB     36 HIS+ HD2     6.53                
 27 ALA  QB     36 HIS+ HE1     6.06                
 27 ALA  QB     38 PHE  QD      6.51                
 27 ALA  QB     38 PHE  QE      6.29                
 27 ALA  QB     38 PHE  HZ      5.69                
 27 ALA  QB     48 ASN  HD21    4.26                
 28 TYR  HN     28 TYR  HB2     2.90                
 28 TYR  HN     28 TYR  HB3     2.90                
 28 TYR  HN     48 ASN  HD22    3.11                
 28 TYR  HA     28 TYR  HD1     4.45                
 28 TYR  HA     28 TYR  HD2     4.72                
 28 TYR  HA     29 SER  HN      2.52                
 28 TYR  HA     35 CYSS HA      2.71                
 28 TYR  HA     36 HIS+ HN      3.48                
 28 TYR  HA     36 HIS+ HD2     5.50                
 28 TYR  HB2    28 TYR  HD1     3.73                
 28 TYR  HB2    48 ASN  HD22    4.00                
 28 TYR  HB3    28 TYR  HD1     3.33                
 28 TYR  HB3    48 ASN  HD22    3.73                
 28 TYR  HD1    30 PRO  HG3     5.19                
 28 TYR  HD1    30 PRO  QD      6.28                
 28 TYR  HE1    30 PRO  HA      3.21                
 28 TYR  HE1    30 PRO  HB3     5.38                
 28 TYR  HE1    30 PRO  HG3     4.35                
 28 TYR  HE2    30 PRO  HA      5.50                
 28 TYR  HE2    33 GLN  HA      5.19                
 28 TYR  HE2    34 GLN  HA      4.14                
 29 SER  HN     29 SER  HB2     2.90                
 29 SER  HN     29 SER  HB3     3.73                
 29 SER  HN     34 GLN  HN      3.42                
 29 SER  HN     35 CYSS HA      3.17                
 29 SER  HA     29 SER  HB3     3.02                
 29 SER  HA     31 LEU  HN      3.73                
 29 SER  HA     36 HIS+ HD2     5.50                
 29 SER  HB2    32 LEU  HN      3.42                
 29 SER  HB2    32 LEU  HB2     3.30                
 29 SER  HB2    32 LEU  HB3     3.58                
 29 SER  HB2    32 LEU  QD1     5.54                
 29 SER  HB2    34 GLN  HN      5.47                
 29 SER  HB2    36 HIS+ HD2     3.98                
 29 SER  HB3    32 LEU  HB2     3.89                
 29 SER  HB3    32 LEU  HB3     3.98                
 29 SER  HB3    32 LEU  QD1     5.75                
 29 SER  HB3    36 HIS+ HD2     3.30                
 30 PRO  HA     33 GLN  HA      4.48                
 30 PRO  HA     34 GLN  HN      4.38                
 30 PRO  HB2    31 LEU  HN      3.33                
 30 PRO  HB3    31 LEU  HN      4.57                
 30 PRO  HG2    31 LEU  HN      4.45                
 31 LEU  HN     31 LEU  HB2     3.98                
 31 LEU  HN     31 LEU  HB3     3.48                
 31 LEU  HN     31 LEU  HG      3.21                
 31 LEU  HN     31 LEU  QD1     6.37                
 31 LEU  HN     31 LEU  QD2     6.53                
 31 LEU  HN     33 GLN  HN      3.76                
 31 LEU  HA     31 LEU  HB2     2.99                
 31 LEU  HA     31 LEU  HB3     2.77                
 31 LEU  HA     31 LEU  HG      2.59                
 31 LEU  HA     31 LEU  QD1     4.33                
 31 LEU  HA     31 LEU  QD2     4.02                
 31 LEU  HA     32 LEU  HN      3.42                
 31 LEU  QD1    32 LEU  HN      6.53                
 31 LEU  QD2    32 LEU  HN      6.53                
 32 LEU  HN     32 LEU  HB2     3.08                
 32 LEU  HN     32 LEU  HB3     3.58                
 32 LEU  HN     32 LEU  HG      3.42                
 32 LEU  HN     32 LEU  QD1     5.66                
 32 LEU  HN     32 LEU  QD2     5.32                
 32 LEU  HN     33 GLN  HN      2.40                
 32 LEU  HN     33 GLN  HA      3.98                
 32 LEU  HA     32 LEU  HB3     2.65                
 32 LEU  HA     32 LEU  HG      2.71                
 32 LEU  HA     32 LEU  QD1     5.54                
 32 LEU  HA     32 LEU  QD2     3.95                
 32 LEU  HA     33 GLN  HN      3.39                
 32 LEU  HB2    33 GLN  HN      3.36                
 32 LEU  HB2    34 GLN  HN      3.36                
 32 LEU  HB3    33 GLN  HN      4.04                
 32 LEU  HB3    34 GLN  HN      3.45                
 32 LEU  QD1    36 HIS+ HD2     5.75                
 33 GLN  HN     33 GLN  HA      2.40                
 33 GLN  HN     33 GLN  HB2     3.08                
 33 GLN  HN     33 GLN  HB3     3.64                
 33 GLN  HN     33 GLN  HG2     4.17                
 33 GLN  HN     33 GLN  HG3     5.50                
 33 GLN  HN     34 GLN  HN      2.93                
 33 GLN  HA     33 GLN  HB3     3.05                
 33 GLN  HA     33 GLN  HG2     3.30                
 33 GLN  HA     34 GLN  HN      3.14                
 34 GLN  HN     34 GLN  HB2     3.42                
 34 GLN  HN     34 GLN  HG2     5.50                
 34 GLN  HN     34 GLN  HG3     5.50                
 34 GLN  HA     34 GLN  HB3     3.05                
 34 GLN  HA     35 CYSS HN      2.56                
 34 GLN  HB2    35 CYSS HN      5.50                
 34 GLN  HB3    35 CYSS HN      3.17                
 34 GLN  HG2    35 CYSS HN      5.50                
 34 GLN  HG3    35 CYSS HN      5.50                
 35 CYSS HN     35 CYSS HB2     2.83                
 35 CYSS HN     35 CYSS HB3     3.67                
 35 CYSS HA     36 HIS+ HN      2.59                
 35 CYSS HA     36 HIS+ HD2     4.69                
 35 CYSS HB2    36 HIS+ HN      3.79                
 35 CYSS HB3    36 HIS+ HN      3.11                
 36 HIS+ HN     36 HIS+ HB3     4.07                
 36 HIS+ HN     36 HIS+ HD2     3.67                
 36 HIS+ HA     36 HIS+ HB2     2.80                
 36 HIS+ HA     36 HIS+ HB3     2.71                
 36 HIS+ HA     37 PRO  HD2     3.17                
 36 HIS+ HA     37 PRO  HD3     2.77                
 36 HIS+ HE1    38 PHE  HB2     4.35                
 36 HIS+ HE1    38 PHE  HB3     3.55                
 37 PRO  HA     38 PHE  HN      2.49                
 37 PRO  HA     38 PHE  QD      7.19                
 37 PRO  HB2    38 PHE  HN      3.70                
 37 PRO  HB3    38 PHE  HN      3.36                
 38 PHE  HN     38 PHE  HB3     4.11                
 38 PHE  HA     38 PHE  HB2     2.65                
 38 PHE  HA     38 PHE  HB3     2.59                
 38 PHE  HA     39 VAL  HN      2.68                
 38 PHE  HA     39 VAL  QG2     4.88                
 38 PHE  HB2    39 VAL  HN      2.93                
 38 PHE  HB3    39 VAL  HN      4.48                
 38 PHE  QD     39 VAL  HN      6.54                
 38 PHE  QD     40 TYR  HB2     6.51                
 38 PHE  QD     40 TYR  HB3     5.73                
 38 PHE  QE     40 TYR  HA      6.20                
 38 PHE  QE     40 TYR  HB2     7.59                
 38 PHE  QE     40 TYR  HB3     7.62                
 38 PHE  QE     40 TYR  HD2     6.82                
 38 PHE  QE     49 ASN  HB2     7.62                
 38 PHE  QE     49 ASN  HB3     7.62                
 38 PHE  QE     50 PHE  HN      7.06                
 38 PHE  HZ     49 ASN  HA      4.35                
 38 PHE  HZ     49 ASN  HB2     4.72                
 38 PHE  HZ     49 ASN  HB3     4.97                
 38 PHE  HZ     49 ASN  QB      4.55                
 39 VAL  HN     39 VAL  HB      2.56                
 39 VAL  HN     39 VAL  QG1     4.79                
 39 VAL  HN     39 VAL  QG2     3.71                
 39 VAL  HA     39 VAL  QG1     3.61                
 39 VAL  HA     39 VAL  QG2     3.61                
 39 VAL  HA     40 TYR  HN      2.59                
 39 VAL  QG1    40 TYR  HN      4.61                
 39 VAL  QG2    40 TYR  HN      5.69                
 40 TYR  HN     40 TYR  HB2     3.48                
 40 TYR  HN     40 TYR  HB3     3.27                
 40 TYR  HA     40 TYR  HB2     2.87                
 40 TYR  HA     40 TYR  HD2     3.27                
 40 TYR  HA     41 GLY  HN      2.96                
 40 TYR  HB2    40 TYR  HD2     3.73                
 40 TYR  HB2    41 GLY  HN      5.50                
 40 TYR  HB3    40 TYR  HD1     3.67                
 40 TYR  HB3    41 GLY  HN      4.57                
 40 TYR  HD1    42 GLY  HA1     4.85                
 40 TYR  HE1    42 GLY  HN      3.92                
 40 TYR  HE1    42 GLY  HA1     2.93                
 40 TYR  HE1    42 GLY  HA2     3.89                
 40 TYR  HE2    42 GLY  HA1     4.72                
 40 TYR  HE2    45 GLY  HA1     3.86                
 40 TYR  HE2    45 GLY  HA2     3.36                
 40 TYR  HD2    41 GLY  HN      4.04                
 40 TYR  HD2    42 GLY  HN      5.50                
 40 TYR  HD2    49 ASN  HD22    5.31                
 41 GLY  HN     41 GLY  HA2     2.90                
 41 GLY  HN     42 GLY  HN      3.39                
 42 GLY  HN     42 GLY  HA1     2.71                
 42 GLY  HN     43 CYSS HN      3.27                
 43 CYSS HA     43 CYSS HB2     2.59                
 43 CYSS HA     43 CYSS HB3     2.71                
 43 CYSS HA     44 GLU- HN      2.77                
 43 CYSS HB2    44 GLU- HN      3.30                
 43 CYSS HB3    44 GLU- HN      5.50                
 44 GLU- HN     44 GLU- HA      2.59                
 44 GLU- HN     44 GLU- HB2     3.76                
 44 GLU- HN     44 GLU- HG2     4.17                
 44 GLU- HN     44 GLU- HG3     4.17                
 44 GLU- HN     44 GLU- QG      3.93                
 44 GLU- HN     45 GLY  HN      5.25                
 44 GLU- HA     44 GLU- HB3     2.80                
 44 GLU- HA     44 GLU- HG2     3.48                
 44 GLU- HA     44 GLU- HG3     3.48                
 44 GLU- HA     45 GLY  HN      3.61                
 44 GLU- HB2    45 GLY  HN      4.20                
 44 GLU- HB3    45 GLY  HN      3.21                
 44 GLU- QG     45 GLY  HN      6.38                
 45 GLY  HA1    46 ASN  HN      3.33                
 45 GLY  HA2    46 ASN  HN      3.14                
 46 ASN  HN     46 ASN  HB2     3.42                
 46 ASN  HN     46 ASN  HB3     4.01                
 46 ASN  HA     46 ASN  HB3     2.74                
 46 ASN  HA     47 GLY  HN      2.93                
 46 ASN  HB2    46 ASN  HD21    3.52                
 46 ASN  HB2    47 GLY  HN      2.83                
 46 ASN  HB3    47 GLY  HN      3.11                
 47 GLY  HN     47 GLY  HA2     2.74                
 48 ASN  HN     48 ASN  HB2     3.08                
 48 ASN  HN     48 ASN  HB3     3.36                
 48 ASN  HA     49 ASN  HN      2.74                
 48 ASN  HB3    48 ASN  HD21    3.17                
 49 ASN  HN     49 ASN  HB2     3.55                
 49 ASN  HN     49 ASN  HB3     3.55                
 49 ASN  HN     49 ASN  QB      3.36                
 49 ASN  HA     50 PHE  HN      2.59                
 49 ASN  HA     50 PHE  QD      7.62                
 49 ASN  HB2    50 PHE  HN      4.85                
 49 ASN  HB3    50 PHE  HN      4.85                
 49 ASN  QB     50 PHE  HN      4.33                
 50 PHE  HN     50 PHE  HB2     3.61                
 50 PHE  HN     50 PHE  HB3     3.61                
 50 PHE  HN     50 PHE  QB      3.28                
 50 PHE  HA     51 HIS+ HN      2.77                
 50 PHE  HB2    51 HIS+ HN      4.20                
 50 PHE  HB2    52 SER  HN      3.48                
 50 PHE  HB3    51 HIS+ HN      4.20                
 50 PHE  HB3    52 SER  HN      3.48                
 50 PHE  QB     51 HIS+ HN      3.79                
 50 PHE  QB     52 SER  HN      3.31                
 50 PHE  QB     55 SER  QB      6.11                
 50 PHE  QB     56 CYSS HA      6.00                
 50 PHE  QD     51 HIS+ HN      7.62                
 50 PHE  QD     55 SER  QB      8.50                
 50 PHE  QD     56 CYSS HA      6.47                
 50 PHE  QD     56 CYSS QB      8.50                
 50 PHE  QD     59 ALA  QB      8.65                
 50 PHE  QE     59 ALA  QB      6.73                
 50 PHE  HZ     59 ALA  QB      4.30                
 51 HIS+ HN     51 HIS+ HB2     3.61                
 51 HIS+ HN     51 HIS+ HB3     3.61                
 51 HIS+ HN     51 HIS+ QB      3.27                
 51 HIS+ HN     51 HIS+ HD2     4.26                
 51 HIS+ HN     52 SER  HN      3.24                
 51 HIS+ HA     51 HIS+ HD2     4.38                
 51 HIS+ HA     52 SER  HN      3.64                
 51 HIS+ HB2    52 SER  HN      4.07                
 51 HIS+ HB3    52 SER  HN      4.07                
 51 HIS+ QB     52 SER  HN      3.88                
 52 SER  HN     53 ARG+ HN      5.04                
 52 SER  HN     55 SER  QB      4.42                
 52 SER  HA     53 ARG+ HN      2.62                
 52 SER  HA     53 ARG+ QB      5.76                
 52 SER  HB2    53 ARG+ HN      3.48                
 52 SER  HB2    54 GLU- HN      4.63                
 52 SER  HB3    53 ARG+ HN      3.48                
 52 SER  HB3    54 GLU- HN      4.63                
 52 SER  QB     53 ARG+ HN      3.19                
 52 SER  QB     54 GLU- HN      3.94                
 53 ARG+ HN     53 ARG+ HB2     2.77                
 53 ARG+ HN     53 ARG+ HB3     2.77                
 53 ARG+ HN     53 ARG+ HG2     4.88                
 53 ARG+ HN     53 ARG+ HG3     5.50                
 53 ARG+ HN     53 ARG+ HD2     5.50                
 53 ARG+ HN     53 ARG+ HD3     5.50                
 53 ARG+ HN     54 GLU- HN      3.42                
 53 ARG+ HA     53 ARG+ QB      2.68                
 53 ARG+ HA     53 ARG+ HG2     3.64                
 53 ARG+ HA     53 ARG+ HG3     3.48                
 53 ARG+ HA     53 ARG+ HD2     4.57                
 53 ARG+ HA     53 ARG+ HD3     3.64                
 53 ARG+ HA     56 CYSS HN      4.04                
 53 ARG+ HA     56 CYSS HB2     3.55                
 53 ARG+ HA     56 CYSS HB3     3.55                
 53 ARG+ HB2    53 ARG+ HD2     4.26                
 53 ARG+ HB2    53 ARG+ HD3     4.23                
 53 ARG+ HB2    54 GLU- HN      3.98                
 53 ARG+ HB3    53 ARG+ HD2     4.26                
 53 ARG+ HB3    53 ARG+ HD3     4.23                
 53 ARG+ HB3    54 GLU- HN      3.98                
 53 ARG+ QB     53 ARG+ HD2     3.64                
 53 ARG+ QB     53 ARG+ HD3     3.62                
 53 ARG+ QB     53 ARG+ HE      6.38                
 53 ARG+ QB     54 GLU- HN      3.44                
 53 ARG+ HG2    54 GLU- HN      5.50                
 54 GLU- HN     54 GLU- HB2     2.99                
 54 GLU- HN     54 GLU- HB3     2.99                
 54 GLU- HN     54 GLU- QB      2.79                
 54 GLU- HN     54 GLU- HG2     4.42                
 54 GLU- HN     54 GLU- HG3     5.50                
 54 GLU- HN     55 SER  HN      3.24                
 54 GLU- HA     54 GLU- QB      2.70                
 54 GLU- HA     54 GLU- HG2     3.42                
 54 GLU- HA     54 GLU- HG3     4.01                
 54 GLU- HA     57 GLU- HN      3.79                
 54 GLU- HB2    55 SER  HN      3.52                
 54 GLU- HB3    55 SER  HN      3.52                
 54 GLU- QB     55 SER  HN      3.33                
 54 GLU- HG2    55 SER  HN      5.50                
 54 GLU- HG3    55 SER  HN      5.50                
 55 SER  HN     56 CYSS HN      3.11                
 55 SER  HA     58 ASP- HN      3.39                
 55 SER  HA     58 ASP- QB      3.83                
 56 CYSS HN     56 CYSS HB2     3.27                
 56 CYSS HN     56 CYSS HB3     3.27                
 56 CYSS HN     56 CYSS QB      2.98                
 56 CYSS HN     57 GLU- HN      3.11                
 56 CYSS HA     56 CYSS QB      2.70                
 56 CYSS HA     59 ALA  HN      3.05                
 56 CYSS HA     59 ALA  QB      4.26                
 56 CYSS HB2    57 GLU- HN      3.48                
 56 CYSS HB3    57 GLU- HN      3.48                
 56 CYSS QB     57 GLU- HN      3.26                
 57 GLU- HN     57 GLU- QB      3.57                
 57 GLU- HN     57 GLU- HG2     4.11                
 57 GLU- HN     57 GLU- HG3     4.11                
 57 GLU- HN     57 GLU- QG      3.66                
 57 GLU- HN     58 ASP- HN      2.99                
 57 GLU- HA     57 GLU- HG2     3.39                
 57 GLU- HA     57 GLU- HG3     3.39                
 57 GLU- HA     57 GLU- QG      3.21                
 57 GLU- HA     60 CYSS HN      3.67                
 57 GLU- HB2    58 ASP- HN      3.95                
 57 GLU- HB3    58 ASP- HN      3.95                
 57 GLU- QB     58 ASP- HN      3.55                
 58 ASP- HN     58 ASP- QB      3.59                
 58 ASP- HN     59 ALA  HN      2.80                
 59 ALA  HN     59 ALA  QB      3.64                
 59 ALA  HN     60 CYSS HN      2.83                
 59 ALA  QB     60 CYSS HN      4.20                
 60 CYSS HN     60 CYSS HB2     2.99                
 60 CYSS HN     60 CYSS HB3     3.67                
 60 CYSS HN     61 PRO  HD2     5.50                
 60 CYSS HA     60 CYSS HB3     2.96                
 60 CYSS HA     61 PRO  HD2     2.93                
 60 CYSS HA     61 PRO  HD3     2.62                
 61 PRO  HA     62 VAL  HN      2.65                
 62 VAL  HN     62 VAL  HB      3.08                
 62 VAL  HN     62 VAL  QG2     4.39                
 62 VAL  HA     63 VAL  HN      2.77                
 62 VAL  HB     63 VAL  HN      3.05                
 62 VAL  QG1    63 VAL  HN      5.04                
 62 VAL  QG2    63 VAL  HN      6.40                
 63 VAL  HN     63 VAL  HB      3.27                
 63 VAL  HA     63 VAL  HB      2.96                
 63 VAL  HA     64 ASP- HN      2.46                
 63 VAL  HB     64 ASP- HN      3.64                
 63 VAL  QG1    64 ASP- HN      5.35                
 63 VAL  QG2    64 ASP- HN      5.32                
 64 ASP- HN     64 ASP- HB2     3.36                
 64 ASP- HN     64 ASP- HB3     3.36                
 64 ASP- HA     65 HIS+ HN      2.62                
 65 HIS+ HN     65 HIS+ HA      2.77                
 65 HIS+ HN     65 HIS+ HB2     3.48                
 65 HIS+ HN     65 HIS+ HB3     3.48                
 65 HIS+ HN     65 HIS+ QB      3.16                
   1 GLU-  PSI      15.0   215.0
   2 ALA   PHI    -185.0   -35.0
   3 GLU-  PHI    -185.0   -35.0
   3 GLU-  CHI1    -80.0   -40.0
   3 GLU-  PSI    -115.0   -25.0
   4 ALA   PHI    -115.0   -35.0
   5 GLU-  PHI    -135.0   -35.0
   5 GLU-  CHI1    -80.0   -40.0
   5 GLU-  PSI     -95.0   -25.0
   6 PHE   PHI    -185.0   -35.0
   6 PHE   CHI1   -200.0  -160.0
   6 PHE   PSI      95.0   195.0
   7 THR   PHI    -185.0   -35.0
   7 THR   CHI1    -80.0   -40.0
   7 THR   PSI      95.0   195.0
   8 ASP-  PHI    -185.0   -35.0
   8 ASP-  CHI1   -200.0  -160.0
   8 ASP-  PSI      95.0   185.0
   9 ALA   PHI     -85.0   -35.0
   9 ALA   PSI     -65.0   -25.0
  10 CYSS  PHI    -215.0   -35.0
  10 CYSS  CHI1     30.0    90.0
  10 CYSS  PSI     -65.0   120.0
  11 VAL   PHI     -95.0   -55.0
  11 VAL   CHI1   -200.0  -160.0
  11 VAL   PSI     -65.0    -5.0
  12 LEU   PHI    -105.0   -45.0
  12 LEU   CHI1   -200.0  -160.0
  12 LEU   PSI     115.0   175.0
  13 PRO   PSI     135.0   195.0
  14 ALA   PHI    -205.0   -45.0
  14 ALA   PSI     115.0   195.0
  15 VAL   PHI    -225.0   -35.0
  15 VAL   CHI1   -200.0  -160.0
  15 VAL   PSI     110.0   175.0
  16 GLN   PHI    -125.0   -55.0
  16 GLN   CHI1    -80.0   -40.0
  16 GLN   PSI     -95.0   -25.0
  17 GLY   PHI      25.0   185.0
  17 GLY   PSI     125.0   205.0
  18 PRO   PSI     -95.0    -5.0
  19 CYSS  PHI    -125.0   -55.0
  19 CYSS  CHI1    -80.0   -40.0
  19 CYSS  PSI     125.0   195.0
  20 ARG+  PHI    -135.0   -85.0
  20 ARG+  CHI1    -80.0   -40.0
  20 ARG+  PSI       5.0    45.0
  21 GLY   PHI    -335.0   -25.0
  21 GLY   PSI    -205.0    -5.0
  22 TRP   PHI    -155.0   -85.0
  22 TRP   CHI1    -80.0   -40.0
  22 TRP   PSI      35.0   155.0
  23 GLU-  PHI    -135.0   -95.0
  23 GLU-  CHI1   -200.0  -160.0
  23 GLU-  PSI     115.0   165.0
  24 PRO   PSI     115.0   175.0
  25 ARG+  PHI    -215.0   -95.0
  25 ARG+  CHI1    -80.0   -40.0
  25 ARG+  PSI     115.0   195.0
  26 TRP   PHI    -205.0   -95.0
  26 TRP   CHI1    -80.0   -40.0
  26 TRP   PSI     115.0   185.0
  27 ALA   PHI    -205.0   -95.0
  27 ALA   PSI     115.0   195.0
  28 TYR   PHI    -205.0   -75.0
  28 TYR   CHI1   -200.0  -160.0
  28 TYR   PSI     115.0   185.0
  29 SER   PHI    -115.0   -85.0
  29 SER   CHI1    -80.0   -40.0
  29 SER   PSI     115.0   185.0
  30 PRO   PSI     -95.0   -25.0
  31 LEU   PHI    -125.0   -35.0
  31 LEU   CHI1    -80.0   -40.0
  31 LEU   PSI     -25.0     5.0
  32 LEU   PHI    -205.0   -95.0
  32 LEU   CHI1    -80.0   -40.0
  32 LEU   PSI     -45.0    -5.0
  33 GLN   PHI      35.0    75.0
  33 GLN   CHI1   -200.0  -160.0
  33 GLN   PSI      -5.0    95.0
  34 GLN   PHI    -205.0   -35.0
  34 GLN   CHI1   -200.0  -160.0
  34 GLN   PSI     115.0   185.0
  35 CYSS  PHI    -215.0   -85.0
  35 CYSS  CHI1    -80.0   -40.0
  35 CYSS  PSI     115.0   195.0
  36 HIS+  PHI    -205.0   -95.0
  36 HIS+  CHI1     40.0    80.0
  36 HIS+  PSI     115.0   185.0
  37 PRO   PSI     155.0   195.0
  38 PHE   PHI    -205.0   -85.0
  38 PHE   CHI1     40.0    80.0
  38 PHE   PSI     115.0   205.0
  39 VAL   PHI    -205.0   -75.0
  39 VAL   CHI1   -200.0  -160.0
  39 VAL   PSI     115.0   195.0
  40 TYR   PHI    -205.0   -75.0
  40 TYR   CHI1   -200.0  -160.0
  40 TYR   PSI     115.0   225.0
  41 GLY   PHI    -335.0   -25.0
  41 GLY   PSI    -125.0   125.0
  42 GLY   PHI    -335.0   -25.0
  42 GLY   PHI     -85.0   205.0
  42 GLY   PSI    -105.0   115.0
  43 CYSS  PHI    -125.0   -35.0
  43 CYSS  CHI1     40.0    80.0
  43 CYSS  PSI     105.0   185.0
  44 GLU-  PHI     -95.0   -35.0
  44 GLU-  CHI1    -80.0   -40.0
  44 GLU-  PSI     135.0   185.0
  45 GLY   PHI    -335.0   -25.0
  45 GLY   PSI       5.0   245.0
  45 GLY   PSI    -275.0    25.0
  46 ASN   PHI    -215.0   -95.0
  46 ASN   CHI1    -80.0   -40.0
  46 ASN   PSI     115.0   215.0
  47 GLY   PHI    -335.0   -25.0
  47 GLY   PHI    -215.0   105.0
  48 ASN   PHI    -125.0   -45.0
  48 ASN   CHI1   -200.0  -160.0
  48 ASN   PSI      35.0   205.0
  49 ASN   PHI    -185.0   -95.0
  49 ASN   CHI1   -200.0  -160.0
  49 ASN   PSI     115.0   185.0
  50 PHE   PHI    -205.0   -85.0
  50 PHE   CHI1    -80.0   -40.0
  50 PHE   PSI     115.0   205.0
  51 HIS+  PHI    -205.0   -95.0
  51 HIS+  CHI1    -80.0   -40.0
  51 HIS+  PSI     -65.0    15.0
  52 SER   PHI    -215.0   -95.0
  52 SER   CHI1     40.0    80.0
  52 SER   PSI     115.0   195.0
  53 ARG+  PHI    -135.0   -45.0
  53 ARG+  CHI1   -200.0  -160.0
  53 ARG+  PSI     -65.0   -35.0
  54 GLU-  PHI     -95.0   -35.0
  54 GLU-  CHI1   -200.0  -160.0
  54 GLU-  PSI     -65.0   -35.0
  55 SER   PHI     -95.0   -35.0
  55 SER   CHI1     40.0    80.0
  55 SER   PSI     -65.0   -35.0
  56 CYSS  PHI     -95.0   -35.0
  56 CYSS  CHI1   -200.0  -160.0
  56 CYSS  PSI     -65.0   -35.0
  57 GLU-  PHI     -95.0   -35.0
  57 GLU-  CHI1    -80.0   -40.0
  57 GLU-  PSI     -65.0   -35.0
  58 ASP-  PHI     -95.0   -35.0
  58 ASP-  CHI1   -200.0  -160.0
  58 ASP-  PSI     -65.0   -25.0
  59 ALA   PHI     -95.0   -35.0
  59 ALA   PSI     -65.0   -35.0
  60 CYSS  PHI    -205.0   -45.0
  60 CYSS  CHI1    -80.0   -40.0
  60 CYSS  PSI      65.0   165.0
  61 PRO   PSI      45.0   195.0
  62 VAL   PHI    -205.0   -95.0
  62 VAL   CHI1   -200.0  -160.0
  62 VAL   PSI     115.0   205.0
  63 VAL   PHI    -125.0   -35.0
  63 VAL   CHI1   -200.0  -160.0
  63 VAL   PSI     115.0   185.0
  64 ASP-  PHI    -125.0   -35.0
  64 ASP-  CHI1   -200.0  -160.0
  64 ASP-  PSI     115.0   185.0
  65 HIS+  PHI    -185.0   -35.0
  65 HIS+  CHI1    -80.0   -40.0
  66 HIS+  PHI    -185.0   -35.0
  67 HIS+  PHI    -185.0   -35.0
  68 HIS+  PHI    -185.0   -35.0
  69 HIS+  PHI    -185.0   -35.0
  70 HIS+  PHI    -185.0   -35.0


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLU   1          1H        GLU   1  -7.724 -14.531  -9.250
    2   2H    GLU   1          2H        GLU   1  -9.001 -13.602  -9.799
    3   3H    GLU   1          H         GLU   1  -8.646 -13.671  -8.188
    4    HA   GLU   1           HA       GLU   1  -7.094 -12.437 -10.345
    5   1HB   GLU   1          1HB       GLU   1  -8.210 -11.217  -7.807
    6   2HB   GLU   1          2HB       GLU   1  -7.311 -10.401  -9.093
    7   1HG   GLU   1          1HG       GLU   1 -10.138 -11.412  -9.103
    8   2HG   GLU   1          2HG       GLU   1  -9.491  -9.900  -9.749
    9    H    ALA   2           H        ALA   2  -5.754 -11.048  -8.031
   10    HA   ALA   2           HA       ALA   2  -3.547 -12.878  -7.445
   11   1HB   ALA   2          1HB       ALA   2  -3.298 -10.395  -7.295
   12   2HB   ALA   2          2HB       ALA   2  -4.493 -10.368  -5.978
   13   3HB   ALA   2          3HB       ALA   2  -2.932 -11.182  -5.751
   14    H    GLU   3           H        GLU   3  -3.258 -13.253  -4.809
   15    HA   GLU   3           HA       GLU   3  -5.641 -14.801  -4.063
   16   1HB   GLU   3          1HB       GLU   3  -3.119 -14.404  -2.438
   17   2HB   GLU   3          2HB       GLU   3  -4.426 -15.541  -2.113
   18   1HG   GLU   3          1HG       GLU   3  -2.429 -15.598  -4.390
   19   2HG   GLU   3          2HG       GLU   3  -2.596 -16.754  -3.082
   20    H    ALA   4           H        ALA   4  -4.511 -11.572  -3.607
   21    HA   ALA   4           HA       ALA   4  -6.261 -11.051  -1.283
   22   1HB   ALA   4          1HB       ALA   4  -5.475  -8.714  -1.605
   23   2HB   ALA   4          2HB       ALA   4  -4.113  -9.822  -1.368
   24   3HB   ALA   4          3HB       ALA   4  -4.501  -9.218  -2.997
   25    H    GLU   5           H        GLU   5  -8.370 -11.206  -1.958
   26    HA   GLU   5           HA       GLU   5  -9.132 -10.053  -4.610
   27   1HB   GLU   5          1HB       GLU   5 -10.327 -12.459  -3.179
   28   2HB   GLU   5          2HB       GLU   5 -10.953 -11.719  -4.669
   29   1HG   GLU   5          1HG       GLU   5  -8.664 -12.067  -5.703
   30   2HG   GLU   5          2HG       GLU   5  -8.229 -13.013  -4.279
   31    H    PHE   6           H        PHE   6  -9.638  -9.852  -1.192
   32    HA   PHE   6           HA       PHE   6 -12.267  -8.535  -1.381
   33   1HB   PHE   6          1HB       PHE   6 -11.660  -9.698   0.715
   34   2HB   PHE   6          2HB       PHE   6 -10.170  -8.762   0.838
   35    HD1  PHE   6           1HD      PHE   6 -10.183  -6.407   1.557
   36    HD2  PHE   6           2HD      PHE   6 -13.868  -8.639   1.182
   37    HE1  PHE   6           1HE      PHE   6 -11.392  -4.619   2.749
   38    HE2  PHE   6           2HE      PHE   6 -15.065  -6.839   2.401
   39    HZ   PHE   6           HZ       PHE   6 -13.830  -4.825   3.182
   40    H    THR   7           H        THR   7 -12.405  -6.204  -1.647
   41    HA   THR   7           HA       THR   7  -9.909  -5.031  -2.664
   42    HB   THR   7           HB       THR   7 -12.669  -3.800  -2.423
   43    HG1  THR   7           1HG      THR   7 -12.057  -5.714  -3.899
   44   1HG2  THR   7          1HG2      THR   7 -10.250  -2.926  -4.082
   45   2HG2  THR   7          2HG2      THR   7 -11.802  -2.084  -3.935
   46   3HG2  THR   7          3HG2      THR   7 -10.703  -2.162  -2.556
   47    H    ASP   8           H        ASP   8  -8.578  -4.886  -0.920
   48    HA   ASP   8           HA       ASP   8  -9.373  -3.312   1.463
   49   1HB   ASP   8          1HB       ASP   8  -7.798  -5.121   1.872
   50   2HB   ASP   8          2HB       ASP   8  -6.765  -4.597   0.526
   51    H    ALA   9           H        ALA   9  -7.744  -1.351   1.834
   52    HA   ALA   9           HA       ALA   9  -8.061   0.572  -0.274
   53   1HB   ALA   9          1HB       ALA   9  -7.607   1.237   2.081
   54   2HB   ALA   9          2HB       ALA   9  -5.974   0.530   1.953
   55   3HB   ALA   9          3HB       ALA   9  -6.421   1.921   0.950
   56    H    CYS  10           H        CYS  10  -5.578  -1.892   0.351
   57    HA   CYS  10           HA       CYS  10  -3.494  -0.712  -1.201
   58   1HB   CYS  10          1HB       CYS  10  -2.305  -2.634  -0.753
   59   2HB   CYS  10          2HB       CYS  10  -3.461  -2.637   0.546
   60    H    VAL  11           H        VAL  11  -6.377  -2.463  -2.146
   61    HA   VAL  11           HA       VAL  11  -5.425  -3.138  -4.824
   62    HB   VAL  11           HB       VAL  11  -8.176  -3.257  -3.534
   63   1HG1  VAL  11          1HG1      VAL  11  -8.288  -3.393  -6.030
   64   2HG1  VAL  11          2HG1      VAL  11  -7.181  -4.787  -5.975
   65   3HG1  VAL  11          3HG1      VAL  11  -8.789  -4.886  -5.235
   66   1HG2  VAL  11          1HG2      VAL  11  -6.018  -5.396  -3.746
   67   2HG2  VAL  11          2HG2      VAL  11  -6.688  -4.691  -2.260
   68   3HG2  VAL  11          3HG2      VAL  11  -7.699  -5.714  -3.271
   69    H    LEU  12           H        LEU  12  -6.813  -0.399  -3.227
   70    HA   LEU  12           HA       LEU  12  -8.077   0.800  -5.528
   71   1HB   LEU  12          1HB       LEU  12  -9.279   1.304  -3.896
   72   2HB   LEU  12          2HB       LEU  12  -8.054   1.262  -2.622
   73    HG   LEU  12           HG       LEU  12  -7.463   3.624  -3.349
   74   1HD1  LEU  12          1HD1      LEU  12  -9.657   4.714  -4.497
   75   2HD1  LEU  12          2HD1      LEU  12  -8.357   4.091  -5.490
   76   3HD1  LEU  12          3HD1      LEU  12  -9.828   3.113  -5.218
   77   1HD2  LEU  12          1HD2      LEU  12  -8.839   3.118  -1.405
   78   2HD2  LEU  12          2HD2      LEU  12  -9.478   4.561  -2.211
   79   3HD2  LEU  12          3HD2      LEU  12 -10.297   3.002  -2.410
   80    HA   PRO  13           HA       PRO  13  -4.348   2.829  -6.933
   81   1HB   PRO  13          1HB       PRO  13  -6.322   4.899  -7.853
   82   2HB   PRO  13          2HB       PRO  13  -4.995   4.135  -8.774
   83   1HG   PRO  13          1HG       PRO  13  -7.604   3.367  -9.140
   84   2HG   PRO  13          2HG       PRO  13  -6.258   2.188  -9.193
   85   1HD   PRO  13          1HD       PRO  13  -8.252   2.625  -6.976
   86   2HD   PRO  13          2HD       PRO  13  -7.438   1.149  -7.479
   87    H    ALA  14           H        ALA  14  -3.210   4.831  -6.482
   88    HA   ALA  14           HA       ALA  14  -4.003   6.007  -3.875
   89   1HB   ALA  14          1HB       ALA  14  -1.345   6.211  -5.351
   90   2HB   ALA  14          2HB       ALA  14  -1.712   6.660  -3.665
   91   3HB   ALA  14          3HB       ALA  14  -1.754   4.965  -4.138
   92    H    VAL  15           H        VAL  15  -3.443   8.428  -3.641
   93    HA   VAL  15           HA       VAL  15  -4.054  10.011  -6.054
   94    HB   VAL  15           HB       VAL  15  -5.653   9.862  -3.482
   95   1HG1  VAL  15          1HG1      VAL  15  -7.054  11.736  -4.294
   96   2HG1  VAL  15          2HG1      VAL  15  -5.440  12.215  -3.816
   97   3HG1  VAL  15          3HG1      VAL  15  -5.845  12.069  -5.552
   98   1HG2  VAL  15          1HG2      VAL  15  -6.366   8.307  -5.294
   99   2HG2  VAL  15          2HG2      VAL  15  -7.591   9.540  -4.995
  100   3HG2  VAL  15          3HG2      VAL  15  -6.517   9.674  -6.408
  101    H    GLN  16           H        GLN  16  -3.375  12.117  -5.820
  102    HA   GLN  16           HA       GLN  16  -1.143  12.599  -3.977
  103   1HB   GLN  16          1HB       GLN  16  -2.261  14.073  -6.377
  104   2HB   GLN  16          2HB       GLN  16  -1.159  14.890  -5.254
  105   1HG   GLN  16          1HG       GLN  16   0.554  13.279  -5.572
  106   2HG   GLN  16          2HG       GLN  16  -0.499  12.190  -6.488
  107   1HE2  GLN  16          1HE2      GLN  16   1.346  15.323  -6.667
  108   2HE2  GLN  16          2HE2      GLN  16   1.415  15.215  -8.411
  109    H    GLY  17           H        GLY  17  -4.154  14.357  -4.790
  110   1HA   GLY  17          1HA       GLY  17  -5.704  14.985  -2.980
  111   2HA   GLY  17          2HA       GLY  17  -4.282  15.421  -2.015
  112    HA   PRO  18           HA       PRO  18  -5.651  18.992  -4.756
  113   1HB   PRO  18          1HB       PRO  18  -6.701  20.723  -2.901
  114   2HB   PRO  18          2HB       PRO  18  -7.635  19.398  -3.653
  115   1HG   PRO  18          1HG       PRO  18  -6.254  19.402  -0.953
  116   2HG   PRO  18          2HG       PRO  18  -7.920  18.874  -1.350
  117   1HD   PRO  18          1HD       PRO  18  -5.847  17.101  -1.133
  118   2HD   PRO  18          2HD       PRO  18  -7.156  16.864  -2.314
  119    H    CYS  19           H        CYS  19  -3.416  18.483  -2.254
  120    HA   CYS  19           HA       CYS  19  -2.425  21.170  -1.949
  121   1HB   CYS  19          1HB       CYS  19  -1.342  18.469  -1.123
  122   2HB   CYS  19          2HB       CYS  19  -0.501  19.946  -0.762
  123    H    ARG  20           H        ARG  20   0.068  21.309  -2.101
  124    HA   ARG  20           HA       ARG  20   0.874  20.814  -4.937
  125   1HB   ARG  20          1HB       ARG  20   0.801  23.506  -3.519
  126   2HB   ARG  20          2HB       ARG  20   1.791  23.144  -4.911
  127   1HG   ARG  20          1HG       ARG  20  -0.068  24.199  -5.836
  128   2HG   ARG  20          2HG       ARG  20  -0.283  22.496  -6.207
  129   1HD   ARG  20          1HD       ARG  20  -2.385  23.633  -5.577
  130   2HD   ARG  20          2HD       ARG  20  -2.024  22.300  -4.503
  131    HE   ARG  20           HE       ARG  20  -0.962  24.806  -3.561
  132   1HH1  ARG  20          2HH2      ARG  20  -3.905  22.774  -3.510
  133   2HH1  ARG  20          1HH2      ARG  20  -4.664  23.635  -2.242
  134   1HH2  ARG  20          2HH1      ARG  20  -1.970  25.938  -1.786
  135   2HH2  ARG  20          1HH1      ARG  20  -3.506  25.425  -1.198
  136    H    GLY  21           H        GLY  21   1.647  20.089  -2.036
  137   1HA   GLY  21          1HA       GLY  21   4.600  20.548  -2.137
  138   2HA   GLY  21          2HA       GLY  21   3.690  20.100  -0.655
  139    H    TRP  22           H        TRP  22   5.798  18.371  -1.972
  140    HA   TRP  22           HA       TRP  22   4.071  16.153  -2.896
  141   1HB   TRP  22          1HB       TRP  22   6.725  17.041  -4.047
  142   2HB   TRP  22          2HB       TRP  22   5.810  15.644  -4.557
  143    HD1  TRP  22           HD       TRP  22   6.607  18.716  -5.888
  144    HE1  TRP  22           1HE      TRP  22   4.793  19.969  -7.177
  145    HE3  TRP  22           3HE      TRP  22   2.482  16.074  -4.329
  146    HZ2  TRP  22           2HZ      TRP  22   1.917  19.918  -7.429
  147    HZ3  TRP  22           3HZ      TRP  22   0.223  16.768  -5.054
  148    HH2  TRP  22           HH       TRP  22  -0.075  18.663  -6.606
  149    H    GLU  23           H        GLU  23   4.090  14.804  -1.431
  150    HA   GLU  23           HA       GLU  23   6.341  14.282   0.423
  151   1HB   GLU  23          1HB       GLU  23   4.241  15.100   1.367
  152   2HB   GLU  23          2HB       GLU  23   3.301  13.887   0.506
  153   1HG   GLU  23          1HG       GLU  23   3.398  13.238   2.747
  154   2HG   GLU  23          2HG       GLU  23   4.346  12.104   1.803
  155    HA   PRO  24           HA       PRO  24   6.471  10.416  -2.213
  156   1HB   PRO  24          1HB       PRO  24   8.734   9.326  -1.165
  157   2HB   PRO  24          2HB       PRO  24   8.766  10.684  -2.332
  158   1HG   PRO  24          1HG       PRO  24   9.000  10.819   0.690
  159   2HG   PRO  24          2HG       PRO  24  10.024  11.629  -0.538
  160   1HD   PRO  24          1HD       PRO  24   7.975  12.902   0.710
  161   2HD   PRO  24          2HD       PRO  24   8.349  13.231  -1.005
  162    H    ARG  25           H        ARG  25   5.221   8.789  -1.811
  163    HA   ARG  25           HA       ARG  25   5.367   7.386   0.796
  164   1HB   ARG  25          1HB       ARG  25   2.841   8.390  -0.589
  165   2HB   ARG  25          2HB       ARG  25   2.796   7.091   0.605
  166   1HG   ARG  25          1HG       ARG  25   3.845   9.900   1.155
  167   2HG   ARG  25          2HG       ARG  25   2.243   9.297   1.556
  168   1HD   ARG  25          1HD       ARG  25   3.206   7.536   2.967
  169   2HD   ARG  25          2HD       ARG  25   4.841   8.098   2.628
  170    HE   ARG  25           HE       ARG  25   2.814   9.357   4.317
  171   1HH1  ARG  25          2HH2      ARG  25   5.981   9.828   2.653
  172   2HH1  ARG  25          1HH2      ARG  25   6.337  11.258   3.502
  173   1HH2  ARG  25          2HH1      ARG  25   3.448  11.263   5.558
  174   2HH2  ARG  25          1HH1      ARG  25   4.868  12.106   5.071
  175    H    TRP  26           H        TRP  26   3.910   5.271   0.459
  176    HA   TRP  26           HA       TRP  26   4.800   4.037  -2.114
  177   1HB   TRP  26          1HB       TRP  26   4.919   3.080   0.763
  178   2HB   TRP  26          2HB       TRP  26   4.867   1.943  -0.579
  179    HD1  TRP  26           HD       TRP  26   7.120   4.729   0.858
  180    HE1  TRP  26           1HE      TRP  26   9.495   4.426  -0.039
  181    HE3  TRP  26           3HE      TRP  26   6.256   0.814  -2.266
  182    HZ2  TRP  26           2HZ      TRP  26  10.854   2.676  -1.968
  183    HZ3  TRP  26           3HZ      TRP  26   8.006   0.079  -3.880
  184    HH2  TRP  26           HH       TRP  26  10.316   0.836  -3.601
  185    H    ALA  27           H        ALA  27   3.249   2.666  -3.126
  186    HA   ALA  27           HA       ALA  27   0.720   2.209  -1.688
  187   1HB   ALA  27          1HB       ALA  27   0.136   4.169  -2.973
  188   2HB   ALA  27          2HB       ALA  27   0.870   3.483  -4.457
  189   3HB   ALA  27          3HB       ALA  27  -0.581   2.761  -3.756
  190    H    TYR  28           H        TYR  28  -0.296   0.349  -2.297
  191    HA   TYR  28           HA       TYR  28   1.342  -1.616  -3.750
  192   1HB   TYR  28          1HB       TYR  28   0.028  -2.174  -1.646
  193   2HB   TYR  28          2HB       TYR  28  -1.432  -1.873  -2.549
  194    HD1  TYR  28           1HD      TYR  28  -2.280  -3.506  -4.204
  195    HD2  TYR  28           2HD      TYR  28   1.387  -4.250  -2.056
  196    HE1  TYR  28           1HE      TYR  28  -2.310  -5.859  -4.939
  197    HE2  TYR  28           2HE      TYR  28   1.434  -6.526  -2.881
  198    HH   TYR  28           HH       TYR  28   0.123  -8.165  -3.799
  199    H    SER  29           H        SER  29   0.829  -2.481  -5.727
  200    HA   SER  29           HA       SER  29  -1.514  -1.381  -7.164
  201   1HB   SER  29          1HB       SER  29   1.365  -1.598  -7.978
  202   2HB   SER  29          2HB       SER  29   0.142  -1.550  -9.219
  203    HG   SER  29           HG       SER  29  -0.282   0.140  -7.083
  204    HA   PRO  30           HA       PRO  30  -2.063  -5.877  -7.139
  205   1HB   PRO  30          1HB       PRO  30  -4.618  -5.957  -8.147
  206   2HB   PRO  30          2HB       PRO  30  -4.256  -5.588  -6.431
  207   1HG   PRO  30          1HG       PRO  30  -4.812  -3.643  -8.689
  208   2HG   PRO  30          2HG       PRO  30  -5.491  -3.648  -7.038
  209   1HD   PRO  30          1HD       PRO  30  -3.408  -2.057  -7.731
  210   2HD   PRO  30          2HD       PRO  30  -3.495  -2.798  -6.107
  211    H    LEU  31           H        LEU  31  -2.805  -3.615  -9.787
  212    HA   LEU  31           HA       LEU  31  -2.585  -5.408 -11.963
  213   1HB   LEU  31          1HB       LEU  31  -2.241  -2.439 -11.651
  214   2HB   LEU  31          2HB       LEU  31  -1.929  -3.225 -13.196
  215    HG   LEU  31           HG       LEU  31  -4.543  -3.655 -11.698
  216   1HD1  LEU  31          1HD1      LEU  31  -3.885  -1.595 -13.827
  217   2HD1  LEU  31          2HD1      LEU  31  -5.504  -1.944 -13.168
  218   3HD1  LEU  31          3HD1      LEU  31  -4.250  -1.267 -12.111
  219   1HD2  LEU  31          1HD2      LEU  31  -5.398  -4.238 -13.964
  220   2HD2  LEU  31          2HD2      LEU  31  -3.770  -4.021 -14.637
  221   3HD2  LEU  31          3HD2      LEU  31  -4.099  -5.325 -13.481
  222    H    LEU  32           H        LEU  32  -0.102  -4.151  -9.866
  223    HA   LEU  32           HA       LEU  32   2.041  -5.140 -11.700
  224   1HB   LEU  32          1HB       LEU  32   1.910  -3.115  -9.462
  225   2HB   LEU  32          2HB       LEU  32   3.442  -3.807  -9.897
  226    HG   LEU  32           HG       LEU  32   1.678  -2.405 -11.942
  227   1HD1  LEU  32          1HD1      LEU  32   3.993  -1.284 -10.302
  228   2HD1  LEU  32          2HD1      LEU  32   3.218  -0.469 -11.679
  229   3HD1  LEU  32          3HD1      LEU  32   2.283  -0.786 -10.217
  230   1HD2  LEU  32          1HD2      LEU  32   4.638  -3.171 -11.972
  231   2HD2  LEU  32          2HD2      LEU  32   3.353  -3.919 -12.940
  232   3HD2  LEU  32          3HD2      LEU  32   3.798  -2.241 -13.235
  233    H    GLN  33           H        GLN  33   0.092  -6.005  -9.120
  234    HA   GLN  33           HA       GLN  33   0.123  -7.209  -7.314
  235   1HB   GLN  33          1HB       GLN  33   0.335  -8.800  -9.315
  236   2HB   GLN  33          2HB       GLN  33   2.026  -9.006  -8.861
  237   1HG   GLN  33          1HG       GLN  33   0.455  -9.316  -6.480
  238   2HG   GLN  33          2HG       GLN  33  -0.406 -10.187  -7.739
  239   1HE2  GLN  33          1HE2      GLN  33   2.979  -9.737  -6.614
  240   2HE2  GLN  33          2HE2      GLN  33   3.478 -11.411  -6.800
  241    H    GLN  34           H        GLN  34   1.818  -5.022  -7.045
  242    HA   GLN  34           HA       GLN  34   3.803  -5.914  -5.083
  243   1HB   GLN  34          1HB       GLN  34   4.745  -6.192  -7.566
  244   2HB   GLN  34          2HB       GLN  34   4.820  -4.415  -7.503
  245   1HG   GLN  34          1HG       GLN  34   6.371  -4.510  -5.648
  246   2HG   GLN  34          2HG       GLN  34   6.284  -6.282  -5.634
  247   1HE2  GLN  34          1HE2      GLN  34   6.319  -6.469  -8.664
  248   2HE2  GLN  34          2HE2      GLN  34   7.989  -6.096  -9.071
  249    H    CYS  35           H        CYS  35   4.979  -3.948  -4.283
  250    HA   CYS  35           HA       CYS  35   3.261  -1.496  -4.422
  251   1HB   CYS  35          1HB       CYS  35   5.324  -2.373  -2.403
  252   2HB   CYS  35          2HB       CYS  35   4.673  -0.741  -2.461
  253    H    HIS  36           H        HIS  36   4.061   0.483  -4.680
  254    HA   HIS  36           HA       HIS  36   6.858   0.813  -5.663
  255   1HB   HIS  36          1HB       HIS  36   6.177   1.987  -7.680
  256   2HB   HIS  36          2HB       HIS  36   5.524   0.358  -7.673
  257    HD1  HIS  36           1HD      HIS  36   4.312   3.993  -6.954
  258    HD2  HIS  36           2HD      HIS  36   2.827   0.147  -8.039
  259    HE1  HIS  36           1HE      HIS  36   1.792   4.239  -7.392
  260    HE2  HIS  36           2HE      HIS  36   0.966   1.845  -8.078
  261    HA   PRO  37           HA       PRO  37   6.486   4.702  -3.440
  262   1HB   PRO  37          1HB       PRO  37   8.170   6.143  -5.380
  263   2HB   PRO  37          2HB       PRO  37   8.536   5.718  -3.686
  264   1HG   PRO  37          1HG       PRO  37   9.756   4.545  -5.911
  265   2HG   PRO  37          2HG       PRO  37   9.613   3.779  -4.309
  266   1HD   PRO  37          1HD       PRO  37   7.981   3.289  -6.775
  267   2HD   PRO  37          2HD       PRO  37   8.488   2.157  -5.499
  268    H    PHE  38           H        PHE  38   5.572   7.052  -3.856
  269    HA   PHE  38           HA       PHE  38   4.824   7.683  -6.538
  270   1HB   PHE  38          1HB       PHE  38   2.499   7.586  -6.451
  271   2HB   PHE  38          2HB       PHE  38   2.993   6.017  -5.872
  272    HD1  PHE  38           1HD      PHE  38   0.885   8.807  -5.289
  273    HD2  PHE  38           2HD      PHE  38   3.066   5.727  -3.197
  274    HE1  PHE  38           1HE      PHE  38  -0.552   9.128  -3.329
  275    HE2  PHE  38           2HE      PHE  38   1.530   6.016  -1.255
  276    HZ   PHE  38           HZ       PHE  38  -0.255   7.704  -1.306
  277    H    VAL  39           H        VAL  39   3.610   9.838  -6.506
  278    HA   VAL  39           HA       VAL  39   4.727  11.524  -4.355
  279    HB   VAL  39           HB       VAL  39   3.327  12.251  -6.993
  280   1HG1  VAL  39          1HG1      VAL  39   2.882  13.968  -5.367
  281   2HG1  VAL  39          2HG1      VAL  39   4.543  13.925  -4.773
  282   3HG1  VAL  39          3HG1      VAL  39   4.184  14.565  -6.402
  283   1HG2  VAL  39          1HG2      VAL  39   6.261  12.456  -6.143
  284   2HG2  VAL  39          2HG2      VAL  39   5.612  11.333  -7.359
  285   3HG2  VAL  39          3HG2      VAL  39   5.573  13.073  -7.659
  286    H    TYR  40           H        TYR  40   3.439  12.114  -2.712
  287    HA   TYR  40           HA       TYR  40   0.503  12.023  -2.971
  288   1HB   TYR  40          1HB       TYR  40   1.051  10.212  -1.586
  289   2HB   TYR  40          2HB       TYR  40   2.367  11.046  -0.812
  290    HD1  TYR  40           1HD      TYR  40   2.084  11.727   1.334
  291    HD2  TYR  40           2HD      TYR  40  -1.376  11.518  -1.239
  292    HE1  TYR  40           1HE      TYR  40   0.681  12.436   3.198
  293    HE2  TYR  40           2HE      TYR  40  -2.802  12.292   0.611
  294    HH   TYR  40           HH       TYR  40  -2.757  13.277   2.715
  295    H    GLY  41           H        GLY  41  -0.408  13.812  -1.332
  296   1HA   GLY  41          1HA       GLY  41   1.386  16.179  -1.590
  297   2HA   GLY  41          2HA       GLY  41  -0.337  16.188  -1.811
  298    H    GLY  42           H        GLY  42   0.244  14.278   0.923
  299   1HA   GLY  42          1HA       GLY  42   0.499  14.660   3.157
  300   2HA   GLY  42          2HA       GLY  42   0.944  16.340   2.840
  301    H    CYS  43           H        CYS  43  -1.905  16.112   1.317
  302    HA   CYS  43           HA       CYS  43  -3.668  16.420   3.662
  303   1HB   CYS  43          1HB       CYS  43  -4.919  18.107   2.533
  304   2HB   CYS  43          2HB       CYS  43  -3.262  18.584   2.746
  305    H    GLU  44           H        GLU  44  -6.094  16.357   2.346
  306    HA   GLU  44           HA       GLU  44  -6.942  13.865   2.474
  307   1HB   GLU  44          1HB       GLU  44  -7.851  15.664   0.217
  308   2HB   GLU  44          2HB       GLU  44  -8.716  14.308   0.936
  309   1HG   GLU  44          1HG       GLU  44  -9.704  16.065   1.999
  310   2HG   GLU  44          2HG       GLU  44  -8.507  15.598   3.189
  311    H    GLY  45           H        GLY  45  -6.869  11.893   1.407
  312   1HA   GLY  45          1HA       GLY  45  -6.129  11.498  -1.329
  313   2HA   GLY  45          2HA       GLY  45  -4.828  11.104  -0.199
  314    H    ASN  46           H        ASN  46  -5.552   8.832  -1.269
  315    HA   ASN  46           HA       ASN  46  -7.891   7.728   0.209
  316   1HB   ASN  46          1HB       ASN  46  -6.207   6.138  -1.725
  317   2HB   ASN  46          2HB       ASN  46  -7.798   5.782  -1.119
  318   1HD2  ASN  46          1HD2      ASN  46  -7.328   5.688  -3.950
  319   2HD2  ASN  46          2HD2      ASN  46  -8.281   7.020  -4.570
  320    H    GLY  47           H        GLY  47  -7.398   5.347   0.816
  321   1HA   GLY  47          1HA       GLY  47  -5.559   5.555   3.083
  322   2HA   GLY  47          2HA       GLY  47  -6.657   4.211   2.743
  323    H    ASN  48           H        ASN  48  -5.167   4.434  -0.128
  324    HA   ASN  48           HA       ASN  48  -3.176   2.365   0.496
  325   1HB   ASN  48          1HB       ASN  48  -4.635   2.245  -1.483
  326   2HB   ASN  48          2HB       ASN  48  -3.925   3.633  -2.189
  327   1HD2  ASN  48          1HD2      ASN  48  -3.723   1.489  -3.696
  328   2HD2  ASN  48          2HD2      ASN  48  -2.246   0.564  -3.622
  329    H    ASN  49           H        ASN  49  -2.066   3.821   1.950
  330    HA   ASN  49           HA       ASN  49  -0.024   5.498   0.607
  331   1HB   ASN  49          1HB       ASN  49  -2.036   6.893   1.298
  332   2HB   ASN  49          2HB       ASN  49  -1.773   6.382   2.961
  333   1HD2  ASN  49          1HD2      ASN  49  -1.480   9.006   1.208
  334   2HD2  ASN  49          2HD2      ASN  49  -0.003   9.695   1.811
  335    H    PHE  50           H        PHE  50   1.727   4.378   1.246
  336    HA   PHE  50           HA       PHE  50   1.901   3.335   4.010
  337   1HB   PHE  50          1HB       PHE  50   2.999   2.229   1.409
  338   2HB   PHE  50          2HB       PHE  50   3.467   1.618   2.932
  339    HD1  PHE  50           1HD      PHE  50   1.713   0.690   4.566
  340    HD2  PHE  50           2HD      PHE  50   0.743   1.671   0.473
  341    HE1  PHE  50           1HE      PHE  50  -0.457  -0.466   4.789
  342    HE2  PHE  50           2HE      PHE  50  -1.387   0.411   0.697
  343    HZ   PHE  50           HZ       PHE  50  -2.006  -0.621   2.854
  344    H    HIS  51           H        HIS  51   4.076   3.067   4.775
  345    HA   HIS  51           HA       HIS  51   5.363   5.712   4.611
  346   1HB   HIS  51          1HB       HIS  51   6.011   3.416   6.483
  347   2HB   HIS  51          2HB       HIS  51   6.279   5.119   6.721
  348    HD1  HIS  51           1HD      HIS  51   3.793   6.541   7.227
  349    HD2  HIS  51           2HD      HIS  51   3.761   2.335   7.043
  350    HE1  HIS  51           1HE      HIS  51   1.456   5.786   8.055
  351    HE2  HIS  51           2HE      HIS  51   1.458   3.208   7.970
  352    H    SER  52           H        SER  52   5.858   2.495   3.525
  353    HA   SER  52           HA       SER  52   8.563   3.002   2.533
  354   1HB   SER  52          1HB       SER  52   9.336   0.925   3.988
  355   2HB   SER  52          2HB       SER  52   9.252   2.511   4.763
  356    HG   SER  52           HG       SER  52   8.126   0.634   5.915
  357    H    ARG  53           H        ARG  53   9.401   0.926   1.596
  358    HA   ARG  53           HA       ARG  53   7.485  -0.417  -0.112
  359   1HB   ARG  53          1HB       ARG  53   9.835  -0.135  -0.738
  360   2HB   ARG  53          2HB       ARG  53  10.348  -1.080   0.657
  361   1HG   ARG  53          1HG       ARG  53  10.406  -2.377  -1.355
  362   2HG   ARG  53          2HG       ARG  53   9.258  -3.081  -0.225
  363   1HD   ARG  53          1HD       ARG  53   7.432  -1.937  -1.625
  364   2HD   ARG  53          2HD       ARG  53   8.676  -1.504  -2.762
  365    HE   ARG  53           HE       ARG  53   8.048  -4.326  -1.962
  366   1HH1  ARG  53          2HH2      ARG  53   8.226  -2.272  -4.801
  367   2HH1  ARG  53          1HH2      ARG  53   8.874  -3.546  -5.779
  368   1HH2  ARG  53          2HH1      ARG  53   8.353  -5.876  -3.296
  369   2HH2  ARG  53          1HH1      ARG  53   8.909  -5.678  -4.956
  370    H    GLU  54           H        GLU  54   9.262  -1.265   2.797
  371    HA   GLU  54           HA       GLU  54   8.447  -3.830   3.417
  372   1HB   GLU  54          1HB       GLU  54  10.244  -2.769   4.495
  373   2HB   GLU  54          2HB       GLU  54   9.414  -1.295   4.737
  374   1HG   GLU  54          1HG       GLU  54   8.135  -3.245   6.445
  375   2HG   GLU  54          2HG       GLU  54   9.889  -3.420   6.604
  376    H    SER  55           H        SER  55   7.142  -1.070   5.214
  377    HA   SER  55           HA       SER  55   4.955  -2.311   6.142
  378   1HB   SER  55          1HB       SER  55   3.758  -0.166   6.440
  379   2HB   SER  55          2HB       SER  55   5.436  -0.166   6.990
  380    HG   SER  55           HG       SER  55   6.046   0.984   5.243
  381    H    CYS  56           H        CYS  56   5.090  -1.181   2.879
  382    HA   CYS  56           HA       CYS  56   2.236  -1.421   2.377
  383   1HB   CYS  56          1HB       CYS  56   4.143   0.027   1.207
  384   2HB   CYS  56          2HB       CYS  56   4.646  -1.437   0.451
  385    H    GLU  57           H        GLU  57   5.076  -3.392   1.583
  386    HA   GLU  57           HA       GLU  57   3.284  -5.462   0.514
  387   1HB   GLU  57          1HB       GLU  57   6.268  -5.297   0.695
  388   2HB   GLU  57          2HB       GLU  57   5.466  -6.886   0.497
  389   1HG   GLU  57          1HG       GLU  57   4.182  -6.111  -1.413
  390   2HG   GLU  57          2HG       GLU  57   4.703  -4.449  -1.162
  391    H    ASP  58           H        ASP  58   4.662  -4.716   3.681
  392    HA   ASP  58           HA       ASP  58   3.850  -7.144   4.942
  393   1HB   ASP  58          1HB       ASP  58   5.310  -5.449   5.982
  394   2HB   ASP  58          2HB       ASP  58   3.978  -4.294   5.987
  395    H    ALA  59           H        ALA  59   1.989  -4.055   4.080
  396    HA   ALA  59           HA       ALA  59  -0.377  -5.028   5.366
  397   1HB   ALA  59          1HB       ALA  59  -0.050  -3.009   3.108
  398   2HB   ALA  59          2HB       ALA  59  -1.497  -3.237   4.114
  399   3HB   ALA  59          3HB       ALA  59   0.018  -2.676   4.858
  400    H    CYS  60           H        CYS  60   0.753  -5.298   1.955
  401    HA   CYS  60           HA       CYS  60  -1.310  -7.414   1.560
  402   1HB   CYS  60          1HB       CYS  60  -0.782  -5.022  -0.181
  403   2HB   CYS  60          2HB       CYS  60  -1.359  -6.538  -0.869
  404    HA   PRO  61           HA       PRO  61   2.915  -8.859   0.683
  405   1HB   PRO  61          1HB       PRO  61   2.897 -11.202   2.100
  406   2HB   PRO  61          2HB       PRO  61   3.089  -9.608   2.886
  407   1HG   PRO  61          1HG       PRO  61   0.552 -11.241   2.589
  408   2HG   PRO  61          2HG       PRO  61   1.195 -10.444   4.063
  409   1HD   PRO  61          1HD       PRO  61  -0.720  -9.300   2.478
  410   2HD   PRO  61          2HD       PRO  61   0.506  -8.317   3.320
  411    H    VAL  62           H        VAL  62   3.782 -10.790  -0.383
  412    HA   VAL  62           HA       VAL  62   1.711 -12.052  -2.128
  413    HB   VAL  62           HB       VAL  62   4.580 -12.503  -2.605
  414   1HG1  VAL  62          1HG1      VAL  62   3.926 -12.671  -4.933
  415   2HG1  VAL  62          2HG1      VAL  62   3.029 -13.757  -3.873
  416   3HG1  VAL  62          3HG1      VAL  62   2.255 -12.261  -4.475
  417   1HG2  VAL  62          1HG2      VAL  62   3.186  -9.943  -3.586
  418   2HG2  VAL  62          2HG2      VAL  62   4.594 -10.000  -2.508
  419   3HG2  VAL  62          3HG2      VAL  62   4.759 -10.521  -4.182
  420    H    VAL  63           H        VAL  63   1.942 -14.185  -2.235
  421    HA   VAL  63           HA       VAL  63   3.292 -15.803  -0.261
  422    HB   VAL  63           HB       VAL  63   0.271 -15.997  -0.407
  423   1HG1  VAL  63          1HG1      VAL  63   1.220 -18.172   0.135
  424   2HG1  VAL  63          2HG1      VAL  63   2.295 -17.437   1.360
  425   3HG1  VAL  63          3HG1      VAL  63   0.538 -17.484   1.600
  426   1HG2  VAL  63          1HG2      VAL  63   0.806 -13.963   0.852
  427   2HG2  VAL  63          2HG2      VAL  63   0.285 -15.206   1.980
  428   3HG2  VAL  63          3HG2      VAL  63   2.015 -14.836   1.811
  429    H    ASP  64           H        ASP  64   3.077 -18.197  -0.980
  430    HA   ASP  64           HA       ASP  64   3.326 -18.408  -3.856
  431   1HB   ASP  64          1HB       ASP  64   4.322 -20.226  -2.640
  432   2HB   ASP  64          2HB       ASP  64   2.812 -20.543  -1.751
  433    H    HIS  65           H        HIS  65   1.694 -19.090  -5.336
  434    HA   HIS  65           HA       HIS  65  -0.839 -17.956  -4.649
  435   1HB   HIS  65          1HB       HIS  65   0.349 -18.907  -7.251
  436   2HB   HIS  65          2HB       HIS  65  -1.286 -18.271  -7.082
  437    HD1  HIS  65           1HD      HIS  65   1.179 -16.401  -4.846
  438    HD2  HIS  65           2HD      HIS  65  -0.383 -16.241  -8.800
  439    HE1  HIS  65           1HE      HIS  65   1.658 -14.063  -5.760
  440    HE2  HIS  65           2HE      HIS  65   0.747 -13.911  -8.066
  441    H    HIS  66           H        HIS  66  -1.217 -19.611  -3.046
  442    HA   HIS  66           HA       HIS  66  -2.228 -22.258  -3.828
  443   1HB   HIS  66          1HB       HIS  66  -2.667 -20.530  -1.332
  444   2HB   HIS  66          2HB       HIS  66  -3.277 -22.162  -1.529
  445    HD1  HIS  66           1HD      HIS  66   0.379 -22.134  -2.715
  446    HD2  HIS  66           2HD      HIS  66  -1.844 -22.265   0.924
  447    HE1  HIS  66           1HE      HIS  66   1.907 -22.998  -1.016
  448    HE2  HIS  66           2HE      HIS  66   0.628 -23.099   1.251
  449    H    HIS  67           H        HIS  67  -3.291 -21.133  -5.694
  450    HA   HIS  67           HA       HIS  67  -5.174 -19.249  -5.623
  451   1HB   HIS  67          1HB       HIS  67  -5.879 -19.812  -7.772
  452   2HB   HIS  67          2HB       HIS  67  -4.152 -20.096  -7.650
  453    HD1  HIS  67           1HD      HIS  67  -7.104 -21.592  -9.156
  454    HD2  HIS  67           2HD      HIS  67  -3.675 -23.006  -7.066
  455    HE1  HIS  67           1HE      HIS  67  -6.921 -24.050  -9.669
  456    HE2  HIS  67           2HE      HIS  67  -4.827 -24.949  -8.415
  457    H    HIS  68           H        HIS  68  -6.592 -19.115  -3.999
  458    HA   HIS  68           HA       HIS  68  -8.633 -21.212  -3.630
  459   1HB   HIS  68          1HB       HIS  68  -9.892 -19.393  -2.382
  460   2HB   HIS  68          2HB       HIS  68  -8.349 -19.876  -1.715
  461    HD1  HIS  68           1HD      HIS  68  -9.810 -16.672  -3.679
  462    HD2  HIS  68           2HD      HIS  68  -6.583 -18.059  -1.226
  463    HE1  HIS  68           1HE      HIS  68  -8.594 -14.690  -2.896
  464    HE2  HIS  68           2HE      HIS  68  -6.653 -15.389  -1.488
  465    H    HIS  69           H        HIS  69  -8.092 -18.409  -5.568
  466    HA   HIS  69           HA       HIS  69 -10.705 -18.210  -6.804
  467   1HB   HIS  69          1HB       HIS  69  -9.627 -16.468  -8.076
  468   2HB   HIS  69          2HB       HIS  69  -9.034 -16.370  -6.429
  469    HD1  HIS  69           1HD      HIS  69  -6.301 -16.756  -6.019
  470    HD2  HIS  69           2HD      HIS  69  -7.846 -17.181  -9.980
  471    HE1  HIS  69           1HE      HIS  69  -4.345 -16.837  -7.565
  472    HE2  HIS  69           2HE      HIS  69  -5.258 -17.098  -9.984
  473    H    HIS  70           H        HIS  70 -10.779 -18.403  -9.210
  474    HA   HIS  70           HA       HIS  70 -10.350 -20.939 -10.290
  475   1HB   HIS  70          1HB       HIS  70 -11.922 -19.415 -11.287
  476   2HB   HIS  70          2HB       HIS  70 -10.692 -18.169 -11.501
  477    HD1  HIS  70           1HD      HIS  70  -8.554 -19.325 -13.113
  478    HD2  HIS  70           2HD      HIS  70 -12.639 -20.149 -13.712
  479    HE1  HIS  70           1HE      HIS  70  -8.823 -19.979 -15.657
  480    HE2  HIS  70           2HE      HIS  70 -11.344 -20.487 -15.971
  Start of MODEL    2
    1   1H    GLU   1          1H        GLU   1  -3.753  -1.641   4.735
    2   2H    GLU   1          2H        GLU   1  -2.601  -0.423   4.722
    3   3H    GLU   1          H         GLU   1  -3.775  -0.595   3.533
    4    HA   GLU   1           HA       GLU   1  -4.187   0.146   6.348
    5   1HB   GLU   1          1HB       GLU   1  -4.863   1.816   3.932
    6   2HB   GLU   1          2HB       GLU   1  -4.856   2.288   5.630
    7   1HG   GLU   1          1HG       GLU   1  -2.483   1.799   3.806
    8   2HG   GLU   1          2HG       GLU   1  -2.944   3.292   4.621
    9    H    ALA   2           H        ALA   2  -6.802   1.414   5.567
   10    HA   ALA   2           HA       ALA   2  -8.337  -0.633   4.247
   11   1HB   ALA   2          1HB       ALA   2  -8.954   0.030   7.167
   12   2HB   ALA   2          2HB       ALA   2  -9.979  -0.921   6.074
   13   3HB   ALA   2          3HB       ALA   2  -8.392  -1.548   6.557
   14    H    GLU   3           H        GLU   3 -10.539   0.195   3.880
   15    HA   GLU   3           HA       GLU   3 -11.059   3.030   4.427
   16   1HB   GLU   3          1HB       GLU   3 -10.756   1.895   1.628
   17   2HB   GLU   3          2HB       GLU   3 -11.886   3.222   1.956
   18   1HG   GLU   3          1HG       GLU   3 -10.137   4.652   2.788
   19   2HG   GLU   3          2HG       GLU   3  -8.968   3.334   2.784
   20    H    ALA   4           H        ALA   4 -12.436   0.393   2.367
   21    HA   ALA   4           HA       ALA   4 -15.061   0.736   3.629
   22   1HB   ALA   4          1HB       ALA   4 -15.756  -1.084   2.159
   23   2HB   ALA   4          2HB       ALA   4 -14.837   0.103   1.222
   24   3HB   ALA   4          3HB       ALA   4 -14.074  -1.430   1.716
   25    H    GLU   5           H        GLU   5 -16.122  -1.218   4.518
   26    HA   GLU   5           HA       GLU   5 -15.200  -1.896   6.957
   27   1HB   GLU   5          1HB       GLU   5 -16.935  -3.802   5.328
   28   2HB   GLU   5          2HB       GLU   5 -16.846  -3.645   7.077
   29   1HG   GLU   5          1HG       GLU   5 -18.786  -2.506   6.682
   30   2HG   GLU   5          2HG       GLU   5 -17.648  -1.162   6.652
   31    H    PHE   6           H        PHE   6 -14.640  -3.853   4.038
   32    HA   PHE   6           HA       PHE   6 -12.233  -4.927   5.295
   33   1HB   PHE   6          1HB       PHE   6 -13.982  -6.574   5.952
   34   2HB   PHE   6          2HB       PHE   6 -14.379  -6.832   4.262
   35    HD1  PHE   6           1HD      PHE   6 -12.983  -8.257   2.861
   36    HD2  PHE   6           2HD      PHE   6 -11.737  -7.221   6.854
   37    HE1  PHE   6           1HE      PHE   6 -11.201  -9.977   2.749
   38    HE2  PHE   6           2HE      PHE   6  -9.950  -8.942   6.742
   39    HZ   PHE   6           HZ       PHE   6  -9.678 -10.328   4.690
   40    H    THR   7           H        THR   7 -11.250  -3.610   3.738
   41    HA   THR   7           HA       THR   7 -10.507  -4.937   1.321
   42    HB   THR   7           HB       THR   7 -12.217  -2.419   1.134
   43    HG1  THR   7           1HG      THR   7 -13.015  -4.698   0.872
   44   1HG2  THR   7          1HG2      THR   7 -10.232  -1.955  -0.234
   45   2HG2  THR   7          2HG2      THR   7 -10.347  -3.560  -0.993
   46   3HG2  THR   7          3HG2      THR   7 -11.602  -2.335  -1.281
   47    H    ASP   8           H        ASP   8  -8.308  -4.547   1.472
   48    HA   ASP   8           HA       ASP   8  -7.362  -2.256   3.054
   49   1HB   ASP   8          1HB       ASP   8  -6.110  -4.406   3.130
   50   2HB   ASP   8          2HB       ASP   8  -5.764  -4.246   1.411
   51    H    ALA   9           H        ALA   9  -6.943  -0.390   2.163
   52    HA   ALA   9           HA       ALA   9  -7.705   0.731  -0.274
   53   1HB   ALA   9          1HB       ALA   9  -6.996   1.884   1.805
   54   2HB   ALA   9          2HB       ALA   9  -5.309   1.400   1.459
   55   3HB   ALA   9          3HB       ALA   9  -6.206   2.443   0.323
   56    H    CYS  10           H        CYS  10  -4.853  -1.291   0.372
   57    HA   CYS  10           HA       CYS  10  -3.169  -0.593  -1.713
   58   1HB   CYS  10          1HB       CYS  10  -2.181  -2.708  -1.371
   59   2HB   CYS  10          2HB       CYS  10  -2.903  -2.285   0.157
   60    H    VAL  11           H        VAL  11  -6.313  -2.223  -2.052
   61    HA   VAL  11           HA       VAL  11  -5.822  -3.129  -4.774
   62    HB   VAL  11           HB       VAL  11  -8.426  -2.740  -3.235
   63   1HG1  VAL  11          1HG1      VAL  11  -9.342  -4.477  -4.766
   64   2HG1  VAL  11          2HG1      VAL  11  -8.885  -3.016  -5.637
   65   3HG1  VAL  11          3HG1      VAL  11  -7.828  -4.443  -5.702
   66   1HG2  VAL  11          1HG2      VAL  11  -8.261  -5.191  -2.788
   67   2HG2  VAL  11          2HG2      VAL  11  -6.641  -5.206  -3.522
   68   3HG2  VAL  11          3HG2      VAL  11  -6.952  -4.302  -2.026
   69    H    LEU  12           H        LEU  12  -6.643  -0.035  -3.462
   70    HA   LEU  12           HA       LEU  12  -8.112   1.046  -5.755
   71   1HB   LEU  12          1HB       LEU  12  -9.049   1.732  -3.788
   72   2HB   LEU  12          2HB       LEU  12  -7.584   1.688  -2.885
   73    HG   LEU  12           HG       LEU  12  -7.192   3.940  -4.439
   74   1HD1  LEU  12          1HD1      LEU  12 -10.131   3.963  -3.567
   75   2HD1  LEU  12          2HD1      LEU  12  -9.260   5.218  -4.464
   76   3HD1  LEU  12          3HD1      LEU  12  -9.700   3.680  -5.250
   77   1HD2  LEU  12          1HD2      LEU  12  -8.568   3.607  -1.783
   78   2HD2  LEU  12          2HD2      LEU  12  -6.828   3.628  -2.051
   79   3HD2  LEU  12          3HD2      LEU  12  -7.777   5.079  -2.389
   80    HA   PRO  13           HA       PRO  13  -4.298   2.610  -7.430
   81   1HB   PRO  13          1HB       PRO  13  -5.061   5.115  -8.462
   82   2HB   PRO  13          2HB       PRO  13  -5.203   3.535  -9.268
   83   1HG   PRO  13          1HG       PRO  13  -7.309   5.186  -7.955
   84   2HG   PRO  13          2HG       PRO  13  -7.491   3.961  -9.243
   85   1HD   PRO  13          1HD       PRO  13  -8.045   3.676  -6.495
   86   2HD   PRO  13          2HD       PRO  13  -7.972   2.325  -7.627
   87    H    ALA  14           H        ALA  14  -2.804   4.578  -7.358
   88    HA   ALA  14           HA       ALA  14  -2.497   5.403  -4.551
   89   1HB   ALA  14          1HB       ALA  14  -0.543   4.854  -6.051
   90   2HB   ALA  14          2HB       ALA  14  -0.931   6.283  -7.029
   91   3HB   ALA  14          3HB       ALA  14  -0.458   6.474  -5.327
   92    H    VAL  15           H        VAL  15  -3.826   7.059  -3.807
   93    HA   VAL  15           HA       VAL  15  -4.678   9.159  -5.715
   94    HB   VAL  15           HB       VAL  15  -5.414   8.877  -2.822
   95   1HG1  VAL  15          1HG1      VAL  15  -6.668  10.514  -5.054
   96   2HG1  VAL  15          2HG1      VAL  15  -7.336  10.328  -3.419
   97   3HG1  VAL  15          3HG1      VAL  15  -5.785  11.129  -3.628
   98   1HG2  VAL  15          1HG2      VAL  15  -7.647   8.021  -3.774
   99   2HG2  VAL  15          2HG2      VAL  15  -6.840   7.863  -5.331
  100   3HG2  VAL  15          3HG2      VAL  15  -6.304   6.888  -3.940
  101    H    GLN  16           H        GLN  16  -3.694  10.916  -5.779
  102    HA   GLN  16           HA       GLN  16  -1.269  11.459  -4.168
  103   1HB   GLN  16          1HB       GLN  16  -2.414  13.078  -6.485
  104   2HB   GLN  16          2HB       GLN  16  -0.843  13.297  -5.702
  105   1HG   GLN  16          1HG       GLN  16  -0.334  10.850  -6.368
  106   2HG   GLN  16          2HG       GLN  16  -1.767  10.935  -7.392
  107   1HE2  GLN  16          1HE2      GLN  16   1.361  12.564  -6.735
  108   2HE2  GLN  16          2HE2      GLN  16   1.548  13.197  -8.384
  109    H    GLY  17           H        GLY  17  -4.519  12.809  -4.614
  110   1HA   GLY  17          1HA       GLY  17  -5.724  13.931  -2.940
  111   2HA   GLY  17          2HA       GLY  17  -4.205  14.466  -2.176
  112    HA   PRO  18           HA       PRO  18  -5.738  17.622  -5.335
  113   1HB   PRO  18          1HB       PRO  18  -7.001  19.518  -3.863
  114   2HB   PRO  18          2HB       PRO  18  -7.775  17.949  -4.233
  115   1HG   PRO  18          1HG       PRO  18  -6.305  18.742  -1.696
  116   2HG   PRO  18          2HG       PRO  18  -7.922  17.986  -1.840
  117   1HD   PRO  18          1HD       PRO  18  -5.618  16.548  -1.405
  118   2HD   PRO  18          2HD       PRO  18  -7.002  15.885  -2.323
  119    H    CYS  19           H        CYS  19  -3.554  17.805  -2.690
  120    HA   CYS  19           HA       CYS  19  -2.950  20.612  -2.884
  121   1HB   CYS  19          1HB       CYS  19  -1.732  18.333  -1.354
  122   2HB   CYS  19          2HB       CYS  19  -0.946  19.887  -1.364
  123    H    ARG  20           H        ARG  20  -0.446  21.025  -2.796
  124    HA   ARG  20           HA       ARG  20   0.759  20.181  -5.364
  125   1HB   ARG  20          1HB       ARG  20   0.043  23.011  -4.565
  126   2HB   ARG  20          2HB       ARG  20   1.412  22.662  -5.604
  127   1HG   ARG  20          1HG       ARG  20   0.081  22.504  -7.381
  128   2HG   ARG  20          2HG       ARG  20  -0.735  21.116  -6.702
  129   1HD   ARG  20          1HD       ARG  20  -1.503  24.010  -6.194
  130   2HD   ARG  20          2HD       ARG  20  -2.215  22.981  -7.436
  131    HE   ARG  20           HE       ARG  20  -2.993  21.453  -5.629
  132   1HH1  ARG  20          2HH2      ARG  20  -2.525  24.896  -4.865
  133   2HH1  ARG  20          1HH2      ARG  20  -3.807  24.955  -3.707
  134   1HH2  ARG  20          2HH1      ARG  20  -4.696  21.553  -4.188
  135   2HH2  ARG  20          1HH1      ARG  20  -5.078  22.960  -3.257
  136    H    GLY  21           H        GLY  21   1.170  19.969  -2.392
  137   1HA   GLY  21          1HA       GLY  21   4.039  20.766  -2.107
  138   2HA   GLY  21          2HA       GLY  21   2.962  20.257  -0.752
  139    H    TRP  22           H        TRP  22   5.408  18.583  -1.580
  140    HA   TRP  22           HA       TRP  22   3.981  16.265  -2.696
  141   1HB   TRP  22          1HB       TRP  22   6.658  17.349  -3.629
  142   2HB   TRP  22          2HB       TRP  22   5.908  15.879  -4.193
  143    HD1  TRP  22           HD       TRP  22   6.596  19.038  -5.448
  144    HE1  TRP  22           1HE      TRP  22   4.879  20.053  -7.044
  145    HE3  TRP  22           3HE      TRP  22   2.577  16.013  -4.410
  146    HZ2  TRP  22           2HZ      TRP  22   2.131  19.602  -7.820
  147    HZ3  TRP  22           3HZ      TRP  22   0.437  16.337  -5.595
  148    HH2  TRP  22           HH       TRP  22   0.195  18.117  -7.293
  149    H    GLU  23           H        GLU  23   4.166  14.781  -1.398
  150    HA   GLU  23           HA       GLU  23   6.367  14.414   0.573
  151   1HB   GLU  23          1HB       GLU  23   4.341  15.277   1.553
  152   2HB   GLU  23          2HB       GLU  23   3.334  14.150   0.658
  153   1HG   GLU  23          1HG       GLU  23   3.349  13.460   2.896
  154   2HG   GLU  23          2HG       GLU  23   4.223  12.270   1.948
  155    HA   PRO  24           HA       PRO  24   6.518  10.532  -1.973
  156   1HB   PRO  24          1HB       PRO  24   8.738   9.409  -0.855
  157   2HB   PRO  24          2HB       PRO  24   8.802  10.752  -2.037
  158   1HG   PRO  24          1HG       PRO  24   8.958  10.923   0.988
  159   2HG   PRO  24          2HG       PRO  24  10.024  11.708  -0.222
  160   1HD   PRO  24          1HD       PRO  24   7.964  13.024   0.942
  161   2HD   PRO  24          2HD       PRO  24   8.362  13.304  -0.775
  162    H    ARG  25           H        ARG  25   5.230   8.917  -1.630
  163    HA   ARG  25           HA       ARG  25   5.286   7.459   0.955
  164   1HB   ARG  25          1HB       ARG  25   2.800   8.456  -0.510
  165   2HB   ARG  25          2HB       ARG  25   2.725   7.171   0.687
  166   1HG   ARG  25          1HG       ARG  25   3.756   9.988   1.279
  167   2HG   ARG  25          2HG       ARG  25   2.147   9.382   1.628
  168   1HD   ARG  25          1HD       ARG  25   3.090   7.567   3.006
  169   2HD   ARG  25          2HD       ARG  25   4.720   8.164   2.753
  170    HE   ARG  25           HE       ARG  25   2.653   9.338   4.441
  171   1HH1  ARG  25          2HH2      ARG  25   5.829   9.898   2.818
  172   2HH1  ARG  25          1HH2      ARG  25   6.151  11.323   3.690
  173   1HH2  ARG  25          2HH1      ARG  25   3.226  11.269   5.694
  174   2HH2  ARG  25          1HH1      ARG  25   4.653  12.134   5.235
  175    H    TRP  26           H        TRP  26   3.866   5.328   0.595
  176    HA   TRP  26           HA       TRP  26   4.851   4.165  -1.993
  177   1HB   TRP  26          1HB       TRP  26   4.642   3.015   0.812
  178   2HB   TRP  26          2HB       TRP  26   4.857   2.019  -0.629
  179    HD1  TRP  26           HD       TRP  26   6.633   4.765   1.415
  180    HE1  TRP  26           1HE      TRP  26   9.104   4.856   0.797
  181    HE3  TRP  26           3HE      TRP  26   6.700   1.071  -2.107
  182    HZ2  TRP  26           2HZ      TRP  26  10.845   3.681  -1.228
  183    HZ3  TRP  26           3HZ      TRP  26   8.689   0.774  -3.567
  184    HH2  TRP  26           HH       TRP  26  10.777   2.037  -3.106
  185    H    ALA  27           H        ALA  27   3.304   2.920  -3.221
  186    HA   ALA  27           HA       ALA  27   0.663   2.516  -1.955
  187   1HB   ALA  27          1HB       ALA  27  -0.463   3.117  -4.114
  188   2HB   ALA  27          2HB       ALA  27   0.178   4.495  -3.239
  189   3HB   ALA  27          3HB       ALA  27   1.050   3.845  -4.666
  190    H    TYR  28           H        TYR  28  -0.355   0.716  -2.683
  191    HA   TYR  28           HA       TYR  28   1.342  -1.312  -3.973
  192   1HB   TYR  28          1HB       TYR  28  -0.177  -1.758  -1.996
  193   2HB   TYR  28          2HB       TYR  28  -1.528  -1.374  -3.022
  194    HD1  TYR  28           1HD      TYR  28  -2.109  -2.895  -4.987
  195    HD2  TYR  28           2HD      TYR  28   0.642  -4.034  -1.874
  196    HE1  TYR  28           1HE      TYR  28  -2.416  -5.272  -5.565
  197    HE2  TYR  28           2HE      TYR  28   0.406  -6.394  -2.554
  198    HH   TYR  28           HH       TYR  28  -0.446  -7.884  -4.104
  199    H    SER  29           H        SER  29   0.975  -2.164  -5.980
  200    HA   SER  29           HA       SER  29  -1.141  -1.028  -7.702
  201   1HB   SER  29          1HB       SER  29   1.800  -1.478  -8.182
  202   2HB   SER  29          2HB       SER  29   0.723  -1.353  -9.542
  203    HG   SER  29           HG       SER  29   0.253   0.438  -7.495
  204    HA   PRO  30           HA       PRO  30  -1.832  -5.529  -7.573
  205   1HB   PRO  30          1HB       PRO  30  -4.244  -5.572  -8.919
  206   2HB   PRO  30          2HB       PRO  30  -4.090  -5.198  -7.178
  207   1HG   PRO  30          1HG       PRO  30  -4.362  -3.272  -9.490
  208   2HG   PRO  30          2HG       PRO  30  -5.181  -3.224  -7.897
  209   1HD   PRO  30          1HD       PRO  30  -2.986  -1.711  -8.472
  210   2HD   PRO  30          2HD       PRO  30  -3.273  -2.365  -6.836
  211    H    LEU  31           H        LEU  31  -2.126  -3.394 -10.400
  212    HA   LEU  31           HA       LEU  31  -1.711  -5.359 -12.423
  213   1HB   LEU  31          1HB       LEU  31  -1.419  -2.373 -12.291
  214   2HB   LEU  31          2HB       LEU  31  -0.871  -3.255 -13.711
  215    HG   LEU  31           HG       LEU  31  -3.681  -3.612 -12.597
  216   1HD1  LEU  31          1HD1      LEU  31  -2.709  -1.732 -14.777
  217   2HD1  LEU  31          2HD1      LEU  31  -4.408  -2.045 -14.339
  218   3HD1  LEU  31          3HD1      LEU  31  -3.328  -1.260 -13.171
  219   1HD2  LEU  31          1HD2      LEU  31  -2.455  -4.213 -15.338
  220   2HD2  LEU  31          2HD2      LEU  31  -2.971  -5.419 -14.143
  221   3HD2  LEU  31          3HD2      LEU  31  -4.171  -4.391 -14.918
  222    H    LEU  32           H        LEU  32   0.492  -4.131 -10.056
  223    HA   LEU  32           HA       LEU  32   2.813  -5.240 -11.564
  224   1HB   LEU  32          1HB       LEU  32   2.432  -3.016  -9.569
  225   2HB   LEU  32          2HB       LEU  32   4.002  -3.736  -9.724
  226    HG   LEU  32           HG       LEU  32   2.526  -2.541 -12.107
  227   1HD1  LEU  32          1HD1      LEU  32   4.650  -1.274 -10.322
  228   2HD1  LEU  32          2HD1      LEU  32   4.034  -0.593 -11.845
  229   3HD1  LEU  32          3HD1      LEU  32   2.944  -0.773 -10.469
  230   1HD2  LEU  32          1HD2      LEU  32   5.454  -3.327 -11.700
  231   2HD2  LEU  32          2HD2      LEU  32   4.281  -4.150 -12.746
  232   3HD2  LEU  32          3HD2      LEU  32   4.793  -2.513 -13.136
  233    H    GLN  33           H        GLN  33   0.552  -5.870  -9.215
  234    HA   GLN  33           HA       GLN  33   0.332  -6.878  -7.287
  235   1HB   GLN  33          1HB       GLN  33   0.695  -8.684  -9.066
  236   2HB   GLN  33          2HB       GLN  33   2.308  -8.906  -8.383
  237   1HG   GLN  33          1HG       GLN  33   0.434  -8.861  -6.200
  238   2HG   GLN  33          2HG       GLN  33  -0.298  -9.852  -7.448
  239   1HE2  GLN  33          1HE2      GLN  33   2.962  -9.418  -5.966
  240   2HE2  GLN  33          2HE2      GLN  33   3.277 -11.171  -5.836
  241    H    GLN  34           H        GLN  34   2.050  -4.742  -7.004
  242    HA   GLN  34           HA       GLN  34   3.752  -5.547  -4.761
  243   1HB   GLN  34          1HB       GLN  34   5.065  -6.016  -7.040
  244   2HB   GLN  34          2HB       GLN  34   5.159  -4.254  -7.110
  245   1HG   GLN  34          1HG       GLN  34   6.172  -4.632  -4.614
  246   2HG   GLN  34          2HG       GLN  34   6.536  -6.202  -5.302
  247   1HE2  GLN  34          1HE2      GLN  34   7.235  -5.547  -7.976
  248   2HE2  GLN  34          2HE2      GLN  34   8.676  -4.546  -7.899
  249    H    CYS  35           H        CYS  35   4.983  -3.493  -3.968
  250    HA   CYS  35           HA       CYS  35   3.265  -1.127  -4.426
  251   1HB   CYS  35          1HB       CYS  35   5.049  -1.612  -2.041
  252   2HB   CYS  35          2HB       CYS  35   3.764  -0.422  -2.238
  253    H    HIS  36           H        HIS  36   4.091   0.736  -4.941
  254    HA   HIS  36           HA       HIS  36   7.056   0.950  -5.388
  255   1HB   HIS  36          1HB       HIS  36   6.695   2.055  -7.525
  256   2HB   HIS  36          2HB       HIS  36   5.967   0.466  -7.537
  257    HD1  HIS  36           1HD      HIS  36   4.835   4.191  -7.150
  258    HD2  HIS  36           2HD      HIS  36   3.368   0.352  -8.289
  259    HE1  HIS  36           1HE      HIS  36   2.464   4.517  -8.051
  260    HE2  HIS  36           2HE      HIS  36   1.619   2.124  -8.710
  261    HA   PRO  37           HA       PRO  37   6.442   4.813  -3.282
  262   1HB   PRO  37          1HB       PRO  37   8.292   6.537  -4.425
  263   2HB   PRO  37          2HB       PRO  37   8.621   5.337  -3.162
  264   1HG   PRO  37          1HG       PRO  37   9.251   5.246  -6.089
  265   2HG   PRO  37          2HG       PRO  37  10.072   4.399  -4.747
  266   1HD   PRO  37          1HD       PRO  37   8.168   3.338  -6.584
  267   2HD   PRO  37          2HD       PRO  37   8.805   2.523  -5.139
  268    H    PHE  38           H        PHE  38   5.767   7.179  -3.705
  269    HA   PHE  38           HA       PHE  38   5.167   7.938  -6.391
  270   1HB   PHE  38          1HB       PHE  38   2.846   7.891  -6.448
  271   2HB   PHE  38          2HB       PHE  38   3.252   6.299  -5.869
  272    HD1  PHE  38           1HD      PHE  38   3.106   5.935  -3.205
  273    HD2  PHE  38           2HD      PHE  38   1.264   9.220  -5.329
  274    HE1  PHE  38           1HE      PHE  38   1.363   6.153  -1.445
  275    HE2  PHE  38           2HE      PHE  38  -0.426   9.405  -3.566
  276    HZ   PHE  38           HZ       PHE  38  -0.415   7.846  -1.639
  277    H    VAL  39           H        VAL  39   3.863  10.090  -6.265
  278    HA   VAL  39           HA       VAL  39   4.896  11.646  -3.955
  279    HB   VAL  39           HB       VAL  39   4.186  12.321  -6.837
  280   1HG1  VAL  39          1HG1      VAL  39   3.187  14.109  -5.634
  281   2HG1  VAL  39          2HG1      VAL  39   4.527  14.195  -4.477
  282   3HG1  VAL  39          3HG1      VAL  39   4.752  14.717  -6.172
  283   1HG2  VAL  39          1HG2      VAL  39   6.493  11.504  -6.392
  284   2HG2  VAL  39          2HG2      VAL  39   6.488  13.209  -6.865
  285   3HG2  VAL  39          3HG2      VAL  39   6.699  12.769  -5.159
  286    H    TYR  40           H        TYR  40   3.449  11.914  -2.430
  287    HA   TYR  40           HA       TYR  40   0.542  12.007  -2.991
  288   1HB   TYR  40          1HB       TYR  40   0.953  10.273  -1.459
  289   2HB   TYR  40          2HB       TYR  40   2.293  11.089  -0.709
  290    HD1  TYR  40           1HD      TYR  40   2.038  11.882   1.389
  291    HD2  TYR  40           2HD      TYR  40  -1.451  11.608  -1.144
  292    HE1  TYR  40           1HE      TYR  40   0.650  12.660   3.249
  293    HE2  TYR  40           2HE      TYR  40  -2.849  12.495   0.696
  294    HH   TYR  40           HH       TYR  40  -2.744  13.587   2.767
  295    H    GLY  41           H        GLY  41  -0.524  13.858  -1.778
  296   1HA   GLY  41          1HA       GLY  41   1.201  16.198  -2.044
  297   2HA   GLY  41          2HA       GLY  41  -0.524  16.185  -2.072
  298    H    GLY  42           H        GLY  42   0.367  14.417   0.662
  299   1HA   GLY  42          1HA       GLY  42   0.691  14.873   2.875
  300   2HA   GLY  42          2HA       GLY  42   1.272  16.477   2.443
  301    H    CYS  43           H        CYS  43  -1.790  16.160   1.165
  302    HA   CYS  43           HA       CYS  43  -3.288  16.927   3.570
  303   1HB   CYS  43          1HB       CYS  43  -4.345  18.697   2.564
  304   2HB   CYS  43          2HB       CYS  43  -2.671  18.895   2.126
  305    H    GLU  44           H        GLU  44  -5.808  16.936   2.397
  306    HA   GLU  44           HA       GLU  44  -6.839  14.537   2.836
  307   1HB   GLU  44          1HB       GLU  44  -7.760  16.135   0.442
  308   2HB   GLU  44          2HB       GLU  44  -8.675  14.991   1.419
  309   1HG   GLU  44          1HG       GLU  44  -9.405  16.953   2.295
  310   2HG   GLU  44          2HG       GLU  44  -8.118  16.585   3.423
  311    H    GLY  45           H        GLY  45  -6.951  12.449   1.921
  312   1HA   GLY  45          1HA       GLY  45  -6.416  11.848  -0.827
  313   2HA   GLY  45          2HA       GLY  45  -5.054  11.480   0.243
  314    H    ASN  46           H        ASN  46  -6.150   9.306  -0.863
  315    HA   ASN  46           HA       ASN  46  -8.066   8.144   1.096
  316   1HB   ASN  46          1HB       ASN  46  -6.928   6.969  -1.460
  317   2HB   ASN  46          2HB       ASN  46  -8.024   6.178  -0.393
  318   1HD2  ASN  46          1HD2      ASN  46  -9.878   5.806  -1.379
  319   2HD2  ASN  46          2HD2      ASN  46 -10.806   7.087  -2.142
  320    H    GLY  47           H        GLY  47  -7.271   5.575   1.076
  321   1HA   GLY  47          1HA       GLY  47  -5.097   5.662   3.041
  322   2HA   GLY  47          2HA       GLY  47  -6.303   4.394   2.789
  323    H    ASN  48           H        ASN  48  -5.250   4.908  -0.352
  324    HA   ASN  48           HA       ASN  48  -3.272   2.728  -0.058
  325   1HB   ASN  48          1HB       ASN  48  -4.732   2.710  -2.054
  326   2HB   ASN  48          2HB       ASN  48  -3.908   4.099  -2.694
  327   1HD2  ASN  48          1HD2      ASN  48  -3.652   1.925  -4.244
  328   2HD2  ASN  48          2HD2      ASN  48  -2.155   1.084  -4.123
  329    H    ASN  49           H        ASN  49  -2.238   4.131   1.462
  330    HA   ASN  49           HA       ASN  49  -0.029   5.745   0.361
  331   1HB   ASN  49          1HB       ASN  49  -2.016   7.202   0.979
  332   2HB   ASN  49          2HB       ASN  49  -1.982   6.522   2.603
  333   1HD2  ASN  49          1HD2      ASN  49  -1.571   9.307   1.500
  334   2HD2  ASN  49          2HD2      ASN  49  -0.066   9.858   2.173
  335    H    PHE  50           H        PHE  50   1.565   4.457   1.076
  336    HA   PHE  50           HA       PHE  50   1.325   3.075   3.678
  337   1HB   PHE  50          1HB       PHE  50   2.689   2.193   1.126
  338   2HB   PHE  50          2HB       PHE  50   3.102   1.500   2.619
  339    HD1  PHE  50           1HD      PHE  50   1.592  -0.005   3.843
  340    HD2  PHE  50           2HD      PHE  50   0.232   1.996   0.262
  341    HE1  PHE  50           1HE      PHE  50  -0.421  -1.442   3.795
  342    HE2  PHE  50           2HE      PHE  50  -1.776   0.543   0.233
  343    HZ   PHE  50           HZ       PHE  50  -2.104  -1.173   1.980
  344    H    HIS  51           H        HIS  51   3.189   2.740   4.743
  345    HA   HIS  51           HA       HIS  51   4.671   5.214   5.169
  346   1HB   HIS  51          1HB       HIS  51   5.094   2.525   6.580
  347   2HB   HIS  51          2HB       HIS  51   5.086   4.125   7.263
  348    HD1  HIS  51           1HD      HIS  51   3.071   1.118   6.922
  349    HD2  HIS  51           2HD      HIS  51   2.160   5.247   6.866
  350    HE1  HIS  51           1HE      HIS  51   0.485   1.348   7.116
  351    HE2  HIS  51           2HE      HIS  51  -0.063   3.700   7.047
  352    H    SER  52           H        SER  52   5.172   2.041   3.686
  353    HA   SER  52           HA       SER  52   7.876   2.597   2.862
  354   1HB   SER  52          1HB       SER  52   8.704   0.457   4.134
  355   2HB   SER  52          2HB       SER  52   8.660   1.982   4.970
  356    HG   SER  52           HG       SER  52   7.629   0.085   6.153
  357    H    ARG  53           H        ARG  53   8.724   0.721   1.629
  358    HA   ARG  53           HA       ARG  53   6.734  -0.620   0.127
  359   1HB   ARG  53          1HB       ARG  53   9.152  -0.124  -0.423
  360   2HB   ARG  53          2HB       ARG  53   9.549  -1.632   0.431
  361   1HG   ARG  53          1HG       ARG  53   8.050  -2.945  -0.998
  362   2HG   ARG  53          2HG       ARG  53   7.308  -1.477  -1.663
  363   1HD   ARG  53          1HD       ARG  53   8.750  -1.902  -3.313
  364   2HD   ARG  53          2HD       ARG  53   9.557  -0.735  -2.319
  365    HE   ARG  53           HE       ARG  53  11.189  -2.375  -1.727
  366   1HH1  ARG  53          2HH2      ARG  53   8.868  -4.054  -3.870
  367   2HH1  ARG  53          1HH2      ARG  53   8.900  -5.502  -2.853
  368   1HH2  ARG  53          2HH1      ARG  53  11.410  -4.572  -0.685
  369   2HH2  ARG  53          1HH1      ARG  53  10.276  -5.763  -1.235
  370    H    GLU  54           H        GLU  54   8.823  -1.461   2.856
  371    HA   GLU  54           HA       GLU  54   8.315  -4.103   3.419
  372   1HB   GLU  54          1HB       GLU  54   9.976  -2.918   4.560
  373   2HB   GLU  54          2HB       GLU  54   8.970  -1.617   5.028
  374   1HG   GLU  54          1HG       GLU  54   8.529  -4.396   6.192
  375   2HG   GLU  54          2HG       GLU  54   9.822  -3.360   6.796
  376    H    SER  55           H        SER  55   6.716  -1.511   5.213
  377    HA   SER  55           HA       SER  55   4.755  -3.080   6.269
  378   1HB   SER  55          1HB       SER  55   3.340  -1.060   6.622
  379   2HB   SER  55          2HB       SER  55   5.032  -0.888   7.124
  380    HG   SER  55           HG       SER  55   5.451   0.344   5.390
  381    H    CYS  56           H        CYS  56   4.588  -1.692   3.051
  382    HA   CYS  56           HA       CYS  56   1.848  -2.413   2.555
  383   1HB   CYS  56          1HB       CYS  56   3.413  -0.651   1.467
  384   2HB   CYS  56          2HB       CYS  56   4.176  -1.950   0.606
  385    H    GLU  57           H        GLU  57   4.915  -3.882   1.614
  386    HA   GLU  57           HA       GLU  57   3.743  -6.221   0.341
  387   1HB   GLU  57          1HB       GLU  57   6.385  -5.759   1.816
  388   2HB   GLU  57          2HB       GLU  57   6.011  -7.299   1.044
  389   1HG   GLU  57          1HG       GLU  57   6.020  -6.160  -1.145
  390   2HG   GLU  57          2HG       GLU  57   6.445  -4.645  -0.365
  391    H    ASP  58           H        ASP  58   4.391  -5.317   3.678
  392    HA   ASP  58           HA       ASP  58   4.043  -8.046   4.655
  393   1HB   ASP  58          1HB       ASP  58   5.556  -6.185   5.659
  394   2HB   ASP  58          2HB       ASP  58   4.068  -5.552   6.369
  395    H    ALA  59           H        ALA  59   1.981  -5.175   4.039
  396    HA   ALA  59           HA       ALA  59  -0.273  -6.296   5.512
  397   1HB   ALA  59          1HB       ALA  59  -1.468  -4.375   4.486
  398   2HB   ALA  59          2HB       ALA  59   0.003  -3.878   5.345
  399   3HB   ALA  59          3HB       ALA  59  -0.008  -3.960   3.568
  400    H    CYS  60           H        CYS  60   0.403  -5.698   1.968
  401    HA   CYS  60           HA       CYS  60  -1.923  -7.457   1.372
  402   1HB   CYS  60          1HB       CYS  60  -0.742  -5.030   0.038
  403   2HB   CYS  60          2HB       CYS  60  -1.674  -6.179  -0.910
  404    HA   PRO  61           HA       PRO  61   0.382 -10.537  -0.472
  405   1HB   PRO  61          1HB       PRO  61  -0.835 -11.214  -2.863
  406   2HB   PRO  61          2HB       PRO  61  -1.467 -11.599  -1.237
  407   1HG   PRO  61          1HG       PRO  61  -2.217  -9.275  -3.029
  408   2HG   PRO  61          2HG       PRO  61  -3.303 -10.362  -2.110
  409   1HD   PRO  61          1HD       PRO  61  -2.649  -7.931  -1.167
  410   2HD   PRO  61          2HD       PRO  61  -2.757  -9.318  -0.054
  411    H    VAL  62           H        VAL  62   2.360 -10.113  -0.938
  412    HA   VAL  62           HA       VAL  62   3.336  -9.565  -3.582
  413    HB   VAL  62           HB       VAL  62   4.506  -7.998  -1.241
  414   1HG1  VAL  62          1HG1      VAL  62   6.090  -8.162  -3.044
  415   2HG1  VAL  62          2HG1      VAL  62   4.830  -7.885  -4.274
  416   3HG1  VAL  62          3HG1      VAL  62   5.381  -6.578  -3.216
  417   1HG2  VAL  62          1HG2      VAL  62   2.301  -7.016  -1.491
  418   2HG2  VAL  62          2HG2      VAL  62   3.498  -5.910  -2.138
  419   3HG2  VAL  62          3HG2      VAL  62   2.522  -6.893  -3.258
  420    H    VAL  63           H        VAL  63   6.063  -9.877  -2.877
  421    HA   VAL  63           HA       VAL  63   6.116 -12.563  -1.801
  422    HB   VAL  63           HB       VAL  63   8.521 -10.802  -1.642
  423   1HG1  VAL  63          1HG1      VAL  63   8.653 -13.092  -0.820
  424   2HG1  VAL  63          2HG1      VAL  63   8.175 -13.711  -2.420
  425   3HG1  VAL  63          3HG1      VAL  63   9.720 -12.859  -2.212
  426   1HG2  VAL  63          1HG2      VAL  63   9.131 -11.346  -4.032
  427   2HG2  VAL  63          2HG2      VAL  63   7.486 -11.971  -4.275
  428   3HG2  VAL  63          3HG2      VAL  63   7.758 -10.246  -3.919
  429    H    ASP  64           H        ASP  64   6.263 -13.057   0.291
  430    HA   ASP  64           HA       ASP  64   5.750 -10.832   2.215
  431   1HB   ASP  64          1HB       ASP  64   3.950 -12.459   2.105
  432   2HB   ASP  64          2HB       ASP  64   5.074 -13.778   2.483
  433    H    HIS  65           H        HIS  65   7.001 -10.473   3.896
  434    HA   HIS  65           HA       HIS  65   9.592 -11.638   4.170
  435   1HB   HIS  65          1HB       HIS  65   8.170 -10.068   6.391
  436   2HB   HIS  65          2HB       HIS  65   9.864 -10.087   5.954
  437    HD1  HIS  65           1HD      HIS  65   6.832  -8.094   5.651
  438    HD2  HIS  65           2HD      HIS  65  10.099  -8.985   3.085
  439    HE1  HIS  65           1HE      HIS  65   6.750  -6.430   3.719
  440    HE2  HIS  65           2HE      HIS  65   8.721  -6.932   2.154
  441    H    HIS  66           H        HIS  66   6.688 -11.490   6.123
  442    HA   HIS  66           HA       HIS  66   5.706 -13.824   6.560
  443   1HB   HIS  66          1HB       HIS  66   8.076 -13.741   8.366
  444   2HB   HIS  66          2HB       HIS  66   6.539 -14.149   9.121
  445    HD1  HIS  66           1HD      HIS  66   8.398 -15.300   5.922
  446    HD2  HIS  66           2HD      HIS  66   5.751 -16.633   8.927
  447    HE1  HIS  66           1HE      HIS  66   7.909 -17.798   5.412
  448    HE2  HIS  66           2HE      HIS  66   6.301 -18.599   7.272
  449    H    HIS  67           H        HIS  67   3.998 -12.413   6.457
  450    HA   HIS  67           HA       HIS  67   3.523  -9.945   7.279
  451   1HB   HIS  67          1HB       HIS  67   1.627 -12.295   7.383
  452   2HB   HIS  67          2HB       HIS  67   1.106 -10.702   7.909
  453    HD1  HIS  67           1HD      HIS  67   3.328 -10.757   4.779
  454    HD2  HIS  67           2HD      HIS  67  -0.681 -10.310   6.054
  455    HE1  HIS  67           1HE      HIS  67   2.033  -9.678   2.842
  456    HE2  HIS  67           2HE      HIS  67  -0.369  -9.338   3.697
  457    H    HIS  68           H        HIS  68   4.223  -8.910   9.100
  458    HA   HIS  68           HA       HIS  68   4.218 -10.336  11.691
  459   1HB   HIS  68          1HB       HIS  68   5.644  -8.530  12.527
  460   2HB   HIS  68          2HB       HIS  68   6.313  -9.416  11.179
  461    HD1  HIS  68           1HD      HIS  68   6.331  -8.007   8.720
  462    HD2  HIS  68           2HD      HIS  68   5.355  -5.852  12.211
  463    HE1  HIS  68           1HE      HIS  68   6.877  -5.580   8.240
  464    HE2  HIS  68           2HE      HIS  68   6.241  -4.243  10.225
  465    H    HIS  69           H        HIS  69   1.747  -9.946  10.958
  466    HA   HIS  69           HA       HIS  69   0.556  -7.559  12.154
  467   1HB   HIS  69          1HB       HIS  69  -1.510  -8.402  11.469
  468   2HB   HIS  69          2HB       HIS  69  -0.442  -8.976  10.213
  469    HD1  HIS  69           1HD      HIS  69  -2.953 -10.206  12.814
  470    HD2  HIS  69           2HD      HIS  69   0.335 -11.804  10.647
  471    HE1  HIS  69           1HE      HIS  69  -3.089 -12.647  13.064
  472    HE2  HIS  69           2HE      HIS  69  -1.126 -13.689  11.741
  473    H    HIS  70           H        HIS  70  -1.556  -8.639  13.685
  474    HA   HIS  70           HA       HIS  70  -0.502 -10.249  15.854
  475   1HB   HIS  70          1HB       HIS  70  -1.807  -7.485  16.094
  476   2HB   HIS  70          2HB       HIS  70  -1.948  -8.729  17.332
  477    HD1  HIS  70           1HD      HIS  70   1.472  -8.859  15.894
  478    HD2  HIS  70           2HD      HIS  70  -0.663  -6.758  18.884
  479    HE1  HIS  70           1HE      HIS  70   3.242  -7.850  17.500
  480    HE2  HIS  70           2HE      HIS  70   1.916  -6.565  19.316
  Start of MODEL    3
    1   1H    GLU   1          1H        GLU   1   2.032  -8.613   7.414
    2   2H    GLU   1          2H        GLU   1   0.723  -9.513   7.931
    3   3H    GLU   1          H         GLU   1   0.561  -7.938   7.452
    4    HA   GLU   1           HA       GLU   1   1.310  -8.489   5.249
    5   1HB   GLU   1          1HB       GLU   1   2.363 -10.582   5.951
    6   2HB   GLU   1          2HB       GLU   1   0.797 -11.379   5.953
    7   1HG   GLU   1          1HG       GLU   1   0.578 -11.196   3.623
    8   2HG   GLU   1          2HG       GLU   1   1.611  -9.758   3.536
    9    H    ALA   2           H        ALA   2  -0.519  -9.350   3.597
   10    HA   ALA   2           HA       ALA   2  -3.204  -8.781   4.569
   11   1HB   ALA   2          1HB       ALA   2  -2.681  -8.457   2.198
   12   2HB   ALA   2          2HB       ALA   2  -2.205 -10.168   2.036
   13   3HB   ALA   2          3HB       ALA   2  -3.891  -9.733   2.391
   14    H    GLU   3           H        GLU   3  -3.126 -10.069   6.468
   15    HA   GLU   3           HA       GLU   3  -2.757 -12.981   6.167
   16   1HB   GLU   3          1HB       GLU   3  -3.324 -11.609   8.803
   17   2HB   GLU   3          2HB       GLU   3  -2.454 -13.115   8.501
   18   1HG   GLU   3          1HG       GLU   3  -1.027 -11.131   7.081
   19   2HG   GLU   3          2HG       GLU   3  -1.486 -10.340   8.583
   20    H    ALA   4           H        ALA   4  -5.287 -10.718   6.381
   21    HA   ALA   4           HA       ALA   4  -7.352 -12.838   6.443
   22   1HB   ALA   4          1HB       ALA   4  -8.901 -11.105   7.318
   23   2HB   ALA   4          2HB       ALA   4  -7.600 -11.467   8.472
   24   3HB   ALA   4          3HB       ALA   4  -7.545  -9.975   7.499
   25    H    GLU   5           H        GLU   5  -7.125 -13.088   4.287
   26    HA   GLU   5           HA       GLU   5  -6.409 -11.620   2.241
   27   1HB   GLU   5          1HB       GLU   5  -8.439 -13.854   2.344
   28   2HB   GLU   5          2HB       GLU   5  -7.789 -13.218   0.820
   29   1HG   GLU   5          1HG       GLU   5  -5.493 -13.682   1.526
   30   2HG   GLU   5          2HG       GLU   5  -6.038 -14.237   3.108
   31    H    PHE   6           H        PHE   6  -9.262 -10.667   3.733
   32    HA   PHE   6           HA       PHE   6 -10.996  -9.786   1.687
   33   1HB   PHE   6          1HB       PHE   6 -11.567  -9.767   4.071
   34   2HB   PHE   6          2HB       PHE   6 -10.292  -8.597   4.398
   35    HD1  PHE   6           1HD      PHE   6 -13.698  -9.064   3.042
   36    HD2  PHE   6           2HD      PHE   6 -10.507  -6.227   3.689
   37    HE1  PHE   6           1HE      PHE   6 -15.251  -7.190   2.552
   38    HE2  PHE   6           2HE      PHE   6 -12.049  -4.374   3.166
   39    HZ   PHE   6           HZ       PHE   6 -14.425  -4.842   2.600
   40    H    THR   7           H        THR   7 -11.146  -7.918   0.485
   41    HA   THR   7           HA       THR   7  -8.728  -6.875  -0.504
   42    HB   THR   7           HB       THR   7 -11.581  -5.909  -0.978
   43    HG1  THR   7           1HG      THR   7 -10.196  -8.197  -1.840
   44   1HG2  THR   7          1HG2      THR   7  -9.161  -6.002  -2.820
   45   2HG2  THR   7          2HG2      THR   7 -10.771  -5.367  -3.224
   46   3HG2  THR   7          3HG2      THR   7  -9.769  -4.537  -2.022
   47    H    ASP   8           H        ASP   8  -7.588  -5.744   1.093
   48    HA   ASP   8           HA       ASP   8  -8.631  -3.454   2.478
   49   1HB   ASP   8          1HB       ASP   8  -6.650  -4.560   3.311
   50   2HB   ASP   8          2HB       ASP   8  -5.811  -4.355   1.767
   51    H    ALA   9           H        ALA   9  -7.705  -1.281   2.134
   52    HA   ALA   9           HA       ALA   9  -8.479   0.035  -0.273
   53   1HB   ALA   9          1HB       ALA   9  -6.469   0.859   1.870
   54   2HB   ALA   9          2HB       ALA   9  -7.242   1.931   0.683
   55   3HB   ALA   9          3HB       ALA   9  -8.226   1.142   1.940
   56    H    CYS  10           H        CYS  10  -5.456  -1.670   0.570
   57    HA   CYS  10           HA       CYS  10  -3.633  -0.518  -1.147
   58   1HB   CYS  10          1HB       CYS  10  -2.458  -2.566  -0.955
   59   2HB   CYS  10          2HB       CYS  10  -3.356  -2.379   0.526
   60    H    VAL  11           H        VAL  11  -6.398  -2.607  -2.096
   61    HA   VAL  11           HA       VAL  11  -5.377  -2.969  -4.814
   62    HB   VAL  11           HB       VAL  11  -8.103  -3.531  -3.581
   63   1HG1  VAL  11          1HG1      VAL  11  -8.471  -5.106  -5.410
   64   2HG1  VAL  11          2HG1      VAL  11  -8.250  -3.487  -6.066
   65   3HG1  VAL  11          3HG1      VAL  11  -6.920  -4.667  -6.152
   66   1HG2  VAL  11          1HG2      VAL  11  -6.496  -4.868  -2.421
   67   2HG2  VAL  11          2HG2      VAL  11  -7.122  -5.948  -3.661
   68   3HG2  VAL  11          3HG2      VAL  11  -5.549  -5.177  -3.894
   69    H    LEU  12           H        LEU  12  -6.913  -0.393  -3.231
   70    HA   LEU  12           HA       LEU  12  -8.339   0.738  -5.474
   71   1HB   LEU  12          1HB       LEU  12  -9.514   1.181  -3.812
   72   2HB   LEU  12          2HB       LEU  12  -8.296   1.138  -2.566
   73    HG   LEU  12           HG       LEU  12  -7.784   3.548  -3.263
   74   1HD1  LEU  12          1HD1      LEU  12 -10.017   4.611  -4.266
   75   2HD1  LEU  12          2HD1      LEU  12  -8.784   4.003  -5.353
   76   3HD1  LEU  12          3HD1      LEU  12 -10.240   3.023  -5.007
   77   1HD2  LEU  12          1HD2      LEU  12  -8.993   2.892  -1.267
   78   2HD2  LEU  12          2HD2      LEU  12  -9.820   4.296  -1.967
   79   3HD2  LEU  12          3HD2      LEU  12 -10.498   2.670  -2.171
   80    HA   PRO  13           HA       PRO  13  -4.740   2.834  -7.037
   81   1HB   PRO  13          1HB       PRO  13  -6.800   4.913  -7.749
   82   2HB   PRO  13          2HB       PRO  13  -5.491   4.246  -8.767
   83   1HG   PRO  13          1HG       PRO  13  -8.070   3.379  -9.059
   84   2HG   PRO  13          2HG       PRO  13  -6.689   2.243  -9.177
   85   1HD   PRO  13          1HD       PRO  13  -8.617   2.591  -6.887
   86   2HD   PRO  13          2HD       PRO  13  -7.787   1.142  -7.450
   87    H    ALA  14           H        ALA  14  -3.571   4.782  -6.694
   88    HA   ALA  14           HA       ALA  14  -3.899   5.892  -3.986
   89   1HB   ALA  14          1HB       ALA  14  -1.725   6.338  -6.092
   90   2HB   ALA  14          2HB       ALA  14  -1.667   6.815  -4.384
   91   3HB   ALA  14          3HB       ALA  14  -1.677   5.101  -4.812
   92    H    VAL  15           H        VAL  15  -3.675   8.287  -3.703
   93    HA   VAL  15           HA       VAL  15  -4.439   9.991  -5.963
   94    HB   VAL  15           HB       VAL  15  -5.923   9.782  -3.328
   95   1HG1  VAL  15          1HG1      VAL  15  -6.128  12.040  -5.349
   96   2HG1  VAL  15          2HG1      VAL  15  -7.292  11.732  -4.042
   97   3HG1  VAL  15          3HG1      VAL  15  -5.640  12.143  -3.628
   98   1HG2  VAL  15          1HG2      VAL  15  -7.940   9.549  -4.737
   99   2HG2  VAL  15          2HG2      VAL  15  -6.948   9.712  -6.206
  100   3HG2  VAL  15          3HG2      VAL  15  -6.762   8.301  -5.153
  101    H    GLN  16           H        GLN  16  -3.611  12.034  -5.643
  102    HA   GLN  16           HA       GLN  16  -1.311  12.106  -3.770
  103   1HB   GLN  16          1HB       GLN  16  -1.747  14.083  -6.018
  104   2HB   GLN  16          2HB       GLN  16  -0.257  13.643  -5.175
  105   1HG   GLN  16          1HG       GLN  16  -0.646  11.269  -6.242
  106   2HG   GLN  16          2HG       GLN  16  -1.765  12.100  -7.313
  107   1HE2  GLN  16          1HE2      GLN  16   0.078  14.646  -7.267
  108   2HE2  GLN  16          2HE2      GLN  16   1.358  14.146  -8.352
  109    H    GLY  17           H        GLY  17  -4.353  13.660  -4.360
  110   1HA   GLY  17          1HA       GLY  17  -5.536  15.128  -3.077
  111   2HA   GLY  17          2HA       GLY  17  -4.119  15.462  -2.080
  112    HA   PRO  18           HA       PRO  18  -4.924  18.773  -5.376
  113   1HB   PRO  18          1HB       PRO  18  -5.967  20.831  -3.897
  114   2HB   PRO  18          2HB       PRO  18  -6.940  19.463  -4.510
  115   1HG   PRO  18          1HG       PRO  18  -5.715  19.777  -1.750
  116   2HG   PRO  18          2HG       PRO  18  -7.404  19.354  -2.182
  117   1HD   PRO  18          1HD       PRO  18  -5.548  17.451  -1.567
  118   2HD   PRO  18          2HD       PRO  18  -6.779  17.152  -2.806
  119    H    CYS  19           H        CYS  19  -2.804  18.428  -2.822
  120    HA   CYS  19           HA       CYS  19  -1.717  21.001  -2.375
  121   1HB   CYS  19          1HB       CYS  19  -0.436  18.251  -2.200
  122   2HB   CYS  19          2HB       CYS  19   0.255  19.696  -1.513
  123    H    ARG  20           H        ARG  20   0.736  21.288  -2.744
  124    HA   ARG  20           HA       ARG  20   1.647  20.555  -5.436
  125   1HB   ARG  20          1HB       ARG  20   1.307  23.395  -4.489
  126   2HB   ARG  20          2HB       ARG  20   2.588  22.946  -5.597
  127   1HG   ARG  20          1HG       ARG  20   1.190  23.045  -7.321
  128   2HG   ARG  20          2HG       ARG  20   0.256  21.712  -6.693
  129   1HD   ARG  20          1HD       ARG  20  -0.182  24.647  -6.065
  130   2HD   ARG  20          2HD       ARG  20  -1.074  23.702  -7.264
  131    HE   ARG  20           HE       ARG  20  -1.863  22.241  -5.403
  132   1HH1  ARG  20          2HH2      ARG  20  -1.056  25.637  -4.715
  133   2HH1  ARG  20          1HH2      ARG  20  -2.236  25.815  -3.464
  134   1HH2  ARG  20          2HH1      ARG  20  -3.439  22.494  -3.857
  135   2HH2  ARG  20          1HH1      ARG  20  -3.645  23.935  -2.913
  136    H    GLY  21           H        GLY  21   2.196  20.134  -2.507
  137   1HA   GLY  21          1HA       GLY  21   5.169  20.467  -2.477
  138   2HA   GLY  21          2HA       GLY  21   4.163  20.246  -0.999
  139    H    TRP  22           H        TRP  22   6.204  18.238  -2.066
  140    HA   TRP  22           HA       TRP  22   4.331  16.060  -2.775
  141   1HB   TRP  22          1HB       TRP  22   7.014  16.608  -4.025
  142   2HB   TRP  22          2HB       TRP  22   5.952  15.273  -4.393
  143    HD1  TRP  22           HD       TRP  22   6.969  18.301  -5.861
  144    HE1  TRP  22           1HE      TRP  22   5.242  19.520  -7.285
  145    HE3  TRP  22           3HE      TRP  22   2.716  15.890  -4.280
  146    HZ2  TRP  22           2HZ      TRP  22   2.370  19.474  -7.707
  147    HZ3  TRP  22           3HZ      TRP  22   0.517  16.519  -5.193
  148    HH2  TRP  22           HH       TRP  22   0.329  18.294  -6.915
  149    H    GLU  23           H        GLU  23   4.235  14.883  -1.183
  150    HA   GLU  23           HA       GLU  23   6.434  14.209   0.678
  151   1HB   GLU  23          1HB       GLU  23   4.375  15.119   1.622
  152   2HB   GLU  23          2HB       GLU  23   3.376  13.995   0.710
  153   1HG   GLU  23          1HG       GLU  23   3.386  13.279   2.935
  154   2HG   GLU  23          2HG       GLU  23   4.269  12.107   1.976
  155    HA   PRO  24           HA       PRO  24   6.375  10.396  -2.013
  156   1HB   PRO  24          1HB       PRO  24   8.573   9.166  -0.980
  157   2HB   PRO  24          2HB       PRO  24   8.678  10.547  -2.114
  158   1HG   PRO  24          1HG       PRO  24   8.897  10.602   0.912
  159   2HG   PRO  24          2HG       PRO  24   9.971  11.384  -0.291
  160   1HD   PRO  24          1HD       PRO  24   7.979  12.735   0.967
  161   2HD   PRO  24          2HD       PRO  24   8.379  13.075  -0.741
  162    H    ARG  25           H        ARG  25   5.079   8.795  -1.672
  163    HA   ARG  25           HA       ARG  25   5.125   7.354   0.923
  164   1HB   ARG  25          1HB       ARG  25   2.656   8.408  -0.524
  165   2HB   ARG  25          2HB       ARG  25   2.556   7.100   0.657
  166   1HG   ARG  25          1HG       ARG  25   3.665   9.876   1.257
  167   2HG   ARG  25          2HG       ARG  25   2.031   9.321   1.613
  168   1HD   ARG  25          1HD       ARG  25   2.901   7.535   3.053
  169   2HD   ARG  25          2HD       ARG  25   4.559   8.047   2.754
  170    HE   ARG  25           HE       ARG  25   2.504   9.475   4.325
  171   1HH1  ARG  25          2HH2      ARG  25   5.775   9.719   2.822
  172   2HH1  ARG  25          1HH2      ARG  25   6.179  11.091   3.725
  173   1HH2  ARG  25          2HH1      ARG  25   3.243  11.243   5.699
  174   2HH2  ARG  25          1HH1      ARG  25   4.725  11.993   5.259
  175    H    TRP  26           H        TRP  26   3.628   5.270   0.517
  176    HA   TRP  26           HA       TRP  26   4.647   3.998  -1.982
  177   1HB   TRP  26          1HB       TRP  26   4.600   3.071   0.917
  178   2HB   TRP  26          2HB       TRP  26   4.612   1.925  -0.417
  179    HD1  TRP  26           HD       TRP  26   6.823   4.712   1.098
  180    HE1  TRP  26           1HE      TRP  26   9.232   4.377   0.328
  181    HE3  TRP  26           3HE      TRP  26   6.114   0.672  -1.924
  182    HZ2  TRP  26           2HZ      TRP  26  10.673   2.595  -1.510
  183    HZ3  TRP  26           3HZ      TRP  26   7.911  -0.042  -3.494
  184    HH2  TRP  26           HH       TRP  26  10.205   0.722  -3.129
  185    H    ALA  27           H        ALA  27   3.023   2.873  -3.131
  186    HA   ALA  27           HA       ALA  27   0.486   2.359  -1.705
  187   1HB   ALA  27          1HB       ALA  27   0.672   3.763  -4.404
  188   2HB   ALA  27          2HB       ALA  27  -0.778   2.952  -3.805
  189   3HB   ALA  27          3HB       ALA  27  -0.149   4.328  -2.911
  190    H    TYR  28           H        TYR  28  -0.519   0.517  -2.365
  191    HA   TYR  28           HA       TYR  28   1.155  -1.436  -3.752
  192   1HB   TYR  28          1HB       TYR  28  -0.242  -2.027  -1.764
  193   2HB   TYR  28          2HB       TYR  28  -1.664  -1.634  -2.693
  194    HD1  TYR  28           1HD      TYR  28  -2.706  -3.318  -4.119
  195    HD2  TYR  28           2HD      TYR  28   1.250  -3.986  -2.536
  196    HE1  TYR  28           1HE      TYR  28  -2.790  -5.676  -4.857
  197    HE2  TYR  28           2HE      TYR  28   1.178  -6.302  -3.318
  198    HH   TYR  28           HH       TYR  28  -0.193  -7.983  -4.071
  199    H    SER  29           H        SER  29   0.770  -2.338  -5.745
  200    HA   SER  29           HA       SER  29  -1.453  -1.248  -7.354
  201   1HB   SER  29          1HB       SER  29   1.469  -1.545  -7.975
  202   2HB   SER  29          2HB       SER  29   0.326  -1.532  -9.289
  203    HG   SER  29           HG       SER  29  -0.161   0.265  -7.241
  204    HA   PRO  30           HA       PRO  30  -2.074  -5.743  -7.186
  205   1HB   PRO  30          1HB       PRO  30  -4.534  -5.808  -8.427
  206   2HB   PRO  30          2HB       PRO  30  -4.309  -5.416  -6.694
  207   1HG   PRO  30          1HG       PRO  30  -4.647  -3.505  -9.019
  208   2HG   PRO  30          2HG       PRO  30  -5.451  -3.453  -7.423
  209   1HD   PRO  30          1HD       PRO  30  -3.298  -1.923  -7.985
  210   2HD   PRO  30          2HD       PRO  30  -3.507  -2.640  -6.360
  211    H    LEU  31           H        LEU  31  -2.502  -3.584  -9.976
  212    HA   LEU  31           HA       LEU  31  -2.153  -5.495 -12.054
  213   1HB   LEU  31          1HB       LEU  31  -1.831  -2.512 -11.860
  214   2HB   LEU  31          2HB       LEU  31  -1.395  -3.369 -13.334
  215    HG   LEU  31           HG       LEU  31  -4.123  -3.738 -12.034
  216   1HD1  LEU  31          1HD1      LEU  31  -3.798  -1.372 -12.540
  217   2HD1  LEU  31          2HD1      LEU  31  -3.299  -1.781 -14.203
  218   3HD1  LEU  31          3HD1      LEU  31  -4.965  -2.107 -13.656
  219   1HD2  LEU  31          1HD2      LEU  31  -4.788  -4.433 -14.334
  220   2HD2  LEU  31          2HD2      LEU  31  -3.108  -4.244 -14.878
  221   3HD2  LEU  31          3HD2      LEU  31  -3.535  -5.490 -13.690
  222    H    LEU  32           H        LEU  32   0.158  -4.237  -9.785
  223    HA   LEU  32           HA       LEU  32   2.442  -5.278 -11.398
  224   1HB   LEU  32          1HB       LEU  32   2.077  -3.160  -9.289
  225   2HB   LEU  32          2HB       LEU  32   3.654  -3.843  -9.523
  226    HG   LEU  32           HG       LEU  32   2.103  -2.567 -11.815
  227   1HD1  LEU  32          1HD1      LEU  32   3.616  -0.612 -11.508
  228   2HD1  LEU  32          2HD1      LEU  32   2.513  -0.847 -10.152
  229   3HD1  LEU  32          3HD1      LEU  32   4.222  -1.339 -10.001
  230   1HD2  LEU  32          1HD2      LEU  32   4.337  -2.453 -12.899
  231   2HD2  LEU  32          2HD2      LEU  32   5.056  -3.297 -11.508
  232   3HD2  LEU  32          3HD2      LEU  32   3.881  -4.118 -12.551
  233    H    GLN  33           H        GLN  33   0.244  -6.054  -8.985
  234    HA   GLN  33           HA       GLN  33  -0.065  -7.150  -7.291
  235   1HB   GLN  33          1HB       GLN  33   0.632  -8.794  -9.163
  236   2HB   GLN  33          2HB       GLN  33   2.151  -8.967  -8.253
  237   1HG   GLN  33          1HG       GLN  33   0.553  -9.311  -6.238
  238   2HG   GLN  33          2HG       GLN  33  -0.681  -9.626  -7.411
  239   1HE2  GLN  33          1HE2      GLN  33   0.014 -11.228  -9.274
  240   2HE2  GLN  33          2HE2      GLN  33   0.826 -12.677  -8.691
  241    H    GLN  34           H        GLN  34   1.888  -4.924  -7.020
  242    HA   GLN  34           HA       GLN  34   2.978  -5.558  -4.447
  243   1HB   GLN  34          1HB       GLN  34   4.741  -6.591  -6.095
  244   2HB   GLN  34          2HB       GLN  34   5.181  -4.924  -6.450
  245   1HG   GLN  34          1HG       GLN  34   5.795  -4.528  -4.104
  246   2HG   GLN  34          2HG       GLN  34   5.101  -6.077  -3.626
  247   1HE2  GLN  34          1HE2      GLN  34   6.442  -7.912  -3.722
  248   2HE2  GLN  34          2HE2      GLN  34   8.058  -7.903  -4.423
  249    H    CYS  35           H        CYS  35   4.254  -3.681  -3.618
  250    HA   CYS  35           HA       CYS  35   2.947  -1.194  -4.368
  251   1HB   CYS  35          1HB       CYS  35   5.019  -1.843  -2.227
  252   2HB   CYS  35          2HB       CYS  35   4.135  -0.324  -2.402
  253    H    HIS  36           H        HIS  36   3.841   0.682  -4.758
  254    HA   HIS  36           HA       HIS  36   6.741   0.814  -5.417
  255   1HB   HIS  36          1HB       HIS  36   6.325   1.999  -7.521
  256   2HB   HIS  36          2HB       HIS  36   5.641   0.383  -7.559
  257    HD1  HIS  36           1HD      HIS  36   4.428   4.060  -7.072
  258    HD2  HIS  36           2HD      HIS  36   2.994   0.189  -8.113
  259    HE1  HIS  36           1HE      HIS  36   1.963   4.316  -7.750
  260    HE2  HIS  36           2HE      HIS  36   1.160   1.903  -8.395
  261    HA   PRO  37           HA       PRO  37   6.386   4.734  -3.288
  262   1HB   PRO  37          1HB       PRO  37   8.152   5.984  -5.367
  263   2HB   PRO  37          2HB       PRO  37   8.382   5.916  -3.594
  264   1HG   PRO  37          1HG       PRO  37   9.849   4.362  -5.317
  265   2HG   PRO  37          2HG       PRO  37   9.325   3.770  -3.715
  266   1HD   PRO  37          1HD       PRO  37   8.125   3.157  -6.406
  267   2HD   PRO  37          2HD       PRO  37   8.388   2.094  -5.008
  268    H    PHE  38           H        PHE  38   5.443   7.066  -3.704
  269    HA   PHE  38           HA       PHE  38   4.761   7.711  -6.401
  270   1HB   PHE  38          1HB       PHE  38   2.440   7.631  -6.369
  271   2HB   PHE  38          2HB       PHE  38   2.909   6.059  -5.776
  272    HD1  PHE  38           1HD      PHE  38   2.860   5.709  -3.159
  273    HD2  PHE  38           2HD      PHE  38   0.876   8.945  -5.206
  274    HE1  PHE  38           1HE      PHE  38   1.253   5.964  -1.260
  275    HE2  PHE  38           2HE      PHE  38  -0.652   9.216  -3.303
  276    HZ   PHE  38           HZ       PHE  38  -0.492   7.703  -1.332
  277    H    VAL  39           H        VAL  39   3.536   9.844  -6.391
  278    HA   VAL  39           HA       VAL  39   4.724  11.585  -4.337
  279    HB   VAL  39           HB       VAL  39   3.459  12.011  -7.085
  280   1HG1  VAL  39          1HG1      VAL  39   2.727  13.900  -5.813
  281   2HG1  VAL  39          2HG1      VAL  39   4.286  14.050  -4.997
  282   3HG1  VAL  39          3HG1      VAL  39   4.139  14.449  -6.727
  283   1HG2  VAL  39          1HG2      VAL  39   5.699  12.877  -7.657
  284   2HG2  VAL  39          2HG2      VAL  39   6.264  12.549  -6.005
  285   3HG2  VAL  39          3HG2      VAL  39   5.807  11.210  -7.082
  286    H    TYR  40           H        TYR  40   3.491  12.204  -2.657
  287    HA   TYR  40           HA       TYR  40   0.562  12.364  -2.930
  288   1HB   TYR  40          1HB       TYR  40   0.938  10.376  -1.716
  289   2HB   TYR  40          2HB       TYR  40   2.293  11.026  -0.843
  290    HD1  TYR  40           1HD      TYR  40   2.060  11.852   1.283
  291    HD2  TYR  40           2HD      TYR  40  -1.439  11.485  -1.220
  292    HE1  TYR  40           1HE      TYR  40   0.646  12.408   3.209
  293    HE2  TYR  40           2HE      TYR  40  -2.871  12.093   0.701
  294    HH   TYR  40           HH       TYR  40  -2.785  13.099   2.873
  295    H    GLY  41           H        GLY  41  -0.193  14.009  -1.093
  296   1HA   GLY  41          1HA       GLY  41   1.792  16.263  -1.102
  297   2HA   GLY  41          2HA       GLY  41   0.066  16.388  -1.365
  298    H    GLY  42           H        GLY  42   0.058  14.307   1.157
  299   1HA   GLY  42          1HA       GLY  42   0.108  14.593   3.496
  300   2HA   GLY  42          2HA       GLY  42   0.463  16.318   3.312
  301    H    CYS  43           H        CYS  43  -1.686  16.609   1.258
  302    HA   CYS  43           HA       CYS  43  -4.038  16.968   2.920
  303   1HB   CYS  43          1HB       CYS  43  -4.981  17.617   0.580
  304   2HB   CYS  43          2HB       CYS  43  -3.798  18.641   1.342
  305    H    GLU  44           H        GLU  44  -6.096  16.292   1.513
  306    HA   GLU  44           HA       GLU  44  -7.020  13.857   1.934
  307   1HB   GLU  44          1HB       GLU  44  -7.503  15.329  -0.670
  308   2HB   GLU  44          2HB       GLU  44  -8.537  14.123   0.083
  309   1HG   GLU  44          1HG       GLU  44  -9.589  16.026   0.772
  310   2HG   GLU  44          2HG       GLU  44  -8.541  15.760   2.155
  311    H    GLY  45           H        GLY  45  -6.832  11.737   1.216
  312   1HA   GLY  45          1HA       GLY  45  -6.003  11.033  -1.401
  313   2HA   GLY  45          2HA       GLY  45  -4.751  10.648  -0.203
  314    H    ASN  46           H        ASN  46  -5.688   8.394  -1.199
  315    HA   ASN  46           HA       ASN  46  -8.121   7.570   0.306
  316   1HB   ASN  46          1HB       ASN  46  -6.582   5.820  -1.625
  317   2HB   ASN  46          2HB       ASN  46  -8.189   5.583  -0.989
  318   1HD2  ASN  46          1HD2      ASN  46  -7.564   5.566  -3.879
  319   2HD2  ASN  46          2HD2      ASN  46  -8.513   6.917  -4.469
  320    H    GLY  47           H        GLY  47  -7.816   5.111   0.918
  321   1HA   GLY  47          1HA       GLY  47  -6.082   5.121   3.234
  322   2HA   GLY  47          2HA       GLY  47  -7.088   3.771   2.690
  323    H    ASN  48           H        ASN  48  -5.588   4.128  -0.051
  324    HA   ASN  48           HA       ASN  48  -3.433   2.234   0.479
  325   1HB   ASN  48          1HB       ASN  48  -4.858   2.138  -1.541
  326   2HB   ASN  48          2HB       ASN  48  -4.240   3.639  -2.126
  327   1HD2  ASN  48          1HD2      ASN  48  -3.916   1.635  -3.773
  328   2HD2  ASN  48          2HD2      ASN  48  -2.399   0.787  -3.761
  329    H    ASN  49           H        ASN  49  -2.494   3.792   2.068
  330    HA   ASN  49           HA       ASN  49  -0.368   5.375   0.719
  331   1HB   ASN  49          1HB       ASN  49  -2.266   6.898   1.421
  332   2HB   ASN  49          2HB       ASN  49  -2.055   6.359   3.077
  333   1HD2  ASN  49          1HD2      ASN  49  -1.446   8.880   1.131
  334   2HD2  ASN  49          2HD2      ASN  49  -0.029   9.542   1.876
  335    H    PHE  50           H        PHE  50   1.305   4.137   1.307
  336    HA   PHE  50           HA       PHE  50   1.572   3.208   4.087
  337   1HB   PHE  50          1HB       PHE  50   2.764   2.046   1.559
  338   2HB   PHE  50          2HB       PHE  50   3.040   1.442   3.119
  339    HD1  PHE  50           1HD      PHE  50   0.537   1.513   0.423
  340    HD2  PHE  50           2HD      PHE  50   1.074   0.694   4.631
  341    HE1  PHE  50           1HE      PHE  50  -1.689   0.408   0.521
  342    HE2  PHE  50           2HE      PHE  50  -1.206  -0.269   4.714
  343    HZ   PHE  50           HZ       PHE  50  -2.588  -0.415   2.661
  344    H    HIS  51           H        HIS  51   3.834   3.023   4.766
  345    HA   HIS  51           HA       HIS  51   5.059   5.684   4.203
  346   1HB   HIS  51          1HB       HIS  51   5.192   3.943   6.669
  347   2HB   HIS  51          2HB       HIS  51   5.748   5.588   6.460
  348    HD1  HIS  51           1HD      HIS  51   3.348   7.149   5.317
  349    HD2  HIS  51           2HD      HIS  51   2.777   3.512   7.349
  350    HE1  HIS  51           1HE      HIS  51   0.804   6.768   5.457
  351    HE2  HIS  51           2HE      HIS  51   0.459   4.606   6.739
  352    H    SER  52           H        SER  52   5.595   2.470   3.702
  353    HA   SER  52           HA       SER  52   8.396   2.878   2.921
  354   1HB   SER  52          1HB       SER  52   9.089   0.930   4.549
  355   2HB   SER  52          2HB       SER  52   8.977   2.581   5.159
  356    HG   SER  52           HG       SER  52   7.814   0.662   6.330
  357    H    ARG  53           H        ARG  53   9.335   0.967   2.015
  358    HA   ARG  53           HA       ARG  53   7.609  -0.506   0.255
  359   1HB   ARG  53          1HB       ARG  53   9.927   0.011  -0.253
  360   2HB   ARG  53          2HB       ARG  53  10.489  -0.917   1.119
  361   1HG   ARG  53          1HG       ARG  53  10.728  -1.994  -1.121
  362   2HG   ARG  53          2HG       ARG  53   9.969  -2.961   0.134
  363   1HD   ARG  53          1HD       ARG  53   7.708  -2.281  -0.966
  364   2HD   ARG  53          2HD       ARG  53   8.618  -1.587  -2.247
  365    HE   ARG  53           HE       ARG  53   8.910  -3.688  -3.120
  366   1HH1  ARG  53          2HH2      ARG  53   8.019  -4.171   0.350
  367   2HH1  ARG  53          1HH2      ARG  53   8.170  -5.895   0.176
  368   1HH2  ARG  53          2HH1      ARG  53   8.950  -5.955  -3.186
  369   2HH2  ARG  53          1HH1      ARG  53   8.603  -6.860  -1.732
  370    H    GLU  54           H        GLU  54   9.112  -1.194   3.334
  371    HA   GLU  54           HA       GLU  54   8.423  -3.897   3.795
  372   1HB   GLU  54          1HB       GLU  54  10.138  -2.909   5.001
  373   2HB   GLU  54          2HB       GLU  54   9.373  -1.404   5.213
  374   1HG   GLU  54          1HG       GLU  54   7.985  -3.511   6.759
  375   2HG   GLU  54          2HG       GLU  54   9.718  -3.474   7.098
  376    H    SER  55           H        SER  55   7.030  -1.152   5.536
  377    HA   SER  55           HA       SER  55   4.776  -2.395   6.338
  378   1HB   SER  55          1HB       SER  55   3.579  -0.268   6.598
  379   2HB   SER  55          2HB       SER  55   5.245  -0.193   7.174
  380    HG   SER  55           HG       SER  55   5.825   1.026   5.527
  381    H    CYS  56           H        CYS  56   5.114  -1.031   3.116
  382    HA   CYS  56           HA       CYS  56   2.348  -1.327   2.430
  383   1HB   CYS  56          1HB       CYS  56   4.294   0.031   1.349
  384   2HB   CYS  56          2HB       CYS  56   4.675  -1.416   0.470
  385    H    GLU  57           H        GLU  57   5.210  -3.406   1.704
  386    HA   GLU  57           HA       GLU  57   3.322  -5.403   0.598
  387   1HB   GLU  57          1HB       GLU  57   6.190  -5.843   1.295
  388   2HB   GLU  57          2HB       GLU  57   5.083  -7.191   1.077
  389   1HG   GLU  57          1HG       GLU  57   4.463  -6.095  -1.202
  390   2HG   GLU  57          2HG       GLU  57   5.961  -5.208  -1.033
  391    H    ASP  58           H        ASP  58   4.508  -4.794   3.911
  392    HA   ASP  58           HA       ASP  58   3.287  -7.241   4.794
  393   1HB   ASP  58          1HB       ASP  58   5.034  -5.989   6.128
  394   2HB   ASP  58          2HB       ASP  58   3.712  -4.930   6.668
  395    H    ALA  59           H        ALA  59   1.918  -4.075   3.868
  396    HA   ALA  59           HA       ALA  59  -0.655  -4.732   5.082
  397   1HB   ALA  59          1HB       ALA  59   0.003  -2.790   2.819
  398   2HB   ALA  59          2HB       ALA  59  -1.512  -2.900   3.730
  399   3HB   ALA  59          3HB       ALA  59  -0.017  -2.411   4.557
  400    H    CYS  60           H        CYS  60   0.604  -4.738   1.658
  401    HA   CYS  60           HA       CYS  60  -1.035  -7.114   1.060
  402   1HB   CYS  60          1HB       CYS  60  -1.071  -4.475  -0.384
  403   2HB   CYS  60          2HB       CYS  60  -1.572  -5.990  -1.122
  404    HA   PRO  61           HA       PRO  61   3.060  -7.719  -0.871
  405   1HB   PRO  61          1HB       PRO  61   3.355 -10.346  -0.330
  406   2HB   PRO  61          2HB       PRO  61   3.133  -9.214   1.024
  407   1HG   PRO  61          1HG       PRO  61   0.949 -10.810  -0.410
  408   2HG   PRO  61          2HG       PRO  61   1.362 -10.873   1.321
  409   1HD   PRO  61          1HD       PRO  61  -0.557  -9.196   0.325
  410   2HD   PRO  61          2HD       PRO  61   0.494  -8.707   1.691
  411    H    VAL  62           H        VAL  62   3.827  -9.782  -2.210
  412    HA   VAL  62           HA       VAL  62   2.227 -10.190  -4.695
  413    HB   VAL  62           HB       VAL  62   5.116 -10.735  -3.847
  414   1HG1  VAL  62          1HG1      VAL  62   5.685 -11.176  -6.273
  415   2HG1  VAL  62          2HG1      VAL  62   4.927 -12.488  -5.427
  416   3HG1  VAL  62          3HG1      VAL  62   3.968 -11.472  -6.548
  417   1HG2  VAL  62          1HG2      VAL  62   5.760  -9.082  -5.483
  418   2HG2  VAL  62          2HG2      VAL  62   4.117  -8.965  -6.084
  419   3HG2  VAL  62          3HG2      VAL  62   4.492  -8.373  -4.449
  420    H    VAL  63           H        VAL  63   3.182 -12.839  -5.098
  421    HA   VAL  63           HA       VAL  63   1.503 -14.518  -3.744
  422    HB   VAL  63           HB       VAL  63   4.288 -15.458  -4.403
  423   1HG1  VAL  63          1HG1      VAL  63   1.586 -16.853  -4.548
  424   2HG1  VAL  63          2HG1      VAL  63   3.142 -17.562  -5.030
  425   3HG1  VAL  63          3HG1      VAL  63   2.864 -17.140  -3.342
  426   1HG2  VAL  63          1HG2      VAL  63   3.440 -15.935  -6.736
  427   2HG2  VAL  63          2HG2      VAL  63   1.975 -15.002  -6.354
  428   3HG2  VAL  63          3HG2      VAL  63   3.562 -14.211  -6.408
  429    H    ASP  64           H        ASP  64   1.447 -15.585  -2.002
  430    HA   ASP  64           HA       ASP  64   1.650 -14.646   0.448
  431   1HB   ASP  64          1HB       ASP  64   0.444 -16.645  -0.410
  432   2HB   ASP  64          2HB       ASP  64   1.940 -17.574  -0.362
  433    H    HIS  65           H        HIS  65   3.414 -13.832   1.786
  434    HA   HIS  65           HA       HIS  65   5.935 -15.169   1.582
  435   1HB   HIS  65          1HB       HIS  65   5.334 -12.665   3.133
  436   2HB   HIS  65          2HB       HIS  65   6.838 -13.310   2.658
  437    HD1  HIS  65           1HD      HIS  65   5.209 -13.317  -0.596
  438    HD2  HIS  65           2HD      HIS  65   6.457 -10.352   2.161
  439    HE1  HIS  65           1HE      HIS  65   5.741 -11.224  -1.942
  440    HE2  HIS  65           2HE      HIS  65   6.490  -9.406  -0.322
  441    H    HIS  66           H        HIS  66   3.706 -13.835   4.081
  442    HA   HIS  66           HA       HIS  66   4.749 -15.508   6.297
  443   1HB   HIS  66          1HB       HIS  66   2.264 -13.745   5.965
  444   2HB   HIS  66          2HB       HIS  66   2.624 -14.647   7.414
  445    HD1  HIS  66           1HD      HIS  66   2.307 -12.449   8.760
  446    HD2  HIS  66           2HD      HIS  66   5.016 -12.090   5.585
  447    HE1  HIS  66           1HE      HIS  66   3.379 -10.225   9.014
  448    HE2  HIS  66           2HE      HIS  66   4.807  -9.883   7.028
  449    H    HIS  67           H        HIS  67   4.462 -17.445   4.750
  450    HA   HIS  67           HA       HIS  67   2.400 -18.266   3.433
  451   1HB   HIS  67          1HB       HIS  67   4.481 -19.810   4.750
  452   2HB   HIS  67          2HB       HIS  67   3.019 -20.745   4.431
  453    HD1  HIS  67           1HD      HIS  67   2.410 -21.289   1.910
  454    HD2  HIS  67           2HD      HIS  67   5.270 -18.224   2.446
  455    HE1  HIS  67           1HE      HIS  67   3.026 -20.481  -0.394
  456    HE2  HIS  67           2HE      HIS  67   4.686 -18.496  -0.029
  457    H    HIS  68           H        HIS  68   0.483 -17.697   3.777
  458    HA   HIS  68           HA       HIS  68  -1.166 -18.695   6.010
  459   1HB   HIS  68          1HB       HIS  68  -2.061 -17.305   3.438
  460   2HB   HIS  68          2HB       HIS  68  -2.951 -17.422   4.950
  461    HD1  HIS  68           1HD      HIS  68  -0.172 -15.391   3.263
  462    HD2  HIS  68           2HD      HIS  68  -1.864 -15.907   7.092
  463    HE1  HIS  68           1HE      HIS  68   0.495 -13.379   4.582
  464    HE2  HIS  68           2HE      HIS  68  -0.337 -13.808   7.014
  465    H    HIS  69           H        HIS  69  -0.232 -19.602   2.748
  466    HA   HIS  69           HA       HIS  69  -2.213 -21.829   2.685
  467   1HB   HIS  69          1HB       HIS  69  -1.394 -19.918   0.442
  468   2HB   HIS  69          2HB       HIS  69  -2.410 -21.334   0.215
  469    HD1  HIS  69           1HD      HIS  69  -3.982 -20.239   3.202
  470    HD2  HIS  69           2HD      HIS  69  -3.527 -18.507  -0.646
  471    HE1  HIS  69           1HE      HIS  69  -5.922 -18.555   2.861
  472    HE2  HIS  69           2HE      HIS  69  -5.592 -17.477   0.638
  473    H    HIS  70           H        HIS  70  -1.359 -23.003   0.380
  474    HA   HIS  70           HA       HIS  70   1.084 -24.348   1.154
  475   1HB   HIS  70          1HB       HIS  70  -0.738 -25.405  -0.249
  476   2HB   HIS  70          2HB       HIS  70  -0.359 -24.254  -1.540
  477    HD1  HIS  70           1HD      HIS  70   2.911 -24.684  -0.961
  478    HD2  HIS  70           2HD      HIS  70  -0.115 -27.465  -1.940
  479    HE1  HIS  70           1HE      HIS  70   4.104 -26.715  -2.077
  480    HE2  HIS  70           2HE      HIS  70   2.230 -28.406  -2.665
  Start of MODEL    4
    1   1H    GLU   1          1H        GLU   1 -15.708  -5.921  -9.535
    2   2H    GLU   1          2H        GLU   1 -14.610  -7.137  -9.849
    3   3H    GLU   1          H         GLU   1 -14.405  -5.636 -10.516
    4    HA   GLU   1           HA       GLU   1 -14.521  -5.981  -7.645
    5   1HB   GLU   1          1HB       GLU   1 -11.949  -5.965  -9.302
    6   2HB   GLU   1          2HB       GLU   1 -12.081  -5.876  -7.550
    7   1HG   GLU   1          1HG       GLU   1 -11.578  -8.088  -7.795
    8   2HG   GLU   1          2HG       GLU   1 -13.340  -8.175  -7.752
    9    H    ALA   2           H        ALA   2 -14.940  -3.905  -6.877
   10    HA   ALA   2           HA       ALA   2 -13.529  -1.622  -7.954
   11   1HB   ALA   2          1HB       ALA   2 -15.433  -1.826  -9.571
   12   2HB   ALA   2          2HB       ALA   2 -16.577  -1.860  -8.216
   13   3HB   ALA   2          3HB       ALA   2 -15.624  -0.395  -8.545
   14    H    GLU   3           H        GLU   3 -14.156   0.337  -6.631
   15    HA   GLU   3           HA       GLU   3 -14.406  -0.147  -3.851
   16   1HB   GLU   3          1HB       GLU   3 -14.871   2.355  -5.525
   17   2HB   GLU   3          2HB       GLU   3 -14.764   2.335  -3.756
   18   1HG   GLU   3          1HG       GLU   3 -12.464   1.502  -3.840
   19   2HG   GLU   3          2HG       GLU   3 -12.539   1.328  -5.591
   20    H    ALA   4           H        ALA   4 -16.813   0.084  -6.335
   21    HA   ALA   4           HA       ALA   4 -19.100   0.535  -4.565
   22   1HB   ALA   4          1HB       ALA   4 -20.393   0.210  -6.636
   23   2HB   ALA   4          2HB       ALA   4 -19.067   1.355  -6.914
   24   3HB   ALA   4          3HB       ALA   4 -18.937  -0.331  -7.490
   25    H    GLU   5           H        GLU   5 -17.113  -2.133  -4.947
   26    HA   GLU   5           HA       GLU   5 -19.317  -4.087  -4.448
   27   1HB   GLU   5          1HB       GLU   5 -16.607  -4.544  -5.781
   28   2HB   GLU   5          2HB       GLU   5 -17.770  -5.798  -5.368
   29   1HG   GLU   5          1HG       GLU   5 -19.255  -5.109  -7.116
   30   2HG   GLU   5          2HG       GLU   5 -18.409  -3.567  -7.338
   31    H    PHE   6           H        PHE   6 -15.775  -4.149  -4.197
   32    HA   PHE   6           HA       PHE   6 -15.498  -3.538  -1.460
   33   1HB   PHE   6          1HB       PHE   6 -16.218  -5.892  -1.228
   34   2HB   PHE   6          2HB       PHE   6 -15.022  -6.410  -2.408
   35    HD1  PHE   6           1HD      PHE   6 -15.345  -4.732   0.939
   36    HD2  PHE   6           2HD      PHE   6 -12.741  -6.820  -1.792
   37    HE1  PHE   6           1HE      PHE   6 -13.534  -4.713   2.640
   38    HE2  PHE   6           2HE      PHE   6 -10.939  -6.802  -0.084
   39    HZ   PHE   6           HZ       PHE   6 -11.327  -5.734   2.127
   40    H    THR   7           H        THR   7 -13.319  -2.816  -1.298
   41    HA   THR   7           HA       THR   7 -11.249  -3.784  -3.065
   42    HB   THR   7           HB       THR   7 -12.503  -1.037  -3.358
   43    HG1  THR   7           1HG      THR   7 -12.834  -3.026  -4.715
   44   1HG2  THR   7          1HG2      THR   7 -10.097  -0.586  -3.025
   45   2HG2  THR   7          2HG2      THR   7  -9.713  -1.738  -4.320
   46   3HG2  THR   7          3HG2      THR   7 -10.618  -0.263  -4.685
   47    H    ASP   8           H        ASP   8  -9.668  -4.088  -1.556
   48    HA   ASP   8           HA       ASP   8  -9.654  -2.638   1.007
   49   1HB   ASP   8          1HB       ASP   8  -8.760  -4.915   0.995
   50   2HB   ASP   8          2HB       ASP   8  -7.625  -4.495  -0.304
   51    H    ALA   9           H        ALA   9  -7.757  -1.282   1.565
   52    HA   ALA   9           HA       ALA   9  -7.351   0.889  -0.224
   53   1HB   ALA   9          1HB       ALA   9  -5.547  -0.093   2.024
   54   2HB   ALA   9          2HB       ALA   9  -5.369   1.441   1.165
   55   3HB   ALA   9          3HB       ALA   9  -6.826   1.154   2.138
   56    H    CYS  10           H        CYS  10  -5.442  -2.151   0.246
   57    HA   CYS  10           HA       CYS  10  -3.263  -1.198  -1.348
   58   1HB   CYS  10          1HB       CYS  10  -2.287  -3.231  -0.965
   59   2HB   CYS  10          2HB       CYS  10  -3.399  -3.106   0.379
   60    H    VAL  11           H        VAL  11  -6.372  -2.455  -2.306
   61    HA   VAL  11           HA       VAL  11  -5.499  -3.002  -5.077
   62    HB   VAL  11           HB       VAL  11  -8.194  -3.199  -3.667
   63   1HG1  VAL  11          1HG1      VAL  11  -8.534  -2.798  -6.098
   64   2HG1  VAL  11          2HG1      VAL  11  -7.459  -4.155  -6.472
   65   3HG1  VAL  11          3HG1      VAL  11  -8.998  -4.432  -5.634
   66   1HG2  VAL  11          1HG2      VAL  11  -6.647  -4.908  -2.863
   67   2HG2  VAL  11          2HG2      VAL  11  -7.862  -5.648  -3.902
   68   3HG2  VAL  11          3HG2      VAL  11  -6.226  -5.355  -4.530
   69    H    LEU  12           H        LEU  12  -6.895  -0.440  -3.089
   70    HA   LEU  12           HA       LEU  12  -8.220   0.960  -5.169
   71   1HB   LEU  12          1HB       LEU  12  -9.147   1.428  -3.352
   72   2HB   LEU  12          2HB       LEU  12  -7.716   1.345  -2.308
   73    HG   LEU  12           HG       LEU  12  -7.238   3.717  -2.993
   74   1HD1  LEU  12          1HD1      LEU  12  -9.565   4.826  -3.871
   75   2HD1  LEU  12          2HD1      LEU  12  -8.309   4.308  -4.994
   76   3HD1  LEU  12          3HD1      LEU  12  -9.722   3.280  -4.658
   77   1HD2  LEU  12          1HD2      LEU  12  -8.419   3.162  -0.925
   78   2HD2  LEU  12          2HD2      LEU  12  -9.145   4.625  -1.636
   79   3HD2  LEU  12          3HD2      LEU  12  -9.966   3.080  -1.800
   80    HA   PRO  13           HA       PRO  13  -4.788   2.944  -7.178
   81   1HB   PRO  13          1HB       PRO  13  -6.864   5.096  -7.557
   82   2HB   PRO  13          2HB       PRO  13  -5.717   4.432  -8.755
   83   1HG   PRO  13          1HG       PRO  13  -8.325   3.616  -8.731
   84   2HG   PRO  13          2HG       PRO  13  -6.996   2.451  -9.033
   85   1HD   PRO  13          1HD       PRO  13  -8.606   2.827  -6.516
   86   2HD   PRO  13          2HD       PRO  13  -7.911   1.360  -7.187
   87    H    ALA  14           H        ALA  14  -3.520   4.833  -6.999
   88    HA   ALA  14           HA       ALA  14  -3.472   6.007  -4.275
   89   1HB   ALA  14          1HB       ALA  14  -1.240   6.825  -4.952
   90   2HB   ALA  14          2HB       ALA  14  -1.363   5.071  -5.173
   91   3HB   ALA  14          3HB       ALA  14  -1.469   6.161  -6.582
   92    H    VAL  15           H        VAL  15  -3.705   8.243  -3.962
   93    HA   VAL  15           HA       VAL  15  -4.292   9.971  -6.296
   94    HB   VAL  15           HB       VAL  15  -5.840   9.607  -3.732
   95   1HG1  VAL  15          1HG1      VAL  15  -7.266  11.529  -4.321
   96   2HG1  VAL  15          2HG1      VAL  15  -5.641  11.986  -3.846
   97   3HG1  VAL  15          3HG1      VAL  15  -6.097  11.997  -5.579
   98   1HG2  VAL  15          1HG2      VAL  15  -7.784   9.380  -5.264
   99   2HG2  VAL  15          2HG2      VAL  15  -6.735   9.698  -6.662
  100   3HG2  VAL  15          3HG2      VAL  15  -6.526   8.221  -5.707
  101    H    GLN  16           H        GLN  16  -3.652  12.074  -5.943
  102    HA   GLN  16           HA       GLN  16  -1.292  12.319  -4.199
  103   1HB   GLN  16          1HB       GLN  16  -2.467  14.455  -6.039
  104   2HB   GLN  16          2HB       GLN  16  -0.929  14.478  -5.187
  105   1HG   GLN  16          1HG       GLN  16  -0.409  12.290  -6.550
  106   2HG   GLN  16          2HG       GLN  16  -1.743  12.823  -7.587
  107   1HE2  GLN  16          1HE2      GLN  16   1.526  13.466  -6.509
  108   2HE2  GLN  16          2HE2      GLN  16   1.764  14.952  -7.447
  109    H    GLY  17           H        GLY  17  -4.356  14.149  -4.668
  110   1HA   GLY  17          1HA       GLY  17  -5.676  14.641  -2.608
  111   2HA   GLY  17          2HA       GLY  17  -4.150  15.220  -1.909
  112    HA   PRO  18           HA       PRO  18  -6.171  18.659  -4.390
  113   1HB   PRO  18          1HB       PRO  18  -6.939  20.351  -2.368
  114   2HB   PRO  18          2HB       PRO  18  -7.960  19.024  -2.993
  115   1HG   PRO  18          1HG       PRO  18  -6.243  19.053  -0.512
  116   2HG   PRO  18          2HG       PRO  18  -7.897  18.413  -0.707
  117   1HD   PRO  18          1HD       PRO  18  -5.655  16.813  -0.786
  118   2HD   PRO  18          2HD       PRO  18  -7.126  16.442  -1.714
  119    H    CYS  19           H        CYS  19  -4.021  18.764  -1.502
  120    HA   CYS  19           HA       CYS  19  -2.903  21.307  -2.150
  121   1HB   CYS  19          1HB       CYS  19  -1.539  19.170  -0.505
  122   2HB   CYS  19          2HB       CYS  19  -1.327  20.891  -0.376
  123    H    ARG  20           H        ARG  20  -0.620  21.637  -2.529
  124    HA   ARG  20           HA       ARG  20   0.440  19.882  -4.699
  125   1HB   ARG  20          1HB       ARG  20   0.185  22.835  -4.693
  126   2HB   ARG  20          2HB       ARG  20   1.503  22.067  -5.555
  127   1HG   ARG  20          1HG       ARG  20  -0.364  22.453  -7.079
  128   2HG   ARG  20          2HG       ARG  20   0.004  20.752  -6.891
  129   1HD   ARG  20          1HD       ARG  20  -2.054  20.797  -5.210
  130   2HD   ARG  20          2HD       ARG  20  -2.466  22.256  -6.071
  131    HE   ARG  20           HE       ARG  20  -2.473  20.962  -8.117
  132   1HH1  ARG  20          2HH2      ARG  20  -2.392  18.881  -5.211
  133   2HH1  ARG  20          1HH2      ARG  20  -3.421  17.684  -5.827
  134   1HH2  ARG  20          2HH1      ARG  20  -3.750  19.231  -9.043
  135   2HH2  ARG  20          1HH1      ARG  20  -3.979  17.781  -8.130
  136    H    GLY  21           H        GLY  21   1.024  20.382  -1.741
  137   1HA   GLY  21          1HA       GLY  21   3.970  20.846  -1.729
  138   2HA   GLY  21          2HA       GLY  21   2.983  20.272  -0.337
  139    H    TRP  22           H        TRP  22   5.398  18.626  -1.249
  140    HA   TRP  22           HA       TRP  22   3.988  16.367  -2.469
  141   1HB   TRP  22          1HB       TRP  22   6.646  17.557  -3.320
  142   2HB   TRP  22          2HB       TRP  22   6.041  16.017  -3.857
  143    HD1  TRP  22           HD       TRP  22   6.716  18.866  -5.440
  144    HE1  TRP  22           1HE      TRP  22   5.065  19.699  -7.195
  145    HE3  TRP  22           3HE      TRP  22   2.533  16.218  -4.016
  146    HZ2  TRP  22           2HZ      TRP  22   2.333  19.218  -7.969
  147    HZ3  TRP  22           3HZ      TRP  22   0.436  16.460  -5.268
  148    HH2  TRP  22           HH       TRP  22   0.315  17.918  -7.270
  149    H    GLU  23           H        GLU  23   4.218  14.796  -1.357
  150    HA   GLU  23           HA       GLU  23   6.398  14.274   0.614
  151   1HB   GLU  23          1HB       GLU  23   4.460  15.136   1.727
  152   2HB   GLU  23          2HB       GLU  23   3.362  14.165   0.752
  153   1HG   GLU  23          1HG       GLU  23   3.300  13.251   2.858
  154   2HG   GLU  23          2HG       GLU  23   4.158  12.123   1.826
  155    HA   PRO  24           HA       PRO  24   6.389  10.498  -2.184
  156   1HB   PRO  24          1HB       PRO  24   8.537   9.253  -1.106
  157   2HB   PRO  24          2HB       PRO  24   8.692  10.673  -2.184
  158   1HG   PRO  24          1HG       PRO  24   8.794  10.619   0.846
  159   2HG   PRO  24          2HG       PRO  24   9.917  11.437  -0.286
  160   1HD   PRO  24          1HD       PRO  24   7.880  12.747   0.948
  161   2HD   PRO  24          2HD       PRO  24   8.357  13.158  -0.726
  162    H    ARG  25           H        ARG  25   5.246   8.830  -1.992
  163    HA   ARG  25           HA       ARG  25   5.068   7.347   0.556
  164   1HB   ARG  25          1HB       ARG  25   2.736   8.358  -1.142
  165   2HB   ARG  25          2HB       ARG  25   2.547   7.005  -0.022
  166   1HG   ARG  25          1HG       ARG  25   3.461   9.789   0.787
  167   2HG   ARG  25          2HG       ARG  25   1.827   9.142   0.951
  168   1HD   ARG  25          1HD       ARG  25   2.670   7.332   2.410
  169   2HD   ARG  25          2HD       ARG  25   4.307   7.981   2.312
  170    HE   ARG  25           HE       ARG  25   1.967   9.074   3.671
  171   1HH1  ARG  25          2HH2      ARG  25   5.342   9.655   2.593
  172   2HH1  ARG  25          1HH2      ARG  25   5.631  10.965   3.617
  173   1HH2  ARG  25          2HH1      ARG  25   2.327  11.049   4.951
  174   2HH2  ARG  25          1HH1      ARG  25   3.888  11.814   4.906
  175    H    TRP  26           H        TRP  26   3.788   5.282   0.041
  176    HA   TRP  26           HA       TRP  26   4.681   4.073  -2.490
  177   1HB   TRP  26          1HB       TRP  26   4.935   3.063   0.381
  178   2HB   TRP  26          2HB       TRP  26   4.996   1.988  -1.008
  179    HD1  TRP  26           HD       TRP  26   6.920   4.990   0.515
  180    HE1  TRP  26           1HE      TRP  26   9.325   4.965  -0.326
  181    HE3  TRP  26           3HE      TRP  26   6.650   0.878  -2.442
  182    HZ2  TRP  26           2HZ      TRP  26  10.850   3.545  -2.392
  183    HZ3  TRP  26           3HZ      TRP  26   8.445   0.436  -4.147
  184    HH2  TRP  26           HH       TRP  26  10.568   1.694  -4.053
  185    H    ALA  27           H        ALA  27   3.066   2.666  -3.352
  186    HA   ALA  27           HA       ALA  27   0.606   2.220  -1.786
  187   1HB   ALA  27          1HB       ALA  27   0.745   3.443  -4.584
  188   2HB   ALA  27          2HB       ALA  27  -0.709   2.692  -3.904
  189   3HB   ALA  27          3HB       ALA  27  -0.040   4.124  -3.131
  190    H    TYR  28           H        TYR  28  -0.363   0.257  -2.348
  191    HA   TYR  28           HA       TYR  28   1.387  -1.642  -3.755
  192   1HB   TYR  28          1HB       TYR  28   0.108  -2.200  -1.587
  193   2HB   TYR  28          2HB       TYR  28  -1.356  -2.055  -2.507
  194    HD1  TYR  28           1HD      TYR  28  -1.975  -3.797  -4.225
  195    HD2  TYR  28           2HD      TYR  28   1.446  -4.278  -1.645
  196    HE1  TYR  28           1HE      TYR  28  -1.886  -6.202  -4.748
  197    HE2  TYR  28           2HE      TYR  28   1.647  -6.613  -2.337
  198    HH   TYR  28           HH       TYR  28   0.374  -8.420  -3.253
  199    H    SER  29           H        SER  29   0.903  -2.625  -5.658
  200    HA   SER  29           HA       SER  29  -1.485  -1.790  -7.170
  201   1HB   SER  29          1HB       SER  29   1.417  -1.884  -7.969
  202   2HB   SER  29          2HB       SER  29   0.178  -1.897  -9.195
  203    HG   SER  29           HG       SER  29  -0.342  -0.165  -7.144
  204    HA   PRO  30           HA       PRO  30  -1.577  -6.330  -6.858
  205   1HB   PRO  30          1HB       PRO  30  -4.102  -6.739  -7.875
  206   2HB   PRO  30          2HB       PRO  30  -3.798  -6.231  -6.186
  207   1HG   PRO  30          1HG       PRO  30  -4.546  -4.502  -8.557
  208   2HG   PRO  30          2HG       PRO  30  -5.214  -4.466  -6.896
  209   1HD   PRO  30          1HD       PRO  30  -3.299  -2.721  -7.734
  210   2HD   PRO  30          2HD       PRO  30  -3.326  -3.337  -6.058
  211    H    LEU  31           H        LEU  31  -2.484  -4.358  -9.657
  212    HA   LEU  31           HA       LEU  31  -2.063  -6.298 -11.697
  213   1HB   LEU  31          1HB       LEU  31  -2.116  -3.293 -11.623
  214   2HB   LEU  31          2HB       LEU  31  -1.673  -4.147 -13.098
  215    HG   LEU  31           HG       LEU  31  -4.235  -4.796 -11.592
  216   1HD1  LEU  31          1HD1      LEU  31  -4.248  -2.435 -12.219
  217   2HD1  LEU  31          2HD1      LEU  31  -3.814  -2.864 -13.896
  218   3HD1  LEU  31          3HD1      LEU  31  -5.384  -3.363 -13.214
  219   1HD2  LEU  31          1HD2      LEU  31  -4.961  -5.679 -13.808
  220   2HD2  LEU  31          2HD2      LEU  31  -3.358  -5.315 -14.480
  221   3HD2  LEU  31          3HD2      LEU  31  -3.548  -6.544 -13.214
  222    H    LEU  32           H        LEU  32   0.223  -4.732  -9.618
  223    HA   LEU  32           HA       LEU  32   2.485  -5.548 -11.381
  224   1HB   LEU  32          1HB       LEU  32   2.047  -3.407  -9.315
  225   2HB   LEU  32          2HB       LEU  32   3.669  -3.920  -9.644
  226    HG   LEU  32           HG       LEU  32   1.819  -2.897 -11.836
  227   1HD1  LEU  32          1HD1      LEU  32   3.966  -1.413 -10.255
  228   2HD1  LEU  32          2HD1      LEU  32   3.139  -0.794 -11.705
  229   3HD1  LEU  32          3HD1      LEU  32   2.210  -1.095 -10.236
  230   1HD2  LEU  32          1HD2      LEU  32   3.665  -4.285 -12.695
  231   2HD2  LEU  32          2HD2      LEU  32   3.945  -2.596 -13.101
  232   3HD2  LEU  32          3HD2      LEU  32   4.844  -3.346 -11.759
  233    H    GLN  33           H        GLN  33   0.593  -6.479  -8.792
  234    HA   GLN  33           HA       GLN  33   0.740  -7.569  -6.897
  235   1HB   GLN  33          1HB       GLN  33   1.187  -9.245  -8.784
  236   2HB   GLN  33          2HB       GLN  33   2.879  -9.218  -8.295
  237   1HG   GLN  33          1HG       GLN  33   1.252  -9.557  -5.934
  238   2HG   GLN  33          2HG       GLN  33   0.607 -10.641  -7.155
  239   1HE2  GLN  33          1HE2      GLN  33   3.901  -9.634  -6.055
  240   2HE2  GLN  33          2HE2      GLN  33   4.531 -11.296  -6.006
  241    H    GLN  34           H        GLN  34   2.159  -5.185  -6.771
  242    HA   GLN  34           HA       GLN  34   4.142  -5.686  -4.705
  243   1HB   GLN  34          1HB       GLN  34   5.382  -6.196  -6.906
  244   2HB   GLN  34          2HB       GLN  34   5.060  -4.516  -7.356
  245   1HG   GLN  34          1HG       GLN  34   7.395  -5.154  -6.551
  246   2HG   GLN  34          2HG       GLN  34   6.669  -3.657  -6.014
  247   1HE2  GLN  34          1HE2      GLN  34   6.674  -7.140  -4.854
  248   2HE2  GLN  34          2HE2      GLN  34   7.119  -6.698  -3.214
  249    H    CYS  35           H        CYS  35   5.281  -3.473  -4.278
  250    HA   CYS  35           HA       CYS  35   3.237  -1.328  -4.504
  251   1HB   CYS  35          1HB       CYS  35   5.376  -1.700  -2.400
  252   2HB   CYS  35          2HB       CYS  35   4.238  -0.355  -2.506
  253    H    HIS  36           H        HIS  36   3.825   0.593  -5.086
  254    HA   HIS  36           HA       HIS  36   6.658   1.018  -6.019
  255   1HB   HIS  36          1HB       HIS  36   5.886   2.207  -8.008
  256   2HB   HIS  36          2HB       HIS  36   5.289   0.558  -7.996
  257    HD1  HIS  36           1HD      HIS  36   3.970   4.154  -7.232
  258    HD2  HIS  36           2HD      HIS  36   2.631   0.230  -8.233
  259    HE1  HIS  36           1HE      HIS  36   1.417   4.273  -7.603
  260    HE2  HIS  36           2HE      HIS  36   0.674   1.829  -8.207
  261    HA   PRO  37           HA       PRO  37   6.195   4.797  -3.731
  262   1HB   PRO  37          1HB       PRO  37   8.002   6.469  -5.064
  263   2HB   PRO  37          2HB       PRO  37   8.380   5.328  -3.755
  264   1HG   PRO  37          1HG       PRO  37   8.995   5.102  -6.637
  265   2HG   PRO  37          2HG       PRO  37   9.659   4.164  -5.263
  266   1HD   PRO  37          1HD       PRO  37   7.634   3.377  -7.159
  267   2HD   PRO  37          2HD       PRO  37   8.318   2.430  -5.812
  268    H    PHE  38           H        PHE  38   5.568   7.251  -4.102
  269    HA   PHE  38           HA       PHE  38   4.842   8.042  -6.724
  270   1HB   PHE  38          1HB       PHE  38   2.497   8.188  -6.618
  271   2HB   PHE  38          2HB       PHE  38   2.881   6.523  -6.303
  272    HD1  PHE  38           1HD      PHE  38   1.038   9.391  -5.203
  273    HD2  PHE  38           2HD      PHE  38   2.804   5.700  -3.813
  274    HE1  PHE  38           1HE      PHE  38  -0.540   9.340  -3.314
  275    HE2  PHE  38           2HE      PHE  38   1.184   5.690  -1.906
  276    HZ   PHE  38           HZ       PHE  38  -0.468   7.479  -1.652
  277    H    VAL  39           H        VAL  39   3.775  10.289  -6.553
  278    HA   VAL  39           HA       VAL  39   4.885  11.681  -4.175
  279    HB   VAL  39           HB       VAL  39   3.986  12.729  -6.899
  280   1HG1  VAL  39          1HG1      VAL  39   3.593  14.377  -5.133
  281   2HG1  VAL  39          2HG1      VAL  39   5.212  14.099  -4.472
  282   3HG1  VAL  39          3HG1      VAL  39   5.006  14.869  -6.069
  283   1HG2  VAL  39          1HG2      VAL  39   6.396  13.255  -7.208
  284   2HG2  VAL  39          2HG2      VAL  39   6.774  12.437  -5.680
  285   3HG2  VAL  39          3HG2      VAL  39   6.136  11.515  -7.063
  286    H    TYR  40           H        TYR  40   3.456  11.935  -2.606
  287    HA   TYR  40           HA       TYR  40   0.549  12.124  -3.127
  288   1HB   TYR  40          1HB       TYR  40   0.960  10.298  -1.721
  289   2HB   TYR  40          2HB       TYR  40   2.319  11.036  -0.950
  290    HD1  TYR  40           1HD      TYR  40   2.133  11.722   1.190
  291    HD2  TYR  40           2HD      TYR  40  -1.426  11.590  -1.241
  292    HE1  TYR  40           1HE      TYR  40   0.775  12.263   3.176
  293    HE2  TYR  40           2HE      TYR  40  -2.769  12.258   0.732
  294    HH   TYR  40           HH       TYR  40  -2.555  13.148   2.944
  295    H    GLY  41           H        GLY  41  -0.496  13.860  -1.677
  296   1HA   GLY  41          1HA       GLY  41   1.203  16.236  -1.851
  297   2HA   GLY  41          2HA       GLY  41  -0.524  16.213  -1.897
  298    H    GLY  42           H        GLY  42   0.474  14.216   0.634
  299   1HA   GLY  42          1HA       GLY  42   0.972  14.424   2.826
  300   2HA   GLY  42          2HA       GLY  42   1.271  16.152   2.645
  301    H    CYS  43           H        CYS  43  -1.397  16.756   1.603
  302    HA   CYS  43           HA       CYS  43  -3.046  16.502   4.024
  303   1HB   CYS  43          1HB       CYS  43  -4.323  18.263   3.181
  304   2HB   CYS  43          2HB       CYS  43  -2.656  18.681   2.872
  305    H    GLU  44           H        GLU  44  -5.572  16.392   2.978
  306    HA   GLU  44           HA       GLU  44  -6.396  13.889   3.047
  307   1HB   GLU  44          1HB       GLU  44  -7.563  15.808   1.029
  308   2HB   GLU  44          2HB       GLU  44  -8.336  14.416   1.784
  309   1HG   GLU  44          1HG       GLU  44  -9.160  16.138   3.042
  310   2HG   GLU  44          2HG       GLU  44  -7.845  15.578   4.052
  311    H    GLY  45           H        GLY  45  -6.439  11.974   1.826
  312   1HA   GLY  45          1HA       GLY  45  -6.270  11.800  -0.983
  313   2HA   GLY  45          2HA       GLY  45  -4.713  11.375  -0.262
  314    H    ASN  46           H        ASN  46  -5.430   9.121  -1.173
  315    HA   ASN  46           HA       ASN  46  -7.647   7.911   0.340
  316   1HB   ASN  46          1HB       ASN  46  -5.928   6.426  -1.652
  317   2HB   ASN  46          2HB       ASN  46  -7.516   6.029  -1.076
  318   1HD2  ASN  46          1HD2      ASN  46  -7.389   5.865  -3.756
  319   2HD2  ASN  46          2HD2      ASN  46  -8.291   7.222  -4.371
  320    H    GLY  47           H        GLY  47  -7.198   5.515   0.810
  321   1HA   GLY  47          1HA       GLY  47  -5.436   5.546   3.142
  322   2HA   GLY  47          2HA       GLY  47  -6.562   4.262   2.694
  323    H    ASN  48           H        ASN  48  -5.033   4.397  -0.109
  324    HA   ASN  48           HA       ASN  48  -3.055   2.327   0.564
  325   1HB   ASN  48          1HB       ASN  48  -4.596   2.364  -1.468
  326   2HB   ASN  48          2HB       ASN  48  -3.631   3.610  -2.135
  327   1HD2  ASN  48          1HD2      ASN  48  -3.789   1.363  -3.582
  328   2HD2  ASN  48          2HD2      ASN  48  -2.379   0.347  -3.548
  329    H    ASN  49           H        ASN  49  -2.038   3.932   2.037
  330    HA   ASN  49           HA       ASN  49  -0.039   5.672   0.650
  331   1HB   ASN  49          1HB       ASN  49  -2.153   6.835   1.444
  332   2HB   ASN  49          2HB       ASN  49  -1.772   6.339   3.077
  333   1HD2  ASN  49          1HD2      ASN  49  -1.637   8.850   0.978
  334   2HD2  ASN  49          2HD2      ASN  49  -0.381   9.807   1.699
  335    H    PHE  50           H        PHE  50   1.806   4.638   1.165
  336    HA   PHE  50           HA       PHE  50   2.296   3.724   3.967
  337   1HB   PHE  50          1HB       PHE  50   3.096   2.557   1.273
  338   2HB   PHE  50          2HB       PHE  50   3.865   2.033   2.694
  339    HD1  PHE  50           1HD      PHE  50   0.842   1.871   0.637
  340    HD2  PHE  50           2HD      PHE  50   2.405   0.918   4.557
  341    HE1  PHE  50           1HE      PHE  50  -1.058   0.351   1.035
  342    HE2  PHE  50           2HE      PHE  50   0.485  -0.597   4.936
  343    HZ   PHE  50           HZ       PHE  50  -1.258  -0.869   3.182
  344    H    HIS  51           H        HIS  51   4.466   4.010   4.760
  345    HA   HIS  51           HA       HIS  51   5.887   6.289   3.441
  346   1HB   HIS  51          1HB       HIS  51   6.103   4.977   6.181
  347   2HB   HIS  51          2HB       HIS  51   7.349   6.035   5.565
  348    HD1  HIS  51           1HD      HIS  51   6.918   8.649   5.596
  349    HD2  HIS  51           2HD      HIS  51   3.643   6.215   6.758
  350    HE1  HIS  51           1HE      HIS  51   5.218  10.197   6.717
  351    HE2  HIS  51           2HE      HIS  51   3.217   8.717   7.405
  352    H    SER  52           H        SER  52   5.987   2.850   3.323
  353    HA   SER  52           HA       SER  52   8.554   2.932   2.017
  354   1HB   SER  52          1HB       SER  52   9.412   1.074   3.633
  355   2HB   SER  52          2HB       SER  52   9.607   2.764   4.038
  356    HG   SER  52           HG       SER  52   7.358   1.235   4.982
  357    H    ARG  53           H        ARG  53   9.141   0.855   1.071
  358    HA   ARG  53           HA       ARG  53   6.972  -0.416  -0.112
  359   1HB   ARG  53          1HB       ARG  53   9.347  -0.154  -0.874
  360   2HB   ARG  53          2HB       ARG  53   9.758  -1.563   0.129
  361   1HG   ARG  53          1HG       ARG  53   8.184  -2.986  -1.070
  362   2HG   ARG  53          2HG       ARG  53   7.404  -1.584  -1.825
  363   1HD   ARG  53          1HD       ARG  53   8.764  -2.329  -3.510
  364   2HD   ARG  53          2HD       ARG  53   9.500  -0.924  -2.806
  365    HE   ARG  53           HE       ARG  53  11.367  -2.255  -2.255
  366   1HH1  ARG  53          2HH2      ARG  53   8.598  -4.402  -2.880
  367   2HH1  ARG  53          1HH2      ARG  53   9.263  -5.795  -2.200
  368   1HH2  ARG  53          2HH1      ARG  53  12.437  -4.255  -1.459
  369   2HH2  ARG  53          1HH1      ARG  53  11.532  -5.727  -1.537
  370    H    GLU  54           H        GLU  54   9.201  -1.635   2.539
  371    HA   GLU  54           HA       GLU  54   8.121  -4.164   2.590
  372   1HB   GLU  54          1HB       GLU  54  10.213  -3.191   3.745
  373   2HB   GLU  54          2HB       GLU  54   9.152  -2.787   5.095
  374   1HG   GLU  54          1HG       GLU  54   8.380  -5.122   5.242
  375   2HG   GLU  54          2HG       GLU  54   9.340  -5.568   3.830
  376    H    SER  55           H        SER  55   7.223  -1.415   4.687
  377    HA   SER  55           HA       SER  55   5.124  -2.561   6.108
  378   1HB   SER  55          1HB       SER  55   4.084  -0.166   5.957
  379   2HB   SER  55          2HB       SER  55   5.665  -0.385   6.720
  380    HG   SER  55           HG       SER  55   5.363   0.342   3.985
  381    H    CYS  56           H        CYS  56   5.005  -1.590   2.725
  382    HA   CYS  56           HA       CYS  56   2.091  -1.728   2.504
  383   1HB   CYS  56          1HB       CYS  56   3.706  -0.148   1.299
  384   2HB   CYS  56          2HB       CYS  56   4.417  -1.505   0.498
  385    H    GLU  57           H        GLU  57   4.886  -3.514   1.387
  386    HA   GLU  57           HA       GLU  57   3.487  -5.808   0.291
  387   1HB   GLU  57          1HB       GLU  57   6.194  -5.511   1.649
  388   2HB   GLU  57          2HB       GLU  57   5.594  -7.074   1.080
  389   1HG   GLU  57          1HG       GLU  57   5.538  -6.162  -1.237
  390   2HG   GLU  57          2HG       GLU  57   6.318  -4.687  -0.630
  391    H    ASP  58           H        ASP  58   4.322  -4.812   3.630
  392    HA   ASP  58           HA       ASP  58   3.737  -7.422   4.708
  393   1HB   ASP  58          1HB       ASP  58   5.287  -5.643   5.759
  394   2HB   ASP  58          2HB       ASP  58   3.801  -4.883   6.366
  395    H    ALA  59           H        ALA  59   1.863  -4.396   4.145
  396    HA   ALA  59           HA       ALA  59  -0.484  -5.312   5.518
  397   1HB   ALA  59          1HB       ALA  59  -0.118  -2.956   4.925
  398   2HB   ALA  59          2HB       ALA  59  -0.192  -3.355   3.192
  399   3HB   ALA  59          3HB       ALA  59  -1.627  -3.563   4.211
  400    H    CYS  60           H        CYS  60   0.308  -5.346   1.981
  401    HA   CYS  60           HA       CYS  60  -1.598  -7.621   1.662
  402   1HB   CYS  60          1HB       CYS  60  -1.028  -5.357  -0.197
  403   2HB   CYS  60          2HB       CYS  60  -1.537  -6.936  -0.805
  404    HA   PRO  61           HA       PRO  61   2.558  -9.242   1.158
  405   1HB   PRO  61          1HB       PRO  61   2.200 -11.741   2.154
  406   2HB   PRO  61          2HB       PRO  61   2.135 -10.285   3.180
  407   1HG   PRO  61          1HG       PRO  61  -0.205 -11.746   1.898
  408   2HG   PRO  61          2HG       PRO  61   0.022 -11.341   3.635
  409   1HD   PRO  61          1HD       PRO  61  -1.395  -9.730   1.967
  410   2HD   PRO  61          2HD       PRO  61  -0.345  -9.052   3.250
  411    H    VAL  62           H        VAL  62   3.435 -11.215   0.514
  412    HA   VAL  62           HA       VAL  62   2.713 -12.637  -1.926
  413    HB   VAL  62           HB       VAL  62   5.438 -11.351  -1.580
  414   1HG1  VAL  62          1HG1      VAL  62   3.937 -12.418  -4.021
  415   2HG1  VAL  62          2HG1      VAL  62   5.591 -11.763  -4.026
  416   3HG1  VAL  62          3HG1      VAL  62   5.241 -13.267  -3.186
  417   1HG2  VAL  62          1HG2      VAL  62   4.831  -9.647  -3.316
  418   2HG2  VAL  62          2HG2      VAL  62   3.129 -10.127  -3.157
  419   3HG2  VAL  62          3HG2      VAL  62   3.990  -9.385  -1.794
  420    H    VAL  63           H        VAL  63   5.283 -13.867  -1.621
  421    HA   VAL  63           HA       VAL  63   4.801 -15.755   0.438
  422    HB   VAL  63           HB       VAL  63   7.656 -14.994  -0.043
  423   1HG1  VAL  63          1HG1      VAL  63   8.019 -17.424   0.159
  424   2HG1  VAL  63          2HG1      VAL  63   7.181 -16.768   1.570
  425   3HG1  VAL  63          3HG1      VAL  63   6.269 -17.672   0.336
  426   1HG2  VAL  63          1HG2      VAL  63   5.913 -16.560  -2.014
  427   2HG2  VAL  63          2HG2      VAL  63   6.790 -15.046  -2.346
  428   3HG2  VAL  63          3HG2      VAL  63   7.688 -16.532  -2.056
  429    H    ASP  64           H        ASP  64   5.083 -15.729   2.551
  430    HA   ASP  64           HA       ASP  64   4.717 -13.296   3.913
  431   1HB   ASP  64          1HB       ASP  64   3.777 -15.334   4.792
  432   2HB   ASP  64          2HB       ASP  64   5.389 -16.028   5.054
  433    H    HIS  65           H        HIS  65   6.075 -11.712   4.526
  434    HA   HIS  65           HA       HIS  65   8.851 -11.727   4.569
  435   1HB   HIS  65          1HB       HIS  65   6.886 -10.220   6.383
  436   2HB   HIS  65          2HB       HIS  65   8.600  -9.900   6.267
  437    HD1  HIS  65           1HD      HIS  65   6.100  -7.928   5.615
  438    HD2  HIS  65           2HD      HIS  65   8.920  -9.753   3.019
  439    HE1  HIS  65           1HE      HIS  65   6.357  -6.399   3.575
  440    HE2  HIS  65           2HE      HIS  65   8.045  -7.482   1.976
  441    H    HIS  66           H        HIS  66   6.650 -12.113   7.338
  442    HA   HIS  66           HA       HIS  66   7.296 -14.372   8.455
  443   1HB   HIS  66          1HB       HIS  66   9.594 -12.634   9.141
  444   2HB   HIS  66          2HB       HIS  66   8.863 -13.408  10.521
  445    HD1  HIS  66           1HD      HIS  66   9.781 -14.766   7.017
  446    HD2  HIS  66           2HD      HIS  66  10.119 -15.568  11.140
  447    HE1  HIS  66           1HE      HIS  66  10.982 -17.056   7.212
  448    HE2  HIS  66           2HE      HIS  66  11.209 -17.520   9.747
  449    H    HIS  67           H        HIS  67   4.985 -13.320   8.322
  450    HA   HIS  67           HA       HIS  67   4.146 -11.744  10.654
  451   1HB   HIS  67          1HB       HIS  67   2.596 -13.367   8.580
  452   2HB   HIS  67          2HB       HIS  67   1.838 -12.485   9.893
  453    HD1  HIS  67           1HD      HIS  67   3.417 -11.918   6.521
  454    HD2  HIS  67           2HD      HIS  67   1.883  -9.706   9.783
  455    HE1  HIS  67           1HE      HIS  67   2.901  -9.471   5.670
  456    HE2  HIS  67           2HE      HIS  67   2.206  -8.164   7.692
  457    H    HIS  68           H        HIS  68   5.454 -13.315  12.108
  458    HA   HIS  68           HA       HIS  68   3.724 -15.566  13.033
  459   1HB   HIS  68          1HB       HIS  68   6.577 -15.689  11.983
  460   2HB   HIS  68          2HB       HIS  68   6.088 -16.763  13.272
  461    HD1  HIS  68           1HD      HIS  68   4.972 -18.952  12.634
  462    HD2  HIS  68           2HD      HIS  68   4.885 -15.989   9.592
  463    HE1  HIS  68           1HE      HIS  68   3.976 -20.059  10.515
  464    HE2  HIS  68           2HE      HIS  68   3.946 -18.203   8.673
  465    H    HIS  69           H        HIS  69   4.079 -16.120  15.126
  466    HA   HIS  69           HA       HIS  69   5.981 -14.534  16.818
  467   1HB   HIS  69          1HB       HIS  69   3.127 -15.261  17.590
  468   2HB   HIS  69          2HB       HIS  69   4.333 -14.566  18.666
  469    HD1  HIS  69           1HD      HIS  69   1.469 -13.139  17.692
  470    HD2  HIS  69           2HD      HIS  69   5.456 -12.280  16.531
  471    HE1  HIS  69           1HE      HIS  69   1.504 -10.697  16.884
  472    HE2  HIS  69           2HE      HIS  69   3.934 -10.192  16.184
  473    H    HIS  70           H        HIS  70   4.920 -17.344  15.622
  474    HA   HIS  70           HA       HIS  70   6.779 -19.195  16.347
  475   1HB   HIS  70          1HB       HIS  70   3.908 -19.487  17.392
  476   2HB   HIS  70          2HB       HIS  70   4.755 -20.854  16.687
  477    HD1  HIS  70           1HD      HIS  70   6.366 -18.314  19.145
  478    HD2  HIS  70           2HD      HIS  70   5.249 -22.376  18.733
  479    HE1  HIS  70           1HE      HIS  70   7.330 -19.561  21.199
  480    HE2  HIS  70           2HE      HIS  70   6.631 -22.037  20.935
  Start of MODEL    5
    1   1H    GLU   1          1H        GLU   1  -1.378   2.604   4.808
    2   2H    GLU   1          2H        GLU   1  -2.536   2.812   3.644
    3   3H    GLU   1          H         GLU   1  -1.981   1.302   3.949
    4    HA   GLU   1           HA       GLU   1  -2.820   1.473   6.218
    5   1HB   GLU   1          1HB       GLU   1  -4.474   3.780   5.199
    6   2HB   GLU   1          2HB       GLU   1  -4.332   3.152   6.838
    7   1HG   GLU   1          1HG       GLU   1  -2.371   4.856   5.287
    8   2HG   GLU   1          2HG       GLU   1  -3.196   5.236   6.782
    9    H    ALA   2           H        ALA   2  -5.785   1.863   5.967
   10    HA   ALA   2           HA       ALA   2  -6.481   0.087   3.741
   11   1HB   ALA   2          1HB       ALA   2  -6.373  -1.400   5.713
   12   2HB   ALA   2          2HB       ALA   2  -7.423  -0.278   6.621
   13   3HB   ALA   2          3HB       ALA   2  -8.057  -1.144   5.215
   14    H    GLU   3           H        GLU   3  -8.979   0.282   3.458
   15    HA   GLU   3           HA       GLU   3  -9.673   3.163   3.683
   16   1HB   GLU   3          1HB       GLU   3 -11.162   0.879   2.318
   17   2HB   GLU   3          2HB       GLU   3 -11.576   2.585   2.230
   18   1HG   GLU   3          1HG       GLU   3  -9.042   1.308   1.126
   19   2HG   GLU   3          2HG       GLU   3 -10.475   1.697   0.195
   20    H    ALA   4           H        ALA   4 -11.166  -0.023   4.316
   21    HA   ALA   4           HA       ALA   4 -12.583   1.051   6.689
   22   1HB   ALA   4          1HB       ALA   4 -13.647  -1.007   4.696
   23   2HB   ALA   4          2HB       ALA   4 -14.466  -0.455   6.176
   24   3HB   ALA   4          3HB       ALA   4 -14.200   0.679   4.841
   25    H    GLU   5           H        GLU   5 -13.259  -0.957   8.101
   26    HA   GLU   5           HA       GLU   5 -11.062  -2.376   9.050
   27   1HB   GLU   5          1HB       GLU   5 -14.018  -3.109   9.099
   28   2HB   GLU   5          2HB       GLU   5 -12.761  -3.932  10.035
   29   1HG   GLU   5          1HG       GLU   5 -12.185  -1.745  11.130
   30   2HG   GLU   5          2HG       GLU   5 -13.554  -1.001  10.287
   31    H    PHE   6           H        PHE   6 -13.214  -3.195   6.339
   32    HA   PHE   6           HA       PHE   6 -11.249  -5.250   5.561
   33   1HB   PHE   6          1HB       PHE   6 -13.059  -6.487   6.728
   34   2HB   PHE   6          2HB       PHE   6 -14.236  -5.817   5.606
   35    HD1  PHE   6           1HD      PHE   6 -14.478  -6.735   3.363
   36    HD2  PHE   6           2HD      PHE   6 -11.227  -8.008   5.892
   37    HE1  PHE   6           1HE      PHE   6 -13.951  -8.561   1.774
   38    HE2  PHE   6           2HE      PHE   6 -10.700  -9.836   4.297
   39    HZ   PHE   6           HZ       PHE   6 -12.065 -10.117   2.235
   40    H    THR   7           H        THR   7 -10.563  -3.728   4.203
   41    HA   THR   7           HA       THR   7 -11.124  -3.978   1.529
   42    HB   THR   7           HB       THR   7 -12.109  -1.311   2.647
   43    HG1  THR   7           1HG      THR   7 -13.588  -3.121   2.299
   44   1HG2  THR   7          1HG2      THR   7 -10.543  -0.911   0.733
   45   2HG2  THR   7          2HG2      THR   7 -11.414  -2.112  -0.233
   46   3HG2  THR   7          3HG2      THR   7 -12.212  -0.597   0.254
   47    H    ASP   8           H        ASP   8  -8.878  -4.390   1.555
   48    HA   ASP   8           HA       ASP   8  -7.154  -2.525   3.045
   49   1HB   ASP   8          1HB       ASP   8  -6.611  -5.004   2.859
   50   2HB   ASP   8          2HB       ASP   8  -6.150  -4.672   1.175
   51    H    ALA   9           H        ALA   9  -6.523  -0.739   2.176
   52    HA   ALA   9           HA       ALA   9  -7.465   0.445  -0.204
   53   1HB   ALA   9          1HB       ALA   9  -6.049   2.188   0.312
   54   2HB   ALA   9          2HB       ALA   9  -6.625   1.592   1.859
   55   3HB   ALA   9          3HB       ALA   9  -4.968   1.184   1.329
   56    H    CYS  10           H        CYS  10  -4.812  -1.809   0.253
   57    HA   CYS  10           HA       CYS  10  -3.137  -1.104  -1.873
   58   1HB   CYS  10          1HB       CYS  10  -2.289  -3.274  -1.708
   59   2HB   CYS  10          2HB       CYS  10  -2.936  -2.972  -0.110
   60    H    VAL  11           H        VAL  11  -6.403  -2.524  -2.065
   61    HA   VAL  11           HA       VAL  11  -6.130  -3.422  -4.812
   62    HB   VAL  11           HB       VAL  11  -8.607  -2.817  -3.133
   63   1HG1  VAL  11          1HG1      VAL  11  -8.304  -4.529  -5.644
   64   2HG1  VAL  11          2HG1      VAL  11  -9.761  -4.440  -4.626
   65   3HG1  VAL  11          3HG1      VAL  11  -9.219  -3.013  -5.506
   66   1HG2  VAL  11          1HG2      VAL  11  -7.075  -5.432  -3.537
   67   2HG2  VAL  11          2HG2      VAL  11  -7.221  -4.523  -2.019
   68   3HG2  VAL  11          3HG2      VAL  11  -8.647  -5.279  -2.716
   69    H    LEU  12           H        LEU  12  -6.617  -0.303  -3.397
   70    HA   LEU  12           HA       LEU  12  -8.097   0.888  -5.618
   71   1HB   LEU  12          1HB       LEU  12  -9.001   1.527  -3.628
   72   2HB   LEU  12          2HB       LEU  12  -7.509   1.447  -2.748
   73    HG   LEU  12           HG       LEU  12  -7.157   3.737  -4.307
   74   1HD1  LEU  12          1HD1      LEU  12  -9.656   3.537  -5.003
   75   2HD1  LEU  12          2HD1      LEU  12 -10.036   3.728  -3.286
   76   3HD1  LEU  12          3HD1      LEU  12  -9.201   5.030  -4.152
   77   1HD2  LEU  12          1HD2      LEU  12  -6.583   3.460  -2.008
   78   2HD2  LEU  12          2HD2      LEU  12  -7.677   4.839  -2.181
   79   3HD2  LEU  12          3HD2      LEU  12  -8.275   3.293  -1.550
   80    HA   PRO  13           HA       PRO  13  -4.468   2.679  -7.537
   81   1HB   PRO  13          1HB       PRO  13  -6.033   5.270  -7.436
   82   2HB   PRO  13          2HB       PRO  13  -5.158   4.550  -8.821
   83   1HG   PRO  13          1HG       PRO  13  -7.872   4.383  -8.623
   84   2HG   PRO  13          2HG       PRO  13  -6.907   2.993  -9.213
   85   1HD   PRO  13          1HD       PRO  13  -8.150   3.369  -6.483
   86   2HD   PRO  13          2HD       PRO  13  -7.943   1.901  -7.469
   87    H    ALA  14           H        ALA  14  -2.786   4.401  -7.201
   88    HA   ALA  14           HA       ALA  14  -2.380   5.036  -4.357
   89   1HB   ALA  14          1HB       ALA  14  -0.490   4.430  -5.925
   90   2HB   ALA  14          2HB       ALA  14  -0.808   5.918  -6.838
   91   3HB   ALA  14          3HB       ALA  14  -0.285   6.017  -5.145
   92    H    VAL  15           H        VAL  15  -3.581   6.780  -3.528
   93    HA   VAL  15           HA       VAL  15  -4.501   8.827  -5.451
   94    HB   VAL  15           HB       VAL  15  -5.174   8.761  -2.557
   95   1HG1  VAL  15          1HG1      VAL  15  -5.718  10.840  -3.703
   96   2HG1  VAL  15          2HG1      VAL  15  -6.609   9.941  -4.961
   97   3HG1  VAL  15          3HG1      VAL  15  -7.198   9.980  -3.288
   98   1HG2  VAL  15          1HG2      VAL  15  -5.934   6.573  -3.347
   99   2HG2  VAL  15          2HG2      VAL  15  -7.355   7.622  -3.327
  100   3HG2  VAL  15          3HG2      VAL  15  -6.552   7.289  -4.857
  101    H    GLN  16           H        GLN  16  -3.388  10.408  -5.717
  102    HA   GLN  16           HA       GLN  16  -1.056  11.189  -4.065
  103   1HB   GLN  16          1HB       GLN  16  -1.981  12.513  -6.641
  104   2HB   GLN  16          2HB       GLN  16  -0.435  12.705  -5.807
  105   1HG   GLN  16          1HG       GLN  16  -0.418  10.002  -6.114
  106   2HG   GLN  16          2HG       GLN  16  -1.443  10.404  -7.478
  107   1HE2  GLN  16          1HE2      GLN  16   0.024  12.986  -8.090
  108   2HE2  GLN  16          2HE2      GLN  16   1.558  12.442  -8.746
  109    H    GLY  17           H        GLY  17  -4.329  12.307  -4.591
  110   1HA   GLY  17          1HA       GLY  17  -5.547  13.645  -3.170
  111   2HA   GLY  17          2HA       GLY  17  -4.063  14.210  -2.372
  112    HA   PRO  18           HA       PRO  18  -5.455  17.268  -5.672
  113   1HB   PRO  18          1HB       PRO  18  -6.857  19.154  -4.323
  114   2HB   PRO  18          2HB       PRO  18  -7.562  17.553  -4.694
  115   1HG   PRO  18          1HG       PRO  18  -6.255  18.452  -2.101
  116   2HG   PRO  18          2HG       PRO  18  -7.842  17.651  -2.315
  117   1HD   PRO  18          1HD       PRO  18  -5.538  16.271  -1.713
  118   2HD   PRO  18          2HD       PRO  18  -6.853  15.566  -2.697
  119    H    CYS  19           H        CYS  19  -3.393  17.537  -2.954
  120    HA   CYS  19           HA       CYS  19  -2.883  20.365  -3.129
  121   1HB   CYS  19          1HB       CYS  19  -1.696  18.140  -1.517
  122   2HB   CYS  19          2HB       CYS  19  -0.907  19.691  -1.527
  123    H    ARG  20           H        ARG  20  -0.382  20.841  -2.915
  124    HA   ARG  20           HA       ARG  20   0.941  20.079  -5.446
  125   1HB   ARG  20          1HB       ARG  20   0.091  22.873  -4.667
  126   2HB   ARG  20          2HB       ARG  20   1.512  22.585  -5.651
  127   1HG   ARG  20          1HG       ARG  20   0.263  22.387  -7.480
  128   2HG   ARG  20          2HG       ARG  20  -0.516  20.957  -6.844
  129   1HD   ARG  20          1HD       ARG  20  -1.435  23.815  -6.375
  130   2HD   ARG  20          2HD       ARG  20  -2.055  22.738  -7.626
  131    HE   ARG  20           HE       ARG  20  -2.860  21.208  -5.863
  132   1HH1  ARG  20          2HH2      ARG  20  -2.406  24.619  -4.955
  133   2HH1  ARG  20          1HH2      ARG  20  -3.714  24.634  -3.825
  134   1HH2  ARG  20          2HH1      ARG  20  -4.595  21.253  -4.460
  135   2HH2  ARG  20          1HH1      ARG  20  -4.999  22.625  -3.486
  136    H    GLY  21           H        GLY  21   1.260  19.860  -2.468
  137   1HA   GLY  21          1HA       GLY  21   4.106  20.705  -2.110
  138   2HA   GLY  21          2HA       GLY  21   2.986  20.259  -0.765
  139    H    TRP  22           H        TRP  22   5.449  18.525  -1.483
  140    HA   TRP  22           HA       TRP  22   4.012  16.188  -2.531
  141   1HB   TRP  22          1HB       TRP  22   6.728  17.157  -3.467
  142   2HB   TRP  22          2HB       TRP  22   5.911  15.708  -3.999
  143    HD1  TRP  22           HD       TRP  22   6.750  18.827  -5.297
  144    HE1  TRP  22           1HE      TRP  22   5.109  19.865  -6.956
  145    HE3  TRP  22           3HE      TRP  22   2.625  15.945  -4.308
  146    HZ2  TRP  22           2HZ      TRP  22   2.368  19.461  -7.813
  147    HZ3  TRP  22           3HZ      TRP  22   0.530  16.289  -5.566
  148    HH2  TRP  22           HH       TRP  22   0.389  18.028  -7.321
  149    H    GLU  23           H        GLU  23   4.197  14.728  -1.231
  150    HA   GLU  23           HA       GLU  23   6.340  14.385   0.803
  151   1HB   GLU  23          1HB       GLU  23   4.302  15.270   1.731
  152   2HB   GLU  23          2HB       GLU  23   3.302  14.158   0.810
  153   1HG   GLU  23          1HG       GLU  23   3.235  13.463   3.037
  154   2HG   GLU  23          2HG       GLU  23   4.133  12.266   2.123
  155    HA   PRO  24           HA       PRO  24   6.523  10.505  -1.758
  156   1HB   PRO  24          1HB       PRO  24   8.694   9.355  -0.576
  157   2HB   PRO  24          2HB       PRO  24   8.817  10.714  -1.737
  158   1HG   PRO  24          1HG       PRO  24   8.866  10.846   1.294
  159   2HG   PRO  24          2HG       PRO  24   9.984  11.632   0.133
  160   1HD   PRO  24          1HD       PRO  24   7.895  12.957   1.238
  161   2HD   PRO  24          2HD       PRO  24   8.361  13.255  -0.460
  162    H    ARG  25           H        ARG  25   5.249   8.886  -1.475
  163    HA   ARG  25           HA       ARG  25   5.184   7.443   1.119
  164   1HB   ARG  25          1HB       ARG  25   2.769   8.447  -0.456
  165   2HB   ARG  25          2HB       ARG  25   2.639   7.159   0.737
  166   1HG   ARG  25          1HG       ARG  25   3.642   9.975   1.359
  167   2HG   ARG  25          2HG       ARG  25   2.022   9.366   1.654
  168   1HD   ARG  25          1HD       ARG  25   2.920   7.586   3.105
  169   2HD   ARG  25          2HD       ARG  25   4.559   8.186   2.892
  170    HE   ARG  25           HE       ARG  25   2.397   9.391   4.444
  171   1HH1  ARG  25          2HH2      ARG  25   5.676   9.885   3.026
  172   2HH1  ARG  25          1HH2      ARG  25   5.986  11.292   3.929
  173   1HH2  ARG  25          2HH1      ARG  25   2.942  11.301   5.751
  174   2HH2  ARG  25          1HH1      ARG  25   4.416  12.127   5.394
  175    H    TRP  26           H        TRP  26   3.799   5.339   0.697
  176    HA   TRP  26           HA       TRP  26   4.818   4.116  -1.837
  177   1HB   TRP  26          1HB       TRP  26   4.739   3.105   1.027
  178   2HB   TRP  26          2HB       TRP  26   4.776   1.999  -0.342
  179    HD1  TRP  26           HD       TRP  26   6.929   4.743   1.307
  180    HE1  TRP  26           1HE      TRP  26   9.352   4.489   0.537
  181    HE3  TRP  26           3HE      TRP  26   6.294   0.894  -1.969
  182    HZ2  TRP  26           2HZ      TRP  26  10.831   2.840  -1.387
  183    HZ3  TRP  26           3HZ      TRP  26   8.132   0.255  -3.516
  184    HH2  TRP  26           HH       TRP  26  10.409   1.053  -3.110
  185    H    ALA  27           H        ALA  27   3.314   2.774  -2.962
  186    HA   ALA  27           HA       ALA  27   0.715   2.285  -1.674
  187   1HB   ALA  27          1HB       ALA  27   0.158   4.294  -2.892
  188   2HB   ALA  27          2HB       ALA  27   1.041   3.723  -4.340
  189   3HB   ALA  27          3HB       ALA  27  -0.457   2.934  -3.822
  190    H    TYR  28           H        TYR  28  -0.316   0.489  -2.507
  191    HA   TYR  28           HA       TYR  28   1.424  -1.396  -3.975
  192   1HB   TYR  28          1HB       TYR  28  -0.048  -2.101  -2.016
  193   2HB   TYR  28          2HB       TYR  28  -1.427  -1.752  -3.040
  194    HD1  TYR  28           1HD      TYR  28  -2.141  -3.275  -4.797
  195    HD2  TYR  28           2HD      TYR  28   1.467  -4.096  -2.584
  196    HE1  TYR  28           1HE      TYR  28  -2.088  -5.569  -5.698
  197    HE2  TYR  28           2HE      TYR  28   1.622  -6.287  -3.614
  198    HH   TYR  28           HH       TYR  28   0.443  -7.892  -4.787
  199    H    SER  29           H        SER  29   1.013  -2.099  -6.048
  200    HA   SER  29           HA       SER  29  -1.234  -0.850  -7.528
  201   1HB   SER  29          1HB       SER  29   1.685  -1.134  -8.188
  202   2HB   SER  29          2HB       SER  29   0.543  -0.951  -9.487
  203    HG   SER  29           HG       SER  29   0.089   0.647  -7.280
  204    HA   PRO  30           HA       PRO  30  -1.828  -5.346  -7.839
  205   1HB   PRO  30          1HB       PRO  30  -4.341  -5.288  -8.978
  206   2HB   PRO  30          2HB       PRO  30  -4.038  -5.144  -7.218
  207   1HG   PRO  30          1HG       PRO  30  -4.569  -2.946  -9.223
  208   2HG   PRO  30          2HG       PRO  30  -5.224  -3.128  -7.564
  209   1HD   PRO  30          1HD       PRO  30  -3.129  -1.483  -8.158
  210   2HD   PRO  30          2HD       PRO  30  -3.239  -2.340  -6.594
  211    H    LEU  31           H        LEU  31  -2.361  -2.874 -10.300
  212    HA   LEU  31           HA       LEU  31  -2.071  -4.478 -12.630
  213   1HB   LEU  31          1HB       LEU  31  -1.715  -1.555 -12.032
  214   2HB   LEU  31          2HB       LEU  31  -1.324  -2.203 -13.621
  215    HG   LEU  31           HG       LEU  31  -4.023  -2.729 -12.318
  216   1HD1  LEU  31          1HD1      LEU  31  -4.883  -0.878 -13.676
  217   2HD1  LEU  31          2HD1      LEU  31  -3.684  -0.318 -12.494
  218   3HD1  LEU  31          3HD1      LEU  31  -3.224  -0.493 -14.209
  219   1HD2  LEU  31          1HD2      LEU  31  -3.492  -4.234 -14.218
  220   2HD2  LEU  31          2HD2      LEU  31  -4.752  -3.091 -14.674
  221   3HD2  LEU  31          3HD2      LEU  31  -3.085  -2.837 -15.230
  222    H    LEU  32           H        LEU  32   0.289  -3.600 -10.241
  223    HA   LEU  32           HA       LEU  32   2.514  -4.452 -12.035
  224   1HB   LEU  32          1HB       LEU  32   2.287  -2.566  -9.696
  225   2HB   LEU  32          2HB       LEU  32   3.833  -3.248 -10.089
  226    HG   LEU  32           HG       LEU  32   2.194  -1.702 -12.135
  227   1HD1  LEU  32          1HD1      LEU  32   2.732  -0.193 -10.299
  228   2HD1  LEU  32          2HD1      LEU  32   4.436  -0.722 -10.313
  229   3HD1  LEU  32          3HD1      LEU  32   3.758   0.185 -11.684
  230   1HD2  LEU  32          1HD2      LEU  32   4.376  -1.494 -13.312
  231   2HD2  LEU  32          2HD2      LEU  32   5.143  -2.512 -12.070
  232   3HD2  LEU  32          3HD2      LEU  32   3.893  -3.179 -13.141
  233    H    GLN  33           H        GLN  33   0.406  -5.441  -9.653
  234    HA   GLN  33           HA       GLN  33   0.294  -6.788  -7.941
  235   1HB   GLN  33          1HB       GLN  33   0.700  -8.246 -10.013
  236   2HB   GLN  33          2HB       GLN  33   2.341  -8.484  -9.422
  237   1HG   GLN  33          1HG       GLN  33   0.490  -8.947  -7.252
  238   2HG   GLN  33          2HG       GLN  33  -0.139  -9.783  -8.657
  239   1HE2  GLN  33          1HE2      GLN  33   3.151  -9.302  -7.211
  240   2HE2  GLN  33          2HE2      GLN  33   3.580 -11.020  -7.314
  241    H    GLN  34           H        GLN  34   2.013  -4.595  -7.427
  242    HA   GLN  34           HA       GLN  34   3.787  -5.663  -5.344
  243   1HB   GLN  34          1HB       GLN  34   4.948  -5.859  -7.734
  244   2HB   GLN  34          2HB       GLN  34   5.088  -4.095  -7.579
  245   1HG   GLN  34          1HG       GLN  34   6.450  -4.354  -5.574
  246   2HG   GLN  34          2HG       GLN  34   6.295  -6.114  -5.679
  247   1HE2  GLN  34          1HE2      GLN  34   6.638  -6.281  -8.628
  248   2HE2  GLN  34          2HE2      GLN  34   8.324  -5.883  -8.907
  249    H    CYS  35           H        CYS  35   5.013  -3.788  -4.341
  250    HA   CYS  35           HA       CYS  35   3.372  -1.284  -4.455
  251   1HB   CYS  35          1HB       CYS  35   5.355  -2.264  -2.409
  252   2HB   CYS  35          2HB       CYS  35   4.683  -0.638  -2.413
  253    H    HIS  36           H        HIS  36   4.225   0.690  -4.634
  254    HA   HIS  36           HA       HIS  36   7.087   0.972  -5.388
  255   1HB   HIS  36          1HB       HIS  36   6.637   2.202  -7.418
  256   2HB   HIS  36          2HB       HIS  36   5.904   0.615  -7.519
  257    HD1  HIS  36           1HD      HIS  36   4.860   4.316  -6.940
  258    HD2  HIS  36           2HD      HIS  36   3.226   0.542  -8.056
  259    HE1  HIS  36           1HE      HIS  36   2.435   4.721  -7.675
  260    HE2  HIS  36           2HE      HIS  36   1.494   2.360  -8.330
  261    HA   PRO  37           HA       PRO  37   6.532   4.751  -3.054
  262   1HB   PRO  37          1HB       PRO  37   8.485   6.346  -4.409
  263   2HB   PRO  37          2HB       PRO  37   8.688   5.435  -2.895
  264   1HG   PRO  37          1HG       PRO  37   9.880   4.842  -5.452
  265   2HG   PRO  37          2HG       PRO  37   9.953   3.865  -3.963
  266   1HD   PRO  37          1HD       PRO  37   8.261   3.495  -6.359
  267   2HD   PRO  37          2HD       PRO  37   8.742   2.315  -5.113
  268    H    PHE  38           H        PHE  38   5.785   7.149  -3.491
  269    HA   PHE  38           HA       PHE  38   5.280   7.857  -6.217
  270   1HB   PHE  38          1HB       PHE  38   2.967   7.714  -6.347
  271   2HB   PHE  38          2HB       PHE  38   3.420   6.148  -5.728
  272    HD1  PHE  38           1HD      PHE  38   1.381   9.041  -5.266
  273    HD2  PHE  38           2HD      PHE  38   3.164   5.765  -3.108
  274    HE1  PHE  38           1HE      PHE  38  -0.353   9.238  -3.527
  275    HE2  PHE  38           2HE      PHE  38   1.394   6.003  -1.363
  276    HZ   PHE  38           HZ       PHE  38  -0.373   7.700  -1.589
  277    H    VAL  39           H        VAL  39   3.786   9.934  -6.145
  278    HA   VAL  39           HA       VAL  39   4.899  11.638  -3.987
  279    HB   VAL  39           HB       VAL  39   3.923  12.145  -6.834
  280   1HG1  VAL  39          1HG1      VAL  39   4.521  14.137  -4.624
  281   2HG1  VAL  39          2HG1      VAL  39   4.537  14.569  -6.354
  282   3HG1  VAL  39          3HG1      VAL  39   3.050  13.988  -5.600
  283   1HG2  VAL  39          1HG2      VAL  39   6.204  13.042  -7.138
  284   2HG2  VAL  39          2HG2      VAL  39   6.595  12.662  -5.448
  285   3HG2  VAL  39          3HG2      VAL  39   6.265  11.357  -6.610
  286    H    TYR  40           H        TYR  40   3.500  11.939  -2.348
  287    HA   TYR  40           HA       TYR  40   0.582  11.986  -2.896
  288   1HB   TYR  40          1HB       TYR  40   0.953  10.224  -1.404
  289   2HB   TYR  40          2HB       TYR  40   2.283  11.022  -0.606
  290    HD1  TYR  40           1HD      TYR  40   1.977  11.876   1.478
  291    HD2  TYR  40           2HD      TYR  40  -1.440  11.528  -1.139
  292    HE1  TYR  40           1HE      TYR  40   0.527  12.654   3.297
  293    HE2  TYR  40           2HE      TYR  40  -2.902  12.400   0.657
  294    HH   TYR  40           HH       TYR  40  -2.869  13.513   2.716
  295    H    GLY  41           H        GLY  41  -0.505  13.817  -1.852
  296   1HA   GLY  41          1HA       GLY  41   1.213  16.154  -1.972
  297   2HA   GLY  41          2HA       GLY  41  -0.511  16.137  -2.058
  298    H    GLY  42           H        GLY  42   0.322  14.384   0.722
  299   1HA   GLY  42          1HA       GLY  42   0.497  14.876   2.951
  300   2HA   GLY  42          2HA       GLY  42   1.082  16.484   2.527
  301    H    CYS  43           H        CYS  43  -1.890  16.052   1.079
  302    HA   CYS  43           HA       CYS  43  -3.550  16.878   3.345
  303   1HB   CYS  43          1HB       CYS  43  -4.584  18.581   2.225
  304   2HB   CYS  43          2HB       CYS  43  -2.888  18.811   1.905
  305    H    GLU  44           H        GLU  44  -6.000  16.787   2.002
  306    HA   GLU  44           HA       GLU  44  -6.997  14.391   2.516
  307   1HB   GLU  44          1HB       GLU  44  -7.805  15.807  -0.026
  308   2HB   GLU  44          2HB       GLU  44  -8.750  14.705   0.968
  309   1HG   GLU  44          1HG       GLU  44  -9.583  16.692   1.669
  310   2HG   GLU  44          2HG       GLU  44  -8.351  16.449   2.889
  311    H    GLY  45           H        GLY  45  -6.990  12.275   1.770
  312   1HA   GLY  45          1HA       GLY  45  -6.385  11.413  -0.876
  313   2HA   GLY  45          2HA       GLY  45  -5.010  11.234   0.232
  314    H    ASN  46           H        ASN  46  -6.207   8.933  -0.737
  315    HA   ASN  46           HA       ASN  46  -8.011   7.919   1.392
  316   1HB   ASN  46          1HB       ASN  46  -6.956   6.546  -1.088
  317   2HB   ASN  46          2HB       ASN  46  -8.116   5.888   0.023
  318   1HD2  ASN  46          1HD2      ASN  46  -9.879   5.526  -1.127
  319   2HD2  ASN  46          2HD2      ASN  46 -10.755   6.807  -1.969
  320    H    GLY  47           H        GLY  47  -7.301   5.320   1.532
  321   1HA   GLY  47          1HA       GLY  47  -5.072   5.461   3.380
  322   2HA   GLY  47          2HA       GLY  47  -6.213   4.134   3.115
  323    H    ASN  48           H        ASN  48  -5.217   4.681  -0.011
  324    HA   ASN  48           HA       ASN  48  -3.081   2.648   0.251
  325   1HB   ASN  48          1HB       ASN  48  -4.668   2.437  -1.624
  326   2HB   ASN  48          2HB       ASN  48  -3.965   3.836  -2.401
  327   1HD2  ASN  48          1HD2      ASN  48  -3.637   1.729  -3.955
  328   2HD2  ASN  48          2HD2      ASN  48  -2.128   0.897  -3.823
  329    H    ASN  49           H        ASN  49  -2.134   4.128   1.624
  330    HA   ASN  49           HA       ASN  49  -0.025   5.856   0.544
  331   1HB   ASN  49          1HB       ASN  49  -2.093   7.219   1.119
  332   2HB   ASN  49          2HB       ASN  49  -2.057   6.547   2.746
  333   1HD2  ASN  49          1HD2      ASN  49  -1.636   9.343   1.456
  334   2HD2  ASN  49          2HD2      ASN  49  -0.211   9.948   2.239
  335    H    PHE  50           H        PHE  50   1.648   4.649   1.347
  336    HA   PHE  50           HA       PHE  50   1.455   3.432   4.050
  337   1HB   PHE  50          1HB       PHE  50   2.700   2.355   1.494
  338   2HB   PHE  50          2HB       PHE  50   3.142   1.735   3.012
  339    HD1  PHE  50           1HD      PHE  50   0.410   1.885   0.531
  340    HD2  PHE  50           2HD      PHE  50   1.471   0.600   4.515
  341    HE1  PHE  50           1HE      PHE  50  -1.598   0.426   0.609
  342    HE2  PHE  50           2HE      PHE  50  -0.539  -0.823   4.588
  343    HZ   PHE  50           HZ       PHE  50  -2.077  -0.939   2.613
  344    H    HIS  51           H        HIS  51   3.533   3.097   5.014
  345    HA   HIS  51           HA       HIS  51   4.969   5.669   4.987
  346   1HB   HIS  51          1HB       HIS  51   5.322   3.254   6.825
  347   2HB   HIS  51          2HB       HIS  51   5.728   4.918   7.148
  348    HD1  HIS  51           1HD      HIS  51   3.463   6.539   7.753
  349    HD2  HIS  51           2HD      HIS  51   2.803   2.406   7.074
  350    HE1  HIS  51           1HE      HIS  51   0.957   6.025   8.308
  351    HE2  HIS  51           2HE      HIS  51   0.562   3.645   7.823
  352    H    SER  52           H        SER  52   5.391   2.445   3.830
  353    HA   SER  52           HA       SER  52   8.158   2.913   3.020
  354   1HB   SER  52          1HB       SER  52   8.890   0.854   4.431
  355   2HB   SER  52          2HB       SER  52   8.649   2.366   5.298
  356    HG   SER  52           HG       SER  52   7.607   0.528   6.344
  357    H    ARG  53           H        ARG  53   9.028   0.936   2.067
  358    HA   ARG  53           HA       ARG  53   7.258  -0.418   0.201
  359   1HB   ARG  53          1HB       ARG  53   9.642  -0.067  -0.244
  360   2HB   ARG  53          2HB       ARG  53  10.067  -1.059   1.151
  361   1HG   ARG  53          1HG       ARG  53  10.306  -2.313  -0.825
  362   2HG   ARG  53          2HG       ARG  53   9.003  -3.029   0.103
  363   1HD   ARG  53          1HD       ARG  53   7.409  -1.832  -1.503
  364   2HD   ARG  53          2HD       ARG  53   8.802  -1.340  -2.421
  365    HE   ARG  53           HE       ARG  53   8.238  -4.217  -1.817
  366   1HH1  ARG  53          2HH2      ARG  53   8.331  -2.020  -4.582
  367   2HH1  ARG  53          1HH2      ARG  53   9.000  -3.246  -5.597
  368   1HH2  ARG  53          2HH1      ARG  53   8.489  -5.692  -3.252
  369   2HH2  ARG  53          1HH1      ARG  53   9.027  -5.378  -4.896
  370    H    GLU  54           H        GLU  54   8.804  -1.248   3.247
  371    HA   GLU  54           HA       GLU  54   7.964  -3.820   3.791
  372   1HB   GLU  54          1HB       GLU  54   9.591  -2.806   5.082
  373   2HB   GLU  54          2HB       GLU  54   8.797  -1.308   5.240
  374   1HG   GLU  54          1HG       GLU  54   7.620  -3.665   6.721
  375   2HG   GLU  54          2HG       GLU  54   9.162  -3.006   7.279
  376    H    SER  55           H        SER  55   6.439  -1.046   5.307
  377    HA   SER  55           HA       SER  55   4.214  -2.417   6.125
  378   1HB   SER  55          1HB       SER  55   2.940  -0.230   6.268
  379   2HB   SER  55          2HB       SER  55   4.499  -0.297   7.085
  380    HG   SER  55           HG       SER  55   5.434   0.852   5.473
  381    H    CYS  56           H        CYS  56   4.589  -1.108   2.946
  382    HA   CYS  56           HA       CYS  56   1.843  -1.474   2.118
  383   1HB   CYS  56          1HB       CYS  56   3.813   0.065   1.218
  384   2HB   CYS  56          2HB       CYS  56   4.448  -1.358   0.475
  385    H    GLU  57           H        GLU  57   4.823  -3.330   1.587
  386    HA   GLU  57           HA       GLU  57   3.304  -5.442   0.249
  387   1HB   GLU  57          1HB       GLU  57   6.223  -5.362   1.047
  388   2HB   GLU  57          2HB       GLU  57   5.390  -6.719   0.244
  389   1HG   GLU  57          1HG       GLU  57   4.442  -4.816  -1.372
  390   2HG   GLU  57          2HG       GLU  57   5.777  -3.858  -0.750
  391    H    ASP  58           H        ASP  58   4.217  -4.704   3.527
  392    HA   ASP  58           HA       ASP  58   3.446  -7.159   4.696
  393   1HB   ASP  58          1HB       ASP  58   4.368  -5.547   6.204
  394   2HB   ASP  58          2HB       ASP  58   3.106  -4.369   5.821
  395    H    ALA  59           H        ALA  59   1.490  -4.206   3.632
  396    HA   ALA  59           HA       ALA  59  -0.925  -5.286   4.514
  397   1HB   ALA  59          1HB       ALA  59  -0.483  -3.321   2.245
  398   2HB   ALA  59          2HB       ALA  59  -2.008  -3.631   3.077
  399   3HB   ALA  59          3HB       ALA  59  -0.644  -2.941   3.974
  400    H    CYS  60           H        CYS  60   0.384  -5.326   1.197
  401    HA   CYS  60           HA       CYS  60  -1.343  -7.710   0.672
  402   1HB   CYS  60          1HB       CYS  60  -1.075  -5.209  -0.952
  403   2HB   CYS  60          2HB       CYS  60  -1.660  -6.737  -1.608
  404    HA   PRO  61           HA       PRO  61   2.838  -8.934  -0.686
  405   1HB   PRO  61          1HB       PRO  61   3.045 -11.258   0.687
  406   2HB   PRO  61          2HB       PRO  61   3.133  -9.712   1.574
  407   1HG   PRO  61          1HG       PRO  61   0.670 -11.469   1.146
  408   2HG   PRO  61          2HG       PRO  61   1.301 -10.884   2.706
  409   1HD   PRO  61          1HD       PRO  61  -0.656  -9.580   1.334
  410   2HD   PRO  61          2HD       PRO  61   0.553  -8.683   2.298
  411    H    VAL  62           H        VAL  62   3.330 -11.348  -1.529
  412    HA   VAL  62           HA       VAL  62   1.065 -12.205  -3.258
  413    HB   VAL  62           HB       VAL  62   3.876 -13.314  -3.408
  414   1HG1  VAL  62          1HG1      VAL  62   2.148 -14.397  -4.799
  415   2HG1  VAL  62          2HG1      VAL  62   1.737 -12.830  -5.531
  416   3HG1  VAL  62          3HG1      VAL  62   3.321 -13.570  -5.812
  417   1HG2  VAL  62          1HG2      VAL  62   4.333 -10.912  -3.541
  418   2HG2  VAL  62          2HG2      VAL  62   4.442 -11.592  -5.160
  419   3HG2  VAL  62          3HG2      VAL  62   2.990 -10.685  -4.682
  420    H    VAL  63           H        VAL  63   1.190 -14.895  -3.289
  421    HA   VAL  63           HA       VAL  63   0.443 -15.488  -0.584
  422    HB   VAL  63           HB       VAL  63   1.006 -17.695  -2.495
  423   1HG1  VAL  63          1HG1      VAL  63  -0.927 -18.745  -1.424
  424   2HG1  VAL  63          2HG1      VAL  63   0.283 -18.254  -0.230
  425   3HG1  VAL  63          3HG1      VAL  63  -1.192 -17.284  -0.452
  426   1HG2  VAL  63          1HG2      VAL  63  -0.259 -16.152  -3.949
  427   2HG2  VAL  63          2HG2      VAL  63  -1.331 -17.457  -3.446
  428   3HG2  VAL  63          3HG2      VAL  63  -1.448 -15.871  -2.655
  429    H    ASP  64           H        ASP  64   1.552 -16.330   0.935
  430    HA   ASP  64           HA       ASP  64   4.319 -17.313   0.620
  431   1HB   ASP  64          1HB       ASP  64   4.674 -14.993   1.196
  432   2HB   ASP  64          2HB       ASP  64   3.542 -15.107   2.552
  433    H    HIS  65           H        HIS  65   5.026 -18.343   2.702
  434    HA   HIS  65           HA       HIS  65   2.977 -20.125   3.615
  435   1HB   HIS  65          1HB       HIS  65   5.998 -20.448   3.604
  436   2HB   HIS  65          2HB       HIS  65   4.797 -21.716   3.781
  437    HD1  HIS  65           1HD      HIS  65   3.474 -22.434   1.454
  438    HD2  HIS  65           2HD      HIS  65   6.423 -19.414   1.111
  439    HE1  HIS  65           1HE      HIS  65   3.810 -22.000  -1.067
  440    HE2  HIS  65           2HE      HIS  65   5.604 -20.160  -1.256
  441    H    HIS  66           H        HIS  66   4.058 -17.337   4.840
  442    HA   HIS  66           HA       HIS  66   3.822 -18.287   7.595
  443   1HB   HIS  66          1HB       HIS  66   6.030 -16.396   7.599
  444   2HB   HIS  66          2HB       HIS  66   5.878 -17.954   8.356
  445    HD1  HIS  66           1HD      HIS  66   6.708 -16.714   4.709
  446    HD2  HIS  66           2HD      HIS  66   7.735 -19.616   7.632
  447    HE1  HIS  66           1HE      HIS  66   8.703 -17.966   3.787
  448    HE2  HIS  66           2HE      HIS  66   9.350 -19.766   5.565
  449    H    HIS  67           H        HIS  67   4.572 -15.376   5.597
  450    HA   HIS  67           HA       HIS  67   3.605 -13.529   7.548
  451   1HB   HIS  67          1HB       HIS  67   5.287 -12.923   5.897
  452   2HB   HIS  67          2HB       HIS  67   4.216 -13.365   4.569
  453    HD1  HIS  67           1HD      HIS  67   3.415 -11.241   3.361
  454    HD2  HIS  67           2HD      HIS  67   3.785 -10.756   7.569
  455    HE1  HIS  67           1HE      HIS  67   2.546  -8.907   3.933
  456    HE2  HIS  67           2HE      HIS  67   2.783  -8.637   6.498
  457    H    HIS  68           H        HIS  68   1.760 -12.222   7.546
  458    HA   HIS  68           HA       HIS  68  -0.418 -12.464   5.732
  459   1HB   HIS  68          1HB       HIS  68  -0.491 -14.099   8.140
  460   2HB   HIS  68          2HB       HIS  68  -1.573 -12.742   8.387
  461    HD1  HIS  68           1HD      HIS  68  -3.894 -12.745   6.951
  462    HD2  HIS  68           2HD      HIS  68  -0.990 -15.676   5.896
  463    HE1  HIS  68           1HE      HIS  68  -5.041 -14.335   5.398
  464    HE2  HIS  68           2HE      HIS  68  -3.301 -16.144   4.711
  465    H    HIS  69           H        HIS  69  -2.100 -10.747   6.656
  466    HA   HIS  69           HA       HIS  69  -0.933  -8.729   8.431
  467   1HB   HIS  69          1HB       HIS  69  -0.127  -7.746   6.532
  468   2HB   HIS  69          2HB       HIS  69  -1.412  -8.307   5.471
  469    HD1  HIS  69           1HD      HIS  69  -0.312  -5.362   7.461
  470    HD2  HIS  69           2HD      HIS  69  -3.481  -6.710   5.061
  471    HE1  HIS  69           1HE      HIS  69  -1.702  -3.311   6.825
  472    HE2  HIS  69           2HE      HIS  69  -3.613  -4.203   5.265
  473    H    HIS  70           H        HIS  70  -3.643  -8.695   6.103
  474    HA   HIS  70           HA       HIS  70  -5.526  -8.715   8.383
  475   1HB   HIS  70          1HB       HIS  70  -5.736  -7.197   6.235
  476   2HB   HIS  70          2HB       HIS  70  -6.318  -8.676   5.453
  477    HD1  HIS  70           1HD      HIS  70  -8.042  -9.825   7.756
  478    HD2  HIS  70           2HD      HIS  70  -7.865  -5.743   6.702
  479    HE1  HIS  70           1HE      HIS  70 -10.215  -8.670   8.745
  480    HE2  HIS  70           2HE      HIS  70 -10.044  -6.162   8.034
  Start of MODEL    6
    1   1H    GLU   1          1H        GLU   1 -10.972   4.962   7.469
    2   2H    GLU   1          2H        GLU   1 -11.943   5.534   6.260
    3   3H    GLU   1          H         GLU   1 -10.293   5.614   6.127
    4    HA   GLU   1           HA       GLU   1 -11.412   3.863   4.810
    5   1HB   GLU   1          1HB       GLU   1  -9.209   3.074   6.764
    6   2HB   GLU   1          2HB       GLU   1  -9.751   2.098   5.397
    7   1HG   GLU   1          1HG       GLU   1  -7.976   3.099   4.429
    8   2HG   GLU   1          2HG       GLU   1  -9.257   4.199   3.933
    9    H    ALA   2           H        ALA   2 -13.526   4.241   6.360
   10    HA   ALA   2           HA       ALA   2 -14.389   1.516   6.942
   11   1HB   ALA   2          1HB       ALA   2 -13.613   2.288   9.173
   12   2HB   ALA   2          2HB       ALA   2 -14.645   3.737   9.028
   13   3HB   ALA   2          3HB       ALA   2 -15.376   2.121   9.122
   14    H    GLU   3           H        GLU   3 -14.697   3.870   4.999
   15    HA   GLU   3           HA       GLU   3 -17.297   5.035   5.461
   16   1HB   GLU   3          1HB       GLU   3 -15.499   5.026   2.990
   17   2HB   GLU   3          2HB       GLU   3 -16.872   6.087   3.273
   18   1HG   GLU   3          1HG       GLU   3 -14.852   7.332   3.680
   19   2HG   GLU   3          2HG       GLU   3 -15.704   7.116   5.211
   20    H    ALA   4           H        ALA   4 -16.173   2.136   3.987
   21    HA   ALA   4           HA       ALA   4 -18.821   1.536   2.828
   22   1HB   ALA   4          1HB       ALA   4 -17.683   0.125   1.133
   23   2HB   ALA   4          2HB       ALA   4 -17.211   1.827   0.959
   24   3HB   ALA   4          3HB       ALA   4 -16.104   0.671   1.735
   25    H    GLU   5           H        GLU   5 -19.165  -0.902   2.907
   26    HA   GLU   5           HA       GLU   5 -18.747  -2.042   5.434
   27   1HB   GLU   5          1HB       GLU   5 -19.206  -3.367   2.725
   28   2HB   GLU   5          2HB       GLU   5 -19.381  -4.181   4.284
   29   1HG   GLU   5          1HG       GLU   5 -21.217  -2.693   4.921
   30   2HG   GLU   5          2HG       GLU   5 -21.017  -1.746   3.442
   31    H    PHE   6           H        PHE   6 -16.773  -2.274   2.464
   32    HA   PHE   6           HA       PHE   6 -14.434  -2.905   4.004
   33   1HB   PHE   6          1HB       PHE   6 -15.362  -5.180   3.679
   34   2HB   PHE   6          2HB       PHE   6 -15.512  -4.895   1.949
   35    HD1  PHE   6           1HD      PHE   6 -12.870  -4.719   4.652
   36    HD2  PHE   6           2HD      PHE   6 -13.812  -5.761   0.571
   37    HE1  PHE   6           1HE      PHE   6 -10.526  -5.454   4.292
   38    HE2  PHE   6           2HE      PHE   6 -11.476  -6.528   0.233
   39    HZ   PHE   6           HZ       PHE   6  -9.826  -6.358   2.084
   40    H    THR   7           H        THR   7 -12.502  -2.643   2.600
   41    HA   THR   7           HA       THR   7 -12.694  -2.007  -0.178
   42    HB   THR   7           HB       THR   7 -12.241   0.238   1.836
   43    HG1  THR   7           1HG      THR   7 -14.316  -0.382   0.642
   44   1HG2  THR   7          1HG2      THR   7 -11.476   0.223  -1.124
   45   2HG2  THR   7          2HG2      THR   7 -11.547   1.663  -0.083
   46   3HG2  THR   7          3HG2      THR   7 -10.361   0.397   0.252
   47    H    ASP   8           H        ASP   8 -10.969  -3.321  -0.711
   48    HA   ASP   8           HA       ASP   8  -8.718  -3.685   1.125
   49   1HB   ASP   8          1HB       ASP   8  -9.397  -5.541  -0.327
   50   2HB   ASP   8          2HB       ASP   8  -9.075  -4.569  -1.765
   51    H    ALA   9           H        ALA   9  -7.776  -1.717   1.454
   52    HA   ALA   9           HA       ALA   9  -7.497   0.314  -0.420
   53   1HB   ALA   9          1HB       ALA   9  -5.655   1.237   0.884
   54   2HB   ALA   9          2HB       ALA   9  -7.006   0.760   1.923
   55   3HB   ALA   9          3HB       ALA   9  -5.532  -0.256   1.820
   56    H    CYS  10           H        CYS  10  -5.515  -2.682  -0.177
   57    HA   CYS  10           HA       CYS  10  -3.311  -1.392  -1.578
   58   1HB   CYS  10          1HB       CYS  10  -2.115  -3.277  -1.171
   59   2HB   CYS  10          2HB       CYS  10  -3.275  -3.263   0.129
   60    H    VAL  11           H        VAL  11  -6.321  -2.710  -2.538
   61    HA   VAL  11           HA       VAL  11  -5.447  -3.055  -5.361
   62    HB   VAL  11           HB       VAL  11  -8.105  -3.531  -3.954
   63   1HG1  VAL  11          1HG1      VAL  11  -8.587  -3.060  -6.298
   64   2HG1  VAL  11          2HG1      VAL  11  -7.314  -4.184  -6.825
   65   3HG1  VAL  11          3HG1      VAL  11  -8.769  -4.788  -5.996
   66   1HG2  VAL  11          1HG2      VAL  11  -7.601  -5.907  -4.196
   67   2HG2  VAL  11          2HG2      VAL  11  -6.083  -5.551  -5.046
   68   3HG2  VAL  11          3HG2      VAL  11  -6.276  -5.147  -3.338
   69    H    LEU  12           H        LEU  12  -6.687  -0.612  -3.310
   70    HA   LEU  12           HA       LEU  12  -8.251   0.894  -5.245
   71   1HB   LEU  12          1HB       LEU  12  -9.074   0.997  -3.181
   72   2HB   LEU  12          2HB       LEU  12  -7.532   0.916  -2.373
   73    HG   LEU  12           HG       LEU  12  -7.458   3.469  -3.197
   74   1HD1  LEU  12          1HD1      LEU  12  -9.665   4.511  -3.015
   75   2HD1  LEU  12          2HD1      LEU  12  -9.943   3.149  -4.126
   76   3HD1  LEU  12          3HD1      LEU  12 -10.399   3.005  -2.445
   77   1HD2  LEU  12          1HD2      LEU  12  -7.093   2.741  -0.938
   78   2HD2  LEU  12          2HD2      LEU  12  -8.403   3.933  -0.855
   79   3HD2  LEU  12          3HD2      LEU  12  -8.782   2.227  -0.756
   80    HA   PRO  13           HA       PRO  13  -4.735   3.173  -6.745
   81   1HB   PRO  13          1HB       PRO  13  -5.912   5.540  -7.610
   82   2HB   PRO  13          2HB       PRO  13  -5.959   3.989  -8.474
   83   1HG   PRO  13          1HG       PRO  13  -8.081   5.292  -6.796
   84   2HG   PRO  13          2HG       PRO  13  -8.278   4.268  -8.247
   85   1HD   PRO  13          1HD       PRO  13  -8.563   3.472  -5.571
   86   2HD   PRO  13          2HD       PRO  13  -8.357   2.335  -6.914
   87    H    ALA  14           H        ALA  14  -3.911   5.636  -6.577
   88    HA   ALA  14           HA       ALA  14  -4.202   6.550  -3.766
   89   1HB   ALA  14          1HB       ALA  14  -2.063   5.266  -4.052
   90   2HB   ALA  14          2HB       ALA  14  -1.552   6.489  -5.253
   91   3HB   ALA  14          3HB       ALA  14  -1.883   6.944  -3.564
   92    H    VAL  15           H        VAL  15  -3.564   8.932  -3.592
   93    HA   VAL  15           HA       VAL  15  -4.094  10.456  -6.065
   94    HB   VAL  15           HB       VAL  15  -5.774  10.271  -3.562
   95   1HG1  VAL  15          1HG1      VAL  15  -7.149  12.176  -4.305
   96   2HG1  VAL  15          2HG1      VAL  15  -5.552  12.633  -3.764
   97   3HG1  VAL  15          3HG1      VAL  15  -5.913  12.577  -5.522
   98   1HG2  VAL  15          1HG2      VAL  15  -7.662  10.043  -5.151
   99   2HG2  VAL  15          2HG2      VAL  15  -6.514  10.128  -6.510
  100   3HG2  VAL  15          3HG2      VAL  15  -6.466   8.777  -5.356
  101    H    GLN  16           H        GLN  16  -3.548  12.638  -5.838
  102    HA   GLN  16           HA       GLN  16  -1.224  13.120  -4.089
  103   1HB   GLN  16          1HB       GLN  16  -2.406  14.496  -6.544
  104   2HB   GLN  16          2HB       GLN  16  -1.190  15.304  -5.553
  105   1HG   GLN  16          1HG       GLN  16   0.402  13.547  -5.899
  106   2HG   GLN  16          2HG       GLN  16  -0.762  12.579  -6.825
  107   1HE2  GLN  16          1HE2      GLN  16   1.592  15.199  -6.945
  108   2HE2  GLN  16          2HE2      GLN  16   1.408  15.451  -8.667
  109    H    GLY  17           H        GLY  17  -4.543  14.301  -4.471
  110   1HA   GLY  17          1HA       GLY  17  -5.795  15.612  -3.087
  111   2HA   GLY  17          2HA       GLY  17  -4.391  15.926  -2.063
  112    HA   PRO  18           HA       PRO  18  -5.490  19.598  -4.803
  113   1HB   PRO  18          1HB       PRO  18  -6.128  21.442  -2.860
  114   2HB   PRO  18          2HB       PRO  18  -7.294  20.266  -3.537
  115   1HG   PRO  18          1HG       PRO  18  -5.680  20.013  -0.979
  116   2HG   PRO  18          2HG       PRO  18  -7.435  19.769  -1.209
  117   1HD   PRO  18          1HD       PRO  18  -5.730  17.661  -1.212
  118   2HD   PRO  18          2HD       PRO  18  -7.075  17.704  -2.366
  119    H    CYS  19           H        CYS  19  -3.384  19.229  -1.981
  120    HA   CYS  19           HA       CYS  19  -1.923  21.654  -2.244
  121   1HB   CYS  19          1HB       CYS  19  -0.723  19.061  -1.260
  122   2HB   CYS  19          2HB       CYS  19  -0.335  20.665  -0.730
  123    H    ARG  20           H        ARG  20   0.286  21.789  -2.862
  124    HA   ARG  20           HA       ARG  20   1.138  20.074  -5.140
  125   1HB   ARG  20          1HB       ARG  20   1.243  23.070  -4.982
  126   2HB   ARG  20          2HB       ARG  20   2.437  22.180  -5.878
  127   1HG   ARG  20          1HG       ARG  20   0.808  22.992  -7.382
  128   2HG   ARG  20          2HG       ARG  20   0.738  21.248  -7.372
  129   1HD   ARG  20          1HD       ARG  20  -1.257  22.890  -5.779
  130   2HD   ARG  20          2HD       ARG  20  -1.439  22.701  -7.522
  131    HE   ARG  20           HE       ARG  20  -2.033  20.795  -5.482
  132   1HH1  ARG  20          2HH2      ARG  20  -1.315  20.995  -8.915
  133   2HH1  ARG  20          1HH2      ARG  20  -1.915  19.407  -9.272
  134   1HH2  ARG  20          2HH1      ARG  20  -2.634  18.658  -5.861
  135   2HH2  ARG  20          1HH1      ARG  20  -2.772  18.055  -7.452
  136    H    GLY  21           H        GLY  21   1.726  20.430  -2.128
  137   1HA   GLY  21          1HA       GLY  21   4.721  20.568  -2.194
  138   2HA   GLY  21          2HA       GLY  21   3.707  20.286  -0.735
  139    H    TRP  22           H        TRP  22   5.855  18.361  -1.781
  140    HA   TRP  22           HA       TRP  22   4.082  16.124  -2.579
  141   1HB   TRP  22          1HB       TRP  22   6.828  16.792  -3.639
  142   2HB   TRP  22          2HB       TRP  22   5.901  15.370  -4.032
  143    HD1  TRP  22           HD       TRP  22   7.015  17.916  -5.854
  144    HE1  TRP  22           1HE      TRP  22   5.452  18.972  -7.570
  145    HE3  TRP  22           3HE      TRP  22   2.491  16.316  -3.989
  146    HZ2  TRP  22           2HZ      TRP  22   2.622  19.057  -8.128
  147    HZ3  TRP  22           3HZ      TRP  22   0.406  16.962  -5.083
  148    HH2  TRP  22           HH       TRP  22   0.436  18.291  -7.185
  149    H    GLU  23           H        GLU  23   3.957  14.945  -0.958
  150    HA   GLU  23           HA       GLU  23   6.219  14.211   0.826
  151   1HB   GLU  23          1HB       GLU  23   4.253  14.943   1.993
  152   2HB   GLU  23          2HB       GLU  23   3.181  14.010   0.958
  153   1HG   GLU  23          1HG       GLU  23   3.198  12.934   3.005
  154   2HG   GLU  23          2HG       GLU  23   4.084  11.911   1.887
  155    HA   PRO  24           HA       PRO  24   6.137  10.615  -2.118
  156   1HB   PRO  24          1HB       PRO  24   8.494   9.472  -1.415
  157   2HB   PRO  24          2HB       PRO  24   8.418  10.985  -2.370
  158   1HG   PRO  24          1HG       PRO  24   8.906  10.688   0.609
  159   2HG   PRO  24          2HG       PRO  24   9.791  11.708  -0.566
  160   1HD   PRO  24          1HD       PRO  24   7.774  12.650   1.053
  161   2HD   PRO  24          2HD       PRO  24   8.096  13.327  -0.571
  162    H    ARG  25           H        ARG  25   4.666   9.139  -1.598
  163    HA   ARG  25           HA       ARG  25   5.030   7.560   0.927
  164   1HB   ARG  25          1HB       ARG  25   2.462   8.403  -0.472
  165   2HB   ARG  25          2HB       ARG  25   2.511   7.183   0.808
  166   1HG   ARG  25          1HG       ARG  25   3.389  10.076   1.103
  167   2HG   ARG  25          2HG       ARG  25   1.838   9.428   1.606
  168   1HD   ARG  25          1HD       ARG  25   2.960   7.877   3.175
  169   2HD   ARG  25          2HD       ARG  25   4.537   8.508   2.697
  170    HE   ARG  25           HE       ARG  25   4.270  10.406   3.923
  171   1HH1  ARG  25          2HH2      ARG  25   1.097   8.787   3.864
  172   2HH1  ARG  25          1HH2      ARG  25   0.377   9.900   4.978
  173   1HH2  ARG  25          2HH1      ARG  25   3.453  11.748   5.288
  174   2HH2  ARG  25          1HH1      ARG  25   1.826  11.676   5.948
  175    H    TRP  26           H        TRP  26   3.750   5.370   0.624
  176    HA   TRP  26           HA       TRP  26   4.648   4.236  -2.006
  177   1HB   TRP  26          1HB       TRP  26   4.787   3.181   0.830
  178   2HB   TRP  26          2HB       TRP  26   4.822   2.100  -0.565
  179    HD1  TRP  26           HD       TRP  26   6.862   4.908   1.102
  180    HE1  TRP  26           1HE      TRP  26   9.223   4.939   0.151
  181    HE3  TRP  26           3HE      TRP  26   6.322   1.248  -2.400
  182    HZ2  TRP  26           2HZ      TRP  26  10.687   3.593  -2.014
  183    HZ3  TRP  26           3HZ      TRP  26   8.099   0.849  -4.086
  184    HH2  TRP  26           HH       TRP  26  10.308   1.872  -3.810
  185    H    ALA  27           H        ALA  27   3.192   2.796  -3.081
  186    HA   ALA  27           HA       ALA  27   0.619   2.257  -1.750
  187   1HB   ALA  27          1HB       ALA  27  -0.621   2.787  -3.836
  188   2HB   ALA  27          2HB       ALA  27   0.064   4.218  -3.072
  189   3HB   ALA  27          3HB       ALA  27   0.843   3.512  -4.520
  190    H    TYR  28           H        TYR  28  -0.286   0.348  -2.420
  191    HA   TYR  28           HA       TYR  28   1.590  -1.538  -3.683
  192   1HB   TYR  28          1HB       TYR  28   0.205  -2.005  -1.553
  193   2HB   TYR  28          2HB       TYR  28  -1.211  -1.971  -2.576
  194    HD1  TYR  28           1HD      TYR  28  -1.696  -3.865  -4.152
  195    HD2  TYR  28           2HD      TYR  28   1.680  -3.965  -1.487
  196    HE1  TYR  28           1HE      TYR  28  -1.444  -6.294  -4.516
  197    HE2  TYR  28           2HE      TYR  28   2.105  -6.292  -2.106
  198    HH   TYR  28           HH       TYR  28   0.781  -8.152  -2.671
  199    H    SER  29           H        SER  29   1.219  -2.585  -5.632
  200    HA   SER  29           HA       SER  29  -1.242  -1.896  -7.131
  201   1HB   SER  29          1HB       SER  29   1.636  -1.866  -8.015
  202   2HB   SER  29          2HB       SER  29   0.361  -1.879  -9.190
  203    HG   SER  29           HG       SER  29  -0.197  -0.242  -7.100
  204    HA   PRO  30           HA       PRO  30  -1.117  -6.372  -6.657
  205   1HB   PRO  30          1HB       PRO  30  -3.663  -6.979  -7.508
  206   2HB   PRO  30          2HB       PRO  30  -3.332  -6.280  -5.893
  207   1HG   PRO  30          1HG       PRO  30  -4.210  -4.831  -8.407
  208   2HG   PRO  30          2HG       PRO  30  -4.862  -4.673  -6.754
  209   1HD   PRO  30          1HD       PRO  30  -3.033  -2.921  -7.752
  210   2HD   PRO  30          2HD       PRO  30  -3.004  -3.412  -6.037
  211    H    LEU  31           H        LEU  31  -2.315  -4.613  -9.516
  212    HA   LEU  31           HA       LEU  31  -1.892  -6.645 -11.450
  213   1HB   LEU  31          1HB       LEU  31  -2.141  -3.655 -11.571
  214   2HB   LEU  31          2HB       LEU  31  -1.753  -4.584 -13.015
  215    HG   LEU  31           HG       LEU  31  -4.147  -5.286 -11.270
  216   1HD1  LEU  31          1HD1      LEU  31  -5.511  -4.033 -12.878
  217   2HD1  LEU  31          2HD1      LEU  31  -4.368  -2.977 -12.027
  218   3HD1  LEU  31          3HD1      LEU  31  -4.032  -3.478 -13.706
  219   1HD2  LEU  31          1HD2      LEU  31  -3.468  -5.931 -14.185
  220   2HD2  LEU  31          2HD2      LEU  31  -3.464  -7.085 -12.837
  221   3HD2  LEU  31          3HD2      LEU  31  -4.981  -6.355 -13.358
  222    H    LEU  32           H        LEU  32   0.413  -4.680  -9.715
  223    HA   LEU  32           HA       LEU  32   2.570  -5.429 -11.639
  224   1HB   LEU  32          1HB       LEU  32   2.240  -3.359  -9.467
  225   2HB   LEU  32          2HB       LEU  32   3.838  -3.813  -9.972
  226    HG   LEU  32           HG       LEU  32   1.747  -2.794 -11.931
  227   1HD1  LEU  32          1HD1      LEU  32   4.005  -1.277 -10.540
  228   2HD1  LEU  32          2HD1      LEU  32   3.001  -0.645 -11.866
  229   3HD1  LEU  32          3HD1      LEU  32   2.258  -1.020 -10.311
  230   1HD2  LEU  32          1HD2      LEU  32   3.730  -2.370 -13.387
  231   2HD2  LEU  32          2HD2      LEU  32   4.776  -3.140 -12.173
  232   3HD2  LEU  32          3HD2      LEU  32   3.536  -4.082 -13.027
  233    H    GLN  33           H        GLN  33   0.952  -6.483  -8.885
  234    HA   GLN  33           HA       GLN  33   1.303  -7.590  -7.057
  235   1HB   GLN  33          1HB       GLN  33   1.711  -9.258  -8.967
  236   2HB   GLN  33          2HB       GLN  33   3.431  -9.131  -8.606
  237   1HG   GLN  33          1HG       GLN  33   1.939  -9.571  -6.144
  238   2HG   GLN  33          2HG       GLN  33   1.391 -10.732  -7.341
  239   1HE2  GLN  33          1HE2      GLN  33   4.481  -9.403  -6.102
  240   2HE2  GLN  33          2HE2      GLN  33   5.394 -10.884  -6.109
  241    H    GLN  34           H        GLN  34   2.562  -5.107  -6.984
  242    HA   GLN  34           HA       GLN  34   4.836  -5.585  -5.205
  243   1HB   GLN  34          1HB       GLN  34   5.574  -5.710  -7.779
  244   2HB   GLN  34          2HB       GLN  34   5.308  -3.949  -7.707
  245   1HG   GLN  34          1HG       GLN  34   7.028  -3.757  -5.991
  246   2HG   GLN  34          2HG       GLN  34   7.297  -5.512  -6.070
  247   1HE2  GLN  34          1HE2      GLN  34   6.942  -5.422  -9.141
  248   2HE2  GLN  34          2HE2      GLN  34   8.490  -4.780  -9.675
  249    H    CYS  35           H        CYS  35   5.670  -3.486  -4.503
  250    HA   CYS  35           HA       CYS  35   3.569  -1.336  -4.543
  251   1HB   CYS  35          1HB       CYS  35   5.794  -1.865  -2.573
  252   2HB   CYS  35          2HB       CYS  35   4.801  -0.402  -2.591
  253    H    HIS  36           H        HIS  36   4.076   0.717  -4.872
  254    HA   HIS  36           HA       HIS  36   6.790   1.354  -5.963
  255   1HB   HIS  36          1HB       HIS  36   5.823   2.570  -7.855
  256   2HB   HIS  36          2HB       HIS  36   5.377   0.872  -7.906
  257    HD1  HIS  36           1HD      HIS  36   3.798   4.264  -6.827
  258    HD2  HIS  36           2HD      HIS  36   2.697   0.348  -8.139
  259    HE1  HIS  36           1HE      HIS  36   1.235   4.221  -7.088
  260    HE2  HIS  36           2HE      HIS  36   0.653   1.797  -7.897
  261    HA   PRO  37           HA       PRO  37   6.098   4.966  -3.440
  262   1HB   PRO  37          1HB       PRO  37   7.680   6.826  -4.897
  263   2HB   PRO  37          2HB       PRO  37   8.187   5.836  -3.505
  264   1HG   PRO  37          1HG       PRO  37   9.013   5.548  -6.273
  265   2HG   PRO  37          2HG       PRO  37   9.509   4.580  -4.858
  266   1HD   PRO  37          1HD       PRO  37   7.565   3.927  -6.967
  267   2HD   PRO  37          2HD       PRO  37   8.339   2.856  -5.765
  268    H    PHE  38           H        PHE  38   5.110   7.293  -3.757
  269    HA   PHE  38           HA       PHE  38   4.227   7.943  -6.402
  270   1HB   PHE  38          1HB       PHE  38   1.925   7.749  -6.221
  271   2HB   PHE  38          2HB       PHE  38   2.490   6.209  -5.625
  272    HD1  PHE  38           1HD      PHE  38   0.529   9.158  -4.935
  273    HD2  PHE  38           2HD      PHE  38   2.495   5.813  -3.045
  274    HE1  PHE  38           1HE      PHE  38  -0.826   9.508  -2.926
  275    HE2  PHE  38           2HE      PHE  38   1.015   6.109  -1.068
  276    HZ   PHE  38           HZ       PHE  38  -0.616   7.954  -0.985
  277    H    VAL  39           H        VAL  39   2.925  10.035  -6.255
  278    HA   VAL  39           HA       VAL  39   4.249  11.748  -4.246
  279    HB   VAL  39           HB       VAL  39   2.757  12.412  -6.841
  280   1HG1  VAL  39          1HG1      VAL  39   2.600  14.225  -5.215
  281   2HG1  VAL  39          2HG1      VAL  39   4.332  14.130  -4.892
  282   3HG1  VAL  39          3HG1      VAL  39   3.758  14.673  -6.485
  283   1HG2  VAL  39          1HG2      VAL  39   5.033  13.029  -7.673
  284   2HG2  VAL  39          2HG2      VAL  39   5.744  12.374  -6.183
  285   3HG2  VAL  39          3HG2      VAL  39   4.911  11.302  -7.329
  286    H    TYR  40           H        TYR  40   3.079  12.357  -2.510
  287    HA   TYR  40           HA       TYR  40   0.125  12.483  -2.636
  288   1HB   TYR  40          1HB       TYR  40   0.709  10.537  -1.386
  289   2HB   TYR  40          2HB       TYR  40   2.024  11.333  -0.585
  290    HD1  TYR  40           1HD      TYR  40   1.788  12.070   1.524
  291    HD2  TYR  40           2HD      TYR  40  -1.758  11.595  -0.873
  292    HE1  TYR  40           1HE      TYR  40   0.427  12.543   3.500
  293    HE2  TYR  40           2HE      TYR  40  -3.163  12.018   1.121
  294    HH   TYR  40           HH       TYR  40  -2.747  13.239   3.574
  295    H    GLY  41           H        GLY  41  -0.585  14.208  -0.909
  296   1HA   GLY  41          1HA       GLY  41   1.433  16.420  -0.869
  297   2HA   GLY  41          2HA       GLY  41  -0.245  16.615  -1.320
  298    H    GLY  42           H        GLY  42  -0.043  14.451   1.324
  299   1HA   GLY  42          1HA       GLY  42  -0.150  14.743   3.641
  300   2HA   GLY  42          2HA       GLY  42   0.041  16.486   3.462
  301    H    CYS  43           H        CYS  43  -1.980  17.128   1.689
  302    HA   CYS  43           HA       CYS  43  -4.444  16.873   3.200
  303   1HB   CYS  43          1HB       CYS  43  -5.338  18.057   1.110
  304   2HB   CYS  43          2HB       CYS  43  -4.131  18.886   2.062
  305    H    GLU  44           H        GLU  44  -6.421  16.390   1.409
  306    HA   GLU  44           HA       GLU  44  -7.083  13.862   1.654
  307   1HB   GLU  44          1HB       GLU  44  -7.669  15.345  -0.924
  308   2HB   GLU  44          2HB       GLU  44  -8.560  13.997  -0.232
  309   1HG   GLU  44          1HG       GLU  44  -9.892  15.689   0.475
  310   2HG   GLU  44          2HG       GLU  44  -8.826  15.592   1.871
  311    H    GLY  45           H        GLY  45  -6.715  11.836   0.920
  312   1HA   GLY  45          1HA       GLY  45  -5.806  11.238  -1.683
  313   2HA   GLY  45          2HA       GLY  45  -4.554  10.909  -0.482
  314    H    ASN  46           H        ASN  46  -5.527   8.616  -1.621
  315    HA   ASN  46           HA       ASN  46  -7.848   7.734   0.010
  316   1HB   ASN  46          1HB       ASN  46  -6.498   5.836  -1.862
  317   2HB   ASN  46          2HB       ASN  46  -8.164   5.955  -1.333
  318   1HD2  ASN  46          1HD2      ASN  46  -7.493   5.457  -4.012
  319   2HD2  ASN  46          2HD2      ASN  46  -8.188   6.837  -4.887
  320    H    GLY  47           H        GLY  47  -7.609   5.413   0.796
  321   1HA   GLY  47          1HA       GLY  47  -5.655   5.439   2.882
  322   2HA   GLY  47          2HA       GLY  47  -6.822   4.162   2.565
  323    H    ASN  48           H        ASN  48  -5.175   4.408  -0.300
  324    HA   ASN  48           HA       ASN  48  -3.370   2.150   0.371
  325   1HB   ASN  48          1HB       ASN  48  -4.732   2.165  -1.734
  326   2HB   ASN  48          2HB       ASN  48  -3.852   3.510  -2.300
  327   1HD2  ASN  48          1HD2      ASN  48  -3.686   1.376  -3.855
  328   2HD2  ASN  48          2HD2      ASN  48  -2.230   0.413  -3.737
  329    H    ASN  49           H        ASN  49  -2.412   3.718   1.933
  330    HA   ASN  49           HA       ASN  49  -0.263   5.364   0.670
  331   1HB   ASN  49          1HB       ASN  49  -2.351   6.650   1.423
  332   2HB   ASN  49          2HB       ASN  49  -1.983   6.157   3.070
  333   1HD2  ASN  49          1HD2      ASN  49  -1.970   8.785   1.418
  334   2HD2  ASN  49          2HD2      ASN  49  -0.477   9.573   1.832
  335    H    PHE  50           H        PHE  50   1.494   4.275   1.253
  336    HA   PHE  50           HA       PHE  50   1.658   3.041   3.933
  337   1HB   PHE  50          1HB       PHE  50   2.921   2.209   1.312
  338   2HB   PHE  50          2HB       PHE  50   3.452   1.584   2.804
  339    HD1  PHE  50           1HD      PHE  50   1.925   0.284   4.325
  340    HD2  PHE  50           2HD      PHE  50   0.675   1.522   0.378
  341    HE1  PHE  50           1HE      PHE  50  -0.033  -1.216   4.460
  342    HE2  PHE  50           2HE      PHE  50  -1.228  -0.066   0.499
  343    HZ   PHE  50           HZ       PHE  50  -1.588  -1.426   2.538
  344    H    HIS  51           H        HIS  51   3.697   2.861   4.784
  345    HA   HIS  51           HA       HIS  51   4.943   5.512   5.017
  346   1HB   HIS  51          1HB       HIS  51   5.651   2.958   6.546
  347   2HB   HIS  51          2HB       HIS  51   5.647   4.605   7.119
  348    HD1  HIS  51           1HD      HIS  51   3.671   1.506   7.189
  349    HD2  HIS  51           2HD      HIS  51   2.784   5.644   7.053
  350    HE1  HIS  51           1HE      HIS  51   1.149   1.749   7.730
  351    HE2  HIS  51           2HE      HIS  51   0.626   4.261   7.636
  352    H    SER  52           H        SER  52   5.602   2.313   3.665
  353    HA   SER  52           HA       SER  52   8.258   3.110   2.772
  354   1HB   SER  52          1HB       SER  52   9.206   1.016   4.064
  355   2HB   SER  52          2HB       SER  52   9.001   2.534   4.940
  356    HG   SER  52           HG       SER  52   8.085   0.422   5.900
  357    H    ARG  53           H        ARG  53   9.235   1.357   1.604
  358    HA   ARG  53           HA       ARG  53   7.528  -0.074  -0.227
  359   1HB   ARG  53          1HB       ARG  53   9.781   0.649  -0.786
  360   2HB   ARG  53          2HB       ARG  53  10.455  -0.332   0.518
  361   1HG   ARG  53          1HG       ARG  53  10.756  -1.397  -1.559
  362   2HG   ARG  53          2HG       ARG  53   9.686  -2.389  -0.583
  363   1HD   ARG  53          1HD       ARG  53   7.785  -1.327  -1.991
  364   2HD   ARG  53          2HD       ARG  53   9.038  -0.682  -3.013
  365    HE   ARG  53           HE       ARG  53   8.783  -3.601  -2.396
  366   1HH1  ARG  53          2HH2      ARG  53   8.636  -1.378  -5.103
  367   2HH1  ARG  53          1HH2      ARG  53   9.395  -2.499  -6.180
  368   1HH2  ARG  53          1HH1      ARG  53   9.201  -5.022  -3.829
  369   2HH2  ARG  53          2HH1      ARG  53   9.691  -4.663  -5.482
  370    H    GLU  54           H        GLU  54   9.451  -1.038   2.561
  371    HA   GLU  54           HA       GLU  54   8.914  -3.745   2.860
  372   1HB   GLU  54          1HB       GLU  54  10.619  -2.696   4.046
  373   2HB   GLU  54          2HB       GLU  54   9.707  -1.314   4.463
  374   1HG   GLU  54          1HG       GLU  54   8.632  -3.625   5.908
  375   2HG   GLU  54          2HG       GLU  54  10.390  -3.547   6.083
  376    H    SER  55           H        SER  55   7.401  -1.347   4.965
  377    HA   SER  55           HA       SER  55   5.406  -2.965   5.759
  378   1HB   SER  55          1HB       SER  55   4.042  -1.035   6.494
  379   2HB   SER  55          2HB       SER  55   5.757  -0.843   6.886
  380    HG   SER  55           HG       SER  55   5.985   0.631   5.335
  381    H    CYS  56           H        CYS  56   5.253  -1.317   2.733
  382    HA   CYS  56           HA       CYS  56   2.461  -1.858   2.231
  383   1HB   CYS  56          1HB       CYS  56   4.173  -0.117   1.164
  384   2HB   CYS  56          2HB       CYS  56   4.864  -1.453   0.340
  385    H    GLU  57           H        GLU  57   5.461  -3.438   1.164
  386    HA   GLU  57           HA       GLU  57   3.924  -5.476  -0.244
  387   1HB   GLU  57          1HB       GLU  57   6.895  -5.362   0.430
  388   2HB   GLU  57          2HB       GLU  57   6.102  -6.659  -0.506
  389   1HG   GLU  57          1HG       GLU  57   5.073  -4.795  -1.951
  390   2HG   GLU  57          2HG       GLU  57   6.225  -3.694  -1.193
  391    H    ASP  58           H        ASP  58   5.185  -5.165   3.083
  392    HA   ASP  58           HA       ASP  58   4.446  -7.916   3.681
  393   1HB   ASP  58          1HB       ASP  58   6.236  -6.472   4.827
  394   2HB   ASP  58          2HB       ASP  58   4.898  -5.677   5.663
  395    H    ALA  59           H        ALA  59   2.656  -4.708   3.552
  396    HA   ALA  59           HA       ALA  59   0.501  -5.718   5.155
  397   1HB   ALA  59          1HB       ALA  59  -0.773  -3.846   4.149
  398   2HB   ALA  59          2HB       ALA  59   0.781  -3.339   4.832
  399   3HB   ALA  59          3HB       ALA  59   0.591  -3.508   3.062
  400    H    CYS  60           H        CYS  60   1.131  -5.726   1.591
  401    HA   CYS  60           HA       CYS  60  -1.045  -7.764   1.444
  402   1HB   CYS  60          1HB       CYS  60  -0.527  -5.561  -0.470
  403   2HB   CYS  60          2HB       CYS  60  -1.176  -7.103  -1.018
  404    HA   PRO  61           HA       PRO  61   2.653 -10.043   0.219
  405   1HB   PRO  61          1HB       PRO  61   2.406 -12.153   1.917
  406   2HB   PRO  61          2HB       PRO  61   3.058 -10.580   2.472
  407   1HG   PRO  61          1HG       PRO  61   0.244 -11.648   2.800
  408   2HG   PRO  61          2HG       PRO  61   1.287 -10.851   4.024
  409   1HD   PRO  61          1HD       PRO  61  -0.652  -9.563   2.505
  410   2HD   PRO  61          2HD       PRO  61   0.759  -8.734   3.193
  411    H    VAL  62           H        VAL  62   2.363 -12.644  -0.281
  412    HA   VAL  62           HA       VAL  62  -0.313 -13.224  -1.310
  413    HB   VAL  62           HB       VAL  62   2.056 -13.627  -3.145
  414   1HG1  VAL  62          1HG1      VAL  62  -0.937 -13.434  -3.656
  415   2HG1  VAL  62          2HG1      VAL  62   0.278 -13.567  -4.934
  416   3HG1  VAL  62          3HG1      VAL  62   0.072 -14.891  -3.799
  417   1HG2  VAL  62          1HG2      VAL  62   1.400 -11.611  -4.477
  418   2HG2  VAL  62          2HG2      VAL  62   0.291 -11.144  -3.175
  419   3HG2  VAL  62          3HG2      VAL  62   2.040 -11.183  -2.894
  420    H    VAL  63           H        VAL  63  -0.047 -15.706  -2.171
  421    HA   VAL  63           HA       VAL  63   0.726 -17.325  -0.038
  422    HB   VAL  63           HB       VAL  63   1.058 -18.348  -2.841
  423   1HG1  VAL  63          1HG1      VAL  63  -0.127 -19.589  -0.332
  424   2HG1  VAL  63          2HG1      VAL  63   0.053 -20.394  -1.904
  425   3HG1  VAL  63          3HG1      VAL  63   1.493 -19.901  -1.003
  426   1HG2  VAL  63          1HG2      VAL  63  -1.429 -18.812  -2.924
  427   2HG2  VAL  63          2HG2      VAL  63  -1.631 -17.776  -1.497
  428   3HG2  VAL  63          3HG2      VAL  63  -1.052 -17.097  -3.037
  429    H    ASP  64           H        ASP  64   2.588 -18.254   0.554
  430    HA   ASP  64           HA       ASP  64   4.882 -16.815   0.496
  431   1HB   ASP  64          1HB       ASP  64   4.620 -18.560   2.117
  432   2HB   ASP  64          2HB       ASP  64   4.716 -19.816   0.863
  433    H    HIS  65           H        HIS  65   6.086 -16.083  -1.125
  434    HA   HIS  65           HA       HIS  65   6.474 -17.579  -3.524
  435   1HB   HIS  65          1HB       HIS  65   7.581 -14.950  -2.499
  436   2HB   HIS  65          2HB       HIS  65   8.136 -15.686  -3.996
  437    HD1  HIS  65           1HD      HIS  65   4.333 -15.872  -3.137
  438    HD2  HIS  65           2HD      HIS  65   7.115 -13.739  -5.557
  439    HE1  HIS  65           1HE      HIS  65   2.989 -14.580  -4.883
  440    HE2  HIS  65           2HE      HIS  65   4.596 -13.267  -6.294
  441    H    HIS  66           H        HIS  66   8.143 -17.457  -0.440
  442    HA   HIS  66           HA       HIS  66  10.682 -18.538  -1.389
  443   1HB   HIS  66          1HB       HIS  66   9.639 -18.741   1.439
  444   2HB   HIS  66          2HB       HIS  66  11.293 -18.645   0.895
  445    HD1  HIS  66           1HD      HIS  66   8.316 -16.550   1.824
  446    HD2  HIS  66           2HD      HIS  66  12.336 -16.100   0.607
  447    HE1  HIS  66           1HE      HIS  66   9.014 -14.099   2.436
  448    HE2  HIS  66           2HE      HIS  66  11.452 -13.847   1.654
  449    H    HIS  67           H        HIS  67   7.662 -19.851  -1.442
  450    HA   HIS  67           HA       HIS  67   7.230 -21.976  -0.237
  451   1HB   HIS  67          1HB       HIS  67   6.255 -23.103  -2.138
  452   2HB   HIS  67          2HB       HIS  67   5.883 -21.408  -2.154
  453    HD1  HIS  67           1HD      HIS  67   8.356 -20.234  -3.885
  454    HD2  HIS  67           2HD      HIS  67   6.334 -23.904  -4.576
  455    HE1  HIS  67           1HE      HIS  67   8.817 -20.939  -6.315
  456    HE2  HIS  67           2HE      HIS  67   7.564 -23.241  -6.653
  457    H    HIS  68           H        HIS  68   8.444 -23.387   0.711
  458    HA   HIS  68           HA       HIS  68  10.903 -24.408  -0.307
  459   1HB   HIS  68          1HB       HIS  68   9.974 -24.025   2.142
  460   2HB   HIS  68          2HB       HIS  68   9.397 -25.677   1.999
  461    HD1  HIS  68           1HD      HIS  68  12.524 -23.631   2.603
  462    HD2  HIS  68           2HD      HIS  68  11.366 -27.626   1.817
  463    HE1  HIS  68           1HE      HIS  68  14.533 -25.119   3.239
  464    HE2  HIS  68           2HE      HIS  68  13.817 -27.550   2.756
  465    H    HIS  69           H        HIS  69   8.865 -25.096  -2.253
  466    HA   HIS  69           HA       HIS  69   9.348 -27.874  -2.574
  467   1HB   HIS  69          1HB       HIS  69   6.991 -28.561  -2.984
  468   2HB   HIS  69          2HB       HIS  69   7.338 -28.224  -1.308
  469    HD1  HIS  69           1HD      HIS  69   5.583 -26.326  -4.295
  470    HD2  HIS  69           2HD      HIS  69   5.478 -26.919  -0.086
  471    HE1  HIS  69           1HE      HIS  69   3.468 -25.200  -3.450
  472    HE2  HIS  69           2HE      HIS  69   3.400 -25.532  -0.886
  473    H    HIS  70           H        HIS  70   8.117 -28.382  -4.942
  474    HA   HIS  70           HA       HIS  70   9.217 -26.448  -6.791
  475   1HB   HIS  70          1HB       HIS  70   7.046 -28.564  -7.198
  476   2HB   HIS  70          2HB       HIS  70   7.707 -27.554  -8.468
  477    HD1  HIS  70           1HD      HIS  70   7.952 -30.832  -8.318
  478    HD2  HIS  70           2HD      HIS  70  10.868 -27.832  -7.704
  479    HE1  HIS  70           1HE      HIS  70  10.234 -31.905  -8.850
  480    HE2  HIS  70           2HE      HIS  70  12.003 -30.069  -8.472
  Start of MODEL    7
    1   1H    GLU   1          1H        GLU   1 -14.459  -6.563  -4.437
    2   2H    GLU   1          2H        GLU   1 -12.872  -6.059  -4.422
    3   3H    GLU   1          H         GLU   1 -13.552  -6.850  -3.122
    4    HA   GLU   1           HA       GLU   1 -12.059  -8.225  -4.494
    5   1HB   GLU   1          1HB       GLU   1 -13.814 -10.128  -4.787
    6   2HB   GLU   1          2HB       GLU   1 -13.279  -9.594  -3.220
    7   1HG   GLU   1          1HG       GLU   1 -15.948  -8.922  -4.477
    8   2HG   GLU   1          2HG       GLU   1 -15.654 -10.046  -3.144
    9    H    ALA   2           H        ALA   2 -11.268  -7.813  -6.439
   10    HA   ALA   2           HA       ALA   2 -12.763  -8.458  -8.797
   11   1HB   ALA   2          1HB       ALA   2 -13.607  -6.151  -8.570
   12   2HB   ALA   2          2HB       ALA   2 -11.956  -5.530  -8.366
   13   3HB   ALA   2          3HB       ALA   2 -12.457  -6.242  -9.915
   14    H    GLU   3           H        GLU   3 -10.018  -6.475  -7.597
   15    HA   GLU   3           HA       GLU   3  -8.155  -7.489  -9.575
   16   1HB   GLU   3          1HB       GLU   3  -7.312  -6.083  -7.017
   17   2HB   GLU   3          2HB       GLU   3  -6.609  -6.030  -8.614
   18   1HG   GLU   3          1HG       GLU   3  -7.484  -3.919  -8.375
   19   2HG   GLU   3          2HG       GLU   3  -8.721  -4.715  -9.341
   20    H    ALA   4           H        ALA   4  -8.682  -7.783  -6.073
   21    HA   ALA   4           HA       ALA   4  -7.337 -10.418  -6.046
   22   1HB   ALA   4          1HB       ALA   4  -7.225  -8.293  -3.869
   23   2HB   ALA   4          2HB       ALA   4  -6.585  -9.943  -3.727
   24   3HB   ALA   4          3HB       ALA   4  -5.888  -8.817  -4.904
   25    H    GLU   5           H        GLU   5  -8.045 -11.519  -3.914
   26    HA   GLU   5           HA       GLU   5 -10.704 -12.385  -4.068
   27   1HB   GLU   5          1HB       GLU   5  -8.595 -12.555  -1.883
   28   2HB   GLU   5          2HB       GLU   5 -10.115 -13.459  -1.837
   29   1HG   GLU   5          1HG       GLU   5  -9.560 -14.717  -3.812
   30   2HG   GLU   5          2HG       GLU   5  -8.168 -13.692  -4.164
   31    H    PHE   6           H        PHE   6  -9.444  -9.575  -2.494
   32    HA   PHE   6           HA       PHE   6 -12.033  -8.738  -1.559
   33   1HB   PHE   6          1HB       PHE   6 -11.169  -9.837   0.469
   34   2HB   PHE   6          2HB       PHE   6  -9.621  -9.013   0.294
   35    HD1  PHE   6           1HD      PHE   6  -9.271  -7.135   1.683
   36    HD2  PHE   6           2HD      PHE   6 -13.296  -8.110   0.440
   37    HE1  PHE   6           1HE      PHE   6 -10.145  -5.195   2.950
   38    HE2  PHE   6           2HE      PHE   6 -14.144  -6.151   1.670
   39    HZ   PHE   6           HZ       PHE   6 -12.571  -4.680   2.928
   40    H    THR   7           H        THR   7 -11.711  -6.235  -1.093
   41    HA   THR   7           HA       THR   7  -9.274  -5.219  -2.465
   42    HB   THR   7           HB       THR   7 -12.023  -4.028  -2.810
   43    HG1  THR   7           1HG      THR   7 -10.615  -4.997  -5.025
   44   1HG2  THR   7          1HG2      THR   7 -10.986  -2.446  -4.297
   45   2HG2  THR   7          2HG2      THR   7 -10.015  -2.430  -2.822
   46   3HG2  THR   7          3HG2      THR   7  -9.446  -3.296  -4.259
   47    H    ASP   8           H        ASP   8  -8.222  -4.813  -0.603
   48    HA   ASP   8           HA       ASP   8  -9.464  -3.230   1.580
   49   1HB   ASP   8          1HB       ASP   8  -7.826  -4.889   2.289
   50   2HB   ASP   8          2HB       ASP   8  -6.674  -4.361   1.057
   51    H    ALA   9           H        ALA   9  -8.034  -1.168   2.111
   52    HA   ALA   9           HA       ALA   9  -8.207   0.799   0.059
   53   1HB   ALA   9          1HB       ALA   9  -6.559   2.069   1.406
   54   2HB   ALA   9          2HB       ALA   9  -7.801   1.369   2.475
   55   3HB   ALA   9          3HB       ALA   9  -6.180   0.633   2.357
   56    H    CYS  10           H        CYS  10  -5.614  -1.513   0.875
   57    HA   CYS  10           HA       CYS  10  -3.530  -0.165  -0.588
   58   1HB   CYS  10          1HB       CYS  10  -2.223  -2.102  -0.134
   59   2HB   CYS  10          2HB       CYS  10  -3.242  -1.810   1.273
   60    H    VAL  11           H        VAL  11  -6.097  -2.366  -1.550
   61    HA   VAL  11           HA       VAL  11  -4.826  -3.195  -4.035
   62    HB   VAL  11           HB       VAL  11  -7.679  -3.470  -3.031
   63   1HG1  VAL  11          1HG1      VAL  11  -7.331  -3.965  -5.471
   64   2HG1  VAL  11          2HG1      VAL  11  -6.170  -5.236  -5.001
   65   3HG1  VAL  11          3HG1      VAL  11  -7.875  -5.359  -4.536
   66   1HG2  VAL  11          1HG2      VAL  11  -6.279  -4.530  -1.371
   67   2HG2  VAL  11          2HG2      VAL  11  -6.982  -5.805  -2.362
   68   3HG2  VAL  11          3HG2      VAL  11  -5.296  -5.317  -2.621
   69    H    LEU  12           H        LEU  12  -6.630  -0.483  -2.864
   70    HA   LEU  12           HA       LEU  12  -7.701   0.448  -5.348
   71   1HB   LEU  12          1HB       LEU  12  -9.040   1.103  -3.923
   72   2HB   LEU  12          2HB       LEU  12  -7.990   1.187  -2.529
   73    HG   LEU  12           HG       LEU  12  -7.292   3.478  -3.443
   74   1HD1  LEU  12          1HD1      LEU  12  -7.987   3.602  -5.729
   75   2HD1  LEU  12          2HD1      LEU  12  -9.572   2.855  -5.396
   76   3HD1  LEU  12          3HD1      LEU  12  -9.226   4.519  -4.899
   77   1HD2  LEU  12          1HD2      LEU  12  -9.366   4.510  -2.551
   78   2HD2  LEU  12          2HD2      LEU  12 -10.199   2.946  -2.700
   79   3HD2  LEU  12          3HD2      LEU  12  -8.832   3.123  -1.586
   80    HA   PRO  13           HA       PRO  13  -3.878   2.300  -6.718
   81   1HB   PRO  13          1HB       PRO  13  -5.827   4.145  -8.082
   82   2HB   PRO  13          2HB       PRO  13  -4.387   3.341  -8.768
   83   1HG   PRO  13          1HG       PRO  13  -6.898   2.369  -9.255
   84   2HG   PRO  13          2HG       PRO  13  -5.513   1.266  -8.972
   85   1HD   PRO  13          1HD       PRO  13  -7.740   1.978  -7.057
   86   2HD   PRO  13          2HD       PRO  13  -6.853   0.466  -7.248
   87    H    ALA  14           H        ALA  14  -2.792   4.335  -6.561
   88    HA   ALA  14           HA       ALA  14  -3.486   5.761  -4.098
   89   1HB   ALA  14          1HB       ALA  14  -1.282   6.792  -4.381
   90   2HB   ALA  14          2HB       ALA  14  -1.160   5.040  -4.572
   91   3HB   ALA  14          3HB       ALA  14  -1.124   6.099  -6.007
   92    H    VAL  15           H        VAL  15  -3.404   8.145  -4.005
   93    HA   VAL  15           HA       VAL  15  -4.063   9.636  -6.453
   94    HB   VAL  15           HB       VAL  15  -5.661   9.450  -3.894
   95   1HG1  VAL  15          1HG1      VAL  15  -7.059  11.349  -4.598
   96   2HG1  VAL  15          2HG1      VAL  15  -5.440  11.811  -4.119
   97   3HG1  VAL  15          3HG1      VAL  15  -5.866  11.747  -5.858
   98   1HG2  VAL  15          1HG2      VAL  15  -6.327   7.972  -5.811
   99   2HG2  VAL  15          2HG2      VAL  15  -7.584   9.151  -5.422
  100   3HG2  VAL  15          3HG2      VAL  15  -6.527   9.403  -6.830
  101    H    GLN  16           H        GLN  16  -3.436  11.800  -6.200
  102    HA   GLN  16           HA       GLN  16  -1.054  12.154  -4.498
  103   1HB   GLN  16          1HB       GLN  16  -2.373  14.277  -6.257
  104   2HB   GLN  16          2HB       GLN  16  -0.797  14.328  -5.488
  105   1HG   GLN  16          1HG       GLN  16  -0.162  12.342  -6.983
  106   2HG   GLN  16          2HG       GLN  16  -1.674  12.652  -7.859
  107   1HE2  GLN  16          1HE2      GLN  16   1.602  13.567  -7.543
  108   2HE2  GLN  16          2HE2      GLN  16   1.525  15.138  -8.306
  109    H    GLY  17           H        GLY  17  -4.089  13.946  -5.001
  110   1HA   GLY  17          1HA       GLY  17  -5.537  14.473  -3.071
  111   2HA   GLY  17          2HA       GLY  17  -4.066  15.027  -2.240
  112    HA   PRO  18           HA       PRO  18  -6.009  18.290  -5.062
  113   1HB   PRO  18          1HB       PRO  18  -6.769  20.163  -3.159
  114   2HB   PRO  18          2HB       PRO  18  -7.807  18.847  -3.777
  115   1HG   PRO  18          1HG       PRO  18  -6.233  18.936  -1.207
  116   2HG   PRO  18          2HG       PRO  18  -7.880  18.302  -1.488
  117   1HD   PRO  18          1HD       PRO  18  -5.668  16.677  -1.336
  118   2HD   PRO  18          2HD       PRO  18  -7.052  16.277  -2.371
  119    H    CYS  19           H        CYS  19  -3.892  18.661  -2.198
  120    HA   CYS  19           HA       CYS  19  -2.661  21.081  -2.991
  121   1HB   CYS  19          1HB       CYS  19  -1.290  18.884  -1.440
  122   2HB   CYS  19          2HB       CYS  19  -0.997  20.583  -1.304
  123    H    ARG  20           H        ARG  20  -0.485  21.314  -3.562
  124    HA   ARG  20           HA       ARG  20   0.568  19.413  -5.595
  125   1HB   ARG  20          1HB       ARG  20   0.385  22.395  -5.756
  126   2HB   ARG  20          2HB       ARG  20   1.679  21.550  -6.554
  127   1HG   ARG  20          1HG       ARG  20  -0.098  22.083  -8.084
  128   2HG   ARG  20          2HG       ARG  20   0.184  20.368  -8.005
  129   1HD   ARG  20          1HD       ARG  20  -2.129  21.679  -6.543
  130   2HD   ARG  20          2HD       ARG  20  -2.221  21.268  -8.258
  131    HE   ARG  20           HE       ARG  20  -2.600  19.536  -6.060
  132   1HH1  ARG  20          2HH2      ARG  20  -1.477  19.403  -9.415
  133   2HH1  ARG  20          1HH2      ARG  20  -1.532  17.659  -9.474
  134   1HH2  ARG  20          2HH1      ARG  20  -2.631  17.261  -6.158
  135   2HH2  ARG  20          1HH1      ARG  20  -2.061  16.444  -7.586
  136    H    GLY  21           H        GLY  21   1.103  20.115  -2.652
  137   1HA   GLY  21          1HA       GLY  21   4.049  20.587  -2.659
  138   2HA   GLY  21          2HA       GLY  21   3.046  20.159  -1.229
  139    H    TRP  22           H        TRP  22   5.490  18.538  -2.137
  140    HA   TRP  22           HA       TRP  22   4.078  16.092  -3.042
  141   1HB   TRP  22          1HB       TRP  22   6.813  17.064  -3.895
  142   2HB   TRP  22          2HB       TRP  22   6.054  15.567  -4.372
  143    HD1  TRP  22           HD       TRP  22   7.030  18.340  -6.021
  144    HE1  TRP  22           1HE      TRP  22   5.496  19.240  -7.851
  145    HE3  TRP  22           3HE      TRP  22   2.631  16.076  -4.626
  146    HZ2  TRP  22           2HZ      TRP  22   2.733  18.944  -8.679
  147    HZ3  TRP  22           3HZ      TRP  22   0.589  16.424  -5.932
  148    HH2  TRP  22           HH       TRP  22   0.641  17.796  -8.005
  149    H    GLU  23           H        GLU  23   3.994  14.906  -1.408
  150    HA   GLU  23           HA       GLU  23   6.255  14.441   0.470
  151   1HB   GLU  23          1HB       GLU  23   4.214  15.084   1.587
  152   2HB   GLU  23          2HB       GLU  23   3.238  13.982   0.625
  153   1HG   GLU  23          1HG       GLU  23   3.383  13.039   2.728
  154   2HG   GLU  23          2HG       GLU  23   4.368  12.050   1.665
  155    HA   PRO  24           HA       PRO  24   6.436  10.568  -2.109
  156   1HB   PRO  24          1HB       PRO  24   8.727   9.524  -1.095
  157   2HB   PRO  24          2HB       PRO  24   8.732  10.914  -2.223
  158   1HG   PRO  24          1HG       PRO  24   8.982  10.964   0.798
  159   2HG   PRO  24          2HG       PRO  24   9.963  11.847  -0.412
  160   1HD   PRO  24          1HD       PRO  24   7.838  12.966   0.924
  161   2HD   PRO  24          2HD       PRO  24   8.276  13.448  -0.741
  162    H    ARG  25           H        ARG  25   5.156   8.905  -1.629
  163    HA   ARG  25           HA       ARG  25   5.398   7.611   1.047
  164   1HB   ARG  25          1HB       ARG  25   2.809   8.331  -0.392
  165   2HB   ARG  25          2HB       ARG  25   2.878   7.206   0.968
  166   1HG   ARG  25          1HG       ARG  25   3.744  10.113   1.063
  167   2HG   ARG  25          2HG       ARG  25   2.188   9.496   1.598
  168   1HD   ARG  25          1HD       ARG  25   3.268   8.095   3.296
  169   2HD   ARG  25          2HD       ARG  25   4.863   8.637   2.788
  170    HE   ARG  25           HE       ARG  25   4.617  10.681   3.796
  171   1HH1  ARG  25          2HH2      ARG  25   1.444   9.078   3.946
  172   2HH1  ARG  25          1HH2      ARG  25   0.747  10.292   4.967
  173   1HH2  ARG  25          2HH1      ARG  25   3.815  12.143   5.070
  174   2HH2  ARG  25          1HH1      ARG  25   2.192  12.148   5.732
  175    H    TRP  26           H        TRP  26   4.104   5.390   0.882
  176    HA   TRP  26           HA       TRP  26   4.951   4.088  -1.677
  177   1HB   TRP  26          1HB       TRP  26   5.008   3.190   1.226
  178   2HB   TRP  26          2HB       TRP  26   4.963   2.031  -0.096
  179    HD1  TRP  26           HD       TRP  26   7.254   4.781   1.343
  180    HE1  TRP  26           1HE      TRP  26   9.608   4.488   0.396
  181    HE3  TRP  26           3HE      TRP  26   6.323   0.923  -1.860
  182    HZ2  TRP  26           2HZ      TRP  26  10.922   2.791  -1.610
  183    HZ3  TRP  26           3HZ      TRP  26   8.025   0.254  -3.531
  184    HH2  TRP  26           HH       TRP  26  10.343   0.998  -3.284
  185    H    ALA  27           H        ALA  27   3.378   2.787  -2.721
  186    HA   ALA  27           HA       ALA  27   0.866   2.304  -1.273
  187   1HB   ALA  27          1HB       ALA  27   1.020   3.647  -4.007
  188   2HB   ALA  27          2HB       ALA  27  -0.412   2.799  -3.416
  189   3HB   ALA  27          3HB       ALA  27   0.159   4.207  -2.534
  190    H    TYR  28           H        TYR  28  -0.187   0.470  -1.943
  191    HA   TYR  28           HA       TYR  28   1.470  -1.491  -3.399
  192   1HB   TYR  28          1HB       TYR  28   0.302  -2.180  -1.327
  193   2HB   TYR  28          2HB       TYR  28  -1.215  -1.740  -2.037
  194    HD1  TYR  28           1HD      TYR  28  -2.508  -3.539  -2.809
  195    HD2  TYR  28           2HD      TYR  28   1.784  -3.819  -3.141
  196    HE1  TYR  28           1HE      TYR  28  -2.733  -5.729  -3.916
  197    HE2  TYR  28           2HE      TYR  28   1.561  -6.000  -4.242
  198    HH   TYR  28           HH       TYR  28  -0.888  -7.796  -3.911
  199    H    SER  29           H        SER  29   0.999  -2.254  -5.448
  200    HA   SER  29           HA       SER  29  -1.505  -1.300  -6.694
  201   1HB   SER  29          1HB       SER  29   1.299  -1.128  -7.696
  202   2HB   SER  29          2HB       SER  29  -0.019  -1.094  -8.832
  203    HG   SER  29           HG       SER  29  -0.545   0.366  -6.588
  204    HA   PRO  30           HA       PRO  30  -1.608  -5.806  -6.977
  205   1HB   PRO  30          1HB       PRO  30  -4.186  -6.090  -7.867
  206   2HB   PRO  30          2HB       PRO  30  -3.769  -5.791  -6.150
  207   1HG   PRO  30          1HG       PRO  30  -4.622  -3.773  -8.243
  208   2HG   PRO  30          2HG       PRO  30  -5.234  -3.950  -6.585
  209   1HD   PRO  30          1HD       PRO  30  -3.354  -2.113  -7.194
  210   2HD   PRO  30          2HD       PRO  30  -3.274  -2.999  -5.644
  211    H    LEU  31           H        LEU  31  -2.767  -3.450  -9.431
  212    HA   LEU  31           HA       LEU  31  -2.494  -5.107 -11.701
  213   1HB   LEU  31          1HB       LEU  31  -2.273  -2.075 -11.511
  214   2HB   LEU  31          2HB       LEU  31  -2.534  -3.026 -12.954
  215    HG   LEU  31           HG       LEU  31  -4.615  -3.902 -11.297
  216   1HD1  LEU  31          1HD1      LEU  31  -4.109  -2.013  -9.712
  217   2HD1  LEU  31          2HD1      LEU  31  -4.400  -0.868 -11.035
  218   3HD1  LEU  31          3HD1      LEU  31  -5.713  -1.903 -10.441
  219   1HD2  LEU  31          1HD2      LEU  31  -4.707  -1.701 -13.403
  220   2HD2  LEU  31          2HD2      LEU  31  -4.800  -3.452 -13.701
  221   3HD2  LEU  31          3HD2      LEU  31  -6.089  -2.646 -12.802
  222    H    LEU  32           H        LEU  32  -0.044  -3.627  -9.737
  223    HA   LEU  32           HA       LEU  32   2.038  -4.067 -11.835
  224   1HB   LEU  32          1HB       LEU  32   1.884  -2.418  -9.321
  225   2HB   LEU  32          2HB       LEU  32   3.440  -2.832  -9.990
  226    HG   LEU  32           HG       LEU  32   1.307  -1.404 -11.636
  227   1HD1  LEU  32          1HD1      LEU  32   2.651   0.660 -11.269
  228   2HD1  LEU  32          2HD1      LEU  32   1.903   0.059  -9.792
  229   3HD1  LEU  32          3HD1      LEU  32   3.643  -0.215 -10.081
  230   1HD2  LEU  32          1HD2      LEU  32   3.235  -0.794 -13.089
  231   2HD2  LEU  32          2HD2      LEU  32   4.312  -1.772 -12.064
  232   3HD2  LEU  32          3HD2      LEU  32   3.017  -2.538 -13.005
  233    H    GLN  33           H        GLN  33   0.436  -5.536  -9.350
  234    HA   GLN  33           HA       GLN  33   0.690  -7.122  -7.886
  235   1HB   GLN  33          1HB       GLN  33   1.276  -8.166 -10.175
  236   2HB   GLN  33          2HB       GLN  33   2.960  -8.128  -9.657
  237   1HG   GLN  33          1HG       GLN  33   1.386  -9.258  -7.540
  238   2HG   GLN  33          2HG       GLN  33   0.838 -10.000  -9.032
  239   1HE2  GLN  33          1HE2      GLN  33   4.005  -9.121  -7.520
  240   2HE2  GLN  33          2HE2      GLN  33   4.784 -10.661  -7.928
  241    H    GLN  34           H        GLN  34   2.161  -4.632  -7.259
  242    HA   GLN  34           HA       GLN  34   4.082  -5.674  -5.305
  243   1HB   GLN  34          1HB       GLN  34   5.148  -5.623  -7.766
  244   2HB   GLN  34          2HB       GLN  34   5.179  -3.875  -7.466
  245   1HG   GLN  34          1HG       GLN  34   6.661  -4.128  -5.606
  246   2HG   GLN  34          2HG       GLN  34   6.571  -5.895  -5.719
  247   1HE2  GLN  34          1HE2      GLN  34   6.769  -6.051  -8.677
  248   2HE2  GLN  34          2HE2      GLN  34   8.429  -5.607  -9.036
  249    H    CYS  35           H        CYS  35   5.161  -3.812  -4.209
  250    HA   CYS  35           HA       CYS  35   3.378  -1.401  -4.120
  251   1HB   CYS  35          1HB       CYS  35   5.522  -2.332  -2.214
  252   2HB   CYS  35          2HB       CYS  35   4.757  -0.763  -2.120
  253    H    HIS  36           H        HIS  36   4.174   0.618  -4.321
  254    HA   HIS  36           HA       HIS  36   6.944   0.976  -5.360
  255   1HB   HIS  36          1HB       HIS  36   6.208   2.099  -7.380
  256   2HB   HIS  36          2HB       HIS  36   5.565   0.466  -7.334
  257    HD1  HIS  36           1HD      HIS  36   4.378   4.116  -6.741
  258    HD2  HIS  36           2HD      HIS  36   2.831   0.230  -7.552
  259    HE1  HIS  36           1HE      HIS  36   1.849   4.358  -7.131
  260    HE2  HIS  36           2HE      HIS  36   0.977   1.938  -7.608
  261    HA   PRO  37           HA       PRO  37   6.556   4.866  -3.165
  262   1HB   PRO  37          1HB       PRO  37   8.176   6.236  -5.255
  263   2HB   PRO  37          2HB       PRO  37   8.537   6.027  -3.518
  264   1HG   PRO  37          1HG       PRO  37   9.876   4.660  -5.510
  265   2HG   PRO  37          2HG       PRO  37   9.578   3.977  -3.887
  266   1HD   PRO  37          1HD       PRO  37   8.089   3.437  -6.453
  267   2HD   PRO  37          2HD       PRO  37   8.560   2.313  -5.153
  268    H    PHE  38           H        PHE  38   5.492   7.142  -3.579
  269    HA   PHE  38           HA       PHE  38   4.695   7.678  -6.293
  270   1HB   PHE  38          1HB       PHE  38   2.374   7.594  -6.109
  271   2HB   PHE  38          2HB       PHE  38   2.912   6.047  -5.505
  272    HD1  PHE  38           1HD      PHE  38   2.948   5.692  -2.908
  273    HD2  PHE  38           2HD      PHE  38   0.946   9.008  -4.828
  274    HE1  PHE  38           1HE      PHE  38   1.381   5.913  -0.984
  275    HE2  PHE  38           2HE      PHE  38  -0.561   9.202  -2.899
  276    HZ   PHE  38           HZ       PHE  38  -0.377   7.629  -0.989
  277    H    VAL  39           H        VAL  39   3.579   9.792  -6.401
  278    HA   VAL  39           HA       VAL  39   4.681  11.620  -4.359
  279    HB   VAL  39           HB       VAL  39   3.443  12.097  -7.120
  280   1HG1  VAL  39          1HG1      VAL  39   4.307  14.427  -6.807
  281   2HG1  VAL  39          2HG1      VAL  39   3.023  13.998  -5.666
  282   3HG1  VAL  39          3HG1      VAL  39   4.706  14.008  -5.124
  283   1HG2  VAL  39          1HG2      VAL  39   6.342  12.263  -6.170
  284   2HG2  VAL  39          2HG2      VAL  39   5.681  11.055  -7.293
  285   3HG2  VAL  39          3HG2      VAL  39   5.752  12.754  -7.770
  286    H    TYR  40           H        TYR  40   3.379  11.993  -2.712
  287    HA   TYR  40           HA       TYR  40   0.428  12.035  -2.983
  288   1HB   TYR  40          1HB       TYR  40   1.182  10.276  -1.508
  289   2HB   TYR  40          2HB       TYR  40   2.375  11.292  -0.779
  290    HD1  TYR  40           1HD      TYR  40   2.010  11.894   1.346
  291    HD2  TYR  40           2HD      TYR  40  -1.395  11.474  -1.267
  292    HE1  TYR  40           1HE      TYR  40   0.539  12.474   3.207
  293    HE2  TYR  40           2HE      TYR  40  -2.885  12.153   0.598
  294    HH   TYR  40           HH       TYR  40  -2.817  13.195   2.784
  295    H    GLY  41           H        GLY  41  -0.479  13.847  -1.517
  296   1HA   GLY  41          1HA       GLY  41   1.340  16.198  -1.634
  297   2HA   GLY  41          2HA       GLY  41  -0.351  16.247  -2.028
  298    H    GLY  42           H        GLY  42   0.258  14.322   0.745
  299   1HA   GLY  42          1HA       GLY  42   0.447  14.659   2.977
  300   2HA   GLY  42          2HA       GLY  42   0.703  16.395   2.737
  301    H    CYS  43           H        CYS  43  -1.763  16.902   1.329
  302    HA   CYS  43           HA       CYS  43  -3.742  16.762   3.486
  303   1HB   CYS  43          1HB       CYS  43  -5.091  18.136   1.935
  304   2HB   CYS  43          2HB       CYS  43  -3.514  18.805   2.287
  305    H    GLU  44           H        GLU  44  -6.070  16.351   2.260
  306    HA   GLU  44           HA       GLU  44  -6.816  13.834   2.440
  307   1HB   GLU  44          1HB       GLU  44  -7.831  15.578   0.191
  308   2HB   GLU  44          2HB       GLU  44  -8.635  14.198   0.936
  309   1HG   GLU  44          1HG       GLU  44  -9.646  15.957   2.002
  310   2HG   GLU  44          2HG       GLU  44  -8.434  15.488   3.176
  311    H    GLY  45           H        GLY  45  -6.683  11.847   1.385
  312   1HA   GLY  45          1HA       GLY  45  -6.210  11.512  -1.394
  313   2HA   GLY  45          2HA       GLY  45  -4.784  11.067  -0.452
  314    H    ASN  46           H        ASN  46  -5.436   8.766  -1.254
  315    HA   ASN  46           HA       ASN  46  -7.863   7.725   0.110
  316   1HB   ASN  46          1HB       ASN  46  -6.026   6.009  -1.559
  317   2HB   ASN  46          2HB       ASN  46  -7.693   5.736  -1.132
  318   1HD2  ASN  46          1HD2      ASN  46  -6.941   5.416  -3.886
  319   2HD2  ASN  46          2HD2      ASN  46  -7.722   6.747  -4.686
  320    H    GLY  47           H        GLY  47  -7.447   5.393   0.912
  321   1HA   GLY  47          1HA       GLY  47  -5.779   5.708   3.287
  322   2HA   GLY  47          2HA       GLY  47  -6.816   4.326   2.912
  323    H    ASN  48           H        ASN  48  -5.213   4.386   0.163
  324    HA   ASN  48           HA       ASN  48  -3.186   2.434   0.945
  325   1HB   ASN  48          1HB       ASN  48  -4.468   2.151  -1.047
  326   2HB   ASN  48          2HB       ASN  48  -3.967   3.612  -1.772
  327   1HD2  ASN  48          1HD2      ASN  48  -3.559   1.478  -3.247
  328   2HD2  ASN  48          2HD2      ASN  48  -2.055   0.629  -3.122
  329    H    ASN  49           H        ASN  49  -2.068   3.844   2.390
  330    HA   ASN  49           HA       ASN  49   0.002   5.467   1.027
  331   1HB   ASN  49          1HB       ASN  49  -2.062   6.845   1.793
  332   2HB   ASN  49          2HB       ASN  49  -1.588   6.459   3.442
  333   1HD2  ASN  49          1HD2      ASN  49  -1.509   8.886   1.338
  334   2HD2  ASN  49          2HD2      ASN  49  -0.013   9.675   1.726
  335    H    PHE  50           H        PHE  50   1.755   4.328   1.663
  336    HA   PHE  50           HA       PHE  50   1.915   3.234   4.404
  337   1HB   PHE  50          1HB       PHE  50   3.031   2.145   1.794
  338   2HB   PHE  50          2HB       PHE  50   3.436   1.503   3.314
  339    HD1  PHE  50           1HD      PHE  50   0.621   1.886   0.911
  340    HD2  PHE  50           2HD      PHE  50   1.778   0.277   4.749
  341    HE1  PHE  50           1HE      PHE  50  -1.565   0.724   1.111
  342    HE2  PHE  50           2HE      PHE  50  -0.431  -0.827   4.935
  343    HZ   PHE  50           HZ       PHE  50  -2.142  -0.540   3.128
  344    H    HIS  51           H        HIS  51   4.124   2.922   5.127
  345    HA   HIS  51           HA       HIS  51   5.451   5.550   4.962
  346   1HB   HIS  51          1HB       HIS  51   6.088   3.213   6.803
  347   2HB   HIS  51          2HB       HIS  51   6.447   4.904   7.042
  348    HD1  HIS  51           1HD      HIS  51   4.092   6.458   7.624
  349    HD2  HIS  51           2HD      HIS  51   3.792   2.253   7.457
  350    HE1  HIS  51           1HE      HIS  51   1.763   5.850   8.580
  351    HE2  HIS  51           2HE      HIS  51   1.594   3.277   8.492
  352    H    SER  52           H        SER  52   5.931   2.279   3.869
  353    HA   SER  52           HA       SER  52   8.594   2.880   2.849
  354   1HB   SER  52          1HB       SER  52   9.567   0.894   4.214
  355   2HB   SER  52          2HB       SER  52   9.333   2.419   5.065
  356    HG   SER  52           HG       SER  52   8.535   0.457   6.183
  357    H    ARG  53           H        ARG  53   9.500   0.919   1.854
  358    HA   ARG  53           HA       ARG  53   7.640  -0.484   0.152
  359   1HB   ARG  53          1HB       ARG  53   9.974  -0.033  -0.476
  360   2HB   ARG  53          2HB       ARG  53  10.554  -1.013   0.865
  361   1HG   ARG  53          1HG       ARG  53  10.653  -2.187  -1.236
  362   2HG   ARG  53          2HG       ARG  53   9.599  -3.029  -0.104
  363   1HD   ARG  53          1HD       ARG  53   7.640  -1.986  -1.357
  364   2HD   ARG  53          2HD       ARG  53   8.772  -1.333  -2.498
  365    HE   ARG  53           HE       ARG  53   8.415  -4.253  -1.916
  366   1HH1  ARG  53          2HH2      ARG  53   8.440  -1.965  -4.571
  367   2HH1  ARG  53          1HH2      ARG  53   9.131  -3.118  -5.661
  368   1HH2  ARG  53          2HH1      ARG  53   8.689  -5.670  -3.391
  369   2HH2  ARG  53          1HH1      ARG  53   9.221  -5.311  -5.030
  370    H    GLU  54           H        GLU  54   9.555  -1.371   2.955
  371    HA   GLU  54           HA       GLU  54   8.843  -3.962   3.544
  372   1HB   GLU  54          1HB       GLU  54  10.592  -2.922   4.634
  373   2HB   GLU  54          2HB       GLU  54   9.801  -1.436   4.895
  374   1HG   GLU  54          1HG       GLU  54   8.911  -3.840   6.513
  375   2HG   GLU  54          2HG       GLU  54  10.474  -3.093   6.870
  376    H    SER  55           H        SER  55   7.459  -1.251   5.302
  377    HA   SER  55           HA       SER  55   5.405  -2.769   6.318
  378   1HB   SER  55          1HB       SER  55   4.126  -0.672   6.848
  379   2HB   SER  55          2HB       SER  55   5.817  -0.626   7.339
  380    HG   SER  55           HG       SER  55   6.306   0.676   5.658
  381    H    CYS  56           H        CYS  56   5.350  -1.301   3.188
  382    HA   CYS  56           HA       CYS  56   2.528  -1.741   2.752
  383   1HB   CYS  56          1HB       CYS  56   4.302  -0.165   1.531
  384   2HB   CYS  56          2HB       CYS  56   4.858  -1.584   0.735
  385    H    GLU  57           H        GLU  57   5.434  -3.538   1.767
  386    HA   GLU  57           HA       GLU  57   3.676  -5.553   0.558
  387   1HB   GLU  57          1HB       GLU  57   6.687  -5.517   0.886
  388   2HB   GLU  57          2HB       GLU  57   5.765  -6.899   0.234
  389   1HG   GLU  57          1HG       GLU  57   4.572  -5.222  -1.319
  390   2HG   GLU  57          2HG       GLU  57   5.750  -4.022  -0.784
  391    H    ASP  58           H        ASP  58   5.110  -5.126   3.783
  392    HA   ASP  58           HA       ASP  58   4.293  -7.780   4.631
  393   1HB   ASP  58          1HB       ASP  58   5.892  -6.516   5.981
  394   2HB   ASP  58          2HB       ASP  58   4.705  -5.227   6.233
  395    H    ALA  59           H        ALA  59   2.559  -4.514   4.246
  396    HA   ALA  59           HA       ALA  59   0.299  -5.501   5.711
  397   1HB   ALA  59          1HB       ALA  59  -0.848  -3.548   4.725
  398   2HB   ALA  59          2HB       ALA  59   0.709  -3.113   5.457
  399   3HB   ALA  59          3HB       ALA  59   0.554  -3.237   3.687
  400    H    CYS  60           H        CYS  60   1.004  -5.245   2.161
  401    HA   CYS  60           HA       CYS  60  -1.334  -7.015   1.725
  402   1HB   CYS  60          1HB       CYS  60  -0.619  -4.487   0.313
  403   2HB   CYS  60          2HB       CYS  60  -1.662  -5.729  -0.393
  404    HA   PRO  61           HA       PRO  61   1.619  -9.346  -0.833
  405   1HB   PRO  61          1HB       PRO  61   0.400 -11.757  -0.670
  406   2HB   PRO  61          2HB       PRO  61   1.202 -11.040   0.754
  407   1HG   PRO  61          1HG       PRO  61  -1.752 -10.922   0.047
  408   2HG   PRO  61          2HG       PRO  61  -1.007 -11.449   1.594
  409   1HD   PRO  61          1HD       PRO  61  -1.905  -8.906   1.157
  410   2HD   PRO  61          2HD       PRO  61  -0.498  -9.243   2.211
  411    H    VAL  62           H        VAL  62   0.565 -11.202  -2.521
  412    HA   VAL  62           HA       VAL  62  -0.942  -9.659  -4.593
  413    HB   VAL  62           HB       VAL  62   0.476 -12.366  -4.690
  414   1HG1  VAL  62          1HG1      VAL  62  -0.871 -12.267  -6.637
  415   2HG1  VAL  62          2HG1      VAL  62  -0.516 -10.541  -6.901
  416   3HG1  VAL  62          3HG1      VAL  62   0.713 -11.801  -7.170
  417   1HG2  VAL  62          1HG2      VAL  62   2.395 -11.154  -5.784
  418   2HG2  VAL  62          2HG2      VAL  62   1.636  -9.615  -5.302
  419   3HG2  VAL  62          3HG2      VAL  62   2.201 -10.770  -4.087
  420    H    VAL  63           H        VAL  63  -2.367 -11.782  -5.809
  421    HA   VAL  63           HA       VAL  63  -4.617 -12.263  -4.206
  422    HB   VAL  63           HB       VAL  63  -3.722 -14.484  -5.969
  423   1HG1  VAL  63          1HG1      VAL  63  -5.855 -14.649  -4.794
  424   2HG1  VAL  63          2HG1      VAL  63  -6.420 -13.175  -5.614
  425   3HG1  VAL  63          3HG1      VAL  63  -6.086 -14.640  -6.552
  426   1HG2  VAL  63          1HG2      VAL  63  -3.157 -12.558  -7.422
  427   2HG2  VAL  63          2HG2      VAL  63  -4.637 -13.312  -8.016
  428   3HG2  VAL  63          3HG2      VAL  63  -4.738 -11.813  -7.077
  429    H    ASP  64           H        ASP  64  -4.940 -13.701  -2.529
  430    HA   ASP  64           HA       ASP  64  -2.388 -14.353  -1.296
  431   1HB   ASP  64          1HB       ASP  64  -3.867 -13.089   0.046
  432   2HB   ASP  64          2HB       ASP  64  -5.094 -14.357  -0.013
  433    H    HIS  65           H        HIS  65  -1.431 -16.123  -1.403
  434    HA   HIS  65           HA       HIS  65  -2.755 -18.612  -1.935
  435   1HB   HIS  65          1HB       HIS  65   0.198 -17.817  -1.751
  436   2HB   HIS  65          2HB       HIS  65  -0.376 -19.441  -2.080
  437    HD1  HIS  65           1HD      HIS  65  -1.648 -16.163  -3.883
  438    HD2  HIS  65           2HD      HIS  65   0.531 -19.751  -4.545
  439    HE1  HIS  65           1HE      HIS  65  -1.171 -16.264  -6.359
  440    HE2  HIS  65           2HE      HIS  65   0.153 -18.441  -6.793
  441    H    HIS  66           H        HIS  66  -3.862 -18.124   0.058
  442    HA   HIS  66           HA       HIS  66  -3.354 -17.264   2.383
  443   1HB   HIS  66          1HB       HIS  66  -4.887 -19.843   2.090
  444   2HB   HIS  66          2HB       HIS  66  -5.045 -18.663   3.393
  445    HD1  HIS  66           1HD      HIS  66  -5.454 -15.942   2.114
  446    HD2  HIS  66           2HD      HIS  66  -6.595 -19.464   0.060
  447    HE1  HIS  66           1HE      HIS  66  -7.077 -15.263   0.255
  448    HE2  HIS  66           2HE      HIS  66  -7.670 -17.248  -1.010
  449    H    HIS  67           H        HIS  67  -1.324 -17.211   2.907
  450    HA   HIS  67           HA       HIS  67   0.163 -19.466   3.995
  451   1HB   HIS  67          1HB       HIS  67   1.752 -17.525   4.703
  452   2HB   HIS  67          2HB       HIS  67   1.578 -17.914   2.999
  453    HD1  HIS  67           1HD      HIS  67   0.765 -14.921   5.436
  454    HD2  HIS  67           2HD      HIS  67   0.224 -16.198   1.409
  455    HE1  HIS  67           1HE      HIS  67  -0.296 -13.042   4.227
  456    HE2  HIS  67           2HE      HIS  67  -0.739 -13.882   1.794
  457    H    HIS  68           H        HIS  68  -0.967 -20.278   5.754
  458    HA   HIS  68           HA       HIS  68  -2.083 -18.675   7.863
  459   1HB   HIS  68          1HB       HIS  68  -1.844 -20.910   9.185
  460   2HB   HIS  68          2HB       HIS  68  -3.006 -20.743   7.888
  461    HD1  HIS  68           1HD      HIS  68  -2.820 -22.452   5.887
  462    HD2  HIS  68           2HD      HIS  68   0.462 -22.385   8.567
  463    HE1  HIS  68           1HE      HIS  68  -1.350 -24.485   5.300
  464    HE2  HIS  68           2HE      HIS  68   0.647 -24.437   6.938
  465    H    HIS  69           H        HIS  69  -0.688 -17.141   8.312
  466    HA   HIS  69           HA       HIS  69   1.060 -16.984  10.441
  467   1HB   HIS  69          1HB       HIS  69   2.768 -18.088   9.019
  468   2HB   HIS  69          2HB       HIS  69   2.265 -17.151   7.621
  469    HD1  HIS  69           1HD      HIS  69   4.095 -16.394  11.011
  470    HD2  HIS  69           2HD      HIS  69   3.657 -15.072   7.006
  471    HE1  HIS  69           1HE      HIS  69   5.699 -14.390  10.690
  472    HE2  HIS  69           2HE      HIS  69   5.399 -13.603   8.245
  473    H    HIS  70           H        HIS  70   2.189 -14.455   9.316
  474    HA   HIS  70           HA       HIS  70  -0.302 -12.878   9.067
  475   1HB   HIS  70          1HB       HIS  70   1.663 -11.850  10.236
  476   2HB   HIS  70          2HB       HIS  70   2.663 -12.143   8.803
  477    HD1  HIS  70           1HD      HIS  70  -0.166 -10.960   7.093
  478    HD2  HIS  70           2HD      HIS  70   2.901  -9.257   9.433
  479    HE1  HIS  70           1HE      HIS  70   0.031  -8.454   6.446
  480    HE2  HIS  70           2HE      HIS  70   1.961  -7.529   7.867
  Start of MODEL    8
    1   1H    GLU   1          1H        GLU   1  -4.257   1.123   3.045
    2   2H    GLU   1          2H        GLU   1  -4.149  -0.515   3.243
    3   3H    GLU   1          H         GLU   1  -3.068   0.497   4.020
    4    HA   GLU   1           HA       GLU   1  -4.605  -0.330   5.556
    5   1HB   GLU   1          1HB       GLU   1  -4.645   2.604   4.865
    6   2HB   GLU   1          2HB       GLU   1  -5.837   2.018   6.016
    7   1HG   GLU   1          1HG       GLU   1  -3.996   2.794   7.284
    8   2HG   GLU   1          2HG       GLU   1  -4.056   1.040   7.427
    9    H    ALA   2           H        ALA   2  -6.933  -0.466   6.282
   10    HA   ALA   2           HA       ALA   2  -8.534  -1.424   4.083
   11   1HB   ALA   2          1HB       ALA   2 -10.203  -1.877   5.824
   12   2HB   ALA   2          2HB       ALA   2  -8.605  -2.462   6.323
   13   3HB   ALA   2          3HB       ALA   2  -9.258  -0.945   7.001
   14    H    GLU   3           H        GLU   3 -10.368  -0.574   3.221
   15    HA   GLU   3           HA       GLU   3 -11.341   2.101   4.096
   16   1HB   GLU   3          1HB       GLU   3 -10.590   1.281   1.277
   17   2HB   GLU   3          2HB       GLU   3 -11.859   2.482   1.570
   18   1HG   GLU   3          1HG       GLU   3 -10.329   3.892   2.850
   19   2HG   GLU   3          2HG       GLU   3  -9.046   2.692   2.698
   20    H    ALA   4           H        ALA   4 -12.013  -1.148   2.910
   21    HA   ALA   4           HA       ALA   4 -14.900  -0.667   3.342
   22   1HB   ALA   4          1HB       ALA   4 -13.646  -2.573   1.327
   23   2HB   ALA   4          2HB       ALA   4 -15.378  -2.425   1.688
   24   3HB   ALA   4          3HB       ALA   4 -14.515  -1.073   0.932
   25    H    GLU   5           H        GLU   5 -15.939  -2.741   4.104
   26    HA   GLU   5           HA       GLU   5 -14.948  -3.600   6.490
   27   1HB   GLU   5          1HB       GLU   5 -16.732  -5.126   4.552
   28   2HB   GLU   5          2HB       GLU   5 -16.555  -5.505   6.270
   29   1HG   GLU   5          1HG       GLU   5 -17.521  -3.359   6.910
   30   2HG   GLU   5          2HG       GLU   5 -17.583  -2.829   5.222
   31    H    PHE   6           H        PHE   6 -14.517  -5.275   3.352
   32    HA   PHE   6           HA       PHE   6 -12.065  -6.511   4.457
   33   1HB   PHE   6          1HB       PHE   6 -13.943  -8.091   4.883
   34   2HB   PHE   6          2HB       PHE   6 -14.368  -8.067   3.193
   35    HD1  PHE   6           1HD      PHE   6 -11.878  -9.211   5.683
   36    HD2  PHE   6           2HD      PHE   6 -13.275  -9.522   1.623
   37    HE1  PHE   6           1HE      PHE   6 -10.717 -11.391   5.456
   38    HE2  PHE   6           2HE      PHE   6 -12.124 -11.703   1.387
   39    HZ   PHE   6           HZ       PHE   6 -10.887 -12.674   3.315
   40    H    THR   7           H        THR   7 -11.143  -4.914   3.101
   41    HA   THR   7           HA       THR   7  -9.999  -5.843   0.747
   42    HB   THR   7           HB       THR   7 -12.309  -3.918   0.340
   43    HG1  THR   7           1HG      THR   7 -12.512  -6.124  -0.118
   44   1HG2  THR   7          1HG2      THR   7 -10.422  -2.697  -0.648
   45   2HG2  THR   7          2HG2      THR   7  -9.876  -4.171  -1.484
   46   3HG2  THR   7          3HG2      THR   7 -11.419  -3.405  -1.921
   47    H    ASP   8           H        ASP   8  -8.127  -4.540   0.441
   48    HA   ASP   8           HA       ASP   8  -7.758  -2.360   2.428
   49   1HB   ASP   8          1HB       ASP   8  -6.168  -4.279   2.662
   50   2HB   ASP   8          2HB       ASP   8  -5.636  -3.993   1.004
   51    H    ALA   9           H        ALA   9  -7.022  -0.442   1.607
   52    HA   ALA   9           HA       ALA   9  -7.844   0.672  -0.787
   53   1HB   ALA   9          1HB       ALA   9  -5.388   1.327   0.857
   54   2HB   ALA   9          2HB       ALA   9  -6.347   2.403  -0.206
   55   3HB   ALA   9          3HB       ALA   9  -7.052   1.790   1.292
   56    H    CYS  10           H        CYS  10  -4.991  -1.344  -0.181
   57    HA   CYS  10           HA       CYS  10  -3.329  -0.723  -2.272
   58   1HB   CYS  10          1HB       CYS  10  -2.424  -2.835  -1.892
   59   2HB   CYS  10          2HB       CYS  10  -3.261  -2.520  -0.408
   60    H    VAL  11           H        VAL  11  -6.567  -2.126  -2.625
   61    HA   VAL  11           HA       VAL  11  -6.196  -2.954  -5.400
   62    HB   VAL  11           HB       VAL  11  -8.701  -2.517  -3.715
   63   1HG1  VAL  11          1HG1      VAL  11  -8.359  -4.014  -6.356
   64   2HG1  VAL  11          2HG1      VAL  11  -9.823  -4.024  -5.342
   65   3HG1  VAL  11          3HG1      VAL  11  -9.294  -2.526  -6.102
   66   1HG2  VAL  11          1HG2      VAL  11  -7.286  -4.275  -2.738
   67   2HG2  VAL  11          2HG2      VAL  11  -8.685  -5.010  -3.513
   68   3HG2  VAL  11          3HG2      VAL  11  -7.105  -5.052  -4.327
   69    H    LEU  12           H        LEU  12  -6.913   0.054  -3.831
   70    HA   LEU  12           HA       LEU  12  -8.202   1.444  -6.049
   71   1HB   LEU  12          1HB       LEU  12  -9.171   2.043  -4.069
   72   2HB   LEU  12          2HB       LEU  12  -7.762   1.813  -3.106
   73    HG   LEU  12           HG       LEU  12  -7.121   4.123  -4.518
   74   1HD1  LEU  12          1HD1      LEU  12 -10.052   4.327  -3.664
   75   2HD1  LEU  12          2HD1      LEU  12  -9.065   5.581  -4.437
   76   3HD1  LEU  12          3HD1      LEU  12  -9.600   4.157  -5.362
   77   1HD2  LEU  12          1HD2      LEU  12  -6.754   3.678  -2.183
   78   2HD2  LEU  12          2HD2      LEU  12  -7.597   5.212  -2.429
   79   3HD2  LEU  12          3HD2      LEU  12  -8.490   3.787  -1.855
   80    HA   PRO  13           HA       PRO  13  -4.193   2.750  -7.429
   81   1HB   PRO  13          1HB       PRO  13  -4.697   5.290  -8.474
   82   2HB   PRO  13          2HB       PRO  13  -5.023   3.741  -9.283
   83   1HG   PRO  13          1HG       PRO  13  -6.920   5.595  -7.885
   84   2HG   PRO  13          2HG       PRO  13  -7.236   4.519  -9.278
   85   1HD   PRO  13          1HD       PRO  13  -7.903   4.056  -6.598
   86   2HD   PRO  13          2HD       PRO  13  -7.876   2.780  -7.815
   87    H    ALA  14           H        ALA  14  -2.664   4.736  -7.294
   88    HA   ALA  14           HA       ALA  14  -2.346   5.411  -4.450
   89   1HB   ALA  14          1HB       ALA  14  -0.319   6.502  -5.167
   90   2HB   ALA  14          2HB       ALA  14  -0.414   4.959  -6.036
   91   3HB   ALA  14          3HB       ALA  14  -0.810   6.473  -6.874
   92    H    VAL  15           H        VAL  15  -3.692   7.016  -3.612
   93    HA   VAL  15           HA       VAL  15  -4.639   9.157  -5.417
   94    HB   VAL  15           HB       VAL  15  -5.248   8.788  -2.507
   95   1HG1  VAL  15          1HG1      VAL  15  -7.218  10.224  -2.990
   96   2HG1  VAL  15          2HG1      VAL  15  -5.687  11.055  -3.215
   97   3HG1  VAL  15          3HG1      VAL  15  -6.604  10.478  -4.635
   98   1HG2  VAL  15          1HG2      VAL  15  -6.142   6.818  -3.672
   99   2HG2  VAL  15          2HG2      VAL  15  -7.497   7.911  -3.380
  100   3HG2  VAL  15          3HG2      VAL  15  -6.775   7.843  -4.985
  101    H    GLN  16           H        GLN  16  -3.710  10.927  -5.494
  102    HA   GLN  16           HA       GLN  16  -1.219  11.510  -4.014
  103   1HB   GLN  16          1HB       GLN  16  -2.545  13.164  -6.202
  104   2HB   GLN  16          2HB       GLN  16  -0.929  13.388  -5.521
  105   1HG   GLN  16          1HG       GLN  16  -0.440  10.959  -6.294
  106   2HG   GLN  16          2HG       GLN  16  -1.929  11.076  -7.233
  107   1HE2  GLN  16          1HE2      GLN  16   1.241  12.657  -6.699
  108   2HE2  GLN  16          2HE2      GLN  16   1.327  13.377  -8.320
  109    H    GLY  17           H        GLY  17  -4.520  12.787  -4.234
  110   1HA   GLY  17          1HA       GLY  17  -5.658  13.844  -2.475
  111   2HA   GLY  17          2HA       GLY  17  -4.113  14.390  -1.777
  112    HA   PRO  18           HA       PRO  18  -5.892  17.572  -4.776
  113   1HB   PRO  18          1HB       PRO  18  -7.077  19.430  -3.180
  114   2HB   PRO  18          2HB       PRO  18  -7.864  17.874  -3.575
  115   1HG   PRO  18          1HG       PRO  18  -6.295  18.583  -1.076
  116   2HG   PRO  18          2HG       PRO  18  -7.905  17.811  -1.183
  117   1HD   PRO  18          1HD       PRO  18  -5.579  16.375  -0.887
  118   2HD   PRO  18          2HD       PRO  18  -6.985  15.741  -1.789
  119    H    CYS  19           H        CYS  19  -3.550  17.734  -2.271
  120    HA   CYS  19           HA       CYS  19  -2.966  20.558  -2.513
  121   1HB   CYS  19          1HB       CYS  19  -1.669  18.310  -0.996
  122   2HB   CYS  19          2HB       CYS  19  -0.952  19.901  -1.031
  123    H    ARG  20           H        ARG  20  -0.441  20.962  -2.551
  124    HA   ARG  20           HA       ARG  20   0.587  20.065  -5.183
  125   1HB   ARG  20          1HB       ARG  20  -0.101  22.898  -4.380
  126   2HB   ARG  20          2HB       ARG  20   1.190  22.551  -5.514
  127   1HG   ARG  20          1HG       ARG  20  -0.257  22.312  -7.187
  128   2HG   ARG  20          2HG       ARG  20  -1.033  20.957  -6.401
  129   1HD   ARG  20          1HD       ARG  20  -1.745  23.874  -5.940
  130   2HD   ARG  20          2HD       ARG  20  -2.546  22.809  -7.093
  131    HE   ARG  20           HE       ARG  20  -3.234  21.355  -5.215
  132   1HH1  ARG  20          2HH2      ARG  20  -2.578  24.775  -4.490
  133   2HH1  ARG  20          1HH2      ARG  20  -3.762  24.878  -3.234
  134   1HH2  ARG  20          2HH1      ARG  20  -4.802  21.506  -3.644
  135   2HH2  ARG  20          1HH1      ARG  20  -5.068  22.926  -2.689
  136    H    GLY  21           H        GLY  21   1.249  19.912  -2.249
  137   1HA   GLY  21          1HA       GLY  21   4.125  20.751  -2.242
  138   2HA   GLY  21          2HA       GLY  21   3.192  20.212  -0.795
  139    H    TRP  22           H        TRP  22   5.579  18.577  -1.807
  140    HA   TRP  22           HA       TRP  22   4.101  16.252  -2.854
  141   1HB   TRP  22          1HB       TRP  22   6.712  17.354  -3.932
  142   2HB   TRP  22          2HB       TRP  22   5.943  15.877  -4.454
  143    HD1  TRP  22           HD       TRP  22   6.541  19.006  -5.775
  144    HE1  TRP  22           1HE      TRP  22   4.720  20.032  -7.247
  145    HE3  TRP  22           3HE      TRP  22   2.592  15.999  -4.457
  146    HZ2  TRP  22           2HZ      TRP  22   1.914  19.606  -7.808
  147    HZ3  TRP  22           3HZ      TRP  22   0.376  16.331  -5.489
  148    HH2  TRP  22           HH       TRP  22   0.019  18.119  -7.157
  149    H    GLU  23           H        GLU  23   4.322  14.787  -1.541
  150    HA   GLU  23           HA       GLU  23   6.630  14.394   0.297
  151   1HB   GLU  23          1HB       GLU  23   4.683  15.293   1.395
  152   2HB   GLU  23          2HB       GLU  23   3.603  14.182   0.565
  153   1HG   GLU  23          1HG       GLU  23   3.734  13.489   2.791
  154   2HG   GLU  23          2HG       GLU  23   4.538  12.287   1.798
  155    HA   PRO  24           HA       PRO  24   6.577  10.518  -2.249
  156   1HB   PRO  24          1HB       PRO  24   8.818   9.332  -1.235
  157   2HB   PRO  24          2HB       PRO  24   8.859  10.675  -2.419
  158   1HG   PRO  24          1HG       PRO  24   9.161  10.839   0.595
  159   2HG   PRO  24          2HG       PRO  24  10.186  11.601  -0.664
  160   1HD   PRO  24          1HD       PRO  24   8.212  12.961   0.596
  161   2HD   PRO  24          2HD       PRO  24   8.536  13.235  -1.139
  162    H    ARG  25           H        ARG  25   5.284   8.916  -1.861
  163    HA   ARG  25           HA       ARG  25   5.392   7.461   0.724
  164   1HB   ARG  25          1HB       ARG  25   2.883   8.540  -0.641
  165   2HB   ARG  25          2HB       ARG  25   2.813   7.244   0.553
  166   1HG   ARG  25          1HG       ARG  25   3.975  10.011   1.099
  167   2HG   ARG  25          2HG       ARG  25   2.354   9.469   1.523
  168   1HD   ARG  25          1HD       ARG  25   3.272   7.656   2.890
  169   2HD   ARG  25          2HD       ARG  25   4.920   8.176   2.557
  170    HE   ARG  25           HE       ARG  25   2.965   9.496   4.289
  171   1HH1  ARG  25          2HH2      ARG  25   6.116   9.869   2.566
  172   2HH1  ARG  25          1HH2      ARG  25   6.532  11.276   3.423
  173   1HH2  ARG  25          2HH1      ARG  25   3.699  11.357   5.552
  174   2HH2  ARG  25          1HH1      ARG  25   5.142  12.148   5.033
  175    H    TRP  26           H        TRP  26   3.837   5.381   0.387
  176    HA   TRP  26           HA       TRP  26   4.847   4.119  -2.140
  177   1HB   TRP  26          1HB       TRP  26   4.686   3.195   0.749
  178   2HB   TRP  26          2HB       TRP  26   4.718   2.040  -0.578
  179    HD1  TRP  26           HD       TRP  26   6.913   4.711   1.108
  180    HE1  TRP  26           1HE      TRP  26   9.353   4.351   0.424
  181    HE3  TRP  26           3HE      TRP  26   6.217   0.929  -2.209
  182    HZ2  TRP  26           2HZ      TRP  26  10.833   2.577  -1.394
  183    HZ3  TRP  26           3HZ      TRP  26   8.098   0.116  -3.629
  184    HH2  TRP  26           HH       TRP  26  10.396   0.772  -3.090
  185    H    ALA  27           H        ALA  27   3.308   2.861  -3.322
  186    HA   ALA  27           HA       ALA  27   0.686   2.411  -2.035
  187   1HB   ALA  27          1HB       ALA  27   0.150   4.339  -3.374
  188   2HB   ALA  27          2HB       ALA  27   1.000   3.640  -4.794
  189   3HB   ALA  27          3HB       ALA  27  -0.484   2.913  -4.175
  190    H    TYR  28           H        TYR  28  -0.337   0.586  -2.810
  191    HA   TYR  28           HA       TYR  28   1.437  -1.418  -4.083
  192   1HB   TYR  28          1HB       TYR  28  -0.153  -1.922  -2.136
  193   2HB   TYR  28          2HB       TYR  28  -1.458  -1.626  -3.262
  194    HD1  TYR  28           1HD      TYR  28  -2.328  -3.429  -4.603
  195    HD2  TYR  28           2HD      TYR  28   1.504  -3.881  -2.702
  196    HE1  TYR  28           1HE      TYR  28  -2.383  -5.827  -5.081
  197    HE2  TYR  28           2HE      TYR  28   1.535  -6.251  -3.285
  198    HH   TYR  28           HH       TYR  28   0.237  -8.026  -3.908
  199    H    SER  29           H        SER  29   0.998  -2.330  -6.073
  200    HA   SER  29           HA       SER  29  -1.148  -1.164  -7.761
  201   1HB   SER  29          1HB       SER  29   1.774  -1.736  -8.279
  202   2HB   SER  29          2HB       SER  29   0.700  -1.566  -9.626
  203    HG   SER  29           HG       SER  29   0.339   0.237  -7.568
  204    HA   PRO  30           HA       PRO  30  -1.907  -5.606  -7.300
  205   1HB   PRO  30          1HB       PRO  30  -4.419  -5.693  -8.464
  206   2HB   PRO  30          2HB       PRO  30  -4.101  -5.261  -6.756
  207   1HG   PRO  30          1HG       PRO  30  -4.644  -3.436  -9.088
  208   2HG   PRO  30          2HG       PRO  30  -5.184  -3.299  -7.382
  209   1HD   PRO  30          1HD       PRO  30  -3.076  -1.876  -8.439
  210   2HD   PRO  30          2HD       PRO  30  -3.172  -2.337  -6.719
  211    H    LEU  31           H        LEU  31  -2.362  -3.696 -10.270
  212    HA   LEU  31           HA       LEU  31  -2.091  -5.828 -12.124
  213   1HB   LEU  31          1HB       LEU  31  -1.680  -2.857 -12.281
  214   2HB   LEU  31          2HB       LEU  31  -1.311  -3.899 -13.652
  215    HG   LEU  31           HG       LEU  31  -4.010  -4.013 -12.250
  216   1HD1  LEU  31          1HD1      LEU  31  -4.855  -2.556 -14.023
  217   2HD1  LEU  31          2HD1      LEU  31  -3.617  -1.736 -13.054
  218   3HD1  LEU  31          3HD1      LEU  31  -3.204  -2.367 -14.671
  219   1HD2  LEU  31          1HD2      LEU  31  -4.777  -4.958 -14.418
  220   2HD2  LEU  31          2HD2      LEU  31  -3.115  -4.892 -15.042
  221   3HD2  LEU  31          3HD2      LEU  31  -3.530  -5.972 -13.698
  222    H    LEU  32           H        LEU  32   0.283  -4.384 -10.024
  223    HA   LEU  32           HA       LEU  32   2.496  -5.699 -11.534
  224   1HB   LEU  32          1HB       LEU  32   2.281  -3.378  -9.618
  225   2HB   LEU  32          2HB       LEU  32   3.814  -4.162  -9.825
  226    HG   LEU  32           HG       LEU  32   2.256  -3.013 -12.171
  227   1HD1  LEU  32          1HD1      LEU  32   2.825  -1.195 -10.622
  228   2HD1  LEU  32          2HD1      LEU  32   4.517  -1.748 -10.560
  229   3HD1  LEU  32          3HD1      LEU  32   3.832  -1.103 -12.068
  230   1HD2  LEU  32          1HD2      LEU  32   4.461  -3.094 -13.320
  231   2HD2  LEU  32          2HD2      LEU  32   5.178  -3.868 -11.888
  232   3HD2  LEU  32          3HD2      LEU  32   3.929  -4.701 -12.836
  233    H    GLN  33           H        GLN  33   0.325  -6.149  -9.101
  234    HA   GLN  33           HA       GLN  33   0.099  -7.114  -7.112
  235   1HB   GLN  33          1HB       GLN  33   0.397  -8.932  -8.859
  236   2HB   GLN  33          2HB       GLN  33   2.011  -9.203  -8.244
  237   1HG   GLN  33          1HG       GLN  33  -0.441  -9.323  -6.436
  238   2HG   GLN  33          2HG       GLN  33  -0.078 -10.641  -7.517
  239   1HE2  GLN  33          1HE2      GLN  33   2.963  -9.778  -6.563
  240   2HE2  GLN  33          2HE2      GLN  33   3.108 -10.902  -5.235
  241    H    GLN  34           H        GLN  34   1.939  -4.973  -7.031
  242    HA   GLN  34           HA       GLN  34   3.605  -5.669  -4.761
  243   1HB   GLN  34          1HB       GLN  34   4.854  -6.568  -6.857
  244   2HB   GLN  34          2HB       GLN  34   5.017  -4.874  -7.330
  245   1HG   GLN  34          1HG       GLN  34   7.011  -6.077  -6.261
  246   2HG   GLN  34          2HG       GLN  34   6.626  -4.435  -5.777
  247   1HE2  GLN  34          1HE2      GLN  34   6.419  -7.895  -4.630
  248   2HE2  GLN  34          2HE2      GLN  34   6.424  -7.388  -2.946
  249    H    CYS  35           H        CYS  35   5.064  -3.775  -4.268
  250    HA   CYS  35           HA       CYS  35   3.438  -1.308  -4.401
  251   1HB   CYS  35          1HB       CYS  35   5.721  -2.123  -2.596
  252   2HB   CYS  35          2HB       CYS  35   4.732  -0.677  -2.407
  253    H    HIS  36           H        HIS  36   4.238   0.626  -4.874
  254    HA   HIS  36           HA       HIS  36   7.098   0.928  -5.604
  255   1HB   HIS  36          1HB       HIS  36   6.648   2.030  -7.707
  256   2HB   HIS  36          2HB       HIS  36   5.973   0.410  -7.727
  257    HD1  HIS  36           1HD      HIS  36   4.740   4.086  -7.263
  258    HD2  HIS  36           2HD      HIS  36   3.329   0.231  -8.456
  259    HE1  HIS  36           1HE      HIS  36   2.351   4.374  -8.127
  260    HE2  HIS  36           2HE      HIS  36   1.554   1.975  -8.822
  261    HA   PRO  37           HA       PRO  37   6.572   4.816  -3.457
  262   1HB   PRO  37          1HB       PRO  37   8.391   6.089  -5.476
  263   2HB   PRO  37          2HB       PRO  37   8.538   6.053  -3.695
  264   1HG   PRO  37          1HG       PRO  37  10.121   4.509  -5.305
  265   2HG   PRO  37          2HG       PRO  37   9.504   3.908  -3.736
  266   1HD   PRO  37          1HD       PRO  37   8.454   3.322  -6.510
  267   2HD   PRO  37          2HD       PRO  37   8.687   2.225  -5.128
  268    H    PHE  38           H        PHE  38   5.693   7.159  -3.898
  269    HA   PHE  38           HA       PHE  38   5.049   7.870  -6.583
  270   1HB   PHE  38          1HB       PHE  38   2.728   7.805  -6.555
  271   2HB   PHE  38          2HB       PHE  38   3.164   6.226  -5.956
  272    HD1  PHE  38           1HD      PHE  38   1.302   9.258  -5.342
  273    HD2  PHE  38           2HD      PHE  38   3.007   5.816  -3.361
  274    HE1  PHE  38           1HE      PHE  38  -0.309   9.507  -3.514
  275    HE2  PHE  38           2HE      PHE  38   1.330   6.082  -1.542
  276    HZ   PHE  38           HZ       PHE  38  -0.337   7.897  -1.627
  277    H    VAL  39           H        VAL  39   3.771  10.060  -6.427
  278    HA   VAL  39           HA       VAL  39   4.910  11.602  -4.157
  279    HB   VAL  39           HB       VAL  39   4.050  12.308  -6.988
  280   1HG1  VAL  39          1HG1      VAL  39   3.147  14.098  -5.701
  281   2HG1  VAL  39          2HG1      VAL  39   4.565  14.159  -4.640
  282   3HG1  VAL  39          3HG1      VAL  39   4.679  14.689  -6.341
  283   1HG2  VAL  39          1HG2      VAL  39   6.355  13.175  -7.138
  284   2HG2  VAL  39          2HG2      VAL  39   6.659  12.715  -5.452
  285   3HG2  VAL  39          3HG2      VAL  39   6.371  11.464  -6.683
  286    H    TYR  40           H        TYR  40   3.549  11.896  -2.548
  287    HA   TYR  40           HA       TYR  40   0.617  12.026  -2.955
  288   1HB   TYR  40          1HB       TYR  40   1.086  10.292  -1.444
  289   2HB   TYR  40          2HB       TYR  40   2.474  11.092  -0.768
  290    HD1  TYR  40           1HD      TYR  40   2.349  11.958   1.320
  291    HD2  TYR  40           2HD      TYR  40  -1.286  11.586  -0.981
  292    HE1  TYR  40           1HE      TYR  40   1.050  12.683   3.284
  293    HE2  TYR  40           2HE      TYR  40  -2.586  12.420   0.952
  294    HH   TYR  40           HH       TYR  40  -2.384  13.478   3.028
  295    H    GLY  41           H        GLY  41  -0.367  13.860  -1.629
  296   1HA   GLY  41          1HA       GLY  41   1.361  16.198  -1.953
  297   2HA   GLY  41          2HA       GLY  41  -0.362  16.197  -1.980
  298    H    GLY  42           H        GLY  42   0.601  14.418   0.745
  299   1HA   GLY  42          1HA       GLY  42   1.022  14.880   2.936
  300   2HA   GLY  42          2HA       GLY  42   1.516  16.512   2.488
  301    H    CYS  43           H        CYS  43  -1.601  16.058   1.376
  302    HA   CYS  43           HA       CYS  43  -2.976  16.745   3.872
  303   1HB   CYS  43          1HB       CYS  43  -4.164  18.486   2.978
  304   2HB   CYS  43          2HB       CYS  43  -2.523  18.765   2.466
  305    H    GLU  44           H        GLU  44  -5.571  16.666   2.869
  306    HA   GLU  44           HA       GLU  44  -6.461  14.223   3.347
  307   1HB   GLU  44          1HB       GLU  44  -7.612  15.798   1.041
  308   2HB   GLU  44          2HB       GLU  44  -8.408  14.603   2.060
  309   1HG   GLU  44          1HG       GLU  44  -9.161  16.526   3.008
  310   2HG   GLU  44          2HG       GLU  44  -7.792  16.191   4.048
  311    H    GLY  45           H        GLY  45  -6.550  12.137   2.439
  312   1HA   GLY  45          1HA       GLY  45  -6.198  11.566  -0.344
  313   2HA   GLY  45          2HA       GLY  45  -4.757  11.220   0.622
  314    H    ASN  46           H        ASN  46  -5.953   9.055  -0.470
  315    HA   ASN  46           HA       ASN  46  -7.822   7.874   1.499
  316   1HB   ASN  46          1HB       ASN  46  -6.762   6.813  -1.135
  317   2HB   ASN  46          2HB       ASN  46  -7.869   5.985  -0.127
  318   1HD2  ASN  46          1HD2      ASN  46  -9.780   5.743  -1.068
  319   2HD2  ASN  46          2HD2      ASN  46 -10.661   7.112  -1.712
  320    H    GLY  47           H        GLY  47  -7.189   5.274   1.307
  321   1HA   GLY  47          1HA       GLY  47  -5.091   5.055   3.332
  322   2HA   GLY  47          2HA       GLY  47  -6.304   3.852   2.866
  323    H    ASN  48           H        ASN  48  -5.160   4.675  -0.103
  324    HA   ASN  48           HA       ASN  48  -3.075   2.554  -0.010
  325   1HB   ASN  48          1HB       ASN  48  -4.702   2.536  -1.902
  326   2HB   ASN  48          2HB       ASN  48  -3.953   3.955  -2.573
  327   1HD2  ASN  48          1HD2      ASN  48  -3.730   1.817  -4.231
  328   2HD2  ASN  48          2HD2      ASN  48  -2.219   0.967  -4.134
  329    H    ASN  49           H        ASN  49  -2.307   4.291   1.560
  330    HA   ASN  49           HA       ASN  49  -0.065   5.730   0.286
  331   1HB   ASN  49          1HB       ASN  49  -1.848   7.390   0.873
  332   2HB   ASN  49          2HB       ASN  49  -1.925   6.747   2.507
  333   1HD2  ASN  49          1HD2      ASN  49  -1.210   9.453   1.347
  334   2HD2  ASN  49          2HD2      ASN  49   0.289   9.882   2.102
  335    H    PHE  50           H        PHE  50   1.444   4.348   0.961
  336    HA   PHE  50           HA       PHE  50   1.321   3.206   3.682
  337   1HB   PHE  50          1HB       PHE  50   2.803   2.257   1.218
  338   2HB   PHE  50          2HB       PHE  50   3.022   1.571   2.770
  339    HD1  PHE  50           1HD      PHE  50   0.985   1.445  -0.175
  340    HD2  PHE  50           2HD      PHE  50   0.843   0.753   4.081
  341    HE1  PHE  50           1HE      PHE  50  -1.007  -0.021  -0.463
  342    HE2  PHE  50           2HE      PHE  50  -1.145  -0.636   3.784
  343    HZ   PHE  50           HZ       PHE  50  -2.087  -1.047   1.510
  344    H    HIS  51           H        HIS  51   3.234   3.105   4.781
  345    HA   HIS  51           HA       HIS  51   4.530   5.715   4.726
  346   1HB   HIS  51          1HB       HIS  51   4.777   3.558   6.805
  347   2HB   HIS  51          2HB       HIS  51   4.967   5.282   6.972
  348    HD1  HIS  51           1HD      HIS  51   2.236   6.527   6.078
  349    HD2  HIS  51           2HD      HIS  51   2.590   2.490   7.135
  350    HE1  HIS  51           1HE      HIS  51  -0.155   5.552   6.124
  351    HE2  HIS  51           2HE      HIS  51   0.008   3.171   6.873
  352    H    SER  52           H        SER  52   5.203   2.554   3.838
  353    HA   SER  52           HA       SER  52   7.995   3.052   3.138
  354   1HB   SER  52          1HB       SER  52   8.742   1.068   4.623
  355   2HB   SER  52          2HB       SER  52   8.402   2.584   5.448
  356    HG   SER  52           HG       SER  52   7.408   0.709   6.481
  357    H    ARG  53           H        ARG  53   8.944   1.032   2.297
  358    HA   ARG  53           HA       ARG  53   7.230  -0.344   0.377
  359   1HB   ARG  53          1HB       ARG  53   9.588   0.064  -0.069
  360   2HB   ARG  53          2HB       ARG  53  10.055  -0.869   1.351
  361   1HG   ARG  53          1HG       ARG  53  10.343  -2.115  -0.667
  362   2HG   ARG  53          2HG       ARG  53   9.180  -2.916   0.378
  363   1HD   ARG  53          1HD       ARG  53   7.379  -1.886  -1.152
  364   2HD   ARG  53          2HD       ARG  53   8.671  -1.404  -2.218
  365    HE   ARG  53           HE       ARG  53   8.329  -4.231  -1.313
  366   1HH1  ARG  53          2HH2      ARG  53   8.239  -2.289  -4.265
  367   2HH1  ARG  53          1HH2      ARG  53   9.142  -3.436  -5.179
  368   1HH2  ARG  53          2HH1      ARG  53   9.098  -5.743  -2.450
  369   2HH2  ARG  53          1HH1      ARG  53   9.561  -5.648  -4.132
  370    H    GLU  54           H        GLU  54   8.711  -1.088   3.472
  371    HA   GLU  54           HA       GLU  54   7.988  -3.701   4.034
  372   1HB   GLU  54          1HB       GLU  54   9.542  -2.606   5.323
  373   2HB   GLU  54          2HB       GLU  54   8.693  -1.132   5.434
  374   1HG   GLU  54          1HG       GLU  54   7.573  -3.500   6.943
  375   2HG   GLU  54          2HG       GLU  54   9.079  -2.773   7.516
  376    H    SER  55           H        SER  55   6.345  -0.926   5.433
  377    HA   SER  55           HA       SER  55   4.136  -2.304   6.286
  378   1HB   SER  55          1HB       SER  55   2.822  -0.150   6.292
  379   2HB   SER  55          2HB       SER  55   4.372  -0.132   7.131
  380    HG   SER  55           HG       SER  55   5.289   0.980   5.505
  381    H    CYS  56           H        CYS  56   4.502  -0.969   3.057
  382    HA   CYS  56           HA       CYS  56   1.846  -1.591   2.159
  383   1HB   CYS  56          1HB       CYS  56   3.691  -0.033   1.089
  384   2HB   CYS  56          2HB       CYS  56   4.506  -1.464   0.598
  385    H    GLU  57           H        GLU  57   4.914  -3.318   1.735
  386    HA   GLU  57           HA       GLU  57   3.638  -5.538   0.400
  387   1HB   GLU  57          1HB       GLU  57   6.328  -5.300   1.812
  388   2HB   GLU  57          2HB       GLU  57   5.698  -6.857   1.253
  389   1HG   GLU  57          1HG       GLU  57   5.253  -5.631  -1.012
  390   2HG   GLU  57          2HG       GLU  57   6.414  -4.444  -0.415
  391    H    ASP  58           H        ASP  58   4.023  -4.750   3.876
  392    HA   ASP  58           HA       ASP  58   3.061  -7.395   4.571
  393   1HB   ASP  58          1HB       ASP  58   4.476  -5.920   6.089
  394   2HB   ASP  58          2HB       ASP  58   2.968  -5.052   6.458
  395    H    ALA  59           H        ALA  59   1.441  -4.254   3.784
  396    HA   ALA  59           HA       ALA  59  -1.115  -5.138   4.776
  397   1HB   ALA  59          1HB       ALA  59  -0.577  -2.782   4.464
  398   2HB   ALA  59          2HB       ALA  59  -0.366  -3.028   2.716
  399   3HB   ALA  59          3HB       ALA  59  -1.966  -3.241   3.459
  400    H    CYS  60           H        CYS  60   0.199  -4.849   1.414
  401    HA   CYS  60           HA       CYS  60  -1.569  -7.095   0.611
  402   1HB   CYS  60          1HB       CYS  60  -1.140  -4.523  -0.809
  403   2HB   CYS  60          2HB       CYS  60  -1.561  -6.016  -1.662
  404    HA   PRO  61           HA       PRO  61   2.702  -8.368  -0.075
  405   1HB   PRO  61          1HB       PRO  61   2.524 -10.851   1.038
  406   2HB   PRO  61          2HB       PRO  61   2.163  -9.447   2.041
  407   1HG   PRO  61          1HG       PRO  61   0.118 -11.104   0.533
  408   2HG   PRO  61          2HG       PRO  61   0.195 -10.765   2.294
  409   1HD   PRO  61          1HD       PRO  61  -1.241  -9.207   0.595
  410   2HD   PRO  61          2HD       PRO  61  -0.353  -8.525   1.999
  411    H    VAL  62           H        VAL  62   3.265 -10.725  -0.564
  412    HA   VAL  62           HA       VAL  62   2.627 -11.963  -3.184
  413    HB   VAL  62           HB       VAL  62   5.204 -12.076  -1.581
  414   1HG1  VAL  62          1HG1      VAL  62   6.191 -12.689  -3.762
  415   2HG1  VAL  62          2HG1      VAL  62   4.834 -13.755  -3.416
  416   3HG1  VAL  62          3HG1      VAL  62   4.635 -12.428  -4.569
  417   1HG2  VAL  62          1HG2      VAL  62   6.229 -10.383  -3.135
  418   2HG2  VAL  62          2HG2      VAL  62   4.595  -9.974  -3.713
  419   3HG2  VAL  62          3HG2      VAL  62   5.063  -9.684  -2.026
  420    H    VAL  63           H        VAL  63   3.937 -14.219  -1.988
  421    HA   VAL  63           HA       VAL  63   1.798 -15.440  -0.513
  422    HB   VAL  63           HB       VAL  63   4.559 -16.056   0.455
  423   1HG1  VAL  63          1HG1      VAL  63   2.171 -17.827  -0.155
  424   2HG1  VAL  63          2HG1      VAL  63   3.705 -18.349   0.571
  425   3HG1  VAL  63          3HG1      VAL  63   2.663 -17.227   1.449
  426   1HG2  VAL  63          1HG2      VAL  63   4.969 -16.012  -1.969
  427   2HG2  VAL  63          2HG2      VAL  63   4.898 -17.686  -1.434
  428   3HG2  VAL  63          3HG2      VAL  63   3.497 -16.975  -2.263
  429    H    ASP  64           H        ASP  64   1.134 -15.174   1.630
  430    HA   ASP  64           HA       ASP  64   1.830 -12.566   2.722
  431   1HB   ASP  64          1HB       ASP  64  -0.506 -13.204   2.806
  432   2HB   ASP  64          2HB       ASP  64  -0.124 -14.580   3.863
  433    H    HIS  65           H        HIS  65   2.907 -11.991   4.435
  434    HA   HIS  65           HA       HIS  65   4.981 -13.631   5.452
  435   1HB   HIS  65          1HB       HIS  65   4.060 -11.019   6.701
  436   2HB   HIS  65          2HB       HIS  65   5.686 -11.656   6.592
  437    HD1  HIS  65           1HD      HIS  65   6.962 -11.169   4.171
  438    HD2  HIS  65           2HD      HIS  65   3.078  -9.606   4.724
  439    HE1  HIS  65           1HE      HIS  65   6.589  -9.395   2.313
  440    HE2  HIS  65           2HE      HIS  65   4.198  -8.460   2.695
  441    H    HIS  66           H        HIS  66   1.781 -13.812   6.386
  442    HA   HIS  66           HA       HIS  66   2.471 -14.802   9.047
  443   1HB   HIS  66          1HB       HIS  66   0.116 -13.317   9.611
  444   2HB   HIS  66          2HB       HIS  66   1.709 -13.179  10.283
  445    HD1  HIS  66           1HD      HIS  66   0.491 -11.753   6.767
  446    HD2  HIS  66           2HD      HIS  66   2.299 -10.670  10.476
  447    HE1  HIS  66           1HE      HIS  66   1.155  -9.305   6.629
  448    HE2  HIS  66           2HE      HIS  66   2.168  -8.615   8.732
  449    H    HIS  67           H        HIS  67  -0.602 -14.006   7.507
  450    HA   HIS  67           HA       HIS  67  -1.422 -16.044   6.220
  451   1HB   HIS  67          1HB       HIS  67  -2.769 -17.625   7.520
  452   2HB   HIS  67          2HB       HIS  67  -1.067 -17.791   7.795
  453    HD1  HIS  67           1HD      HIS  67  -4.164 -16.332   9.524
  454    HD2  HIS  67           2HD      HIS  67  -0.264 -17.743  10.296
  455    HE1  HIS  67           1HE      HIS  67  -3.955 -16.546  12.125
  456    HE2  HIS  67           2HE      HIS  67  -1.554 -17.401  12.566
  457    H    HIS  68           H        HIS  68  -1.990 -13.327   6.318
  458    HA   HIS  68           HA       HIS  68  -4.840 -13.151   7.163
  459   1HB   HIS  68          1HB       HIS  68  -4.754 -10.803   6.823
  460   2HB   HIS  68          2HB       HIS  68  -3.449 -11.279   7.879
  461    HD1  HIS  68           1HD      HIS  68  -3.577 -10.708   3.955
  462    HD2  HIS  68           2HD      HIS  68  -1.675  -9.405   7.513
  463    HE1  HIS  68           1HE      HIS  68  -1.948  -8.907   3.309
  464    HE2  HIS  68           2HE      HIS  68  -0.755  -8.122   5.384
  465    H    HIS  69           H        HIS  69  -6.383 -12.316   5.497
  466    HA   HIS  69           HA       HIS  69  -6.337 -13.814   3.077
  467   1HB   HIS  69          1HB       HIS  69  -8.460 -13.050   3.866
  468   2HB   HIS  69          2HB       HIS  69  -7.897 -11.391   4.057
  469    HD1  HIS  69           1HD      HIS  69  -8.815  -9.789   2.220
  470    HD2  HIS  69           2HD      HIS  69  -8.224 -13.787   0.912
  471    HE1  HIS  69           1HE      HIS  69  -9.167  -9.829  -0.326
  472    HE2  HIS  69           2HE      HIS  69  -8.650 -12.233  -1.066
  473    H    HIS  70           H        HIS  70  -5.960 -13.118   0.825
  474    HA   HIS  70           HA       HIS  70  -4.590 -10.626   0.340
  475   1HB   HIS  70          1HB       HIS  70  -2.737 -12.317   0.519
  476   2HB   HIS  70          2HB       HIS  70  -3.623 -13.380  -0.590
  477    HD1  HIS  70           1HD      HIS  70  -4.333 -10.492  -2.367
  478    HD2  HIS  70           2HD      HIS  70  -0.733 -12.517  -1.451
  479    HE1  HIS  70           1HE      HIS  70  -2.533  -9.703  -4.103
  480    HE2  HIS  70           2HE      HIS  70  -0.372 -10.974  -3.528
  Start of MODEL    9
    1   1H    GLU   1          1H        GLU   1  -2.037 -11.689   0.905
    2   2H    GLU   1          2H        GLU   1  -1.070 -12.284  -0.312
    3   3H    GLU   1          H         GLU   1  -2.697 -12.581  -0.292
    4    HA   GLU   1           HA       GLU   1  -1.469  -9.918  -0.546
    5   1HB   GLU   1          1HB       GLU   1  -2.802 -11.657  -2.675
    6   2HB   GLU   1          2HB       GLU   1  -2.355  -9.972  -2.877
    7   1HG   GLU   1          1HG       GLU   1  -0.675 -11.001  -3.978
    8   2HG   GLU   1          2HG       GLU   1   0.073 -10.687  -2.430
    9    H    ALA   2           H        ALA   2  -3.497  -8.526  -1.785
   10    HA   ALA   2           HA       ALA   2  -6.064  -8.999  -0.453
   11   1HB   ALA   2          1HB       ALA   2  -6.909  -7.462  -2.213
   12   2HB   ALA   2          2HB       ALA   2  -5.601  -6.744  -1.262
   13   3HB   ALA   2          3HB       ALA   2  -5.273  -7.360  -2.905
   14    H    GLU   3           H        GLU   3  -7.461 -10.600  -1.159
   15    HA   GLU   3           HA       GLU   3  -6.860 -11.895  -3.784
   16   1HB   GLU   3          1HB       GLU   3  -7.161 -13.246  -1.072
   17   2HB   GLU   3          2HB       GLU   3  -7.106 -14.108  -2.620
   18   1HG   GLU   3          1HG       GLU   3  -4.894 -13.046  -3.100
   19   2HG   GLU   3          2HG       GLU   3  -4.930 -12.281  -1.535
   20    H    ALA   4           H        ALA   4  -9.513 -10.940  -1.678
   21    HA   ALA   4           HA       ALA   4 -11.357 -12.619  -3.304
   22   1HB   ALA   4          1HB       ALA   4 -12.764 -12.827  -1.314
   23   2HB   ALA   4          2HB       ALA   4 -11.138 -13.422  -0.961
   24   3HB   ALA   4          3HB       ALA   4 -11.639 -11.817  -0.379
   25    H    GLU   5           H        GLU   5 -13.760 -11.595  -2.747
   26    HA   GLU   5           HA       GLU   5 -13.982  -9.145  -4.115
   27   1HB   GLU   5          1HB       GLU   5 -15.915 -10.493  -2.157
   28   2HB   GLU   5          2HB       GLU   5 -16.295  -9.144  -3.214
   29   1HG   GLU   5          1HG       GLU   5 -17.172 -10.883  -4.403
   30   2HG   GLU   5          2HG       GLU   5 -15.612 -10.662  -5.187
   31    H    PHE   6           H        PHE   6 -13.268  -9.797  -0.766
   32    HA   PHE   6           HA       PHE   6 -14.015  -7.220   0.321
   33   1HB   PHE   6          1HB       PHE   6 -13.657  -9.214   1.763
   34   2HB   PHE   6          2HB       PHE   6 -11.949  -9.218   1.335
   35    HD1  PHE   6           1HD      PHE   6 -14.619  -7.451   3.210
   36    HD2  PHE   6           2HD      PHE   6 -10.413  -7.464   2.223
   37    HE1  PHE   6           1HE      PHE   6 -14.191  -5.752   4.965
   38    HE2  PHE   6           2HE      PHE   6 -10.002  -5.762   3.968
   39    HZ   PHE   6           HZ       PHE   6 -11.884  -4.898   5.338
   40    H    THR   7           H        THR   7 -13.306  -5.658  -1.019
   41    HA   THR   7           HA       THR   7 -10.646  -5.666  -2.158
   42    HB   THR   7           HB       THR   7 -12.881  -3.591  -2.205
   43    HG1  THR   7           1HG      THR   7 -13.271  -5.751  -3.150
   44   1HG2  THR   7          1HG2      THR   7 -10.419  -3.940  -3.965
   45   2HG2  THR   7          2HG2      THR   7 -11.687  -2.715  -4.194
   46   3HG2  THR   7          3HG2      THR   7 -10.631  -2.643  -2.775
   47    H    ASP   8           H        ASP   8  -9.204  -5.575  -0.430
   48    HA   ASP   8           HA       ASP   8  -9.346  -3.571   1.644
   49   1HB   ASP   8          1HB       ASP   8  -7.914  -5.493   1.995
   50   2HB   ASP   8          2HB       ASP   8  -7.008  -5.160   0.501
   51    H    ALA   9           H        ALA   9  -7.826  -1.733   1.772
   52    HA   ALA   9           HA       ALA   9  -8.187   0.123  -0.363
   53   1HB   ALA   9          1HB       ALA   9  -6.089   0.155   1.853
   54   2HB   ALA   9          2HB       ALA   9  -6.578   1.528   0.841
   55   3HB   ALA   9          3HB       ALA   9  -7.740   0.815   1.981
   56    H    CYS  10           H        CYS  10  -5.601  -2.288   0.207
   57    HA   CYS  10           HA       CYS  10  -3.632  -0.943  -1.352
   58   1HB   CYS  10          1HB       CYS  10  -2.284  -2.720  -0.874
   59   2HB   CYS  10          2HB       CYS  10  -3.464  -2.874   0.379
   60    H    VAL  11           H        VAL  11  -6.462  -2.714  -2.346
   61    HA   VAL  11           HA       VAL  11  -5.536  -3.313  -5.045
   62    HB   VAL  11           HB       VAL  11  -8.348  -3.100  -3.909
   63   1HG1  VAL  11          1HG1      VAL  11  -8.293  -3.180  -6.403
   64   2HG1  VAL  11          2HG1      VAL  11  -7.369  -4.699  -6.318
   65   3HG1  VAL  11          3HG1      VAL  11  -9.028  -4.624  -5.710
   66   1HG2  VAL  11          1HG2      VAL  11  -6.529  -5.541  -4.063
   67   2HG2  VAL  11          2HG2      VAL  11  -7.131  -4.763  -2.582
   68   3HG2  VAL  11          3HG2      VAL  11  -8.259  -5.585  -3.649
   69    H    LEU  12           H        LEU  12  -6.999  -0.610  -3.357
   70    HA   LEU  12           HA       LEU  12  -8.183   0.684  -5.611
   71   1HB   LEU  12          1HB       LEU  12  -9.383   1.084  -3.948
   72   2HB   LEU  12          2HB       LEU  12  -8.135   1.036  -2.692
   73    HG   LEU  12           HG       LEU  12  -7.649   3.443  -3.333
   74   1HD1  LEU  12          1HD1      LEU  12  -9.866   4.523  -4.385
   75   2HD1  LEU  12          2HD1      LEU  12  -8.605   3.938  -5.445
   76   3HD1  LEU  12          3HD1      LEU  12 -10.060   2.944  -5.148
   77   1HD2  LEU  12          1HD2      LEU  12  -8.951   2.796  -1.382
   78   2HD2  LEU  12          2HD2      LEU  12  -9.676   4.241  -2.107
   79   3HD2  LEU  12          3HD2      LEU  12 -10.427   2.656  -2.356
   80    HA   PRO  13           HA       PRO  13  -4.556   2.896  -6.995
   81   1HB   PRO  13          1HB       PRO  13  -6.631   4.916  -7.804
   82   2HB   PRO  13          2HB       PRO  13  -5.284   4.257  -8.773
   83   1HG   PRO  13          1HG       PRO  13  -7.856   3.378  -9.143
   84   2HG   PRO  13          2HG       PRO  13  -6.460   2.260  -9.242
   85   1HD   PRO  13          1HD       PRO  13  -8.448   2.546  -6.991
   86   2HD   PRO  13          2HD       PRO  13  -7.587   1.119  -7.556
   87    H    ALA  14           H        ALA  14  -3.492   4.931  -6.496
   88    HA   ALA  14           HA       ALA  14  -4.226   5.935  -3.812
   89   1HB   ALA  14          1HB       ALA  14  -1.993   6.889  -3.796
   90   2HB   ALA  14          2HB       ALA  14  -1.901   5.187  -4.251
   91   3HB   ALA  14          3HB       ALA  14  -1.736   6.452  -5.501
   92    H    VAL  15           H        VAL  15  -3.878   8.356  -3.486
   93    HA   VAL  15           HA       VAL  15  -4.518  10.061  -5.781
   94    HB   VAL  15           HB       VAL  15  -6.103   9.873  -3.210
   95   1HG1  VAL  15          1HG1      VAL  15  -6.164  12.184  -5.184
   96   2HG1  VAL  15          2HG1      VAL  15  -7.369  11.892  -3.911
   97   3HG1  VAL  15          3HG1      VAL  15  -5.714  12.241  -3.453
   98   1HG2  VAL  15          1HG2      VAL  15  -6.908   8.470  -5.101
   99   2HG2  VAL  15          2HG2      VAL  15  -8.063   9.741  -4.691
  100   3HG2  VAL  15          3HG2      VAL  15  -7.016   9.918  -6.120
  101    H    GLN  16           H        GLN  16  -3.675  12.085  -5.440
  102    HA   GLN  16           HA       GLN  16  -1.370  12.114  -3.565
  103   1HB   GLN  16          1HB       GLN  16  -1.780  14.028  -5.881
  104   2HB   GLN  16          2HB       GLN  16  -0.293  13.596  -5.033
  105   1HG   GLN  16          1HG       GLN  16  -0.761  11.177  -5.980
  106   2HG   GLN  16          2HG       GLN  16  -1.855  11.991  -7.090
  107   1HE2  GLN  16          1HE2      GLN  16   0.104  14.456  -7.155
  108   2HE2  GLN  16          2HE2      GLN  16   1.350  13.854  -8.234
  109    H    GLY  17           H        GLY  17  -4.360  13.764  -4.191
  110   1HA   GLY  17          1HA       GLY  17  -5.508  15.249  -2.923
  111   2HA   GLY  17          2HA       GLY  17  -4.096  15.543  -1.903
  112    HA   PRO  18           HA       PRO  18  -4.797  18.919  -5.163
  113   1HB   PRO  18          1HB       PRO  18  -5.883  20.955  -3.693
  114   2HB   PRO  18          2HB       PRO  18  -6.840  19.582  -4.321
  115   1HG   PRO  18          1HG       PRO  18  -5.635  19.883  -1.547
  116   2HG   PRO  18          2HG       PRO  18  -7.327  19.483  -1.989
  117   1HD   PRO  18          1HD       PRO  18  -5.507  17.547  -1.385
  118   2HD   PRO  18          2HD       PRO  18  -6.720  17.281  -2.647
  119    H    CYS  19           H        CYS  19  -2.742  18.560  -2.551
  120    HA   CYS  19           HA       CYS  19  -1.709  21.143  -2.038
  121   1HB   CYS  19          1HB       CYS  19  -0.409  18.409  -1.837
  122   2HB   CYS  19          2HB       CYS  19   0.241  19.853  -1.100
  123    H    ARG  20           H        ARG  20   0.788  21.441  -2.290
  124    HA   ARG  20           HA       ARG  20   1.780  20.771  -4.974
  125   1HB   ARG  20          1HB       ARG  20   1.441  23.577  -3.930
  126   2HB   ARG  20          2HB       ARG  20   2.750  23.157  -5.016
  127   1HG   ARG  20          1HG       ARG  20   1.406  23.347  -6.772
  128   2HG   ARG  20          2HG       ARG  20   0.446  21.994  -6.236
  129   1HD   ARG  20          1HD       ARG  20   0.005  24.893  -5.457
  130   2HD   ARG  20          2HD       ARG  20  -0.835  24.046  -6.760
  131    HE   ARG  20           HE       ARG  20  -1.692  22.451  -5.015
  132   1HH1  ARG  20          2HH2      ARG  20  -1.018  25.842  -4.180
  133   2HH1  ARG  20          1HH2      ARG  20  -2.279  25.958  -3.005
  134   1HH2  ARG  20          2HH1      ARG  20  -3.380  22.625  -3.569
  135   2HH2  ARG  20          1HH1      ARG  20  -3.676  24.035  -2.601
  136    H    GLY  21           H        GLY  21   2.250  20.241  -2.039
  137   1HA   GLY  21          1HA       GLY  21   5.225  20.563  -1.926
  138   2HA   GLY  21          2HA       GLY  21   4.186  20.263  -0.488
  139    H    TRP  22           H        TRP  22   6.269  18.314  -1.599
  140    HA   TRP  22           HA       TRP  22   4.423  16.164  -2.447
  141   1HB   TRP  22          1HB       TRP  22   7.126  16.761  -3.633
  142   2HB   TRP  22          2HB       TRP  22   6.051  15.468  -4.090
  143    HD1  TRP  22           HD       TRP  22   7.158  18.538  -5.380
  144    HE1  TRP  22           1HE      TRP  22   5.489  19.846  -6.799
  145    HE3  TRP  22           3HE      TRP  22   2.834  16.140  -4.008
  146    HZ2  TRP  22           2HZ      TRP  22   2.635  19.846  -7.318
  147    HZ3  TRP  22           3HZ      TRP  22   0.668  16.831  -4.962
  148    HH2  TRP  22           HH       TRP  22   0.553  18.665  -6.629
  149    H    GLU  23           H        GLU  23   4.336  14.892  -0.910
  150    HA   GLU  23           HA       GLU  23   6.575  14.028   0.822
  151   1HB   GLU  23          1HB       GLU  23   4.617  14.770   2.012
  152   2HB   GLU  23          2HB       GLU  23   3.529  13.913   0.932
  153   1HG   GLU  23          1HG       GLU  23   3.479  12.731   2.898
  154   2HG   GLU  23          2HG       GLU  23   4.395  11.747   1.774
  155    HA   PRO  24           HA       PRO  24   6.383  10.442  -2.184
  156   1HB   PRO  24          1HB       PRO  24   8.588   9.127  -1.315
  157   2HB   PRO  24          2HB       PRO  24   8.697  10.606  -2.317
  158   1HG   PRO  24          1HG       PRO  24   8.997  10.364   0.690
  159   2HG   PRO  24          2HG       PRO  24  10.028  11.270  -0.460
  160   1HD   PRO  24          1HD       PRO  24   8.029  12.430   1.024
  161   2HD   PRO  24          2HD       PRO  24   8.474  13.027  -0.603
  162    H    ARG  25           H        ARG  25   4.936   8.942  -1.824
  163    HA   ARG  25           HA       ARG  25   5.020   7.402   0.730
  164   1HB   ARG  25          1HB       ARG  25   2.550   8.445  -0.723
  165   2HB   ARG  25          2HB       ARG  25   2.481   7.200   0.531
  166   1HG   ARG  25          1HG       ARG  25   3.564  10.007   0.911
  167   2HG   ARG  25          2HG       ARG  25   1.957   9.455   1.377
  168   1HD   ARG  25          1HD       ARG  25   2.933   7.810   2.924
  169   2HD   ARG  25          2HD       ARG  25   4.562   8.335   2.495
  170    HE   ARG  25           HE       ARG  25   4.408  10.227   3.744
  171   1HH1  ARG  25          2HH2      ARG  25   1.140   8.826   3.631
  172   2HH1  ARG  25          1HH2      ARG  25   0.483   9.952   4.770
  173   1HH2  ARG  25          2HH1      ARG  25   3.666  11.579   5.159
  174   2HH2  ARG  25          1HH1      ARG  25   2.029  11.617   5.785
  175    H    TRP  26           H        TRP  26   3.536   5.357   0.312
  176    HA   TRP  26           HA       TRP  26   4.452   4.146  -2.259
  177   1HB   TRP  26          1HB       TRP  26   4.677   3.203   0.614
  178   2HB   TRP  26          2HB       TRP  26   4.670   2.063  -0.729
  179    HD1  TRP  26           HD       TRP  26   6.753   5.018   0.651
  180    HE1  TRP  26           1HE      TRP  26   9.112   4.898  -0.305
  181    HE3  TRP  26           3HE      TRP  26   6.116   1.007  -2.396
  182    HZ2  TRP  26           2HZ      TRP  26  10.550   3.260  -2.280
  183    HZ3  TRP  26           3HZ      TRP  26   7.883   0.406  -4.074
  184    HH2  TRP  26           HH       TRP  26  10.118   1.365  -3.880
  185    H    ALA  27           H        ALA  27   2.973   2.694  -3.245
  186    HA   ALA  27           HA       ALA  27   0.457   2.154  -1.810
  187   1HB   ALA  27          1HB       ALA  27   0.572   3.435  -4.579
  188   2HB   ALA  27          2HB       ALA  27  -0.871   2.725  -3.840
  189   3HB   ALA  27          3HB       ALA  27  -0.126   4.137  -3.089
  190    H    TYR  28           H        TYR  28  -0.418   0.212  -2.369
  191    HA   TYR  28           HA       TYR  28   1.282  -1.656  -3.854
  192   1HB   TYR  28          1HB       TYR  28  -0.011  -2.272  -1.755
  193   2HB   TYR  28          2HB       TYR  28  -1.474  -2.041  -2.679
  194    HD1  TYR  28           1HD      TYR  28  -2.208  -3.682  -4.371
  195    HD2  TYR  28           2HD      TYR  28   1.385  -4.324  -2.078
  196    HE1  TYR  28           1HE      TYR  28  -2.169  -6.032  -5.087
  197    HE2  TYR  28           2HE      TYR  28   1.498  -6.631  -2.880
  198    HH   TYR  28           HH       TYR  28   0.588  -8.185  -4.277
  199    H    SER  29           H        SER  29   0.836  -2.499  -5.880
  200    HA   SER  29           HA       SER  29  -1.588  -1.508  -7.265
  201   1HB   SER  29          1HB       SER  29   1.278  -1.576  -8.136
  202   2HB   SER  29          2HB       SER  29   0.017  -1.559  -9.342
  203    HG   SER  29           HG       SER  29  -0.424   0.088  -7.175
  204    HA   PRO  30           HA       PRO  30  -1.921  -6.008  -7.226
  205   1HB   PRO  30          1HB       PRO  30  -4.471  -6.222  -8.248
  206   2HB   PRO  30          2HB       PRO  30  -4.132  -5.811  -6.536
  207   1HG   PRO  30          1HG       PRO  30  -4.766  -3.928  -8.826
  208   2HG   PRO  30          2HG       PRO  30  -5.441  -3.935  -7.172
  209   1HD   PRO  30          1HD       PRO  30  -3.435  -2.268  -7.890
  210   2HD   PRO  30          2HD       PRO  30  -3.491  -2.989  -6.256
  211    H    LEU  31           H        LEU  31  -2.742  -3.857  -9.950
  212    HA   LEU  31           HA       LEU  31  -2.408  -5.745 -12.047
  213   1HB   LEU  31          1HB       LEU  31  -2.281  -2.749 -11.873
  214   2HB   LEU  31          2HB       LEU  31  -1.872  -3.578 -13.373
  215    HG   LEU  31           HG       LEU  31  -4.487  -4.127 -11.916
  216   1HD1  LEU  31          1HD1      LEU  31  -3.923  -2.134 -14.136
  217   2HD1  LEU  31          2HD1      LEU  31  -5.530  -2.566 -13.493
  218   3HD1  LEU  31          3HD1      LEU  31  -4.354  -1.747 -12.449
  219   1HD2  LEU  31          1HD2      LEU  31  -3.609  -4.581 -14.812
  220   2HD2  LEU  31          2HD2      LEU  31  -3.877  -5.847 -13.599
  221   3HD2  LEU  31          3HD2      LEU  31  -5.236  -4.882 -14.169
  222    H    LEU  32           H        LEU  32  -0.047  -4.247  -9.971
  223    HA   LEU  32           HA       LEU  32   2.197  -5.094 -11.741
  224   1HB   LEU  32          1HB       LEU  32   1.831  -3.126  -9.499
  225   2HB   LEU  32          2HB       LEU  32   3.431  -3.687  -9.863
  226    HG   LEU  32           HG       LEU  32   1.662  -2.387 -11.972
  227   1HD1  LEU  32          1HD1      LEU  32   3.851  -1.153 -10.243
  228   2HD1  LEU  32          2HD1      LEU  32   3.112  -0.378 -11.664
  229   3HD1  LEU  32          3HD1      LEU  32   2.118  -0.729 -10.253
  230   1HD2  LEU  32          1HD2      LEU  32   4.658  -2.997 -11.912
  231   2HD2  LEU  32          2HD2      LEU  32   3.445  -3.793 -12.934
  232   3HD2  LEU  32          3HD2      LEU  32   3.817  -2.093 -13.191
  233    H    GLN  33           H        GLN  33   0.224  -6.159  -9.252
  234    HA   GLN  33           HA       GLN  33   0.215  -7.522  -7.623
  235   1HB   GLN  33          1HB       GLN  33   0.936  -8.937  -9.553
  236   2HB   GLN  33          2HB       GLN  33   2.607  -8.782  -9.041
  237   1HG   GLN  33          1HG       GLN  33   0.884  -9.620  -6.854
  238   2HG   GLN  33          2HG       GLN  33   0.646 -10.685  -8.235
  239   1HE2  GLN  33          1HE2      GLN  33   3.517  -9.131  -6.720
  240   2HE2  GLN  33          2HE2      GLN  33   4.595 -10.501  -6.877
  241    H    GLN  34           H        GLN  34   1.948  -4.989  -7.317
  242    HA   GLN  34           HA       GLN  34   3.206  -5.694  -4.824
  243   1HB   GLN  34          1HB       GLN  34   4.803  -6.629  -6.705
  244   2HB   GLN  34          2HB       GLN  34   5.188  -4.936  -7.013
  245   1HG   GLN  34          1HG       GLN  34   6.100  -4.698  -4.759
  246   2HG   GLN  34          2HG       GLN  34   5.448  -6.278  -4.304
  247   1HE2  GLN  34          1HE2      GLN  34   7.187  -7.579  -4.041
  248   2HE2  GLN  34          2HE2      GLN  34   8.453  -7.883  -5.227
  249    H    CYS  35           H        CYS  35   4.615  -3.774  -4.050
  250    HA   CYS  35           HA       CYS  35   3.080  -1.339  -4.535
  251   1HB   CYS  35          1HB       CYS  35   5.274  -1.998  -2.539
  252   2HB   CYS  35          2HB       CYS  35   4.378  -0.481  -2.602
  253    H    HIS  36           H        HIS  36   3.798   0.605  -4.963
  254    HA   HIS  36           HA       HIS  36   6.607   0.981  -5.897
  255   1HB   HIS  36          1HB       HIS  36   5.894   2.207  -7.880
  256   2HB   HIS  36          2HB       HIS  36   5.259   0.573  -7.917
  257    HD1  HIS  36           1HD      HIS  36   4.012   4.187  -7.133
  258    HD2  HIS  36           2HD      HIS  36   2.583   0.314  -8.172
  259    HE1  HIS  36           1HE      HIS  36   1.481   4.388  -7.509
  260    HE2  HIS  36           2HE      HIS  36   0.672   1.975  -8.163
  261    HA   PRO  37           HA       PRO  37   6.071   4.769  -3.554
  262   1HB   PRO  37          1HB       PRO  37   7.848   6.457  -4.981
  263   2HB   PRO  37          2HB       PRO  37   8.231   5.444  -3.570
  264   1HG   PRO  37          1HG       PRO  37   9.090   5.054  -6.319
  265   2HG   PRO  37          2HG       PRO  37   9.480   4.068  -4.882
  266   1HD   PRO  37          1HD       PRO  37   7.535   3.541  -7.011
  267   2HD   PRO  37          2HD       PRO  37   8.205   2.433  -5.787
  268    H    PHE  38           H        PHE  38   5.311   7.179  -3.921
  269    HA   PHE  38           HA       PHE  38   4.585   7.926  -6.574
  270   1HB   PHE  38          1HB       PHE  38   2.254   7.934  -6.479
  271   2HB   PHE  38          2HB       PHE  38   2.695   6.316  -6.001
  272    HD1  PHE  38           1HD      PHE  38   0.759   9.201  -5.202
  273    HD2  PHE  38           2HD      PHE  38   2.693   5.797  -3.382
  274    HE1  PHE  38           1HE      PHE  38  -0.714   9.410  -3.252
  275    HE2  PHE  38           2HE      PHE  38   1.138   5.994  -1.449
  276    HZ   PHE  38           HZ       PHE  38  -0.546   7.788  -1.370
  277    H    VAL  39           H        VAL  39   3.361  10.120  -6.411
  278    HA   VAL  39           HA       VAL  39   4.698  11.703  -4.306
  279    HB   VAL  39           HB       VAL  39   3.352  12.377  -6.967
  280   1HG1  VAL  39          1HG1      VAL  39   4.221  14.728  -6.490
  281   2HG1  VAL  39          2HG1      VAL  39   2.839  14.213  -5.516
  282   3HG1  VAL  39          3HG1      VAL  39   4.460  14.200  -4.809
  283   1HG2  VAL  39          1HG2      VAL  39   6.243  12.622  -6.021
  284   2HG2  VAL  39          2HG2      VAL  39   5.626  11.423  -7.178
  285   3HG2  VAL  39          3HG2      VAL  39   5.620  13.137  -7.603
  286    H    TYR  40           H        TYR  40   3.489  12.472  -2.606
  287    HA   TYR  40           HA       TYR  40   0.559  12.662  -2.859
  288   1HB   TYR  40          1HB       TYR  40   0.903  10.586  -1.767
  289   2HB   TYR  40          2HB       TYR  40   2.262  11.176  -0.851
  290    HD1  TYR  40           1HD      TYR  40   2.034  11.933   1.298
  291    HD2  TYR  40           2HD      TYR  40  -1.477  11.631  -1.188
  292    HE1  TYR  40           1HE      TYR  40   0.635  12.362   3.262
  293    HE2  TYR  40           2HE      TYR  40  -2.900  12.110   0.772
  294    HH   TYR  40           HH       TYR  40  -2.806  13.007   3.001
  295    H    GLY  41           H        GLY  41  -0.218  14.215  -1.042
  296   1HA   GLY  41          1HA       GLY  41   1.831  16.395  -0.777
  297   2HA   GLY  41          2HA       GLY  41   0.125  16.586  -1.110
  298    H    GLY  42           H        GLY  42   0.090  14.331   1.325
  299   1HA   GLY  42          1HA       GLY  42   0.042  14.521   3.677
  300   2HA   GLY  42          2HA       GLY  42   0.361  16.259   3.575
  301    H    CYS  43           H        CYS  43  -1.722  16.636   1.503
  302    HA   CYS  43           HA       CYS  43  -4.130  16.876   3.089
  303   1HB   CYS  43          1HB       CYS  43  -5.006  17.611   0.750
  304   2HB   CYS  43          2HB       CYS  43  -3.862  18.614   1.597
  305    H    GLU  44           H        GLU  44  -6.142  16.239   1.566
  306    HA   GLU  44           HA       GLU  44  -7.065  13.799   1.946
  307   1HB   GLU  44          1HB       GLU  44  -7.447  15.283  -0.674
  308   2HB   GLU  44          2HB       GLU  44  -8.498  14.052   0.008
  309   1HG   GLU  44          1HG       GLU  44  -9.617  15.923   0.670
  310   2HG   GLU  44          2HG       GLU  44  -8.630  15.665   2.100
  311    H    GLY  45           H        GLY  45  -6.828  11.680   1.254
  312   1HA   GLY  45          1HA       GLY  45  -5.973  10.975  -1.344
  313   2HA   GLY  45          2HA       GLY  45  -4.703  10.630  -0.148
  314    H    ASN  46           H        ASN  46  -5.642   8.378  -1.208
  315    HA   ASN  46           HA       ASN  46  -7.993   7.467   0.369
  316   1HB   ASN  46          1HB       ASN  46  -6.508   5.774  -1.647
  317   2HB   ASN  46          2HB       ASN  46  -8.099   5.525  -0.974
  318   1HD2  ASN  46          1HD2      ASN  46  -7.588   5.537  -3.877
  319   2HD2  ASN  46          2HD2      ASN  46  -8.529   6.912  -4.417
  320    H    GLY  47           H        GLY  47  -7.626   5.011   0.932
  321   1HA   GLY  47          1HA       GLY  47  -5.780   5.064   3.169
  322   2HA   GLY  47          2HA       GLY  47  -6.834   3.718   2.715
  323    H    ASN  48           H        ASN  48  -5.398   4.057  -0.115
  324    HA   ASN  48           HA       ASN  48  -3.271   2.105   0.432
  325   1HB   ASN  48          1HB       ASN  48  -4.818   1.967  -1.524
  326   2HB   ASN  48          2HB       ASN  48  -4.099   3.363  -2.231
  327   1HD2  ASN  48          1HD2      ASN  48  -3.910   1.283  -3.774
  328   2HD2  ASN  48          2HD2      ASN  48  -2.435   0.339  -3.723
  329    H    ASN  49           H        ASN  49  -2.273   3.728   1.882
  330    HA   ASN  49           HA       ASN  49  -0.290   5.389   0.437
  331   1HB   ASN  49          1HB       ASN  49  -2.324   6.782   1.036
  332   2HB   ASN  49          2HB       ASN  49  -2.048   6.393   2.732
  333   1HD2  ASN  49          1HD2      ASN  49  -1.807   8.906   0.827
  334   2HD2  ASN  49          2HD2      ASN  49  -0.324   9.652   1.341
  335    H    PHE  50           H        PHE  50   1.482   4.398   1.120
  336    HA   PHE  50           HA       PHE  50   1.725   3.452   3.918
  337   1HB   PHE  50          1HB       PHE  50   2.826   2.340   1.319
  338   2HB   PHE  50          2HB       PHE  50   3.372   1.773   2.835
  339    HD1  PHE  50           1HD      PHE  50   1.649   0.836   4.540
  340    HD2  PHE  50           2HD      PHE  50   0.625   1.638   0.420
  341    HE1  PHE  50           1HE      PHE  50  -0.487  -0.372   4.821
  342    HE2  PHE  50           2HE      PHE  50  -1.463   0.325   0.703
  343    HZ   PHE  50           HZ       PHE  50  -2.045  -0.638   2.904
  344    H    HIS  51           H        HIS  51   3.954   3.305   4.660
  345    HA   HIS  51           HA       HIS  51   5.105   6.017   4.405
  346   1HB   HIS  51          1HB       HIS  51   5.917   3.778   6.296
  347   2HB   HIS  51          2HB       HIS  51   6.148   5.492   6.489
  348    HD1  HIS  51           1HD      HIS  51   3.791   6.858   7.276
  349    HD2  HIS  51           2HD      HIS  51   3.670   2.653   6.948
  350    HE1  HIS  51           1HE      HIS  51   1.565   6.093   8.370
  351    HE2  HIS  51           2HE      HIS  51   1.512   3.517   8.171
  352    H    SER  52           H        SER  52   5.716   2.798   3.358
  353    HA   SER  52           HA       SER  52   8.377   3.422   2.324
  354   1HB   SER  52          1HB       SER  52   9.274   1.405   3.790
  355   2HB   SER  52          2HB       SER  52   9.114   2.990   4.553
  356    HG   SER  52           HG       SER  52   8.101   1.074   5.738
  357    H    ARG  53           H        ARG  53   9.299   1.403   1.391
  358    HA   ARG  53           HA       ARG  53   7.427  -0.052  -0.262
  359   1HB   ARG  53          1HB       ARG  53   9.727   0.388  -0.957
  360   2HB   ARG  53          2HB       ARG  53  10.347  -0.522   0.420
  361   1HG   ARG  53          1HG       ARG  53  10.433  -1.807  -1.603
  362   2HG   ARG  53          2HG       ARG  53   9.394  -2.584  -0.422
  363   1HD   ARG  53          1HD       ARG  53   7.434  -1.522  -1.787
  364   2HD   ARG  53          2HD       ARG  53   8.633  -1.176  -3.008
  365    HE   ARG  53           HE       ARG  53   8.350  -3.905  -1.857
  366   1HH1  ARG  53          2HH2      ARG  53   7.842  -2.268  -4.973
  367   2HH1  ARG  53          1HH2      ARG  53   8.577  -3.579  -5.837
  368   1HH2  ARG  53          2HH1      ARG  53   9.078  -5.494  -2.940
  369   2HH2  ARG  53          1HH1      ARG  53   9.263  -5.506  -4.682
  370    H    GLU  54           H        GLU  54   9.295  -0.788   2.624
  371    HA   GLU  54           HA       GLU  54   8.658  -3.395   3.286
  372   1HB   GLU  54          1HB       GLU  54  10.384  -2.214   4.325
  373   2HB   GLU  54          2HB       GLU  54   9.466  -0.792   4.560
  374   1HG   GLU  54          1HG       GLU  54   8.315  -2.796   6.296
  375   2HG   GLU  54          2HG       GLU  54  10.078  -2.878   6.440
  376    H    SER  55           H        SER  55   7.197  -0.684   5.044
  377    HA   SER  55           HA       SER  55   5.087  -2.015   6.026
  378   1HB   SER  55          1HB       SER  55   3.793   0.067   6.310
  379   2HB   SER  55          2HB       SER  55   5.477   0.158   6.832
  380    HG   SER  55           HG       SER  55   6.001   1.325   5.076
  381    H    CYS  56           H        CYS  56   5.128  -0.935   2.737
  382    HA   CYS  56           HA       CYS  56   2.287  -1.365   2.269
  383   1HB   CYS  56          1HB       CYS  56   4.063   0.163   1.049
  384   2HB   CYS  56          2HB       CYS  56   4.636  -1.281   0.293
  385    H    GLU  57           H        GLU  57   5.253  -3.165   1.516
  386    HA   GLU  57           HA       GLU  57   3.732  -5.416   0.390
  387   1HB   GLU  57          1HB       GLU  57   6.647  -5.134   1.193
  388   2HB   GLU  57          2HB       GLU  57   5.923  -6.708   0.800
  389   1HG   GLU  57          1HG       GLU  57   5.058  -5.684  -1.369
  390   2HG   GLU  57          2HG       GLU  57   6.064  -4.280  -1.029
  391    H    ASP  58           H        ASP  58   4.847  -4.504   3.653
  392    HA   ASP  58           HA       ASP  58   4.092  -6.911   4.971
  393   1HB   ASP  58          1HB       ASP  58   5.471  -5.154   5.983
  394   2HB   ASP  58          2HB       ASP  58   4.120  -4.024   5.910
  395    H    ALA  59           H        ALA  59   2.152  -3.926   4.079
  396    HA   ALA  59           HA       ALA  59  -0.192  -4.892   5.380
  397   1HB   ALA  59          1HB       ALA  59   0.188  -2.551   4.813
  398   2HB   ALA  59          2HB       ALA  59   0.109  -2.924   3.072
  399   3HB   ALA  59          3HB       ALA  59  -1.332  -3.130   4.095
  400    H    CYS  60           H        CYS  60   0.918  -5.245   1.977
  401    HA   CYS  60           HA       CYS  60  -1.137  -7.375   1.677
  402   1HB   CYS  60          1HB       CYS  60  -0.559  -5.157  -0.229
  403   2HB   CYS  60          2HB       CYS  60  -1.064  -6.736  -0.824
  404    HA   PRO  61           HA       PRO  61   3.080  -9.033   1.236
  405   1HB   PRO  61          1HB       PRO  61   2.792 -11.299   2.735
  406   2HB   PRO  61          2HB       PRO  61   3.052  -9.681   3.458
  407   1HG   PRO  61          1HG       PRO  61   0.435 -11.157   3.087
  408   2HG   PRO  61          2HG       PRO  61   1.034 -10.300   4.545
  409   1HD   PRO  61          1HD       PRO  61  -0.699  -9.165   2.755
  410   2HD   PRO  61          2HD       PRO  61   0.511  -8.199   3.628
  411    H    VAL  62           H        VAL  62   3.872 -11.012   0.224
  412    HA   VAL  62           HA       VAL  62   1.851 -12.186  -1.597
  413    HB   VAL  62           HB       VAL  62   4.604 -11.511  -2.538
  414   1HG1  VAL  62          1HG1      VAL  62   3.625 -11.371  -4.735
  415   2HG1  VAL  62          2HG1      VAL  62   3.237 -12.917  -4.014
  416   3HG1  VAL  62          3HG1      VAL  62   2.004 -11.646  -4.078
  417   1HG2  VAL  62          1HG2      VAL  62   3.865  -9.288  -1.794
  418   2HG2  VAL  62          2HG2      VAL  62   3.769  -9.345  -3.548
  419   3HG2  VAL  62          3HG2      VAL  62   2.288  -9.510  -2.574
  420    H    VAL  63           H        VAL  63   2.754 -14.038  -2.689
  421    HA   VAL  63           HA       VAL  63   4.520 -15.803  -1.082
  422    HB   VAL  63           HB       VAL  63   1.842 -16.735  -2.129
  423   1HG1  VAL  63          1HG1      VAL  63   2.158 -18.527  -0.355
  424   2HG1  VAL  63          2HG1      VAL  63   3.290 -18.621  -1.681
  425   3HG1  VAL  63          3HG1      VAL  63   3.804 -17.918  -0.121
  426   1HG2  VAL  63          1HG2      VAL  63   0.981 -16.679   0.230
  427   2HG2  VAL  63          2HG2      VAL  63   2.430 -15.763   0.701
  428   3HG2  VAL  63          3HG2      VAL  63   1.245 -15.074  -0.425
  429    H    ASP  64           H        ASP  64   4.658 -17.886  -2.534
  430    HA   ASP  64           HA       ASP  64   6.074 -17.337  -4.921
  431   1HB   ASP  64          1HB       ASP  64   6.361 -19.536  -4.143
  432   2HB   ASP  64          2HB       ASP  64   4.613 -19.807  -3.970
  433    H    HIS  65           H        HIS  65   5.492 -17.059  -7.039
  434    HA   HIS  65           HA       HIS  65   2.979 -15.829  -7.432
  435   1HB   HIS  65          1HB       HIS  65   5.118 -16.467  -9.485
  436   2HB   HIS  65          2HB       HIS  65   3.833 -15.261  -9.614
  437    HD1  HIS  65           1HD      HIS  65   3.896 -13.344  -7.411
  438    HD2  HIS  65           2HD      HIS  65   7.338 -15.688  -8.252
  439    HE1  HIS  65           1HE      HIS  65   5.751 -12.527  -5.856
  440    HE2  HIS  65           2HE      HIS  65   7.875 -13.852  -6.455
  441    H    HIS  66           H        HIS  66   3.415 -19.200  -7.476
  442    HA   HIS  66           HA       HIS  66   1.466 -19.606  -9.669
  443   1HB   HIS  66          1HB       HIS  66   2.392 -21.602  -7.565
  444   2HB   HIS  66          2HB       HIS  66   1.493 -21.943  -9.025
  445    HD1  HIS  66           1HD      HIS  66   5.025 -20.865  -7.926
  446    HD2  HIS  66           2HD      HIS  66   2.899 -22.446 -11.229
  447    HE1  HIS  66           1HE      HIS  66   6.795 -21.599  -9.639
  448    HE2  HIS  66           2HE      HIS  66   5.491 -22.571 -11.668
  449    H    HIS  67           H        HIS  67   1.421 -18.532  -6.425
  450    HA   HIS  67           HA       HIS  67  -0.857 -19.608  -5.265
  451   1HB   HIS  67          1HB       HIS  67   0.807 -18.289  -4.104
  452   2HB   HIS  67          2HB       HIS  67   0.466 -16.882  -5.112
  453    HD1  HIS  67           1HD      HIS  67  -0.031 -15.285  -3.014
  454    HD2  HIS  67           2HD      HIS  67  -2.643 -18.617  -3.516
  455    HE1  HIS  67           1HE      HIS  67  -1.773 -15.098  -1.284
  456    HE2  HIS  67           2HE      HIS  67  -3.546 -16.787  -1.799
  457    H    HIS  68           H        HIS  68  -2.544 -19.870  -6.840
  458    HA   HIS  68           HA       HIS  68  -3.753 -17.612  -8.186
  459   1HB   HIS  68          1HB       HIS  68  -4.250 -19.931  -8.901
  460   2HB   HIS  68          2HB       HIS  68  -4.895 -20.312  -7.305
  461    HD1  HIS  68           1HD      HIS  68  -5.872 -17.739 -10.129
  462    HD2  HIS  68           2HD      HIS  68  -7.452 -20.064  -6.965
  463    HE1  HIS  68           1HE      HIS  68  -8.395 -17.188  -9.911
  464    HE2  HIS  68           2HE      HIS  68  -9.300 -18.549  -8.058
  465    H    HIS  69           H        HIS  69  -5.204 -16.113  -7.315
  466    HA   HIS  69           HA       HIS  69  -5.628 -16.036  -4.380
  467   1HB   HIS  69          1HB       HIS  69  -6.438 -14.125  -6.645
  468   2HB   HIS  69          2HB       HIS  69  -6.641 -13.829  -4.931
  469    HD1  HIS  69           1HD      HIS  69  -5.167 -11.521  -5.582
  470    HD2  HIS  69           2HD      HIS  69  -3.230 -15.258  -5.163
  471    HE1  HIS  69           1HE      HIS  69  -2.686 -11.043  -5.315
  472    HE2  HIS  69           2HE      HIS  69  -1.522 -13.337  -4.994
  473    H    HIS  70           H        HIS  70  -8.410 -14.688  -5.100
  474    HA   HIS  70           HA       HIS  70  -9.999 -17.076  -4.952
  475   1HB   HIS  70          1HB       HIS  70 -10.700 -14.848  -4.124
  476   2HB   HIS  70          2HB       HIS  70 -10.630 -14.204  -5.771
  477    HD1  HIS  70           1HD      HIS  70 -12.277 -16.920  -6.890
  478    HD2  HIS  70           2HD      HIS  70 -13.217 -13.964  -4.032
  479    HE1  HIS  70           1HE      HIS  70 -14.914 -16.642  -6.863
  480    HE2  HIS  70           2HE      HIS  70 -15.378 -14.740  -5.095
  Start of MODEL   10
    1   1H    GLU   1          1H        GLU   1 -11.967   0.907   1.308
    2   2H    GLU   1          2H        GLU   1 -10.588   1.319   0.494
    3   3H    GLU   1          H         GLU   1 -11.171  -0.218   0.376
    4    HA   GLU   1           HA       GLU   1 -13.053   0.481  -0.822
    5   1HB   GLU   1          1HB       GLU   1 -12.666   3.064  -1.632
    6   2HB   GLU   1          2HB       GLU   1 -13.816   2.522  -0.432
    7   1HG   GLU   1          1HG       GLU   1 -12.650   4.519   0.317
    8   2HG   GLU   1          2HG       GLU   1 -12.365   3.164   1.396
    9    H    ALA   2           H        ALA   2 -12.935   0.591  -3.153
   10    HA   ALA   2           HA       ALA   2 -10.604   1.399  -4.528
   11   1HB   ALA   2          1HB       ALA   2  -9.831  -0.869  -3.707
   12   2HB   ALA   2          2HB       ALA   2 -11.260  -1.596  -4.478
   13   3HB   ALA   2          3HB       ALA   2 -10.002  -0.809  -5.461
   14    H    GLU   3           H        GLU   3 -11.271  -0.133  -6.868
   15    HA   GLU   3           HA       GLU   3 -13.425   1.183  -8.028
   16   1HB   GLU   3          1HB       GLU   3 -12.162  -1.539  -8.587
   17   2HB   GLU   3          2HB       GLU   3 -13.387  -0.815  -9.620
   18   1HG   GLU   3          1HG       GLU   3 -11.227  -0.384 -10.579
   19   2HG   GLU   3          2HG       GLU   3 -11.972   1.127 -10.071
   20    H    ALA   4           H        ALA   4 -13.516  -1.329  -5.691
   21    HA   ALA   4           HA       ALA   4 -16.449  -1.643  -5.921
   22   1HB   ALA   4          1HB       ALA   4 -16.146  -3.875  -4.834
   23   2HB   ALA   4          2HB       ALA   4 -15.418  -3.815  -6.454
   24   3HB   ALA   4          3HB       ALA   4 -14.386  -3.706  -5.009
   25    H    GLU   5           H        GLU   5 -17.436  -0.992  -4.045
   26    HA   GLU   5           HA       GLU   5 -16.255   0.765  -2.314
   27   1HB   GLU   5          1HB       GLU   5 -18.693  -0.997  -1.835
   28   2HB   GLU   5          2HB       GLU   5 -18.288   0.443  -0.894
   29   1HG   GLU   5          1HG       GLU   5 -18.580   1.868  -2.859
   30   2HG   GLU   5          2HG       GLU   5 -18.839   0.454  -3.895
   31    H    PHE   6           H        PHE   6 -17.337  -2.499  -1.267
   32    HA   PHE   6           HA       PHE   6 -15.505  -2.360   1.044
   33   1HB   PHE   6          1HB       PHE   6 -17.856  -3.188   1.281
   34   2HB   PHE   6          2HB       PHE   6 -17.452  -4.564   0.264
   35    HD1  PHE   6           1HD      PHE   6 -15.994  -6.373   1.130
   36    HD2  PHE   6           2HD      PHE   6 -16.912  -2.919   3.542
   37    HE1  PHE   6           1HE      PHE   6 -15.097  -7.530   3.133
   38    HE2  PHE   6           2HE      PHE   6 -16.015  -4.077   5.542
   39    HZ   PHE   6           HZ       PHE   6 -15.102  -6.384   5.345
   40    H    THR   7           H        THR   7 -13.527  -2.400   0.042
   41    HA   THR   7           HA       THR   7 -12.395  -4.992  -0.467
   42    HB   THR   7           HB       THR   7 -12.606  -2.872  -2.652
   43    HG1  THR   7           1HG      THR   7 -14.035  -4.822  -2.314
   44   1HG2  THR   7          1HG2      THR   7 -10.648  -5.206  -2.566
   45   2HG2  THR   7          2HG2      THR   7 -11.017  -4.209  -3.991
   46   3HG2  THR   7          3HG2      THR   7 -10.233  -3.472  -2.590
   47    H    ASP   8           H        ASP   8  -9.975  -4.721  -0.210
   48    HA   ASP   8           HA       ASP   8  -9.522  -2.731   1.842
   49   1HB   ASP   8          1HB       ASP   8  -8.482  -4.939   2.046
   50   2HB   ASP   8          2HB       ASP   8  -7.565  -4.664   0.545
   51    H    ALA   9           H        ALA   9  -7.968  -1.156   1.835
   52    HA   ALA   9           HA       ALA   9  -7.909   0.759  -0.265
   53   1HB   ALA   9          1HB       ALA   9  -6.009   1.660   1.050
   54   2HB   ALA   9          2HB       ALA   9  -7.412   1.306   2.076
   55   3HB   ALA   9          3HB       ALA   9  -5.997   0.214   2.062
   56    H    CYS  10           H        CYS  10  -5.596  -2.004   0.462
   57    HA   CYS  10           HA       CYS  10  -3.568  -0.925  -1.150
   58   1HB   CYS  10          1HB       CYS  10  -2.443  -2.854  -0.761
   59   2HB   CYS  10          2HB       CYS  10  -3.622  -2.913   0.523
   60    H    VAL  11           H        VAL  11  -6.576  -2.375  -2.222
   61    HA   VAL  11           HA       VAL  11  -5.579  -3.142  -4.851
   62    HB   VAL  11           HB       VAL  11  -8.397  -2.714  -3.791
   63   1HG1  VAL  11          1HG1      VAL  11  -9.202  -4.072  -5.640
   64   2HG1  VAL  11          2HG1      VAL  11  -8.346  -2.677  -6.288
   65   3HG1  VAL  11          3HG1      VAL  11  -7.559  -4.272  -6.272
   66   1HG2  VAL  11          1HG2      VAL  11  -8.411  -5.245  -3.684
   67   2HG2  VAL  11          2HG2      VAL  11  -6.670  -5.220  -4.021
   68   3HG2  VAL  11          3HG2      VAL  11  -7.311  -4.490  -2.532
   69    H    LEU  12           H        LEU  12  -6.937  -0.229  -3.380
   70    HA   LEU  12           HA       LEU  12  -7.910   1.071  -5.679
   71   1HB   LEU  12          1HB       LEU  12  -8.809   1.766  -3.728
   72   2HB   LEU  12          2HB       LEU  12  -7.341   1.688  -2.828
   73    HG   LEU  12           HG       LEU  12  -6.930   3.931  -4.349
   74   1HD1  LEU  12          1HD1      LEU  12  -9.866   3.969  -3.515
   75   2HD1  LEU  12          2HD1      LEU  12  -8.969   5.237  -4.377
   76   3HD1  LEU  12          3HD1      LEU  12  -9.387   3.718  -5.193
   77   1HD2  LEU  12          1HD2      LEU  12  -7.560   5.095  -2.327
   78   2HD2  LEU  12          2HD2      LEU  12  -8.261   3.596  -1.661
   79   3HD2  LEU  12          3HD2      LEU  12  -6.524   3.695  -2.003
   80    HA   PRO  13           HA       PRO  13  -4.289   2.833  -7.616
   81   1HB   PRO  13          1HB       PRO  13  -5.970   5.333  -7.774
   82   2HB   PRO  13          2HB       PRO  13  -5.026   4.542  -9.070
   83   1HG   PRO  13          1HG       PRO  13  -7.741   4.248  -8.930
   84   2HG   PRO  13          2HG       PRO  13  -6.685   2.872  -9.384
   85   1HD   PRO  13          1HD       PRO  13  -8.029   3.383  -6.733
   86   2HD   PRO  13          2HD       PRO  13  -7.707   1.859  -7.586
   87    H    ALA  14           H        ALA  14  -2.687   4.608  -7.322
   88    HA   ALA  14           HA       ALA  14  -2.473   5.387  -4.479
   89   1HB   ALA  14          1HB       ALA  14  -0.471   4.662  -5.767
   90   2HB   ALA  14          2HB       ALA  14  -0.667   6.063  -6.851
   91   3HB   ALA  14          3HB       ALA  14  -0.310   6.311  -5.129
   92    H    VAL  15           H        VAL  15  -3.741   7.100  -3.843
   93    HA   VAL  15           HA       VAL  15  -4.408   9.224  -5.767
   94    HB   VAL  15           HB       VAL  15  -5.275   8.898  -2.904
   95   1HG1  VAL  15          1HG1      VAL  15  -5.632  11.160  -3.608
   96   2HG1  VAL  15          2HG1      VAL  15  -6.408  10.624  -5.127
   97   3HG1  VAL  15          3HG1      VAL  15  -7.183  10.350  -3.553
   98   1HG2  VAL  15          1HG2      VAL  15  -6.104   6.941  -4.106
   99   2HG2  VAL  15          2HG2      VAL  15  -7.459   8.053  -3.960
  100   3HG2  VAL  15          3HG2      VAL  15  -6.590   7.941  -5.494
  101    H    GLN  16           H        GLN  16  -3.549  11.114  -5.724
  102    HA   GLN  16           HA       GLN  16  -1.188  11.681  -4.014
  103   1HB   GLN  16          1HB       GLN  16  -2.438  13.561  -6.070
  104   2HB   GLN  16          2HB       GLN  16  -0.925  13.753  -5.212
  105   1HG   GLN  16          1HG       GLN  16  -0.170  11.590  -6.415
  106   2HG   GLN  16          2HG       GLN  16  -1.571  11.859  -7.475
  107   1HE2  GLN  16          1HE2      GLN  16   1.642  12.811  -6.728
  108   2HE2  GLN  16          2HE2      GLN  16   1.703  14.306  -7.649
  109    H    GLY  17           H        GLY  17  -4.519  12.897  -4.441
  110   1HA   GLY  17          1HA       GLY  17  -5.777  13.923  -2.720
  111   2HA   GLY  17          2HA       GLY  17  -4.272  14.462  -1.930
  112    HA   PRO  18           HA       PRO  18  -6.048  17.607  -4.993
  113   1HB   PRO  18          1HB       PRO  18  -6.744  19.676  -3.298
  114   2HB   PRO  18          2HB       PRO  18  -7.820  18.324  -3.756
  115   1HG   PRO  18          1HG       PRO  18  -6.196  18.650  -1.236
  116   2HG   PRO  18          2HG       PRO  18  -7.870  18.053  -1.407
  117   1HD   PRO  18          1HD       PRO  18  -5.704  16.384  -1.132
  118   2HD   PRO  18          2HD       PRO  18  -7.147  15.918  -2.073
  119    H    CYS  19           H        CYS  19  -3.942  18.315  -2.144
  120    HA   CYS  19           HA       CYS  19  -2.829  20.652  -3.287
  121   1HB   CYS  19          1HB       CYS  19  -1.401  18.910  -1.281
  122   2HB   CYS  19          2HB       CYS  19  -1.280  20.638  -1.466
  123    H    ARG  20           H        ARG  20  -0.635  20.991  -3.755
  124    HA   ARG  20           HA       ARG  20   0.678  18.892  -5.403
  125   1HB   ARG  20          1HB       ARG  20   0.298  21.785  -6.018
  126   2HB   ARG  20          2HB       ARG  20   1.700  20.940  -6.614
  127   1HG   ARG  20          1HG       ARG  20   0.021  21.048  -8.310
  128   2HG   ARG  20          2HG       ARG  20   0.366  19.392  -7.898
  129   1HD   ARG  20          1HD       ARG  20  -2.095  20.816  -6.845
  130   2HD   ARG  20          2HD       ARG  20  -2.050  20.131  -8.468
  131    HE   ARG  20           HE       ARG  20  -2.553  18.762  -6.064
  132   1HH1  ARG  20          2HH2      ARG  20  -1.057  18.092  -9.230
  133   2HH1  ARG  20          1HH2      ARG  20  -1.122  16.360  -8.973
  134   1HH2  ARG  20          2HH1      ARG  20  -2.652  16.480  -5.844
  135   2HH2  ARG  20          1HH1      ARG  20  -1.991  15.488  -7.112
  136    H    GLY  21           H        GLY  21   1.002  20.012  -2.581
  137   1HA   GLY  21          1HA       GLY  21   3.912  20.681  -2.480
  138   2HA   GLY  21          2HA       GLY  21   2.871  20.281  -1.064
  139    H    TRP  22           H        TRP  22   5.361  18.525  -1.255
  140    HA   TRP  22           HA       TRP  22   4.153  16.120  -2.354
  141   1HB   TRP  22          1HB       TRP  22   6.875  17.230  -3.107
  142   2HB   TRP  22          2HB       TRP  22   6.325  15.622  -3.474
  143    HD1  TRP  22           HD       TRP  22   7.151  18.278  -5.342
  144    HE1  TRP  22           1HE      TRP  22   5.694  18.834  -7.361
  145    HE3  TRP  22           3HE      TRP  22   2.927  15.639  -4.093
  146    HZ2  TRP  22           2HZ      TRP  22   3.060  18.179  -8.356
  147    HZ3  TRP  22           3HZ      TRP  22   0.971  15.643  -5.574
  148    HH2  TRP  22           HH       TRP  22   1.044  16.868  -7.739
  149    H    GLU  23           H        GLU  23   4.482  14.609  -1.236
  150    HA   GLU  23           HA       GLU  23   6.628  14.153   0.788
  151   1HB   GLU  23          1HB       GLU  23   4.744  14.811   2.048
  152   2HB   GLU  23          2HB       GLU  23   3.620  14.026   0.955
  153   1HG   GLU  23          1HG       GLU  23   3.484  12.818   2.875
  154   2HG   GLU  23          2HG       GLU  23   4.384  11.802   1.772
  155    HA   PRO  24           HA       PRO  24   6.679  10.316  -1.918
  156   1HB   PRO  24          1HB       PRO  24   8.770   9.066  -0.737
  157   2HB   PRO  24          2HB       PRO  24   8.996  10.465  -1.832
  158   1HG   PRO  24          1HG       PRO  24   8.976  10.455   1.200
  159   2HG   PRO  24          2HG       PRO  24  10.149  11.247   0.103
  160   1HD   PRO  24          1HD       PRO  24   8.067  12.587   1.247
  161   2HD   PRO  24          2HD       PRO  24   8.641  12.989  -0.396
  162    H    ARG  25           H        ARG  25   5.345   8.743  -1.657
  163    HA   ARG  25           HA       ARG  25   5.111   7.363   0.952
  164   1HB   ARG  25          1HB       ARG  25   2.796   8.351  -0.769
  165   2HB   ARG  25          2HB       ARG  25   2.598   7.161   0.517
  166   1HG   ARG  25          1HG       ARG  25   3.643   9.981   0.903
  167   2HG   ARG  25          2HG       ARG  25   1.995   9.444   1.205
  168   1HD   ARG  25          1HD       ARG  25   2.779   7.902   2.959
  169   2HD   ARG  25          2HD       ARG  25   4.446   8.378   2.654
  170    HE   ARG  25           HE       ARG  25   4.188  10.394   3.679
  171   1HH1  ARG  25          2HH2      ARG  25   0.951   8.951   3.531
  172   2HH1  ARG  25          1HH2      ARG  25   0.218  10.137   4.545
  173   1HH2  ARG  25          2HH1      ARG  25   3.349  11.866   4.941
  174   2HH2  ARG  25          1HH1      ARG  25   1.661  11.932   5.417
  175    H    TRP  26           H        TRP  26   3.605   5.366   0.412
  176    HA   TRP  26           HA       TRP  26   4.617   3.988  -2.006
  177   1HB   TRP  26          1HB       TRP  26   4.738   3.204   0.933
  178   2HB   TRP  26          2HB       TRP  26   4.727   1.990  -0.339
  179    HD1  TRP  26           HD       TRP  26   6.905   4.877   1.013
  180    HE1  TRP  26           1HE      TRP  26   9.289   4.596   0.172
  181    HE3  TRP  26           3HE      TRP  26   6.162   0.838  -1.961
  182    HZ2  TRP  26           2HZ      TRP  26  10.691   2.889  -1.782
  183    HZ3  TRP  26           3HZ      TRP  26   7.926   0.137  -3.595
  184    HH2  TRP  26           HH       TRP  26  10.200   0.993  -3.370
  185    H    ALA  27           H        ALA  27   3.060   2.527  -2.883
  186    HA   ALA  27           HA       ALA  27   0.523   2.130  -1.450
  187   1HB   ALA  27          1HB       ALA  27  -0.009   4.132  -2.735
  188   2HB   ALA  27          2HB       ALA  27   0.760   3.450  -4.196
  189   3HB   ALA  27          3HB       ALA  27  -0.738   2.751  -3.558
  190    H    TYR  28           H        TYR  28  -0.497   0.220  -2.157
  191    HA   TYR  28           HA       TYR  28   1.213  -1.649  -3.675
  192   1HB   TYR  28          1HB       TYR  28  -0.068  -2.427  -1.663
  193   2HB   TYR  28          2HB       TYR  28  -1.538  -2.087  -2.534
  194    HD1  TYR  28           1HD      TYR  28  -2.504  -3.805  -3.992
  195    HD2  TYR  28           2HD      TYR  28   1.579  -4.170  -2.670
  196    HE1  TYR  28           1HE      TYR  28  -2.442  -6.111  -4.824
  197    HE2  TYR  28           2HE      TYR  28   1.627  -6.492  -3.474
  198    HH   TYR  28           HH       TYR  28   0.277  -8.288  -4.113
  199    H    SER  29           H        SER  29   0.747  -2.434  -5.698
  200    HA   SER  29           HA       SER  29  -1.638  -1.346  -7.064
  201   1HB   SER  29          1HB       SER  29   1.232  -1.393  -7.910
  202   2HB   SER  29          2HB       SER  29  -0.006  -1.360  -9.135
  203    HG   SER  29           HG       SER  29  -0.649   0.252  -7.052
  204    HA   PRO  30           HA       PRO  30  -1.982  -5.861  -7.176
  205   1HB   PRO  30          1HB       PRO  30  -4.526  -6.019  -8.209
  206   2HB   PRO  30          2HB       PRO  30  -4.185  -5.703  -6.478
  207   1HG   PRO  30          1HG       PRO  30  -4.835  -3.697  -8.654
  208   2HG   PRO  30          2HG       PRO  30  -5.497  -3.798  -6.998
  209   1HD   PRO  30          1HD       PRO  30  -3.498  -2.088  -7.643
  210   2HD   PRO  30          2HD       PRO  30  -3.543  -2.889  -6.049
  211    H    LEU  31           H        LEU  31  -2.800  -3.544  -9.742
  212    HA   LEU  31           HA       LEU  31  -2.470  -5.243 -11.991
  213   1HB   LEU  31          1HB       LEU  31  -2.330  -2.272 -11.570
  214   2HB   LEU  31          2HB       LEU  31  -1.986  -2.984 -13.144
  215    HG   LEU  31           HG       LEU  31  -4.544  -3.644 -11.630
  216   1HD1  LEU  31          1HD1      LEU  31  -5.646  -1.953 -13.014
  217   2HD1  LEU  31          2HD1      LEU  31  -4.425  -1.229 -11.957
  218   3HD1  LEU  31          3HD1      LEU  31  -4.068  -1.464 -13.690
  219   1HD2  LEU  31          1HD2      LEU  31  -5.393  -4.203 -13.899
  220   2HD2  LEU  31          2HD2      LEU  31  -3.797  -3.846 -14.590
  221   3HD2  LEU  31          3HD2      LEU  31  -4.012  -5.212 -13.478
  222    H    LEU  32           H        LEU  32  -0.093  -4.039  -9.776
  223    HA   LEU  32           HA       LEU  32   2.126  -4.775 -11.623
  224   1HB   LEU  32          1HB       LEU  32   1.848  -2.862  -9.320
  225   2HB   LEU  32          2HB       LEU  32   3.425  -3.428  -9.773
  226    HG   LEU  32           HG       LEU  32   1.574  -2.061 -11.764
  227   1HD1  LEU  32          1HD1      LEU  32   3.831  -0.869 -10.094
  228   2HD1  LEU  32          2HD1      LEU  32   3.021  -0.055 -11.454
  229   3HD1  LEU  32          3HD1      LEU  32   2.097  -0.457 -10.009
  230   1HD2  LEU  32          1HD2      LEU  32   3.676  -1.722 -13.058
  231   2HD2  LEU  32          2HD2      LEU  32   4.570  -2.666 -11.842
  232   3HD2  LEU  32          3HD2      LEU  32   3.314  -3.431 -12.837
  233    H    GLN  33           H        GLN  33   0.187  -5.868  -9.178
  234    HA   GLN  33           HA       GLN  33   0.164  -7.222  -7.502
  235   1HB   GLN  33          1HB       GLN  33   0.735  -8.635  -9.547
  236   2HB   GLN  33          2HB       GLN  33   2.383  -8.714  -8.938
  237   1HG   GLN  33          1HG       GLN  33   0.568  -9.361  -6.783
  238   2HG   GLN  33          2HG       GLN  33   0.027 -10.248  -8.199
  239   1HE2  GLN  33          1HE2      GLN  33   3.174  -9.439  -6.663
  240   2HE2  GLN  33          2HE2      GLN  33   3.894 -11.040  -6.932
  241    H    GLN  34           H        GLN  34   1.853  -4.866  -7.063
  242    HA   GLN  34           HA       GLN  34   3.240  -5.750  -4.715
  243   1HB   GLN  34          1HB       GLN  34   4.869  -6.435  -6.664
  244   2HB   GLN  34          2HB       GLN  34   5.178  -4.695  -6.790
  245   1HG   GLN  34          1HG       GLN  34   6.054  -4.620  -4.531
  246   2HG   GLN  34          2HG       GLN  34   5.446  -6.247  -4.199
  247   1HE2  GLN  34          1HE2      GLN  34   7.186  -7.543  -3.982
  248   2HE2  GLN  34          2HE2      GLN  34   8.450  -7.764  -5.204
  249    H    CYS  35           H        CYS  35   4.494  -3.901  -3.721
  250    HA   CYS  35           HA       CYS  35   3.064  -1.374  -4.160
  251   1HB   CYS  35          1HB       CYS  35   5.128  -2.132  -2.075
  252   2HB   CYS  35          2HB       CYS  35   4.341  -0.565  -2.203
  253    H    HIS  36           H        HIS  36   3.884   0.494  -4.621
  254    HA   HIS  36           HA       HIS  36   6.727   0.709  -5.500
  255   1HB   HIS  36          1HB       HIS  36   6.082   1.946  -7.509
  256   2HB   HIS  36          2HB       HIS  36   5.371   0.340  -7.529
  257    HD1  HIS  36           1HD      HIS  36   4.307   4.021  -6.820
  258    HD2  HIS  36           2HD      HIS  36   2.666   0.203  -7.761
  259    HE1  HIS  36           1HE      HIS  36   1.774   4.334  -7.186
  260    HE2  HIS  36           2HE      HIS  36   0.848   1.947  -7.769
  261    HA   PRO  37           HA       PRO  37   6.303   4.550  -3.219
  262   1HB   PRO  37          1HB       PRO  37   8.250   6.112  -4.528
  263   2HB   PRO  37          2HB       PRO  37   8.518   5.034  -3.145
  264   1HG   PRO  37          1HG       PRO  37   9.382   4.667  -5.918
  265   2HG   PRO  37          2HG       PRO  37   9.761   3.665  -4.489
  266   1HD   PRO  37          1HD       PRO  37   7.809   3.186  -6.613
  267   2HD   PRO  37          2HD       PRO  37   8.403   2.070  -5.354
  268    H    PHE  38           H        PHE  38   5.772   7.011  -3.682
  269    HA   PHE  38           HA       PHE  38   5.261   7.738  -6.378
  270   1HB   PHE  38          1HB       PHE  38   2.926   7.902  -6.459
  271   2HB   PHE  38          2HB       PHE  38   3.233   6.260  -5.975
  272    HD1  PHE  38           1HD      PHE  38   2.994   5.694  -3.381
  273    HD2  PHE  38           2HD      PHE  38   1.417   9.254  -5.272
  274    HE1  PHE  38           1HE      PHE  38   1.235   5.894  -1.628
  275    HE2  PHE  38           2HE      PHE  38  -0.292   9.416  -3.525
  276    HZ   PHE  38           HZ       PHE  38  -0.413   7.723  -1.709
  277    H    VAL  39           H        VAL  39   4.189  10.018  -6.342
  278    HA   VAL  39           HA       VAL  39   5.224  11.445  -3.960
  279    HB   VAL  39           HB       VAL  39   4.354  12.617  -6.629
  280   1HG1  VAL  39          1HG1      VAL  39   5.715  14.505  -5.881
  281   2HG1  VAL  39          2HG1      VAL  39   4.602  14.072  -4.571
  282   3HG1  VAL  39          3HG1      VAL  39   6.298  13.578  -4.478
  283   1HG2  VAL  39          1HG2      VAL  39   6.778  12.771  -7.216
  284   2HG2  VAL  39          2HG2      VAL  39   7.159  11.697  -5.855
  285   3HG2  VAL  39          3HG2      VAL  39   6.188  11.111  -7.229
  286    H    TYR  40           H        TYR  40   3.703  11.790  -2.478
  287    HA   TYR  40           HA       TYR  40   0.823  11.938  -3.158
  288   1HB   TYR  40          1HB       TYR  40   1.199  10.211  -1.590
  289   2HB   TYR  40          2HB       TYR  40   2.488  11.071  -0.807
  290    HD1  TYR  40           1HD      TYR  40   2.151  11.886   1.268
  291    HD2  TYR  40           2HD      TYR  40  -1.258  11.504  -1.340
  292    HE1  TYR  40           1HE      TYR  40   0.647  12.475   3.150
  293    HE2  TYR  40           2HE      TYR  40  -2.727  12.267   0.519
  294    HH   TYR  40           HH       TYR  40  -2.612  13.284   2.732
  295    H    GLY  41           H        GLY  41  -0.338  13.754  -2.069
  296   1HA   GLY  41          1HA       GLY  41   1.318  16.104  -2.256
  297   2HA   GLY  41          2HA       GLY  41  -0.401  16.071  -2.314
  298    H    GLY  42           H        GLY  42   0.510  14.236   0.333
  299   1HA   GLY  42          1HA       GLY  42   1.000  14.553   2.509
  300   2HA   GLY  42          2HA       GLY  42   1.329  16.263   2.239
  301    H    CYS  43           H        CYS  43  -1.315  16.880   1.157
  302    HA   CYS  43           HA       CYS  43  -2.927  16.905   3.603
  303   1HB   CYS  43          1HB       CYS  43  -4.288  18.475   2.476
  304   2HB   CYS  43          2HB       CYS  43  -2.622  18.887   2.152
  305    H    GLU  44           H        GLU  44  -5.451  16.666   2.748
  306    HA   GLU  44           HA       GLU  44  -6.323  14.242   3.211
  307   1HB   GLU  44          1HB       GLU  44  -7.554  15.941   1.033
  308   2HB   GLU  44          2HB       GLU  44  -8.329  14.653   1.955
  309   1HG   GLU  44          1HG       GLU  44  -9.048  16.533   3.062
  310   2HG   GLU  44          2HG       GLU  44  -7.723  16.000   4.077
  311    H    GLY  45           H        GLY  45  -6.474  12.157   2.322
  312   1HA   GLY  45          1HA       GLY  45  -6.471  11.620  -0.472
  313   2HA   GLY  45          2HA       GLY  45  -4.924  11.192   0.268
  314    H    ASN  46           H        ASN  46  -6.127   9.049  -0.606
  315    HA   ASN  46           HA       ASN  46  -8.080   7.970   1.294
  316   1HB   ASN  46          1HB       ASN  46  -6.798   6.705  -1.135
  317   2HB   ASN  46          2HB       ASN  46  -8.154   6.060  -0.249
  318   1HD2  ASN  46          1HD2      ASN  46  -9.796   5.975  -1.637
  319   2HD2  ASN  46          2HD2      ASN  46 -10.382   7.376  -2.535
  320    H    GLY  47           H        GLY  47  -7.618   5.377   1.324
  321   1HA   GLY  47          1HA       GLY  47  -5.710   5.145   3.487
  322   2HA   GLY  47          2HA       GLY  47  -6.796   3.894   2.883
  323    H    ASN  48           H        ASN  48  -5.430   4.355   0.029
  324    HA   ASN  48           HA       ASN  48  -3.349   2.348   0.564
  325   1HB   ASN  48          1HB       ASN  48  -4.829   2.290  -1.463
  326   2HB   ASN  48          2HB       ASN  48  -3.941   3.599  -2.161
  327   1HD2  ASN  48          1HD2      ASN  48  -3.793   1.381  -3.634
  328   2HD2  ASN  48          2HD2      ASN  48  -2.397   0.405  -3.427
  329    H    ASN  49           H        ASN  49  -2.287   3.868   2.041
  330    HA   ASN  49           HA       ASN  49  -0.247   5.499   0.636
  331   1HB   ASN  49          1HB       ASN  49  -2.397   6.806   1.173
  332   2HB   ASN  49          2HB       ASN  49  -2.032   6.563   2.879
  333   1HD2  ASN  49          1HD2      ASN  49  -2.065   8.953   0.928
  334   2HD2  ASN  49          2HD2      ASN  49  -0.565   9.790   1.210
  335    H    PHE  50           H        PHE  50   1.533   4.581   1.393
  336    HA   PHE  50           HA       PHE  50   1.831   3.825   4.263
  337   1HB   PHE  50          1HB       PHE  50   2.852   2.562   1.685
  338   2HB   PHE  50          2HB       PHE  50   3.451   2.061   3.202
  339    HD1  PHE  50           1HD      PHE  50   0.530   2.084   0.919
  340    HD2  PHE  50           2HD      PHE  50   1.938   0.780   4.792
  341    HE1  PHE  50           1HE      PHE  50  -1.474   0.670   1.175
  342    HE2  PHE  50           2HE      PHE  50  -0.090  -0.622   5.033
  343    HZ   PHE  50           HZ       PHE  50  -1.828  -0.644   3.229
  344    H    HIS  51           H        HIS  51   4.072   4.076   5.080
  345    HA   HIS  51           HA       HIS  51   5.510   6.316   3.696
  346   1HB   HIS  51          1HB       HIS  51   5.636   5.275   6.532
  347   2HB   HIS  51          2HB       HIS  51   6.945   6.203   5.847
  348    HD1  HIS  51           1HD      HIS  51   6.475   8.831   5.240
  349    HD2  HIS  51           2HD      HIS  51   3.452   6.683   7.311
  350    HE1  HIS  51           1HE      HIS  51   5.021  10.564   6.376
  351    HE2  HIS  51           2HE      HIS  51   3.128   9.275   7.589
  352    H    SER  52           H        SER  52   5.671   2.828   3.841
  353    HA   SER  52           HA       SER  52   8.427   3.041   2.824
  354   1HB   SER  52          1HB       SER  52   8.987   1.113   4.487
  355   2HB   SER  52          2HB       SER  52   9.021   2.782   5.055
  356    HG   SER  52           HG       SER  52   7.783   0.964   6.286
  357    H    ARG  53           H        ARG  53   9.187   1.193   1.890
  358    HA   ARG  53           HA       ARG  53   7.377  -0.318   0.249
  359   1HB   ARG  53          1HB       ARG  53   9.671   0.181  -0.395
  360   2HB   ARG  53          2HB       ARG  53  10.292  -0.707   0.993
  361   1HG   ARG  53          1HG       ARG  53  10.468  -1.975  -1.025
  362   2HG   ARG  53          2HG       ARG  53   9.432  -2.800   0.127
  363   1HD   ARG  53          1HD       ARG  53   7.464  -1.847  -1.281
  364   2HD   ARG  53          2HD       ARG  53   8.666  -1.390  -2.458
  365    HE   ARG  53           HE       ARG  53   8.532  -4.167  -1.397
  366   1HH1  ARG  53          2HH2      ARG  53   7.895  -2.434  -4.445
  367   2HH1  ARG  53          1HH2      ARG  53   8.567  -3.735  -5.367
  368   1HH2  ARG  53          2HH1      ARG  53   9.130  -5.738  -2.567
  369   2HH2  ARG  53          1HH1      ARG  53   9.249  -5.689  -4.303
  370    H    GLU  54           H        GLU  54   9.189  -1.034   3.180
  371    HA   GLU  54           HA       GLU  54   8.568  -3.663   3.763
  372   1HB   GLU  54          1HB       GLU  54  10.207  -2.616   4.926
  373   2HB   GLU  54          2HB       GLU  54   9.423  -1.122   5.128
  374   1HG   GLU  54          1HG       GLU  54   8.533  -3.582   6.699
  375   2HG   GLU  54          2HG       GLU  54   9.970  -2.669   7.174
  376    H    SER  55           H        SER  55   7.011  -1.007   5.424
  377    HA   SER  55           HA       SER  55   4.924  -2.409   6.456
  378   1HB   SER  55          1HB       SER  55   3.620  -0.266   6.622
  379   2HB   SER  55          2HB       SER  55   5.294  -0.161   7.189
  380    HG   SER  55           HG       SER  55   5.831   1.072   5.560
  381    H    CYS  56           H        CYS  56   4.882  -0.882   3.297
  382    HA   CYS  56           HA       CYS  56   2.199  -1.527   2.614
  383   1HB   CYS  56          1HB       CYS  56   4.026   0.095   1.558
  384   2HB   CYS  56          2HB       CYS  56   4.599  -1.295   0.710
  385    H    GLU  57           H        GLU  57   5.239  -3.245   1.861
  386    HA   GLU  57           HA       GLU  57   3.725  -5.351   0.531
  387   1HB   GLU  57          1HB       GLU  57   6.597  -5.275   1.463
  388   2HB   GLU  57          2HB       GLU  57   5.820  -6.795   0.987
  389   1HG   GLU  57          1HG       GLU  57   5.081  -5.628  -1.172
  390   2HG   GLU  57          2HG       GLU  57   6.186  -4.325  -0.744
  391    H    ASP  58           H        ASP  58   4.565  -4.814   4.019
  392    HA   ASP  58           HA       ASP  58   3.574  -7.476   4.593
  393   1HB   ASP  58          1HB       ASP  58   5.000  -6.187   6.215
  394   2HB   ASP  58          2HB       ASP  58   3.518  -5.316   6.664
  395    H    ALA  59           H        ALA  59   1.910  -4.334   3.998
  396    HA   ALA  59           HA       ALA  59  -0.630  -5.401   4.878
  397   1HB   ALA  59          1HB       ALA  59  -0.023  -3.183   2.866
  398   2HB   ALA  59          2HB       ALA  59  -1.600  -3.549   3.586
  399   3HB   ALA  59          3HB       ALA  59  -0.266  -2.991   4.615
  400    H    CYS  60           H        CYS  60   0.722  -4.929   1.543
  401    HA   CYS  60           HA       CYS  60  -0.722  -7.348   0.645
  402   1HB   CYS  60          1HB       CYS  60  -0.861  -4.617  -0.546
  403   2HB   CYS  60          2HB       CYS  60  -1.150  -6.088  -1.479
  404    HA   PRO  61           HA       PRO  61   3.470  -7.831  -1.087
  405   1HB   PRO  61          1HB       PRO  61   3.998 -10.327  -0.094
  406   2HB   PRO  61          2HB       PRO  61   3.889  -8.935   0.956
  407   1HG   PRO  61          1HG       PRO  61   1.740 -10.980   0.322
  408   2HG   PRO  61          2HG       PRO  61   2.257 -10.351   1.917
  409   1HD   PRO  61          1HD       PRO  61   0.090  -9.406   0.440
  410   2HD   PRO  61          2HD       PRO  61   0.952  -8.496   1.717
  411    H    VAL  62           H        VAL  62   4.204 -10.175  -1.801
  412    HA   VAL  62           HA       VAL  62   2.983 -11.238  -4.303
  413    HB   VAL  62           HB       VAL  62   5.772 -11.458  -3.052
  414   1HG1  VAL  62          1HG1      VAL  62   4.657 -12.265  -5.761
  415   2HG1  VAL  62          2HG1      VAL  62   6.389 -11.960  -5.532
  416   3HG1  VAL  62          3HG1      VAL  62   5.608 -13.224  -4.613
  417   1HG2  VAL  62          1HG2      VAL  62   5.514  -9.103  -3.565
  418   2HG2  VAL  62          2HG2      VAL  62   6.562  -9.828  -4.774
  419   3HG2  VAL  62          3HG2      VAL  62   4.869  -9.466  -5.172
  420    H    VAL  63           H        VAL  63   4.273 -13.714  -3.646
  421    HA   VAL  63           HA       VAL  63   2.410 -15.078  -2.053
  422    HB   VAL  63           HB       VAL  63   5.214 -15.830  -1.453
  423   1HG1  VAL  63          1HG1      VAL  63   3.424 -17.099  -0.424
  424   2HG1  VAL  63          2HG1      VAL  63   2.757 -17.495  -2.027
  425   3HG1  VAL  63          3HG1      VAL  63   4.349 -18.115  -1.539
  426   1HG2  VAL  63          1HG2      VAL  63   3.874 -16.367  -4.155
  427   2HG2  VAL  63          2HG2      VAL  63   5.398 -15.485  -3.882
  428   3HG2  VAL  63          3HG2      VAL  63   5.325 -17.216  -3.577
  429    H    ASP  64           H        ASP  64   1.846 -14.986  -0.076
  430    HA   ASP  64           HA       ASP  64   2.843 -12.804   1.589
  431   1HB   ASP  64          1HB       ASP  64   0.482 -12.921   1.014
  432   2HB   ASP  64          2HB       ASP  64   0.327 -14.444   1.893
  433    H    HIS  65           H        HIS  65   3.078 -12.696   3.615
  434    HA   HIS  65           HA       HIS  65   4.718 -14.456   5.139
  435   1HB   HIS  65          1HB       HIS  65   3.189 -12.032   6.261
  436   2HB   HIS  65          2HB       HIS  65   4.762 -12.628   6.687
  437    HD1  HIS  65           1HD      HIS  65   2.914 -10.755   3.872
  438    HD2  HIS  65           2HD      HIS  65   6.622 -10.967   5.903
  439    HE1  HIS  65           1HE      HIS  65   4.328  -8.787   3.070
  440    HE2  HIS  65           2HE      HIS  65   6.515  -8.860   4.352
  441    H    HIS  66           H        HIS  66   1.377 -13.057   5.317
  442    HA   HIS  66           HA       HIS  66   0.661 -14.574   7.690
  443   1HB   HIS  66          1HB       HIS  66  -1.418 -13.222   5.998
  444   2HB   HIS  66          2HB       HIS  66  -1.270 -13.275   7.732
  445    HD1  HIS  66           1HD      HIS  66   1.048 -11.495   8.595
  446    HD2  HIS  66           2HD      HIS  66  -0.943 -10.919   4.893
  447    HE1  HIS  66           1HE      HIS  66   1.632  -9.151   7.778
  448    HE2  HIS  66           2HE      HIS  66   0.448  -8.780   5.584
  449    H    HIS  67           H        HIS  67  -1.225 -16.212   7.523
  450    HA   HIS  67           HA       HIS  67  -1.338 -17.575   4.909
  451   1HB   HIS  67          1HB       HIS  67  -0.287 -18.912   7.447
  452   2HB   HIS  67          2HB       HIS  67  -0.720 -19.763   5.980
  453    HD1  HIS  67           1HD      HIS  67   1.159 -17.183   4.335
  454    HD2  HIS  67           2HD      HIS  67   2.141 -20.150   7.202
  455    HE1  HIS  67           1HE      HIS  67   3.615 -17.669   4.050
  456    HE2  HIS  67           2HE      HIS  67   4.253 -19.415   5.821
  457    H    HIS  68           H        HIS  68  -2.957 -19.332   4.978
  458    HA   HIS  68           HA       HIS  68  -5.441 -18.632   6.038
  459   1HB   HIS  68          1HB       HIS  68  -5.368 -20.228   4.256
  460   2HB   HIS  68          2HB       HIS  68  -4.252 -21.273   5.123
  461    HD1  HIS  68           1HD      HIS  68  -8.050 -20.633   4.880
  462    HD2  HIS  68           2HD      HIS  68  -5.209 -22.973   6.974
  463    HE1  HIS  68           1HE      HIS  68  -9.362 -22.397   6.224
  464    HE2  HIS  68           2HE      HIS  68  -7.648 -23.736   7.569
  465    H    HIS  69           H        HIS  69  -6.074 -18.429   8.137
  466    HA   HIS  69           HA       HIS  69  -4.810 -19.555  10.450
  467   1HB   HIS  69          1HB       HIS  69  -6.449 -17.770  10.744
  468   2HB   HIS  69          2HB       HIS  69  -7.661 -18.633   9.813
  469    HD1  HIS  69           1HD      HIS  69  -8.264 -21.327  11.310
  470    HD2  HIS  69           2HD      HIS  69  -7.315 -17.598  13.171
  471    HE1  HIS  69           1HE      HIS  69  -9.302 -21.369  13.577
  472    HE2  HIS  69           2HE      HIS  69  -8.728 -19.132  14.756
  473    H    HIS  70           H        HIS  70  -4.815 -21.753  11.045
  474    HA   HIS  70           HA       HIS  70  -5.410 -23.820   9.437
  475   1HB   HIS  70          1HB       HIS  70  -4.284 -24.096  11.627
  476   2HB   HIS  70          2HB       HIS  70  -5.836 -23.883  12.448
  477    HD1  HIS  70           1HD      HIS  70  -7.251 -25.914  10.093
  478    HD2  HIS  70           2HD      HIS  70  -4.147 -26.554  12.899
  479    HE1  HIS  70           1HE      HIS  70  -7.163 -28.473  10.542
  480    HE2  HIS  70           2HE      HIS  70  -5.259 -28.839  12.249
  Start of MODEL   11
    1   1H    GLU   1          1H        GLU   1 -12.216  -0.286  -6.231
    2   2H    GLU   1          2H        GLU   1 -13.101  -1.052  -7.403
    3   3H    GLU   1          H         GLU   1 -12.590  -1.911  -6.087
    4    HA   GLU   1           HA       GLU   1 -13.976  -0.728  -4.624
    5   1HB   GLU   1          1HB       GLU   1 -14.201   1.092  -6.969
    6   2HB   GLU   1          2HB       GLU   1 -15.659   0.887  -6.005
    7   1HG   GLU   1          1HG       GLU   1 -14.300   2.780  -5.242
    8   2HG   GLU   1          2HG       GLU   1 -14.592   1.564  -3.999
    9    H    ALA   2           H        ALA   2 -16.624  -0.495  -6.047
   10    HA   ALA   2           HA       ALA   2 -17.609  -3.071  -5.426
   11   1HB   ALA   2          1HB       ALA   2 -18.966  -0.999  -5.405
   12   2HB   ALA   2          2HB       ALA   2 -18.867  -0.926  -7.187
   13   3HB   ALA   2          3HB       ALA   2 -19.718  -2.266  -6.394
   14    H    GLU   3           H        GLU   3 -15.783  -2.371  -8.170
   15    HA   GLU   3           HA       GLU   3 -17.033  -4.064 -10.120
   16   1HB   GLU   3          1HB       GLU   3 -14.017  -3.879  -9.870
   17   2HB   GLU   3          2HB       GLU   3 -15.010  -4.042 -11.305
   18   1HG   GLU   3          1HG       GLU   3 -14.152  -1.884 -11.459
   19   2HG   GLU   3          2HG       GLU   3 -15.789  -1.616 -10.856
   20    H    ALA   4           H        ALA   4 -15.284  -4.722  -7.176
   21    HA   ALA   4           HA       ALA   4 -15.305  -7.638  -7.718
   22   1HB   ALA   4          1HB       ALA   4 -12.977  -6.824  -7.650
   23   2HB   ALA   4          2HB       ALA   4 -13.282  -6.055  -6.076
   24   3HB   ALA   4          3HB       ALA   4 -13.331  -7.826  -6.229
   25    H    GLU   5           H        GLU   5 -15.330  -8.840  -5.565
   26    HA   GLU   5           HA       GLU   5 -17.692  -8.373  -4.151
   27   1HB   GLU   5          1HB       GLU   5 -15.180  -9.895  -3.324
   28   2HB   GLU   5          2HB       GLU   5 -16.769 -10.097  -2.584
   29   1HG   GLU   5          1HG       GLU   5 -17.688 -11.066  -4.594
   30   2HG   GLU   5          2HG       GLU   5 -16.256 -10.648  -5.540
   31    H    PHE   6           H        PHE   6 -14.427  -7.177  -3.515
   32    HA   PHE   6           HA       PHE   6 -15.345  -5.321  -1.539
   33   1HB   PHE   6          1HB       PHE   6 -15.031  -7.358  -0.132
   34   2HB   PHE   6          2HB       PHE   6 -13.392  -7.534  -0.740
   35    HD1  PHE   6           1HD      PHE   6 -11.669  -6.765   0.675
   36    HD2  PHE   6           2HD      PHE   6 -15.547  -4.878   0.873
   37    HE1  PHE   6           1HE      PHE   6 -10.842  -5.238   2.447
   38    HE2  PHE   6           2HE      PHE   6 -14.698  -3.336   2.624
   39    HZ   PHE   6           HZ       PHE   6 -12.341  -3.512   3.404
   40    H    THR   7           H        THR   7 -13.210  -4.030  -0.796
   41    HA   THR   7           HA       THR   7 -10.953  -4.248  -2.605
   42    HB   THR   7           HB       THR   7 -12.834  -1.857  -2.632
   43    HG1  THR   7           1HG      THR   7 -12.773  -3.824  -4.167
   44   1HG2  THR   7          1HG2      THR   7 -10.520  -0.967  -2.405
   45   2HG2  THR   7          2HG2      THR   7 -10.017  -1.953  -3.799
   46   3HG2  THR   7          3HG2      THR   7 -11.193  -0.655  -3.997
   47    H    ASP   8           H        ASP   8  -9.454  -4.425  -1.014
   48    HA   ASP   8           HA       ASP   8  -9.719  -3.008   1.571
   49   1HB   ASP   8          1HB       ASP   8  -8.535  -5.154   1.597
   50   2HB   ASP   8          2HB       ASP   8  -7.455  -4.612   0.298
   51    H    ALA   9           H        ALA   9  -7.931  -1.410   2.120
   52    HA   ALA   9           HA       ALA   9  -7.812   0.745   0.251
   53   1HB   ALA   9          1HB       ALA   9  -5.809   0.070   2.451
   54   2HB   ALA   9          2HB       ALA   9  -5.888   1.585   1.550
   55   3HB   ALA   9          3HB       ALA   9  -7.238   1.138   2.611
   56    H    CYS  10           H        CYS  10  -5.594  -2.062   0.787
   57    HA   CYS  10           HA       CYS  10  -3.537  -0.971  -0.855
   58   1HB   CYS  10          1HB       CYS  10  -2.400  -2.888  -0.429
   59   2HB   CYS  10          2HB       CYS  10  -3.534  -2.889   0.893
   60    H    VAL  11           H        VAL  11  -6.539  -2.555  -1.749
   61    HA   VAL  11           HA       VAL  11  -5.688  -3.154  -4.501
   62    HB   VAL  11           HB       VAL  11  -8.389  -3.277  -3.088
   63   1HG1  VAL  11          1HG1      VAL  11  -7.620  -4.462  -5.789
   64   2HG1  VAL  11          2HG1      VAL  11  -9.179  -4.640  -4.957
   65   3HG1  VAL  11          3HG1      VAL  11  -8.679  -3.060  -5.551
   66   1HG2  VAL  11          1HG2      VAL  11  -6.843  -4.913  -2.135
   67   2HG2  VAL  11          2HG2      VAL  11  -8.049  -5.734  -3.126
   68   3HG2  VAL  11          3HG2      VAL  11  -6.407  -5.485  -3.759
   69    H    LEU  12           H        LEU  12  -7.208  -0.557  -2.641
   70    HA   LEU  12           HA       LEU  12  -8.496   0.764  -4.793
   71   1HB   LEU  12          1HB       LEU  12  -9.498   1.256  -3.038
   72   2HB   LEU  12          2HB       LEU  12  -8.124   1.200  -1.919
   73    HG   LEU  12           HG       LEU  12  -7.620   3.561  -2.651
   74   1HD1  LEU  12          1HD1      LEU  12 -10.106   3.097  -4.332
   75   2HD1  LEU  12          2HD1      LEU  12  -9.889   4.679  -3.612
   76   3HD1  LEU  12          3HD1      LEU  12  -8.666   4.052  -4.723
   77   1HD2  LEU  12          1HD2      LEU  12 -10.381   2.962  -1.525
   78   2HD2  LEU  12          2HD2      LEU  12  -8.862   3.023  -0.609
   79   3HD2  LEU  12          3HD2      LEU  12  -9.528   4.501  -1.344
   80    HA   PRO  13           HA       PRO  13  -4.977   2.793  -6.672
   81   1HB   PRO  13          1HB       PRO  13  -7.123   4.824  -7.294
   82   2HB   PRO  13          2HB       PRO  13  -5.885   4.144  -8.389
   83   1HG   PRO  13          1HG       PRO  13  -8.466   3.249  -8.466
   84   2HG   PRO  13          2HG       PRO  13  -7.090   2.113  -8.641
   85   1HD   PRO  13          1HD       PRO  13  -8.845   2.552  -6.225
   86   2HD   PRO  13          2HD       PRO  13  -8.077   1.079  -6.804
   87    H    ALA  14           H        ALA  14  -3.837   4.934  -6.450
   88    HA   ALA  14           HA       ALA  14  -4.407   6.129  -3.765
   89   1HB   ALA  14          1HB       ALA  14  -2.007   6.459  -3.568
   90   2HB   ALA  14          2HB       ALA  14  -2.405   4.747  -3.779
   91   3HB   ALA  14          3HB       ALA  14  -1.735   5.688  -5.143
   92    H    VAL  15           H        VAL  15  -5.259   8.092  -3.995
   93    HA   VAL  15           HA       VAL  15  -4.754   9.807  -6.285
   94    HB   VAL  15           HB       VAL  15  -6.175  10.083  -3.641
   95   1HG1  VAL  15          1HG1      VAL  15  -5.966  12.283  -5.711
   96   2HG1  VAL  15          2HG1      VAL  15  -7.157  12.224  -4.390
   97   3HG1  VAL  15          3HG1      VAL  15  -5.457  12.315  -3.990
   98   1HG2  VAL  15          1HG2      VAL  15  -7.228  10.127  -6.514
   99   2HG2  VAL  15          2HG2      VAL  15  -7.265   8.712  -5.446
  100   3HG2  VAL  15          3HG2      VAL  15  -8.211  10.142  -5.032
  101    H    GLN  16           H        GLN  16  -3.602  11.621  -6.252
  102    HA   GLN  16           HA       GLN  16  -1.267  11.743  -4.403
  103   1HB   GLN  16          1HB       GLN  16  -1.635  13.036  -7.136
  104   2HB   GLN  16          2HB       GLN  16  -0.203  13.144  -6.113
  105   1HG   GLN  16          1HG       GLN  16  -0.444  10.441  -6.173
  106   2HG   GLN  16          2HG       GLN  16  -1.249  10.790  -7.690
  107   1HE2  GLN  16          1HE2      GLN  16   0.410  13.021  -8.583
  108   2HE2  GLN  16          2HE2      GLN  16   2.002  12.339  -8.880
  109    H    GLY  17           H        GLY  17  -4.165  13.527  -5.198
  110   1HA   GLY  17          1HA       GLY  17  -5.177  14.946  -3.721
  111   2HA   GLY  17          2HA       GLY  17  -3.651  15.323  -2.940
  112    HA   PRO  18           HA       PRO  18  -4.893  18.751  -5.899
  113   1HB   PRO  18          1HB       PRO  18  -6.124  20.555  -4.268
  114   2HB   PRO  18          2HB       PRO  18  -6.976  19.150  -4.974
  115   1HG   PRO  18          1HG       PRO  18  -5.805  19.411  -2.191
  116   2HG   PRO  18          2HG       PRO  18  -7.415  18.792  -2.669
  117   1HD   PRO  18          1HD       PRO  18  -5.283  17.127  -2.164
  118   2HD   PRO  18          2HD       PRO  18  -6.529  16.736  -3.368
  119    H    CYS  19           H        CYS  19  -3.386  18.883  -2.648
  120    HA   CYS  19           HA       CYS  19  -2.277  21.488  -3.007
  121   1HB   CYS  19          1HB       CYS  19  -1.227  19.342  -1.145
  122   2HB   CYS  19          2HB       CYS  19  -1.062  21.068  -0.955
  123    H    ARG  20           H        ARG  20   0.114  21.861  -2.836
  124    HA   ARG  20           HA       ARG  20   1.500  20.265  -4.979
  125   1HB   ARG  20          1HB       ARG  20   1.652  23.242  -4.438
  126   2HB   ARG  20          2HB       ARG  20   2.609  22.331  -5.579
  127   1HG   ARG  20          1HG       ARG  20  -0.412  22.762  -5.704
  128   2HG   ARG  20          2HG       ARG  20   0.808  23.571  -6.680
  129   1HD   ARG  20          1HD       ARG  20  -0.170  22.038  -8.121
  130   2HD   ARG  20          2HD       ARG  20   1.383  21.314  -7.686
  131    HE   ARG  20           HE       ARG  20   0.028  20.007  -5.953
  132   1HH1  ARG  20          2HH2      ARG  20  -1.658  20.964  -8.920
  133   2HH1  ARG  20          1HH2      ARG  20  -2.704  19.585  -8.880
  134   1HH2  ARG  20          2HH1      ARG  20  -1.276  18.362  -5.863
  135   2HH2  ARG  20          1HH1      ARG  20  -2.466  17.963  -7.014
  136    H    GLY  21           H        GLY  21   1.609  20.402  -1.978
  137   1HA   GLY  21          1HA       GLY  21   4.563  20.657  -1.495
  138   2HA   GLY  21          2HA       GLY  21   3.325  20.277  -0.241
  139    H    TRP  22           H        TRP  22   5.644  18.333  -0.870
  140    HA   TRP  22           HA       TRP  22   4.074  16.168  -2.046
  141   1HB   TRP  22          1HB       TRP  22   6.889  16.915  -2.897
  142   2HB   TRP  22          2HB       TRP  22   5.960  15.559  -3.471
  143    HD1  TRP  22           HD       TRP  22   7.155  18.568  -4.715
  144    HE1  TRP  22           1HE      TRP  22   5.720  19.715  -6.483
  145    HE3  TRP  22           3HE      TRP  22   2.736  16.101  -3.920
  146    HZ2  TRP  22           2HZ      TRP  22   3.042  19.457  -7.573
  147    HZ3  TRP  22           3HZ      TRP  22   0.820  16.451  -5.424
  148    HH2  TRP  22           HH       TRP  22   0.990  18.065  -7.314
  149    H    GLU  23           H        GLU  23   4.245  14.576  -0.897
  150    HA   GLU  23           HA       GLU  23   6.352  14.027   1.129
  151   1HB   GLU  23          1HB       GLU  23   4.403  14.953   2.174
  152   2HB   GLU  23          2HB       GLU  23   3.308  14.012   1.173
  153   1HG   GLU  23          1HG       GLU  23   3.166  13.102   3.284
  154   2HG   GLU  23          2HG       GLU  23   4.021  11.941   2.290
  155    HA   PRO  24           HA       PRO  24   6.298  10.279  -1.682
  156   1HB   PRO  24          1HB       PRO  24   8.373   8.948  -0.547
  157   2HB   PRO  24          2HB       PRO  24   8.610  10.367  -1.613
  158   1HG   PRO  24          1HG       PRO  24   8.618  10.296   1.418
  159   2HG   PRO  24          2HG       PRO  24   9.803  11.081   0.327
  160   1HD   PRO  24          1HD       PRO  24   7.782  12.461   1.502
  161   2HD   PRO  24          2HD       PRO  24   8.313  12.851  -0.159
  162    H    ARG  25           H        ARG  25   4.971   8.737  -1.509
  163    HA   ARG  25           HA       ARG  25   4.744   7.217   1.016
  164   1HB   ARG  25          1HB       ARG  25   2.444   8.395  -0.613
  165   2HB   ARG  25          2HB       ARG  25   2.204   7.041   0.492
  166   1HG   ARG  25          1HG       ARG  25   3.310   9.755   1.324
  167   2HG   ARG  25          2HG       ARG  25   1.647   9.217   1.533
  168   1HD   ARG  25          1HD       ARG  25   2.446   7.285   2.903
  169   2HD   ARG  25          2HD       ARG  25   4.098   7.875   2.785
  170    HE   ARG  25           HE       ARG  25   1.845   9.042   4.226
  171   1HH1  ARG  25          2HH2      ARG  25   5.255   9.429   3.145
  172   2HH1  ARG  25          1HH2      ARG  25   5.599  10.734   4.153
  173   1HH2  ARG  25          2HH1      ARG  25   2.332  11.000   5.489
  174   2HH2  ARG  25          1HH1      ARG  25   3.934  11.640   5.476
  175    H    TRP  26           H        TRP  26   3.348   5.234   0.505
  176    HA   TRP  26           HA       TRP  26   4.339   3.969  -1.979
  177   1HB   TRP  26          1HB       TRP  26   4.600   3.136   0.943
  178   2HB   TRP  26          2HB       TRP  26   4.629   1.948  -0.355
  179    HD1  TRP  26           HD       TRP  26   6.663   4.918   1.038
  180    HE1  TRP  26           1HE      TRP  26   9.012   4.876   0.025
  181    HE3  TRP  26           3HE      TRP  26   6.051   0.985  -2.097
  182    HZ2  TRP  26           2HZ      TRP  26  10.422   3.364  -2.065
  183    HZ3  TRP  26           3HZ      TRP  26   7.773   0.482  -3.846
  184    HH2  TRP  26           HH       TRP  26   9.984   1.511  -3.710
  185    H    ALA  27           H        ALA  27   2.769   2.600  -2.910
  186    HA   ALA  27           HA       ALA  27   0.299   2.064  -1.389
  187   1HB   ALA  27          1HB       ALA  27  -0.332   4.021  -2.673
  188   2HB   ALA  27          2HB       ALA  27   0.428   3.368  -4.152
  189   3HB   ALA  27          3HB       ALA  27  -1.021   2.609  -3.471
  190    H    TYR  28           H        TYR  28  -0.674   0.138  -2.040
  191    HA   TYR  28           HA       TYR  28   1.087  -1.710  -3.510
  192   1HB   TYR  28          1HB       TYR  28  -0.125  -2.453  -1.445
  193   2HB   TYR  28          2HB       TYR  28  -1.627  -2.158  -2.269
  194    HD1  TYR  28           1HD      TYR  28  -2.687  -3.958  -3.473
  195    HD2  TYR  28           2HD      TYR  28   1.529  -4.204  -2.589
  196    HE1  TYR  28           1HE      TYR  28  -2.640  -6.266  -4.307
  197    HE2  TYR  28           2HE      TYR  28   1.570  -6.500  -3.452
  198    HH   TYR  28           HH       TYR  28   0.169  -8.343  -3.932
  199    H    SER  29           H        SER  29   0.649  -2.666  -5.438
  200    HA   SER  29           HA       SER  29  -1.741  -1.787  -6.916
  201   1HB   SER  29          1HB       SER  29   1.148  -1.767  -7.719
  202   2HB   SER  29          2HB       SER  29  -0.086  -1.862  -8.956
  203    HG   SER  29           HG       SER  29  -0.728  -0.152  -6.922
  204    HA   PRO  30           HA       PRO  30  -1.904  -6.310  -6.684
  205   1HB   PRO  30          1HB       PRO  30  -4.415  -6.641  -7.794
  206   2HB   PRO  30          2HB       PRO  30  -4.127  -6.233  -6.079
  207   1HG   PRO  30          1HG       PRO  30  -4.819  -4.363  -8.352
  208   2HG   PRO  30          2HG       PRO  30  -5.494  -4.398  -6.694
  209   1HD   PRO  30          1HD       PRO  30  -3.560  -2.648  -7.422
  210   2HD   PRO  30          2HD       PRO  30  -3.575  -3.371  -5.787
  211    H    LEU  31           H        LEU  31  -2.715  -4.278  -9.502
  212    HA   LEU  31           HA       LEU  31  -2.280  -6.234 -11.521
  213   1HB   LEU  31          1HB       LEU  31  -2.290  -3.229 -11.466
  214   2HB   LEU  31          2HB       LEU  31  -1.834  -4.099 -12.927
  215    HG   LEU  31           HG       LEU  31  -4.432  -4.709 -11.462
  216   1HD1  LEU  31          1HD1      LEU  31  -3.946  -2.776 -13.752
  217   2HD1  LEU  31          2HD1      LEU  31  -5.534  -3.259 -13.101
  218   3HD1  LEU  31          3HD1      LEU  31  -4.407  -2.347 -12.082
  219   1HD2  LEU  31          1HD2      LEU  31  -5.130  -5.582 -13.689
  220   2HD2  LEU  31          2HD2      LEU  31  -3.515  -5.229 -14.337
  221   3HD2  LEU  31          3HD2      LEU  31  -3.731  -6.460 -13.077
  222    H    LEU  32           H        LEU  32  -0.018  -4.546  -9.489
  223    HA   LEU  32           HA       LEU  32   2.287  -5.333 -11.213
  224   1HB   LEU  32          1HB       LEU  32   1.810  -3.338  -9.014
  225   2HB   LEU  32          2HB       LEU  32   3.437  -3.839  -9.344
  226    HG   LEU  32           HG       LEU  32   1.644  -2.653 -11.501
  227   1HD1  LEU  32          1HD1      LEU  32   3.019  -0.586 -11.220
  228   2HD1  LEU  32          2HD1      LEU  32   2.018  -0.944  -9.816
  229   3HD1  LEU  32          3HD1      LEU  32   3.765  -1.304  -9.772
  230   1HD2  LEU  32          1HD2      LEU  32   4.660  -3.147 -11.396
  231   2HD2  LEU  32          2HD2      LEU  32   3.492  -4.006 -12.415
  232   3HD2  LEU  32          3HD2      LEU  32   3.801  -2.298 -12.703
  233    H    GLN  33           H        GLN  33   0.338  -6.429  -8.680
  234    HA   GLN  33           HA       GLN  33   0.343  -7.611  -6.977
  235   1HB   GLN  33          1HB       GLN  33   0.991  -9.112  -8.992
  236   2HB   GLN  33          2HB       GLN  33   2.614  -9.141  -8.267
  237   1HG   GLN  33          1HG       GLN  33   1.247  -9.706  -6.097
  238   2HG   GLN  33          2HG       GLN  33  -0.007 -10.199  -7.195
  239   1HE2  GLN  33          1HE2      GLN  33   1.170 -11.435  -9.288
  240   2HE2  GLN  33          2HE2      GLN  33   2.083 -12.840  -8.744
  241    H    GLN  34           H        GLN  34   1.899  -5.201  -6.688
  242    HA   GLN  34           HA       GLN  34   3.507  -5.807  -4.384
  243   1HB   GLN  34          1HB       GLN  34   5.027  -6.486  -6.425
  244   2HB   GLN  34          2HB       GLN  34   5.157  -4.744  -6.702
  245   1HG   GLN  34          1HG       GLN  34   6.211  -4.429  -4.521
  246   2HG   GLN  34          2HG       GLN  34   5.845  -6.097  -4.069
  247   1HE2  GLN  34          1HE2      GLN  34   7.740  -7.252  -4.028
  248   2HE2  GLN  34          2HE2      GLN  34   8.931  -7.246  -5.321
  249    H    CYS  35           H        CYS  35   4.664  -3.738  -3.662
  250    HA   CYS  35           HA       CYS  35   2.910  -1.427  -4.215
  251   1HB   CYS  35          1HB       CYS  35   5.042  -1.835  -2.087
  252   2HB   CYS  35          2HB       CYS  35   4.068  -0.380  -2.306
  253    H    HIS  36           H        HIS  36   3.563   0.532  -4.734
  254    HA   HIS  36           HA       HIS  36   6.379   0.922  -5.678
  255   1HB   HIS  36          1HB       HIS  36   5.582   2.185  -7.620
  256   2HB   HIS  36          2HB       HIS  36   4.975   0.540  -7.659
  257    HD1  HIS  36           1HD      HIS  36   3.689   4.131  -6.815
  258    HD2  HIS  36           2HD      HIS  36   2.315   0.219  -7.794
  259    HE1  HIS  36           1HE      HIS  36   1.137   4.271  -7.126
  260    HE2  HIS  36           2HE      HIS  36   0.362   1.836  -7.736
  261    HA   PRO  37           HA       PRO  37   5.894   4.670  -3.289
  262   1HB   PRO  37          1HB       PRO  37   7.667   6.392  -4.605
  263   2HB   PRO  37          2HB       PRO  37   8.086   5.227  -3.333
  264   1HG   PRO  37          1HG       PRO  37   8.685   5.093  -6.217
  265   2HG   PRO  37          2HG       PRO  37   9.338   4.097  -4.884
  266   1HD   PRO  37          1HD       PRO  37   7.265   3.437  -6.805
  267   2HD   PRO  37          2HD       PRO  37   8.012   2.390  -5.568
  268    H    PHE  38           H        PHE  38   5.247   7.121  -3.631
  269    HA   PHE  38           HA       PHE  38   4.482   7.888  -6.267
  270   1HB   PHE  38          1HB       PHE  38   2.146   8.035  -6.113
  271   2HB   PHE  38          2HB       PHE  38   2.544   6.379  -5.770
  272    HD1  PHE  38           1HD      PHE  38   0.768   9.289  -4.677
  273    HD2  PHE  38           2HD      PHE  38   2.479   5.581  -3.289
  274    HE1  PHE  38           1HE      PHE  38  -0.812   9.270  -2.782
  275    HE2  PHE  38           2HE      PHE  38   0.879   5.603  -1.363
  276    HZ   PHE  38           HZ       PHE  38  -0.746   7.423  -1.112
  277    H    VAL  39           H        VAL  39   3.312  10.107  -6.087
  278    HA   VAL  39           HA       VAL  39   4.679  11.622  -3.926
  279    HB   VAL  39           HB       VAL  39   3.663  12.357  -6.711
  280   1HG1  VAL  39          1HG1      VAL  39   3.069  14.193  -5.291
  281   2HG1  VAL  39          2HG1      VAL  39   4.632  14.142  -4.454
  282   3HG1  VAL  39          3HG1      VAL  39   4.539  14.664  -6.154
  283   1HG2  VAL  39          1HG2      VAL  39   5.914  11.308  -6.640
  284   2HG2  VAL  39          2HG2      VAL  39   6.018  13.017  -7.077
  285   3HG2  VAL  39          3HG2      VAL  39   6.434  12.503  -5.430
  286    H    TYR  40           H        TYR  40   3.334  11.973  -2.221
  287    HA   TYR  40           HA       TYR  40   0.405  12.204  -2.717
  288   1HB   TYR  40          1HB       TYR  40   0.817  10.336  -1.344
  289   2HB   TYR  40          2HB       TYR  40   2.132  11.092  -0.505
  290    HD1  TYR  40           1HD      TYR  40   1.854  11.933   1.576
  291    HD2  TYR  40           2HD      TYR  40  -1.611  11.498  -0.955
  292    HE1  TYR  40           1HE      TYR  40   0.411  12.462   3.491
  293    HE2  TYR  40           2HE      TYR  40  -3.071  12.070   0.964
  294    HH   TYR  40           HH       TYR  40  -2.366  13.422   3.579
  295    H    GLY  41           H        GLY  41  -0.544  14.126  -1.974
  296   1HA   GLY  41          1HA       GLY  41   1.279  16.324  -1.754
  297   2HA   GLY  41          2HA       GLY  41  -0.457  16.411  -1.868
  298    H    GLY  42           H        GLY  42   0.261  14.380   0.713
  299   1HA   GLY  42          1HA       GLY  42   0.430  14.633   3.003
  300   2HA   GLY  42          2HA       GLY  42   0.692  16.365   2.845
  301    H    CYS  43           H        CYS  43  -1.500  17.128   1.348
  302    HA   CYS  43           HA       CYS  43  -3.760  16.883   3.149
  303   1HB   CYS  43          1HB       CYS  43  -4.757  18.561   1.883
  304   2HB   CYS  43          2HB       CYS  43  -3.063  18.969   1.972
  305    H    GLU  44           H        GLU  44  -5.924  16.671   1.506
  306    HA   GLU  44           HA       GLU  44  -6.779  14.207   1.604
  307   1HB   GLU  44          1HB       GLU  44  -7.330  15.877  -0.853
  308   2HB   GLU  44          2HB       GLU  44  -8.301  14.559  -0.204
  309   1HG   GLU  44          1HG       GLU  44  -9.416  16.384   0.601
  310   2HG   GLU  44          2HG       GLU  44  -8.432  15.951   1.985
  311    H    GLY  45           H        GLY  45  -6.576  12.232   0.769
  312   1HA   GLY  45          1HA       GLY  45  -5.767  11.454  -1.816
  313   2HA   GLY  45          2HA       GLY  45  -4.458  11.225  -0.635
  314    H    ASN  46           H        ASN  46  -5.333   8.836  -1.460
  315    HA   ASN  46           HA       ASN  46  -7.746   8.101   0.106
  316   1HB   ASN  46          1HB       ASN  46  -6.271   6.241  -1.759
  317   2HB   ASN  46          2HB       ASN  46  -7.850   6.042  -1.063
  318   1HD2  ASN  46          1HD2      ASN  46  -7.815   5.691  -3.754
  319   2HD2  ASN  46          2HD2      ASN  46  -8.682   7.058  -4.432
  320    H    GLY  47           H        GLY  47  -7.534   5.694   0.814
  321   1HA   GLY  47          1HA       GLY  47  -5.878   5.856   3.212
  322   2HA   GLY  47          2HA       GLY  47  -7.043   4.585   2.825
  323    H    ASN  48           H        ASN  48  -5.367   4.460   0.107
  324    HA   ASN  48           HA       ASN  48  -3.544   2.327   0.959
  325   1HB   ASN  48          1HB       ASN  48  -4.946   2.331  -1.128
  326   2HB   ASN  48          2HB       ASN  48  -4.002   3.571  -1.788
  327   1HD2  ASN  48          1HD2      ASN  48  -4.105   1.270  -3.179
  328   2HD2  ASN  48          2HD2      ASN  48  -2.714   0.236  -3.076
  329    H    ASN  49           H        ASN  49  -2.486   3.870   2.445
  330    HA   ASN  49           HA       ASN  49  -0.363   5.514   1.118
  331   1HB   ASN  49          1HB       ASN  49  -2.435   6.756   1.975
  332   2HB   ASN  49          2HB       ASN  49  -2.025   6.214   3.589
  333   1HD2  ASN  49          1HD2      ASN  49  -1.775   8.717   1.436
  334   2HD2  ASN  49          2HD2      ASN  49  -0.495   9.628   2.168
  335    H    PHE  50           H        PHE  50   1.406   4.325   1.608
  336    HA   PHE  50           HA       PHE  50   1.821   3.359   4.393
  337   1HB   PHE  50          1HB       PHE  50   2.840   2.280   1.744
  338   2HB   PHE  50          2HB       PHE  50   3.446   1.724   3.211
  339    HD1  PHE  50           1HD      PHE  50   2.041   0.322   4.769
  340    HD2  PHE  50           2HD      PHE  50   0.425   1.788   1.033
  341    HE1  PHE  50           1HE      PHE  50   0.072  -1.152   5.019
  342    HE2  PHE  50           2HE      PHE  50  -1.511   0.284   1.295
  343    HZ   PHE  50           HZ       PHE  50  -1.718  -1.164   3.286
  344    H    HIS  51           H        HIS  51   3.893   3.636   5.259
  345    HA   HIS  51           HA       HIS  51   5.216   6.092   4.223
  346   1HB   HIS  51          1HB       HIS  51   5.317   4.592   6.871
  347   2HB   HIS  51          2HB       HIS  51   6.439   5.864   6.449
  348    HD1  HIS  51           1HD      HIS  51   5.648   8.297   7.016
  349    HD2  HIS  51           2HD      HIS  51   2.508   5.463   6.700
  350    HE1  HIS  51           1HE      HIS  51   3.496   9.487   7.750
  351    HE2  HIS  51           2HE      HIS  51   1.583   7.748   7.520
  352    H    SER  52           H        SER  52   5.666   2.698   3.886
  353    HA   SER  52           HA       SER  52   8.279   3.227   2.786
  354   1HB   SER  52          1HB       SER  52   9.324   1.325   4.232
  355   2HB   SER  52          2HB       SER  52   9.294   2.969   4.822
  356    HG   SER  52           HG       SER  52   7.232   1.109   5.511
  357    H    ARG  53           H        ARG  53   9.204   1.510   1.689
  358    HA   ARG  53           HA       ARG  53   7.533  -0.023   0.029
  359   1HB   ARG  53          1HB       ARG  53   9.736   0.662  -0.606
  360   2HB   ARG  53          2HB       ARG  53  10.462  -0.216   0.733
  361   1HG   ARG  53          1HG       ARG  53  10.736  -1.342  -1.358
  362   2HG   ARG  53          2HG       ARG  53   9.855  -2.351  -0.224
  363   1HD   ARG  53          1HD       ARG  53   7.737  -1.666  -1.527
  364   2HD   ARG  53          2HD       ARG  53   8.800  -0.906  -2.682
  365    HE   ARG  53           HE       ARG  53   9.197  -3.757  -1.925
  366   1HH1  ARG  53          2HH2      ARG  53   7.871  -1.910  -4.655
  367   2HH1  ARG  53          1HH2      ARG  53   8.582  -3.006  -5.783
  368   1HH2  ARG  53          2HH1      ARG  53   9.829  -5.097  -3.332
  369   2HH2  ARG  53          1HH1      ARG  53   9.679  -4.881  -5.056
  370    H    GLU  54           H        GLU  54   9.644  -1.238   2.743
  371    HA   GLU  54           HA       GLU  54   8.797  -3.867   2.386
  372   1HB   GLU  54          1HB       GLU  54  10.798  -2.893   3.661
  373   2HB   GLU  54          2HB       GLU  54   9.721  -2.798   5.043
  374   1HG   GLU  54          1HG       GLU  54  10.966  -4.922   4.935
  375   2HG   GLU  54          2HG       GLU  54   9.222  -5.197   4.933
  376    H    SER  55           H        SER  55   7.678  -1.506   4.802
  377    HA   SER  55           HA       SER  55   5.700  -3.065   6.042
  378   1HB   SER  55          1HB       SER  55   4.475  -0.808   6.361
  379   2HB   SER  55          2HB       SER  55   6.156  -0.864   6.927
  380    HG   SER  55           HG       SER  55   5.472   0.043   4.331
  381    H    CYS  56           H        CYS  56   5.562  -1.630   2.838
  382    HA   CYS  56           HA       CYS  56   2.653  -1.901   2.634
  383   1HB   CYS  56          1HB       CYS  56   4.249  -0.101   1.555
  384   2HB   CYS  56          2HB       CYS  56   4.756  -1.356   0.470
  385    H    GLU  57           H        GLU  57   5.593  -3.389   1.295
  386    HA   GLU  57           HA       GLU  57   4.196  -5.492  -0.109
  387   1HB   GLU  57          1HB       GLU  57   7.044  -5.303   0.976
  388   2HB   GLU  57          2HB       GLU  57   6.375  -6.770   0.260
  389   1HG   GLU  57          1HG       GLU  57   5.766  -5.326  -1.788
  390   2HG   GLU  57          2HG       GLU  57   6.924  -4.167  -1.130
  391    H    ASP  58           H        ASP  58   5.237  -5.212   3.367
  392    HA   ASP  58           HA       ASP  58   4.412  -7.973   3.753
  393   1HB   ASP  58          1HB       ASP  58   6.157  -6.784   5.164
  394   2HB   ASP  58          2HB       ASP  58   4.795  -6.017   6.010
  395    H    ALA  59           H        ALA  59   2.714  -4.781   3.873
  396    HA   ALA  59           HA       ALA  59   0.408  -5.882   5.203
  397   1HB   ALA  59          1HB       ALA  59   0.793  -3.471   5.068
  398   2HB   ALA  59          2HB       ALA  59   0.671  -3.511   3.295
  399   3HB   ALA  59          3HB       ALA  59  -0.747  -3.897   4.291
  400    H    CYS  60           H        CYS  60   1.012  -5.151   1.716
  401    HA   CYS  60           HA       CYS  60  -0.725  -7.435   0.978
  402   1HB   CYS  60          1HB       CYS  60  -0.776  -4.673  -0.159
  403   2HB   CYS  60          2HB       CYS  60  -1.221  -6.093  -1.111
  404    HA   PRO  61           HA       PRO  61   3.385  -8.059  -0.787
  405   1HB   PRO  61          1HB       PRO  61   3.581 -10.753  -0.366
  406   2HB   PRO  61          2HB       PRO  61   3.425  -9.675   1.025
  407   1HG   PRO  61          1HG       PRO  61   1.186 -11.171  -0.373
  408   2HG   PRO  61          2HG       PRO  61   1.609 -11.176   1.374
  409   1HD   PRO  61          1HD       PRO  61  -0.278  -9.499   0.311
  410   2HD   PRO  61          2HD       PRO  61   0.762  -9.028   1.692
  411    H    VAL  62           H        VAL  62   4.201  -9.899  -2.068
  412    HA   VAL  62           HA       VAL  62   2.999 -10.430  -4.732
  413    HB   VAL  62           HB       VAL  62   5.776 -11.175  -3.801
  414   1HG1  VAL  62          1HG1      VAL  62   6.382 -10.732  -6.151
  415   2HG1  VAL  62          2HG1      VAL  62   4.978 -11.807  -6.091
  416   3HG1  VAL  62          3HG1      VAL  62   4.754 -10.093  -6.463
  417   1HG2  VAL  62          1HG2      VAL  62   6.804  -9.100  -4.446
  418   2HG2  VAL  62          2HG2      VAL  62   5.216  -8.339  -4.684
  419   3HG2  VAL  62          3HG2      VAL  62   5.744  -8.843  -3.066
  420    H    VAL  63           H        VAL  63   4.441 -12.905  -4.740
  421    HA   VAL  63           HA       VAL  63   2.755 -14.696  -3.367
  422    HB   VAL  63           HB       VAL  63   5.626 -15.412  -3.201
  423   1HG1  VAL  63          1HG1      VAL  63   3.175 -17.004  -3.961
  424   2HG1  VAL  63          2HG1      VAL  63   4.818 -17.657  -3.779
  425   3HG1  VAL  63          3HG1      VAL  63   3.991 -16.981  -2.373
  426   1HG2  VAL  63          1HG2      VAL  63   4.075 -15.365  -5.845
  427   2HG2  VAL  63          2HG2      VAL  63   5.577 -14.483  -5.487
  428   3HG2  VAL  63          3HG2      VAL  63   5.605 -16.241  -5.607
  429    H    ASP  64           H        ASP  64   2.378 -14.866  -1.437
  430    HA   ASP  64           HA       ASP  64   2.581 -13.132   0.548
  431   1HB   ASP  64          1HB       ASP  64   0.988 -14.903   0.662
  432   2HB   ASP  64          2HB       ASP  64   2.251 -16.078   1.070
  433    H    HIS  65           H        HIS  65   4.035 -12.117   1.671
  434    HA   HIS  65           HA       HIS  65   6.669 -12.969   2.264
  435   1HB   HIS  65          1HB       HIS  65   4.819 -10.889   3.504
  436   2HB   HIS  65          2HB       HIS  65   6.367 -11.243   4.196
  437    HD1  HIS  65           1HD      HIS  65   6.361 -10.843   0.331
  438    HD2  HIS  65           2HD      HIS  65   7.176  -8.835   3.973
  439    HE1  HIS  65           1HE      HIS  65   7.818  -8.768  -0.236
  440    HE2  HIS  65           2HE      HIS  65   8.367  -7.628   2.043
  441    H    HIS  66           H        HIS  66   3.592 -13.492   3.983
  442    HA   HIS  66           HA       HIS  66   4.945 -14.284   6.440
  443   1HB   HIS  66          1HB       HIS  66   1.960 -14.495   5.939
  444   2HB   HIS  66          2HB       HIS  66   2.820 -14.263   7.457
  445    HD1  HIS  66           1HD      HIS  66   1.468 -12.431   4.410
  446    HD2  HIS  66           2HD      HIS  66   3.819 -11.579   7.831
  447    HE1  HIS  66           1HE      HIS  66   1.410  -9.882   4.761
  448    HE2  HIS  66           2HE      HIS  66   2.998  -9.396   6.735
  449    H    HIS  67           H        HIS  67   2.211 -16.185   5.241
  450    HA   HIS  67           HA       HIS  67   3.795 -18.658   5.693
  451   1HB   HIS  67          1HB       HIS  67   1.605 -19.850   5.451
  452   2HB   HIS  67          2HB       HIS  67   1.868 -18.928   6.914
  453    HD1  HIS  67           1HD      HIS  67   0.550 -16.938   3.916
  454    HD2  HIS  67           2HD      HIS  67  -0.773 -18.927   7.414
  455    HE1  HIS  67           1HE      HIS  67  -1.892 -16.243   4.273
  456    HE2  HIS  67           2HE      HIS  67  -2.693 -17.438   6.422
  457    H    HIS  68           H        HIS  68   5.047 -18.101   3.936
  458    HA   HIS  68           HA       HIS  68   4.743 -17.503   1.419
  459   1HB   HIS  68          1HB       HIS  68   6.383 -19.956   2.127
  460   2HB   HIS  68          2HB       HIS  68   6.665 -18.819   0.814
  461    HD1  HIS  68           1HD      HIS  68   7.701 -19.402   4.355
  462    HD2  HIS  68           2HD      HIS  68   7.024 -16.088   1.816
  463    HE1  HIS  68           1HE      HIS  68   8.578 -17.308   5.586
  464    HE2  HIS  68           2HE      HIS  68   8.037 -15.317   4.073
  465    H    HIS  69           H        HIS  69   2.975 -17.865   0.218
  466    HA   HIS  69           HA       HIS  69   1.657 -20.402  -0.089
  467   1HB   HIS  69          1HB       HIS  69   0.440 -18.375  -0.649
  468   2HB   HIS  69          2HB       HIS  69   1.711 -17.828  -1.736
  469    HD1  HIS  69           1HD      HIS  69  -1.237 -20.352  -1.724
  470    HD2  HIS  69           2HD      HIS  69   1.908 -18.959  -4.196
  471    HE1  HIS  69           1HE      HIS  69  -1.500 -21.475  -3.998
  472    HE2  HIS  69           2HE      HIS  69   0.430 -20.707  -5.426
  473    H    HIS  70           H        HIS  70   1.691 -21.842  -1.957
  474    HA   HIS  70           HA       HIS  70   3.869 -21.704  -3.839
  475   1HB   HIS  70          1HB       HIS  70   4.726 -23.319  -2.131
  476   2HB   HIS  70          2HB       HIS  70   3.175 -24.178  -2.176
  477    HD1  HIS  70           1HD      HIS  70   3.209 -23.757  -5.569
  478    HD2  HIS  70           2HD      HIS  70   5.845 -25.756  -2.932
  479    HE1  HIS  70           1HE      HIS  70   4.452 -25.550  -6.981
  480    HE2  HIS  70           2HE      HIS  70   6.058 -26.761  -5.352
  Start of MODEL   12
    1   1H    GLU   1          1H        GLU   1 -10.249 -12.538   3.951
    2   2H    GLU   1          2H        GLU   1  -8.707 -12.163   3.398
    3   3H    GLU   1          H         GLU   1 -10.035 -11.371   2.808
    4    HA   GLU   1           HA       GLU   1 -10.525 -10.469   4.930
    5   1HB   GLU   1          1HB       GLU   1  -8.555 -10.570   6.604
    6   2HB   GLU   1          2HB       GLU   1  -9.773 -11.818   6.564
    7   1HG   GLU   1          1HG       GLU   1  -7.359 -12.552   6.891
    8   2HG   GLU   1          2HG       GLU   1  -8.355 -13.439   5.751
    9    H    ALA   2           H        ALA   2 -10.032  -8.434   5.315
   10    HA   ALA   2           HA       ALA   2  -7.793  -6.923   5.227
   11   1HB   ALA   2          1HB       ALA   2  -9.307  -7.007   2.599
   12   2HB   ALA   2          2HB       ALA   2  -8.343  -5.595   3.116
   13   3HB   ALA   2          3HB       ALA   2  -7.567  -7.152   2.847
   14    H    GLU   3           H        GLU   3  -9.750  -4.634   4.193
   15    HA   GLU   3           HA       GLU   3 -11.200  -4.185   6.565
   16   1HB   GLU   3          1HB       GLU   3 -11.954  -3.274   3.744
   17   2HB   GLU   3          2HB       GLU   3 -12.600  -2.644   5.255
   18   1HG   GLU   3          1HG       GLU   3 -11.047  -1.044   4.865
   19   2HG   GLU   3          2HG       GLU   3 -10.056  -2.140   5.823
   20    H    ALA   4           H        ALA   4 -12.095  -5.960   3.662
   21    HA   ALA   4           HA       ALA   4 -14.472  -7.100   5.060
   22   1HB   ALA   4          1HB       ALA   4 -15.579  -7.364   2.890
   23   2HB   ALA   4          2HB       ALA   4 -15.174  -5.655   3.126
   24   3HB   ALA   4          3HB       ALA   4 -14.177  -6.667   2.053
   25    H    GLU   5           H        GLU   5 -14.882  -9.444   3.922
   26    HA   GLU   5           HA       GLU   5 -12.332 -10.770   4.096
   27   1HB   GLU   5          1HB       GLU   5 -15.055 -11.821   3.345
   28   2HB   GLU   5          2HB       GLU   5 -13.600 -12.806   3.157
   29   1HG   GLU   5          1HG       GLU   5 -14.627 -11.577   5.741
   30   2HG   GLU   5          2HG       GLU   5 -14.604 -13.288   5.321
   31    H    PHE   6           H        PHE   6 -14.056  -9.300   1.392
   32    HA   PHE   6           HA       PHE   6 -11.544  -9.614  -0.074
   33   1HB   PHE   6          1HB       PHE   6 -12.888 -11.591  -0.779
   34   2HB   PHE   6          2HB       PHE   6 -14.155 -10.512  -1.350
   35    HD1  PHE   6           1HD      PHE   6 -10.622 -11.592  -1.836
   36    HD2  PHE   6           2HD      PHE   6 -13.893  -9.299  -3.466
   37    HE1  PHE   6           1HE      PHE   6  -9.382 -11.336  -3.971
   38    HE2  PHE   6           2HE      PHE   6 -12.652  -9.048  -5.596
   39    HZ   PHE   6           HZ       PHE   6 -10.392 -10.062  -5.854
   40    H    THR   7           H        THR   7 -11.330  -7.488   0.345
   41    HA   THR   7           HA       THR   7 -11.686  -5.696  -1.646
   42    HB   THR   7           HB       THR   7 -13.537  -5.041   0.694
   43    HG1  THR   7           1HG      THR   7 -14.311  -6.170  -1.252
   44   1HG2  THR   7          1HG2      THR   7 -12.093  -3.094   0.277
   45   2HG2  THR   7          2HG2      THR   7 -12.275  -3.270  -1.471
   46   3HG2  THR   7          3HG2      THR   7 -13.656  -2.768  -0.466
   47    H    ASP   8           H        ASP   8  -9.775  -4.523  -1.319
   48    HA   ASP   8           HA       ASP   8  -8.902  -3.969   1.416
   49   1HB   ASP   8          1HB       ASP   8  -7.740  -6.047   0.494
   50   2HB   ASP   8          2HB       ASP   8  -7.102  -5.048  -0.801
   51    H    ALA   9           H        ALA   9  -8.394  -1.797   1.440
   52    HA   ALA   9           HA       ALA   9  -8.773   0.071  -0.565
   53   1HB   ALA   9          1HB       ALA   9  -8.227   0.670   1.781
   54   2HB   ALA   9          2HB       ALA   9  -6.573   0.051   1.565
   55   3HB   ALA   9          3HB       ALA   9  -7.108   1.476   0.657
   56    H    CYS  10           H        CYS  10  -6.121  -2.167  -0.236
   57    HA   CYS  10           HA       CYS  10  -4.175  -0.665  -1.734
   58   1HB   CYS  10          1HB       CYS  10  -2.749  -2.388  -1.320
   59   2HB   CYS  10          2HB       CYS  10  -3.901  -2.558  -0.037
   60    H    VAL  11           H        VAL  11  -6.889  -2.458  -2.803
   61    HA   VAL  11           HA       VAL  11  -5.890  -2.939  -5.529
   62    HB   VAL  11           HB       VAL  11  -8.686  -3.119  -4.309
   63   1HG1  VAL  11          1HG1      VAL  11  -7.669  -4.243  -6.956
   64   2HG1  VAL  11          2HG1      VAL  11  -9.259  -4.558  -6.230
   65   3HG1  VAL  11          3HG1      VAL  11  -8.843  -2.927  -6.756
   66   1HG2  VAL  11          1HG2      VAL  11  -6.603  -5.294  -4.830
   67   2HG2  VAL  11          2HG2      VAL  11  -7.164  -4.733  -3.241
   68   3HG2  VAL  11          3HG2      VAL  11  -8.279  -5.581  -4.305
   69    H    LEU  12           H        LEU  12  -7.339  -0.377  -3.729
   70    HA   LEU  12           HA       LEU  12  -8.494   1.089  -5.911
   71   1HB   LEU  12          1HB       LEU  12  -9.734   1.447  -4.265
   72   2HB   LEU  12          2HB       LEU  12  -8.584   1.196  -2.980
   73    HG   LEU  12           HG       LEU  12  -7.833   3.595  -3.483
   74   1HD1  LEU  12          1HD1      LEU  12  -8.767   4.344  -5.508
   75   2HD1  LEU  12          2HD1      LEU  12 -10.295   3.439  -5.277
   76   3HD1  LEU  12          3HD1      LEU  12  -9.978   4.931  -4.385
   77   1HD2  LEU  12          1HD2      LEU  12 -10.627   2.919  -2.460
   78   2HD2  LEU  12          2HD2      LEU  12  -9.115   2.902  -1.541
   79   3HD2  LEU  12          3HD2      LEU  12  -9.779   4.440  -2.122
   80    HA   PRO  13           HA       PRO  13  -4.722   3.133  -7.101
   81   1HB   PRO  13          1HB       PRO  13  -6.689   5.348  -7.692
   82   2HB   PRO  13          2HB       PRO  13  -5.342   4.758  -8.708
   83   1HG   PRO  13          1HG       PRO  13  -7.906   3.993  -9.229
   84   2HG   PRO  13          2HG       PRO  13  -6.556   2.819  -9.355
   85   1HD   PRO  13          1HD       PRO  13  -8.605   3.069  -7.154
   86   2HD   PRO  13          2HD       PRO  13  -7.815   1.632  -7.802
   87    H    ALA  14           H        ALA  14  -3.501   5.042  -6.571
   88    HA   ALA  14           HA       ALA  14  -3.892   5.984  -3.815
   89   1HB   ALA  14          1HB       ALA  14  -1.680   6.982  -4.143
   90   2HB   ALA  14          2HB       ALA  14  -1.651   5.286  -4.633
   91   3HB   ALA  14          3HB       ALA  14  -1.701   6.572  -5.867
   92    H    VAL  15           H        VAL  15  -3.597   8.383  -3.409
   93    HA   VAL  15           HA       VAL  15  -4.462  10.210  -5.533
   94    HB   VAL  15           HB       VAL  15  -5.865   9.744  -2.889
   95   1HG1  VAL  15          1HG1      VAL  15  -7.222  11.771  -3.265
   96   2HG1  VAL  15          2HG1      VAL  15  -5.550  12.137  -2.903
   97   3HG1  VAL  15          3HG1      VAL  15  -6.138  12.247  -4.590
   98   1HG2  VAL  15          1HG2      VAL  15  -6.753   8.522  -4.864
   99   2HG2  VAL  15          2HG2      VAL  15  -7.910   9.715  -4.266
  100   3HG2  VAL  15          3HG2      VAL  15  -6.950  10.058  -5.725
  101    H    GLN  16           H        GLN  16  -3.755  12.339  -5.019
  102    HA   GLN  16           HA       GLN  16  -1.295  12.367  -3.326
  103   1HB   GLN  16          1HB       GLN  16  -2.187  14.528  -5.272
  104   2HB   GLN  16          2HB       GLN  16  -0.596  14.267  -4.576
  105   1HG   GLN  16          1HG       GLN  16  -0.470  12.141  -5.994
  106   2HG   GLN  16          2HG       GLN  16  -1.942  12.707  -6.802
  107   1HE2  GLN  16          1HE2      GLN  16   1.464  13.075  -6.577
  108   2HE2  GLN  16          2HE2      GLN  16   1.649  14.518  -7.566
  109    H    GLY  17           H        GLY  17  -4.448  13.860  -3.670
  110   1HA   GLY  17          1HA       GLY  17  -5.607  15.214  -2.242
  111   2HA   GLY  17          2HA       GLY  17  -4.151  15.562  -1.302
  112    HA   PRO  18           HA       PRO  18  -5.258  18.883  -4.505
  113   1HB   PRO  18          1HB       PRO  18  -5.864  20.992  -2.816
  114   2HB   PRO  18          2HB       PRO  18  -7.045  19.786  -3.405
  115   1HG   PRO  18          1HG       PRO  18  -5.588  19.831  -0.753
  116   2HG   PRO  18          2HG       PRO  18  -7.321  19.505  -1.066
  117   1HD   PRO  18          1HD       PRO  18  -5.514  17.503  -0.677
  118   2HD   PRO  18          2HD       PRO  18  -6.845  17.291  -1.817
  119    H    CYS  19           H        CYS  19  -3.185  18.912  -1.644
  120    HA   CYS  19           HA       CYS  19  -1.677  21.246  -2.237
  121   1HB   CYS  19          1HB       CYS  19  -0.461  18.847  -0.892
  122   2HB   CYS  19          2HB       CYS  19  -0.207  20.525  -0.526
  123    H    ARG  20           H        ARG  20   0.479  21.301  -2.926
  124    HA   ARG  20           HA       ARG  20   1.373  19.224  -4.867
  125   1HB   ARG  20          1HB       ARG  20   1.393  22.199  -5.182
  126   2HB   ARG  20          2HB       ARG  20   2.620  21.227  -5.939
  127   1HG   ARG  20          1HG       ARG  20   0.886  21.782  -7.498
  128   2HG   ARG  20          2HG       ARG  20   1.015  20.056  -7.302
  129   1HD   ARG  20          1HD       ARG  20  -1.174  21.652  -5.928
  130   2HD   ARG  20          2HD       ARG  20  -1.306  21.177  -7.618
  131    HE   ARG  20           HE       ARG  20  -1.808  19.589  -5.339
  132   1HH1  ARG  20          2HH2      ARG  20  -0.693  19.169  -8.679
  133   2HH1  ARG  20          1HH2      ARG  20  -0.985  17.448  -8.664
  134   1HH2  ARG  20          2HH1      ARG  20  -2.163  17.331  -5.354
  135   2HH2  ARG  20          1HH1      ARG  20  -1.708  16.401  -6.752
  136    H    GLY  21           H        GLY  21   2.001  20.053  -1.958
  137   1HA   GLY  21          1HA       GLY  21   4.954  20.334  -1.960
  138   2HA   GLY  21          2HA       GLY  21   3.937  19.883  -0.547
  139    H    TRP  22           H        TRP  22   6.344  18.167  -1.368
  140    HA   TRP  22           HA       TRP  22   4.862  15.827  -2.388
  141   1HB   TRP  22          1HB       TRP  22   7.500  16.890  -3.379
  142   2HB   TRP  22          2HB       TRP  22   6.861  15.315  -3.756
  143    HD1  TRP  22           HD       TRP  22   7.586  17.839  -5.693
  144    HE1  TRP  22           1HE      TRP  22   5.925  18.536  -7.498
  145    HE3  TRP  22           3HE      TRP  22   3.315  15.677  -3.800
  146    HZ2  TRP  22           2HZ      TRP  22   3.137  18.131  -8.108
  147    HZ3  TRP  22           3HZ      TRP  22   1.192  15.915  -4.956
  148    HH2  TRP  22           HH       TRP  22   1.074  17.082  -7.155
  149    H    GLU  23           H        GLU  23   4.834  14.502  -0.814
  150    HA   GLU  23           HA       GLU  23   7.279  13.673   0.610
  151   1HB   GLU  23          1HB       GLU  23   5.453  14.270   2.128
  152   2HB   GLU  23          2HB       GLU  23   4.307  13.283   1.207
  153   1HG   GLU  23          1HG       GLU  23   5.669  11.249   1.737
  154   2HG   GLU  23          2HG       GLU  23   6.782  12.283   2.628
  155    HA   PRO  24           HA       PRO  24   6.737  10.187  -2.386
  156   1HB   PRO  24          1HB       PRO  24   8.799   8.615  -1.573
  157   2HB   PRO  24          2HB       PRO  24   9.055  10.115  -2.518
  158   1HG   PRO  24          1HG       PRO  24   9.332   9.723   0.475
  159   2HG   PRO  24          2HG       PRO  24  10.436  10.581  -0.641
  160   1HD   PRO  24          1HD       PRO  24   8.551  11.856   0.902
  161   2HD   PRO  24          2HD       PRO  24   9.051  12.475  -0.702
  162    H    ARG  25           H        ARG  25   5.032   8.996  -1.990
  163    HA   ARG  25           HA       ARG  25   4.849   7.433   0.553
  164   1HB   ARG  25          1HB       ARG  25   2.649   8.653  -1.154
  165   2HB   ARG  25          2HB       ARG  25   2.330   7.352  -0.012
  166   1HG   ARG  25          1HG       ARG  25   3.528  10.036   0.769
  167   2HG   ARG  25          2HG       ARG  25   1.817   9.590   0.873
  168   1HD   ARG  25          1HD       ARG  25   2.379   7.753   2.455
  169   2HD   ARG  25          2HD       ARG  25   4.074   8.248   2.381
  170    HE   ARG  25           HE       ARG  25   3.673  10.126   3.609
  171   1HH1  ARG  25          2HH2      ARG  25   0.548   8.580   3.031
  172   2HH1  ARG  25          1HH2      ARG  25  -0.325   9.614   4.113
  173   1HH2  ARG  25          2HH1      ARG  25   2.544  11.594   4.712
  174   2HH2  ARG  25          1HH1      ARG  25   0.880  11.388   5.179
  175    H    TRP  26           H        TRP  26   3.322   5.470   0.002
  176    HA   TRP  26           HA       TRP  26   4.348   4.117  -2.437
  177   1HB   TRP  26          1HB       TRP  26   4.497   3.335   0.499
  178   2HB   TRP  26          2HB       TRP  26   4.568   2.138  -0.789
  179    HD1  TRP  26           HD       TRP  26   6.547   5.224   0.493
  180    HE1  TRP  26           1HE      TRP  26   8.942   5.067  -0.329
  181    HE3  TRP  26           3HE      TRP  26   6.127   0.939  -2.193
  182    HZ2  TRP  26           2HZ      TRP  26  10.492   3.316  -2.132
  183    HZ3  TRP  26           3HZ      TRP  26   7.940   0.287  -3.802
  184    HH2  TRP  26           HH       TRP  26  10.148   1.307  -3.614
  185    H    ALA  27           H        ALA  27   2.887   2.599  -3.329
  186    HA   ALA  27           HA       ALA  27   0.382   2.063  -1.916
  187   1HB   ALA  27          1HB       ALA  27   0.452   3.382  -4.672
  188   2HB   ALA  27          2HB       ALA  27  -0.964   2.597  -3.966
  189   3HB   ALA  27          3HB       ALA  27  -0.293   4.021  -3.173
  190    H    TYR  28           H        TYR  28  -0.603   0.198  -2.661
  191    HA   TYR  28           HA       TYR  28   1.177  -1.744  -3.947
  192   1HB   TYR  28          1HB       TYR  28  -0.325  -2.220  -1.939
  193   2HB   TYR  28          2HB       TYR  28  -1.680  -2.055  -3.040
  194    HD1  TYR  28           1HD      TYR  28  -2.510  -3.967  -4.172
  195    HD2  TYR  28           2HD      TYR  28   1.514  -4.039  -2.610
  196    HE1  TYR  28           1HE      TYR  28  -2.335  -6.393  -4.660
  197    HE2  TYR  28           2HE      TYR  28   1.697  -6.409  -3.122
  198    HH   TYR  28           HH       TYR  28   0.405  -8.326  -3.521
  199    H    SER  29           H        SER  29   0.785  -2.772  -5.850
  200    HA   SER  29           HA       SER  29  -1.487  -1.883  -7.527
  201   1HB   SER  29          1HB       SER  29   1.453  -2.120  -8.126
  202   2HB   SER  29          2HB       SER  29   0.316  -2.174  -9.443
  203    HG   SER  29           HG       SER  29  -0.264  -0.339  -7.482
  204    HA   PRO  30           HA       PRO  30  -1.831  -6.380  -6.967
  205   1HB   PRO  30          1HB       PRO  30  -4.332  -6.698  -8.085
  206   2HB   PRO  30          2HB       PRO  30  -4.054  -6.188  -6.390
  207   1HG   PRO  30          1HG       PRO  30  -4.669  -4.463  -8.798
  208   2HG   PRO  30          2HG       PRO  30  -5.350  -4.366  -7.146
  209   1HD   PRO  30          1HD       PRO  30  -3.351  -2.727  -7.995
  210   2HD   PRO  30          2HD       PRO  30  -3.420  -3.309  -6.307
  211    H    LEU  31           H        LEU  31  -2.502  -4.465  -9.865
  212    HA   LEU  31           HA       LEU  31  -2.106  -6.495 -11.822
  213   1HB   LEU  31          1HB       LEU  31  -1.976  -3.493 -11.845
  214   2HB   LEU  31          2HB       LEU  31  -1.519  -4.421 -13.269
  215    HG   LEU  31           HG       LEU  31  -4.184  -4.869 -11.868
  216   1HD1  LEU  31          1HD1      LEU  31  -3.544  -3.031 -14.197
  217   2HD1  LEU  31          2HD1      LEU  31  -5.172  -3.420 -13.579
  218   3HD1  LEU  31          3HD1      LEU  31  -4.028  -2.531 -12.554
  219   1HD2  LEU  31          1HD2      LEU  31  -3.524  -6.699 -13.408
  220   2HD2  LEU  31          2HD2      LEU  31  -4.861  -5.776 -14.087
  221   3HD2  LEU  31          3HD2      LEU  31  -3.213  -5.521 -14.696
  222    H    LEU  32           H        LEU  32   0.184  -4.987  -9.688
  223    HA   LEU  32           HA       LEU  32   2.458  -6.016 -11.314
  224   1HB   LEU  32          1HB       LEU  32   2.096  -3.786  -9.324
  225   2HB   LEU  32          2HB       LEU  32   3.684  -4.432  -9.582
  226    HG   LEU  32           HG       LEU  32   1.993  -3.336 -11.862
  227   1HD1  LEU  32          1HD1      LEU  32   2.482  -1.518 -10.298
  228   2HD1  LEU  32          2HD1      LEU  32   4.204  -1.975 -10.259
  229   3HD1  LEU  32          3HD1      LEU  32   3.471  -1.336 -11.748
  230   1HD2  LEU  32          1HD2      LEU  32   4.178  -3.232 -13.063
  231   2HD2  LEU  32          2HD2      LEU  32   4.966  -4.022 -11.677
  232   3HD2  LEU  32          3HD2      LEU  32   3.744  -4.882 -12.634
  233    H    GLN  33           H        GLN  33   0.393  -6.721  -8.778
  234    HA   GLN  33           HA       GLN  33   0.363  -7.770  -6.870
  235   1HB   GLN  33          1HB       GLN  33   0.859  -9.527  -8.677
  236   2HB   GLN  33          2HB       GLN  33   2.513  -9.555  -8.070
  237   1HG   GLN  33          1HG       GLN  33   0.735  -9.754  -5.818
  238   2HG   GLN  33          2HG       GLN  33   0.102 -10.836  -7.047
  239   1HE2  GLN  33          1HE2      GLN  33   3.310  -9.964  -5.638
  240   2HE2  GLN  33          2HE2      GLN  33   3.903 -11.646  -5.624
  241    H    GLN  34           H        GLN  34   1.917  -5.420  -6.731
  242    HA   GLN  34           HA       GLN  34   3.748  -6.012  -4.522
  243   1HB   GLN  34          1HB       GLN  34   4.908  -6.571  -6.863
  244   2HB   GLN  34          2HB       GLN  34   4.972  -4.805  -7.006
  245   1HG   GLN  34          1HG       GLN  34   6.387  -4.629  -5.066
  246   2HG   GLN  34          2HG       GLN  34   6.252  -6.369  -4.762
  247   1HE2  GLN  34          1HE2      GLN  34   6.611  -7.473  -7.334
  248   2HE2  GLN  34          2HE2      GLN  34   8.216  -7.049  -7.900
  249    H    CYS  35           H        CYS  35   4.859  -3.956  -3.866
  250    HA   CYS  35           HA       CYS  35   3.127  -1.579  -4.382
  251   1HB   CYS  35          1HB       CYS  35   5.169  -2.182  -2.251
  252   2HB   CYS  35          2HB       CYS  35   4.500  -0.578  -2.506
  253    H    HIS  36           H        HIS  36   3.870   0.386  -4.833
  254    HA   HIS  36           HA       HIS  36   6.672   0.715  -5.745
  255   1HB   HIS  36          1HB       HIS  36   6.006   1.806  -7.827
  256   2HB   HIS  36          2HB       HIS  36   5.393   0.163  -7.775
  257    HD1  HIS  36           1HD      HIS  36   4.050   3.775  -7.108
  258    HD2  HIS  36           2HD      HIS  36   2.752  -0.118  -8.289
  259    HE1  HIS  36           1HE      HIS  36   1.538   3.924  -7.636
  260    HE2  HIS  36           2HE      HIS  36   0.831   1.507  -8.385
  261    HA   PRO  37           HA       PRO  37   6.046   4.591  -3.633
  262   1HB   PRO  37          1HB       PRO  37   7.901   6.222  -4.985
  263   2HB   PRO  37          2HB       PRO  37   8.234   5.170  -3.592
  264   1HG   PRO  37          1HG       PRO  37   9.065   4.798  -6.376
  265   2HG   PRO  37          2HG       PRO  37   9.539   3.868  -4.921
  266   1HD   PRO  37          1HD       PRO  37   7.612   3.168  -6.982
  267   2HD   PRO  37          2HD       PRO  37   8.259   2.168  -5.655
  268    H    PHE  38           H        PHE  38   5.455   7.009  -4.128
  269    HA   PHE  38           HA       PHE  38   4.817   7.808  -6.753
  270   1HB   PHE  38          1HB       PHE  38   2.495   7.918  -6.758
  271   2HB   PHE  38          2HB       PHE  38   2.815   6.280  -6.258
  272    HD1  PHE  38           1HD      PHE  38   1.155   9.393  -5.468
  273    HD2  PHE  38           2HD      PHE  38   2.552   5.684  -3.747
  274    HE1  PHE  38           1HE      PHE  38  -0.363   9.705  -3.560
  275    HE2  PHE  38           2HE      PHE  38   0.982   6.016  -1.834
  276    HZ   PHE  38           HZ       PHE  38  -0.438   8.031  -1.720
  277    H    VAL  39           H        VAL  39   3.489  10.122  -6.353
  278    HA   VAL  39           HA       VAL  39   4.967  11.374  -4.111
  279    HB   VAL  39           HB       VAL  39   4.125  12.651  -6.721
  280   1HG1  VAL  39          1HG1      VAL  39   4.794  14.038  -4.692
  281   2HG1  VAL  39          2HG1      VAL  39   6.384  13.273  -4.751
  282   3HG1  VAL  39          3HG1      VAL  39   5.837  14.297  -6.102
  283   1HG2  VAL  39          1HG2      VAL  39   5.629  10.882  -7.464
  284   2HG2  VAL  39          2HG2      VAL  39   6.508  12.409  -7.485
  285   3HG2  VAL  39          3HG2      VAL  39   6.783  11.260  -6.160
  286    H    TYR  40           H        TYR  40   3.731  12.357  -2.613
  287    HA   TYR  40           HA       TYR  40   0.850  12.880  -3.052
  288   1HB   TYR  40          1HB       TYR  40   0.933  10.790  -2.005
  289   2HB   TYR  40          2HB       TYR  40   2.394  11.158  -1.127
  290    HD1  TYR  40           1HD      TYR  40   2.438  12.313   0.896
  291    HD2  TYR  40           2HD      TYR  40  -1.342  11.491  -1.022
  292    HE1  TYR  40           1HE      TYR  40   1.329  12.589   3.023
  293    HE2  TYR  40           2HE      TYR  40  -2.493  11.812   1.152
  294    HH   TYR  40           HH       TYR  40  -1.834  12.928   3.593
  295    H    GLY  41           H        GLY  41  -0.017  14.492  -1.410
  296   1HA   GLY  41          1HA       GLY  41   2.135  16.401  -0.699
  297   2HA   GLY  41          2HA       GLY  41   0.570  16.841  -1.325
  298    H    GLY  42           H        GLY  42   0.633  14.384   1.206
  299   1HA   GLY  42          1HA       GLY  42   0.636  14.564   3.528
  300   2HA   GLY  42          2HA       GLY  42   0.693  16.330   3.423
  301    H    CYS  43           H        CYS  43  -1.509  16.837   1.862
  302    HA   CYS  43           HA       CYS  43  -3.779  16.481   3.598
  303   1HB   CYS  43          1HB       CYS  43  -4.942  17.583   1.575
  304   2HB   CYS  43          2HB       CYS  43  -3.727  18.477   2.454
  305    H    GLU  44           H        GLU  44  -5.863  15.930   2.133
  306    HA   GLU  44           HA       GLU  44  -6.624  13.488   2.446
  307   1HB   GLU  44          1HB       GLU  44  -7.290  15.029  -0.076
  308   2HB   GLU  44          2HB       GLU  44  -8.203  13.687   0.593
  309   1HG   GLU  44          1HG       GLU  44  -9.381  15.483   1.403
  310   2HG   GLU  44          2HG       GLU  44  -8.362  15.094   2.777
  311    H    GLY  45           H        GLY  45  -6.421  11.399   1.733
  312   1HA   GLY  45          1HA       GLY  45  -5.642  10.732  -0.931
  313   2HA   GLY  45          2HA       GLY  45  -4.418  10.291   0.263
  314    H    ASN  46           H        ASN  46  -5.516   8.126  -0.902
  315    HA   ASN  46           HA       ASN  46  -7.918   7.303   0.637
  316   1HB   ASN  46          1HB       ASN  46  -6.483   5.658  -1.470
  317   2HB   ASN  46          2HB       ASN  46  -8.088   5.414  -0.817
  318   1HD2  ASN  46          1HD2      ASN  46  -7.491   5.654  -3.720
  319   2HD2  ASN  46          2HD2      ASN  46  -8.404   7.083  -4.164
  320    H    GLY  47           H        GLY  47  -7.651   4.713   1.021
  321   1HA   GLY  47          1HA       GLY  47  -5.848   4.504   3.278
  322   2HA   GLY  47          2HA       GLY  47  -6.880   3.219   2.637
  323    H    ASN  48           H        ASN  48  -5.575   3.657  -0.121
  324    HA   ASN  48           HA       ASN  48  -3.289   1.869   0.243
  325   1HB   ASN  48          1HB       ASN  48  -4.923   1.700  -1.620
  326   2HB   ASN  48          2HB       ASN  48  -4.340   3.189  -2.305
  327   1HD2  ASN  48          1HD2      ASN  48  -4.126   1.345  -4.003
  328   2HD2  ASN  48          2HD2      ASN  48  -2.658   0.363  -4.057
  329    H    ASN  49           H        ASN  49  -2.309   3.550   1.696
  330    HA   ASN  49           HA       ASN  49  -0.495   5.339   0.196
  331   1HB   ASN  49          1HB       ASN  49  -2.652   6.552   0.620
  332   2HB   ASN  49          2HB       ASN  49  -2.450   6.275   2.355
  333   1HD2  ASN  49          1HD2      ASN  49  -2.789   8.786   1.568
  334   2HD2  ASN  49          2HD2      ASN  49  -1.303   9.718   1.469
  335    H    PHE  50           H        PHE  50   1.344   4.561   0.988
  336    HA   PHE  50           HA       PHE  50   1.659   3.935   3.888
  337   1HB   PHE  50          1HB       PHE  50   2.690   2.604   1.358
  338   2HB   PHE  50          2HB       PHE  50   3.233   2.093   2.889
  339    HD1  PHE  50           1HD      PHE  50   0.718   1.707   0.366
  340    HD2  PHE  50           2HD      PHE  50   1.183   1.514   4.652
  341    HE1  PHE  50           1HE      PHE  50  -1.445   0.535   0.552
  342    HE2  PHE  50           2HE      PHE  50  -1.040   0.437   4.824
  343    HZ   PHE  50           HZ       PHE  50  -2.389  -0.008   2.774
  344    H    HIS  51           H        HIS  51   3.932   4.168   4.673
  345    HA   HIS  51           HA       HIS  51   5.101   6.658   3.465
  346   1HB   HIS  51          1HB       HIS  51   5.452   5.295   6.165
  347   2HB   HIS  51          2HB       HIS  51   6.525   6.550   5.601
  348    HD1  HIS  51           1HD      HIS  51   5.318   9.152   5.171
  349    HD2  HIS  51           2HD      HIS  51   3.266   6.128   7.384
  350    HE1  HIS  51           1HE      HIS  51   3.683  10.324   6.602
  351    HE2  HIS  51           2HE      HIS  51   2.348   8.525   7.934
  352    H    SER  52           H        SER  52   5.601   3.244   3.303
  353    HA   SER  52           HA       SER  52   8.305   3.684   2.278
  354   1HB   SER  52          1HB       SER  52   9.156   1.900   3.946
  355   2HB   SER  52          2HB       SER  52   8.898   3.523   4.575
  356    HG   SER  52           HG       SER  52   8.003   1.791   5.923
  357    H    ARG  53           H        ARG  53   9.209   1.680   1.554
  358    HA   ARG  53           HA       ARG  53   7.415   0.050  -0.037
  359   1HB   ARG  53          1HB       ARG  53   9.755   0.438  -0.659
  360   2HB   ARG  53          2HB       ARG  53  10.299  -0.365   0.814
  361   1HG   ARG  53          1HG       ARG  53  10.487  -1.809  -1.058
  362   2HG   ARG  53          2HG       ARG  53   9.330  -2.484   0.075
  363   1HD   ARG  53          1HD       ARG  53   7.507  -1.606  -1.502
  364   2HD   ARG  53          2HD       ARG  53   8.765  -1.151  -2.609
  365    HE   ARG  53           HE       ARG  53   8.484  -3.942  -1.582
  366   1HH1  ARG  53          2HH2      ARG  53   8.136  -2.140  -4.601
  367   2HH1  ARG  53          1HH2      ARG  53   8.776  -3.454  -5.518
  368   1HH2  ARG  53          2HH1      ARG  53   8.618  -5.625  -2.880
  369   2HH2  ARG  53          1HH1      ARG  53   9.061  -5.457  -4.567
  370    H    GLU  54           H        GLU  54   9.163  -0.420   2.995
  371    HA   GLU  54           HA       GLU  54   8.428  -2.905   3.898
  372   1HB   GLU  54          1HB       GLU  54  10.035  -1.664   4.973
  373   2HB   GLU  54          2HB       GLU  54   9.179  -0.189   4.949
  374   1HG   GLU  54          1HG       GLU  54   8.121  -2.318   6.799
  375   2HG   GLU  54          2HG       GLU  54   9.698  -1.616   7.181
  376    H    SER  55           H        SER  55   6.821  -0.018   5.106
  377    HA   SER  55           HA       SER  55   4.683  -1.379   6.177
  378   1HB   SER  55          1HB       SER  55   3.349   0.794   6.088
  379   2HB   SER  55          2HB       SER  55   4.918   0.862   6.880
  380    HG   SER  55           HG       SER  55   5.796   1.874   5.158
  381    H    CYS  56           H        CYS  56   4.862  -0.263   2.870
  382    HA   CYS  56           HA       CYS  56   2.130  -0.893   2.205
  383   1HB   CYS  56          1HB       CYS  56   3.993   0.619   1.022
  384   2HB   CYS  56          2HB       CYS  56   4.591  -0.866   0.366
  385    H    GLU  57           H        GLU  57   5.190  -2.630   1.819
  386    HA   GLU  57           HA       GLU  57   4.080  -4.856   0.443
  387   1HB   GLU  57          1HB       GLU  57   6.670  -4.564   1.891
  388   2HB   GLU  57          2HB       GLU  57   6.182  -6.032   1.014
  389   1HG   GLU  57          1HG       GLU  57   5.781  -3.425  -0.470
  390   2HG   GLU  57          2HG       GLU  57   7.388  -3.883  -0.071
  391    H    ASP  58           H        ASP  58   4.371  -3.976   3.909
  392    HA   ASP  58           HA       ASP  58   3.531  -6.637   4.769
  393   1HB   ASP  58          1HB       ASP  58   4.794  -5.116   6.294
  394   2HB   ASP  58          2HB       ASP  58   3.354  -4.074   6.374
  395    H    ALA  59           H        ALA  59   1.838  -3.477   3.969
  396    HA   ALA  59           HA       ALA  59  -0.669  -4.369   4.966
  397   1HB   ALA  59          1HB       ALA  59  -0.152  -2.019   4.521
  398   2HB   ALA  59          2HB       ALA  59  -0.027  -2.343   2.778
  399   3HB   ALA  59          3HB       ALA  59  -1.586  -2.531   3.605
  400    H    CYS  60           H        CYS  60   0.562  -4.310   1.566
  401    HA   CYS  60           HA       CYS  60  -1.147  -6.622   0.990
  402   1HB   CYS  60          1HB       CYS  60  -1.016  -4.169  -0.639
  403   2HB   CYS  60          2HB       CYS  60  -1.210  -5.762  -1.390
  404    HA   PRO  61           HA       PRO  61   3.098  -7.688   0.160
  405   1HB   PRO  61          1HB       PRO  61   3.039 -10.208   1.198
  406   2HB   PRO  61          2HB       PRO  61   2.609  -8.834   2.233
  407   1HG   PRO  61          1HG       PRO  61   0.673 -10.598   0.696
  408   2HG   PRO  61          2HG       PRO  61   0.716 -10.261   2.463
  409   1HD   PRO  61          1HD       PRO  61  -0.785  -8.787   0.712
  410   2HD   PRO  61          2HD       PRO  61  -0.034  -8.089   2.180
  411    H    VAL  62           H        VAL  62   3.830  -9.916  -0.378
  412    HA   VAL  62           HA       VAL  62   3.386 -11.080  -3.070
  413    HB   VAL  62           HB       VAL  62   5.892 -11.007  -1.331
  414   1HG1  VAL  62          1HG1      VAL  62   7.075 -11.539  -3.425
  415   2HG1  VAL  62          2HG1      VAL  62   5.813 -12.739  -3.167
  416   3HG1  VAL  62          3HG1      VAL  62   5.564 -11.435  -4.341
  417   1HG2  VAL  62          1HG2      VAL  62   6.821  -9.236  -2.860
  418   2HG2  VAL  62          2HG2      VAL  62   5.199  -9.033  -3.560
  419   3HG2  VAL  62          3HG2      VAL  62   5.506  -8.638  -1.861
  420    H    VAL  63           H        VAL  63   4.762 -13.346  -1.973
  421    HA   VAL  63           HA       VAL  63   2.713 -14.787  -0.685
  422    HB   VAL  63           HB       VAL  63   5.422 -15.235   0.467
  423   1HG1  VAL  63          1HG1      VAL  63   3.237 -17.148  -0.402
  424   2HG1  VAL  63          2HG1      VAL  63   4.759 -17.597   0.393
  425   3HG1  VAL  63          3HG1      VAL  63   3.579 -16.609   1.259
  426   1HG2  VAL  63          1HG2      VAL  63   6.023 -16.721  -1.491
  427   2HG2  VAL  63          2HG2      VAL  63   4.630 -16.060  -2.373
  428   3HG2  VAL  63          3HG2      VAL  63   5.998 -15.011  -1.916
  429    H    ASP  64           H        ASP  64   1.804 -14.706   1.210
  430    HA   ASP  64           HA       ASP  64   1.962 -12.230   2.653
  431   1HB   ASP  64          1HB       ASP  64  -0.167 -13.500   2.191
  432   2HB   ASP  64          2HB       ASP  64   0.258 -14.557   3.544
  433    H    HIS  65           H        HIS  65   2.704 -11.705   4.570
  434    HA   HIS  65           HA       HIS  65   4.715 -13.343   5.785
  435   1HB   HIS  65          1HB       HIS  65   3.816 -10.574   6.656
  436   2HB   HIS  65          2HB       HIS  65   5.405 -11.286   6.810
  437    HD1  HIS  65           1HD      HIS  65   5.292 -11.922   3.341
  438    HD2  HIS  65           2HD      HIS  65   4.580  -8.400   5.576
  439    HE1  HIS  65           1HE      HIS  65   5.502  -9.966   1.721
  440    HE2  HIS  65           2HE      HIS  65   4.889  -7.834   3.061
  441    H    HIS  66           H        HIS  66   1.405 -12.568   6.153
  442    HA   HIS  66           HA       HIS  66   1.029 -13.702   8.780
  443   1HB   HIS  66          1HB       HIS  66   0.108 -11.579   9.759
  444   2HB   HIS  66          2HB       HIS  66   1.822 -11.502   9.450
  445    HD1  HIS  66           1HD      HIS  66   0.092 -10.754   6.130
  446    HD2  HIS  66           2HD      HIS  66   1.442  -8.754   9.636
  447    HE1  HIS  66           1HE      HIS  66   0.091  -8.291   5.635
  448    HE2  HIS  66           2HE      HIS  66   1.084  -7.106   7.692
  449    H    HIS  67           H        HIS  67  -1.464 -11.648   8.564
  450    HA   HIS  67           HA       HIS  67  -2.863 -12.055   6.223
  451   1HB   HIS  67          1HB       HIS  67  -3.124 -14.336   8.042
  452   2HB   HIS  67          2HB       HIS  67  -4.629 -13.427   8.058
  453    HD1  HIS  67           1HD      HIS  67  -2.538 -13.633   4.832
  454    HD2  HIS  67           2HD      HIS  67  -6.168 -14.942   6.559
  455    HE1  HIS  67           1HE      HIS  67  -4.030 -14.357   2.934
  456    HE2  HIS  67           2HE      HIS  67  -6.244 -15.009   3.957
  457    H    HIS  68           H        HIS  68  -4.905 -10.815   6.404
  458    HA   HIS  68           HA       HIS  68  -4.561  -8.609   8.305
  459   1HB   HIS  68          1HB       HIS  68  -6.839  -9.061   6.345
  460   2HB   HIS  68          2HB       HIS  68  -6.366  -7.558   7.093
  461    HD1  HIS  68           1HD      HIS  68  -5.375 -10.003   4.323
  462    HD2  HIS  68           2HD      HIS  68  -5.090  -5.963   5.503
  463    HE1  HIS  68           1HE      HIS  68  -4.693  -8.619   2.257
  464    HE2  HIS  68           2HE      HIS  68  -4.638  -6.220   2.976
  465    H    HIS  69           H        HIS  69  -5.013 -10.637  10.110
  466    HA   HIS  69           HA       HIS  69  -7.736 -10.195  11.027
  467   1HB   HIS  69          1HB       HIS  69  -7.416 -12.276   9.140
  468   2HB   HIS  69          2HB       HIS  69  -7.355 -13.126  10.651
  469    HD1  HIS  69           1HD      HIS  69  -9.767 -13.488  11.849
  470    HD2  HIS  69           2HD      HIS  69  -9.653 -10.849   8.527
  471    HE1  HIS  69           1HE      HIS  69 -12.156 -13.407  10.827
  472    HE2  HIS  69           2HE      HIS  69 -11.994 -11.906   8.706
  473    H    HIS  70           H        HIS  70  -8.209 -12.048  12.723
  474    HA   HIS  70           HA       HIS  70  -6.058 -12.931  14.357
  475   1HB   HIS  70          1HB       HIS  70  -6.672 -10.588  15.218
  476   2HB   HIS  70          2HB       HIS  70  -8.307 -11.200  15.494
  477    HD1  HIS  70           1HD      HIS  70  -7.499 -13.993  16.750
  478    HD2  HIS  70           2HD      HIS  70  -5.836 -10.235  17.696
  479    HE1  HIS  70           1HE      HIS  70  -6.535 -14.199  19.174
  480    HE2  HIS  70           2HE      HIS  70  -5.508 -11.879  19.720
  Start of MODEL   13
    1   1H    GLU   1          1H        GLU   1  -8.069  -3.007 -15.500
    2   2H    GLU   1          2H        GLU   1  -9.071  -4.251 -15.928
    3   3H    GLU   1          H         GLU   1  -8.221  -4.325 -14.527
    4    HA   GLU   1           HA       GLU   1  -9.425  -2.558 -13.560
    5   1HB   GLU   1          1HB       GLU   1 -10.879  -2.417 -16.235
    6   2HB   GLU   1          2HB       GLU   1 -11.391  -1.610 -14.752
    7   1HG   GLU   1          1HG       GLU   1 -10.305   0.064 -15.955
    8   2HG   GLU   1          2HG       GLU   1  -9.148  -0.413 -14.712
    9    H    ALA   2           H        ALA   2  -9.284  -4.989 -12.954
   10    HA   ALA   2           HA       ALA   2 -11.826  -5.694 -11.926
   11   1HB   ALA   2          1HB       ALA   2 -11.913  -8.023 -12.807
   12   2HB   ALA   2          2HB       ALA   2 -12.080  -6.852 -14.127
   13   3HB   ALA   2          3HB       ALA   2 -10.525  -7.681 -13.864
   14    H    GLU   3           H        GLU   3  -9.207  -4.818 -11.137
   15    HA   GLU   3           HA       GLU   3  -8.167  -7.108  -9.530
   16   1HB   GLU   3          1HB       GLU   3  -6.174  -5.237 -10.841
   17   2HB   GLU   3          2HB       GLU   3  -5.948  -6.836 -10.190
   18   1HG   GLU   3          1HG       GLU   3  -5.640  -7.079 -12.493
   19   2HG   GLU   3          2HG       GLU   3  -7.243  -7.757 -12.195
   20    H    ALA   4           H        ALA   4  -8.693  -3.648  -9.992
   21    HA   ALA   4           HA       ALA   4  -7.266  -2.942  -7.465
   22   1HB   ALA   4          1HB       ALA   4  -6.217  -2.089  -9.550
   23   2HB   ALA   4          2HB       ALA   4  -7.736  -1.249  -9.932
   24   3HB   ALA   4          3HB       ALA   4  -6.810  -0.804  -8.480
   25    H    GLU   5           H        GLU   5 -10.270  -3.133  -8.990
   26    HA   GLU   5           HA       GLU   5 -11.589  -0.844  -8.126
   27   1HB   GLU   5          1HB       GLU   5 -12.552  -3.603  -8.969
   28   2HB   GLU   5          2HB       GLU   5 -13.629  -2.240  -8.699
   29   1HG   GLU   5          1HG       GLU   5 -13.181  -2.443 -11.066
   30   2HG   GLU   5          2HG       GLU   5 -12.541  -0.927 -10.446
   31    H    PHE   6           H        PHE   6 -11.437  -4.024  -6.341
   32    HA   PHE   6           HA       PHE   6 -12.472  -2.607  -3.982
   33   1HB   PHE   6          1HB       PHE   6 -14.531  -3.139  -5.220
   34   2HB   PHE   6          2HB       PHE   6 -14.062  -4.831  -5.320
   35    HD1  PHE   6           1HD      PHE   6 -14.385  -6.332  -3.433
   36    HD2  PHE   6           2HD      PHE   6 -15.088  -2.099  -3.001
   37    HE1  PHE   6           1HE      PHE   6 -15.443  -6.733  -1.227
   38    HE2  PHE   6           2HE      PHE   6 -16.145  -2.502  -0.791
   39    HZ   PHE   6           HZ       PHE   6 -16.323  -4.820   0.103
   40    H    THR   7           H        THR   7 -11.325  -3.291  -2.343
   41    HA   THR   7           HA       THR   7 -11.279  -5.584  -0.968
   42    HB   THR   7           HB       THR   7  -8.992  -5.540  -2.927
   43    HG1  THR   7           1HG      THR   7 -10.797  -6.788  -3.343
   44   1HG2  THR   7          1HG2      THR   7  -8.981  -7.056  -0.285
   45   2HG2  THR   7          2HG2      THR   7  -7.982  -7.474  -1.689
   46   3HG2  THR   7          3HG2      THR   7  -7.726  -5.929  -0.899
   47    H    ASP   8           H        ASP   8  -8.925  -5.219   0.372
   48    HA   ASP   8           HA       ASP   8  -9.225  -2.906   1.989
   49   1HB   ASP   8          1HB       ASP   8  -7.860  -4.754   2.760
   50   2HB   ASP   8          2HB       ASP   8  -6.781  -4.611   1.362
   51    H    ALA   9           H        ALA   9  -7.687  -1.073   2.168
   52    HA   ALA   9           HA       ALA   9  -7.773   0.588  -0.103
   53   1HB   ALA   9          1HB       ALA   9  -5.770   0.745   2.191
   54   2HB   ALA   9          2HB       ALA   9  -6.189   2.026   1.046
   55   3HB   ALA   9          3HB       ALA   9  -7.411   1.458   2.200
   56    H    CYS  10           H        CYS  10  -5.236  -1.781   0.847
   57    HA   CYS  10           HA       CYS  10  -3.176  -0.726  -0.784
   58   1HB   CYS  10          1HB       CYS  10  -2.120  -2.839  -0.544
   59   2HB   CYS  10          2HB       CYS  10  -3.014  -2.520   0.938
   60    H    VAL  11           H        VAL  11  -6.056  -2.552  -1.755
   61    HA   VAL  11           HA       VAL  11  -5.058  -3.076  -4.455
   62    HB   VAL  11           HB       VAL  11  -7.618  -3.559  -2.905
   63   1HG1  VAL  11          1HG1      VAL  11  -8.603  -4.715  -4.830
   64   2HG1  VAL  11          2HG1      VAL  11  -8.410  -2.992  -5.153
   65   3HG1  VAL  11          3HG1      VAL  11  -7.259  -4.179  -5.820
   66   1HG2  VAL  11          1HG2      VAL  11  -5.765  -5.105  -2.524
   67   2HG2  VAL  11          2HG2      VAL  11  -6.960  -5.943  -3.526
   68   3HG2  VAL  11          3HG2      VAL  11  -5.505  -5.294  -4.272
   69    H    LEU  12           H        LEU  12  -6.769  -0.485  -2.827
   70    HA   LEU  12           HA       LEU  12  -8.077   0.618  -5.096
   71   1HB   LEU  12          1HB       LEU  12  -9.115   1.236  -3.388
   72   2HB   LEU  12          2HB       LEU  12  -7.745   1.329  -2.262
   73    HG   LEU  12           HG       LEU  12  -7.322   3.633  -3.208
   74   1HD1  LEU  12          1HD1      LEU  12  -9.838   2.959  -4.798
   75   2HD1  LEU  12          2HD1      LEU  12  -9.598   4.616  -4.236
   76   3HD1  LEU  12          3HD1      LEU  12  -8.405   3.895  -5.294
   77   1HD2  LEU  12          1HD2      LEU  12  -8.506   3.246  -1.115
   78   2HD2  LEU  12          2HD2      LEU  12  -9.260   4.608  -1.972
   79   3HD2  LEU  12          3HD2      LEU  12 -10.040   3.020  -1.980
   80    HA   PRO  13           HA       PRO  13  -4.612   2.570  -7.102
   81   1HB   PRO  13          1HB       PRO  13  -6.731   4.544  -7.895
   82   2HB   PRO  13          2HB       PRO  13  -5.497   3.764  -8.921
   83   1HG   PRO  13          1HG       PRO  13  -8.091   2.877  -8.934
   84   2HG   PRO  13          2HG       PRO  13  -6.713   1.739  -9.041
   85   1HD   PRO  13          1HD       PRO  13  -8.470   2.304  -6.660
   86   2HD   PRO  13          2HD       PRO  13  -7.664   0.819  -7.126
   87    H    ALA  14           H        ALA  14  -3.454   4.563  -6.977
   88    HA   ALA  14           HA       ALA  14  -3.735   5.816  -4.303
   89   1HB   ALA  14          1HB       ALA  14  -1.520   4.918  -4.985
   90   2HB   ALA  14          2HB       ALA  14  -1.494   6.046  -6.366
   91   3HB   ALA  14          3HB       ALA  14  -1.466   6.666  -4.701
   92    H    VAL  15           H        VAL  15  -3.691   8.129  -4.072
   93    HA   VAL  15           HA       VAL  15  -4.216   9.787  -6.449
   94    HB   VAL  15           HB       VAL  15  -5.826   9.650  -3.904
   95   1HG1  VAL  15          1HG1      VAL  15  -5.415  11.995  -4.142
   96   2HG1  VAL  15          2HG1      VAL  15  -5.866  11.952  -5.871
   97   3HG1  VAL  15          3HG1      VAL  15  -7.075  11.658  -4.599
   98   1HG2  VAL  15          1HG2      VAL  15  -6.597   8.223  -5.828
   99   2HG2  VAL  15          2HG2      VAL  15  -7.771   9.489  -5.445
  100   3HG2  VAL  15          3HG2      VAL  15  -6.689   9.670  -6.844
  101    H    GLN  16           H        GLN  16  -3.298  11.698  -6.195
  102    HA   GLN  16           HA       GLN  16  -1.018  11.807  -4.330
  103   1HB   GLN  16          1HB       GLN  16  -1.741  13.909  -6.418
  104   2HB   GLN  16          2HB       GLN  16  -0.225  13.710  -5.530
  105   1HG   GLN  16          1HG       GLN  16  -0.300  11.270  -6.657
  106   2HG   GLN  16          2HG       GLN  16  -1.343  12.076  -7.820
  107   1HE2  GLN  16          1HE2      GLN  16   0.251  14.727  -7.590
  108   2HE2  GLN  16          2HE2      GLN  16   1.720  14.335  -8.461
  109    H    GLY  17           H        GLY  17  -3.652  14.114  -5.220
  110   1HA   GLY  17          1HA       GLY  17  -5.219  14.529  -3.265
  111   2HA   GLY  17          2HA       GLY  17  -3.764  15.122  -2.440
  112    HA   PRO  18           HA       PRO  18  -5.549  18.443  -5.265
  113   1HB   PRO  18          1HB       PRO  18  -6.885  20.076  -3.536
  114   2HB   PRO  18          2HB       PRO  18  -7.614  18.586  -4.205
  115   1HG   PRO  18          1HG       PRO  18  -6.299  18.967  -1.500
  116   2HG   PRO  18          2HG       PRO  18  -7.858  18.169  -1.873
  117   1HD   PRO  18          1HD       PRO  18  -5.502  16.782  -1.535
  118   2HD   PRO  18          2HD       PRO  18  -6.793  16.221  -2.629
  119    H    CYS  19           H        CYS  19  -3.525  18.331  -2.474
  120    HA   CYS  19           HA       CYS  19  -2.788  21.118  -2.429
  121   1HB   CYS  19          1HB       CYS  19  -1.625  18.679  -1.081
  122   2HB   CYS  19          2HB       CYS  19  -0.944  20.267  -0.862
  123    H    ARG  20           H        ARG  20  -0.298  21.456  -2.316
  124    HA   ARG  20           HA       ARG  20   0.786  20.784  -5.025
  125   1HB   ARG  20          1HB       ARG  20   0.515  23.532  -3.740
  126   2HB   ARG  20          2HB       ARG  20   1.609  23.146  -5.044
  127   1HG   ARG  20          1HG       ARG  20  -0.257  24.122  -6.091
  128   2HG   ARG  20          2HG       ARG  20  -0.320  22.409  -6.470
  129   1HD   ARG  20          1HD       ARG  20  -2.542  23.400  -6.020
  130   2HD   ARG  20          2HD       ARG  20  -2.180  22.081  -4.929
  131    HE   ARG  20           HE       ARG  20  -1.404  24.664  -3.887
  132   1HH1  ARG  20          2HH2      ARG  20  -4.175  22.400  -4.112
  133   2HH1  ARG  20          1HH2      ARG  20  -5.104  23.189  -2.913
  134   1HH2  ARG  20          2HH1      ARG  20  -2.646  25.675  -2.191
  135   2HH2  ARG  20          1HH1      ARG  20  -4.184  25.038  -1.752
  136    H    GLY  21           H        GLY  21   1.323  20.198  -2.069
  137   1HA   GLY  21          1HA       GLY  21   4.258  20.737  -1.892
  138   2HA   GLY  21          2HA       GLY  21   3.216  20.300  -0.494
  139    H    TRP  22           H        TRP  22   5.475  18.529  -1.487
  140    HA   TRP  22           HA       TRP  22   3.895  16.279  -2.517
  141   1HB   TRP  22          1HB       TRP  22   6.590  17.217  -3.555
  142   2HB   TRP  22          2HB       TRP  22   5.716  15.809  -4.105
  143    HD1  TRP  22           HD       TRP  22   6.552  18.966  -5.317
  144    HE1  TRP  22           1HE      TRP  22   4.837  20.120  -6.814
  145    HE3  TRP  22           3HE      TRP  22   2.421  16.128  -4.201
  146    HZ2  TRP  22           2HZ      TRP  22   2.040  19.866  -7.456
  147    HZ3  TRP  22           3HZ      TRP  22   0.240  16.649  -5.239
  148    HH2  TRP  22           HH       TRP  22   0.029  18.507  -6.859
  149    H    GLU  23           H        GLU  23   4.096  14.780  -1.223
  150    HA   GLU  23           HA       GLU  23   6.336  14.380   0.695
  151   1HB   GLU  23          1HB       GLU  23   4.301  15.220   1.712
  152   2HB   GLU  23          2HB       GLU  23   3.295  14.066   0.843
  153   1HG   GLU  23          1HG       GLU  23   3.396  13.377   3.075
  154   2HG   GLU  23          2HG       GLU  23   4.261  12.210   2.093
  155    HA   PRO  24           HA       PRO  24   6.393  10.555  -1.965
  156   1HB   PRO  24          1HB       PRO  24   8.645   9.396  -0.946
  157   2HB   PRO  24          2HB       PRO  24   8.683  10.769  -2.096
  158   1HG   PRO  24          1HG       PRO  24   8.945  10.861   0.926
  159   2HG   PRO  24          2HG       PRO  24   9.971  11.673  -0.301
  160   1HD   PRO  24          1HD       PRO  24   7.958  12.968   0.974
  161   2HD   PRO  24          2HD       PRO  24   8.303  13.294  -0.746
  162    H    ARG  25           H        ARG  25   5.069   8.978  -1.603
  163    HA   ARG  25           HA       ARG  25   5.226   7.458   0.945
  164   1HB   ARG  25          1HB       ARG  25   2.691   8.503  -0.399
  165   2HB   ARG  25          2HB       ARG  25   2.658   7.176   0.760
  166   1HG   ARG  25          1HG       ARG  25   3.695   9.980   1.378
  167   2HG   ARG  25          2HG       ARG  25   2.118   9.333   1.806
  168   1HD   ARG  25          1HD       ARG  25   3.159   7.544   3.130
  169   2HD   ARG  25          2HD       ARG  25   4.768   8.156   2.773
  170    HE   ARG  25           HE       ARG  25   2.769   9.345   4.547
  171   1HH1  ARG  25          2HH2      ARG  25   5.910   9.845   2.837
  172   2HH1  ARG  25          1HH2      ARG  25   6.279  11.255   3.713
  173   1HH2  ARG  25          2HH1      ARG  25   3.432  11.222   5.823
  174   2HH2  ARG  25          1HH1      ARG  25   4.855  12.062   5.334
  175    H    TRP  26           H        TRP  26   3.775   5.364   0.576
  176    HA   TRP  26           HA       TRP  26   4.683   4.179  -2.011
  177   1HB   TRP  26          1HB       TRP  26   4.825   3.161   0.850
  178   2HB   TRP  26          2HB       TRP  26   4.820   2.062  -0.526
  179    HD1  TRP  26           HD       TRP  26   6.968   4.867   1.022
  180    HE1  TRP  26           1HE      TRP  26   9.328   4.760   0.054
  181    HE3  TRP  26           3HE      TRP  26   6.264   1.057  -2.291
  182    HZ2  TRP  26           2HZ      TRP  26  10.729   3.236  -2.025
  183    HZ3  TRP  26           3HZ      TRP  26   8.013   0.533  -3.977
  184    HH2  TRP  26           HH       TRP  26  10.262   1.459  -3.746
  185    H    ALA  27           H        ALA  27   3.137   2.872  -3.063
  186    HA   ALA  27           HA       ALA  27   0.617   2.337  -1.617
  187   1HB   ALA  27          1HB       ALA  27   0.003   4.249  -2.966
  188   2HB   ALA  27          2HB       ALA  27   0.795   3.549  -4.411
  189   3HB   ALA  27          3HB       ALA  27  -0.653   2.801  -3.723
  190    H    TYR  28           H        TYR  28  -0.362   0.449  -2.283
  191    HA   TYR  28           HA       TYR  28   1.405  -1.494  -3.651
  192   1HB   TYR  28          1HB       TYR  28   0.248  -2.090  -1.517
  193   2HB   TYR  28          2HB       TYR  28  -1.267  -1.762  -2.246
  194    HD1  TYR  28           1HD      TYR  28  -2.080  -3.253  -4.223
  195    HD2  TYR  28           2HD      TYR  28   1.230  -4.300  -1.652
  196    HE1  TYR  28           1HE      TYR  28  -2.298  -5.606  -4.894
  197    HE2  TYR  28           2HE      TYR  28   1.058  -6.640  -2.406
  198    HH   TYR  28           HH       TYR  28  -0.610  -8.183  -3.372
  199    H    SER  29           H        SER  29   0.913  -2.325  -5.687
  200    HA   SER  29           HA       SER  29  -1.533  -1.350  -7.036
  201   1HB   SER  29          1HB       SER  29   1.321  -1.350  -7.951
  202   2HB   SER  29          2HB       SER  29   0.031  -1.322  -9.129
  203    HG   SER  29           HG       SER  29  -0.535   0.281  -7.018
  204    HA   PRO  30           HA       PRO  30  -1.817  -5.854  -7.106
  205   1HB   PRO  30          1HB       PRO  30  -4.372  -6.056  -8.133
  206   2HB   PRO  30          2HB       PRO  30  -4.020  -5.730  -6.413
  207   1HG   PRO  30          1HG       PRO  30  -4.750  -3.761  -8.578
  208   2HG   PRO  30          2HG       PRO  30  -5.318  -3.826  -6.879
  209   1HD   PRO  30          1HD       PRO  30  -3.370  -2.127  -7.720
  210   2HD   PRO  30          2HD       PRO  30  -3.392  -2.816  -6.072
  211    H    LEU  31           H        LEU  31  -2.765  -3.665  -9.777
  212    HA   LEU  31           HA       LEU  31  -2.395  -5.431 -11.950
  213   1HB   LEU  31          1HB       LEU  31  -2.324  -2.449 -11.628
  214   2HB   LEU  31          2HB       LEU  31  -1.876  -3.169 -13.167
  215    HG   LEU  31           HG       LEU  31  -4.466  -3.998 -11.819
  216   1HD1  LEU  31          1HD1      LEU  31  -4.077  -1.613 -13.659
  217   2HD1  LEU  31          2HD1      LEU  31  -5.628  -2.278 -13.094
  218   3HD1  LEU  31          3HD1      LEU  31  -4.514  -1.556 -11.923
  219   1HD2  LEU  31          1HD2      LEU  31  -3.502  -3.889 -14.729
  220   2HD2  LEU  31          2HD2      LEU  31  -3.725  -5.358 -13.748
  221   3HD2  LEU  31          3HD2      LEU  31  -5.116  -4.380 -14.220
  222    H    LEU  32           H        LEU  32  -0.021  -3.919  -9.906
  223    HA   LEU  32           HA       LEU  32   2.196  -4.683 -11.764
  224   1HB   LEU  32          1HB       LEU  32   1.894  -2.777  -9.454
  225   2HB   LEU  32          2HB       LEU  32   3.486  -3.296  -9.917
  226    HG   LEU  32           HG       LEU  32   1.579  -1.987 -11.898
  227   1HD1  LEU  32          1HD1      LEU  32   2.957   0.060 -11.591
  228   2HD1  LEU  32          2HD1      LEU  32   2.066  -0.376 -10.136
  229   3HD1  LEU  32          3HD1      LEU  32   3.814  -0.727 -10.246
  230   1HD2  LEU  32          1HD2      LEU  32   3.661  -1.592 -13.205
  231   2HD2  LEU  32          2HD2      LEU  32   4.596  -2.495 -11.988
  232   3HD2  LEU  32          3HD2      LEU  32   3.362  -3.309 -12.974
  233    H    GLN  33           H        GLN  33   0.346  -5.840  -9.272
  234    HA   GLN  33           HA       GLN  33   0.458  -7.131  -7.518
  235   1HB   GLN  33          1HB       GLN  33   0.867  -8.616  -9.571
  236   2HB   GLN  33          2HB       GLN  33   2.565  -8.664  -9.086
  237   1HG   GLN  33          1HG       GLN  33   0.958  -9.216  -6.769
  238   2HG   GLN  33          2HG       GLN  33   0.277 -10.165  -8.076
  239   1HE2  GLN  33          1HE2      GLN  33   2.163 -11.236  -9.523
  240   2HE2  GLN  33          2HE2      GLN  33   3.341 -12.121  -8.569
  241    H    GLN  34           H        GLN  34   2.025  -4.809  -7.152
  242    HA   GLN  34           HA       GLN  34   3.996  -5.672  -5.176
  243   1HB   GLN  34          1HB       GLN  34   4.989  -5.912  -7.626
  244   2HB   GLN  34          2HB       GLN  34   5.019  -4.142  -7.592
  245   1HG   GLN  34          1HG       GLN  34   6.565  -4.212  -5.686
  246   2HG   GLN  34          2HG       GLN  34   6.506  -5.980  -5.696
  247   1HE2  GLN  34          1HE2      GLN  34   6.482  -6.036  -8.796
  248   2HE2  GLN  34          2HE2      GLN  34   8.145  -5.668  -9.201
  249    H    CYS  35           H        CYS  35   5.184  -3.621  -4.391
  250    HA   CYS  35           HA       CYS  35   3.287  -1.318  -4.424
  251   1HB   CYS  35          1HB       CYS  35   5.510  -1.960  -2.473
  252   2HB   CYS  35          2HB       CYS  35   4.472  -0.538  -2.432
  253    H    HIS  36           H        HIS  36   3.957   0.705  -4.795
  254    HA   HIS  36           HA       HIS  36   6.742   1.144  -5.781
  255   1HB   HIS  36          1HB       HIS  36   5.982   2.384  -7.723
  256   2HB   HIS  36          2HB       HIS  36   5.362   0.747  -7.778
  257    HD1  HIS  36           1HD      HIS  36   4.116   4.360  -7.034
  258    HD2  HIS  36           2HD      HIS  36   2.663   0.466  -7.974
  259    HE1  HIS  36           1HE      HIS  36   1.588   4.563  -7.477
  260    HE2  HIS  36           2HE      HIS  36   0.769   2.131  -8.029
  261    HA   PRO  37           HA       PRO  37   6.197   4.862  -3.360
  262   1HB   PRO  37          1HB       PRO  37   7.969   6.582  -4.752
  263   2HB   PRO  37          2HB       PRO  37   8.354   5.546  -3.356
  264   1HG   PRO  37          1HG       PRO  37   9.222   5.214  -6.110
  265   2HG   PRO  37          2HG       PRO  37   9.616   4.204  -4.692
  266   1HD   PRO  37          1HD       PRO  37   7.664   3.721  -6.838
  267   2HD   PRO  37          2HD       PRO  37   8.347   2.579  -5.647
  268    H    PHE  38           H        PHE  38   5.420   7.267  -3.711
  269    HA   PHE  38           HA       PHE  38   4.703   8.002  -6.380
  270   1HB   PHE  38          1HB       PHE  38   2.365   8.047  -6.255
  271   2HB   PHE  38          2HB       PHE  38   2.809   6.417  -5.827
  272    HD1  PHE  38           1HD      PHE  38   2.845   5.833  -3.223
  273    HD2  PHE  38           2HD      PHE  38   0.864   9.276  -4.927
  274    HE1  PHE  38           1HE      PHE  38   1.246   5.912  -1.308
  275    HE2  PHE  38           2HE      PHE  38  -0.669   9.334  -3.008
  276    HZ   PHE  38           HZ       PHE  38  -0.505   7.629  -1.210
  277    H    VAL  39           H        VAL  39   3.635  10.196  -6.320
  278    HA   VAL  39           HA       VAL  39   4.754  11.791  -4.103
  279    HB   VAL  39           HB       VAL  39   3.703  12.377  -6.903
  280   1HG1  VAL  39          1HG1      VAL  39   2.773  14.165  -5.640
  281   2HG1  VAL  39          2HG1      VAL  39   4.222  14.322  -4.637
  282   3HG1  VAL  39          3HG1      VAL  39   4.252  14.810  -6.353
  283   1HG2  VAL  39          1HG2      VAL  39   6.366  12.951  -5.530
  284   2HG2  VAL  39          2HG2      VAL  39   6.062  11.647  -6.702
  285   3HG2  VAL  39          3HG2      VAL  39   5.946  13.335  -7.213
  286    H    TYR  40           H        TYR  40   3.429  12.026  -2.408
  287    HA   TYR  40           HA       TYR  40   0.484  12.026  -2.790
  288   1HB   TYR  40          1HB       TYR  40   1.074  10.248  -1.352
  289   2HB   TYR  40          2HB       TYR  40   2.341  11.139  -0.574
  290    HD1  TYR  40           1HD      TYR  40   2.004  11.850   1.556
  291    HD2  TYR  40           2HD      TYR  40  -1.393  11.472  -1.085
  292    HE1  TYR  40           1HE      TYR  40   0.539  12.571   3.370
  293    HE2  TYR  40           2HE      TYR  40  -2.868  12.326   0.689
  294    HH   TYR  40           HH       TYR  40  -2.845  13.445   2.737
  295    H    GLY  41           H        GLY  41  -0.570  13.847  -1.564
  296   1HA   GLY  41          1HA       GLY  41   1.130  16.243  -1.808
  297   2HA   GLY  41          2HA       GLY  41  -0.600  16.190  -1.863
  298    H    GLY  42           H        GLY  42   0.297  14.375   0.826
  299   1HA   GLY  42          1HA       GLY  42   0.536  14.751   3.048
  300   2HA   GLY  42          2HA       GLY  42   1.018  16.424   2.727
  301    H    CYS  43           H        CYS  43  -1.823  16.293   1.245
  302    HA   CYS  43           HA       CYS  43  -3.610  16.604   3.558
  303   1HB   CYS  43          1HB       CYS  43  -4.663  18.423   2.633
  304   2HB   CYS  43          2HB       CYS  43  -2.961  18.747   2.432
  305    H    GLU  44           H        GLU  44  -5.999  16.598   2.130
  306    HA   GLU  44           HA       GLU  44  -6.888  14.109   2.207
  307   1HB   GLU  44          1HB       GLU  44  -7.698  15.927  -0.066
  308   2HB   GLU  44          2HB       GLU  44  -8.614  14.609   0.659
  309   1HG   GLU  44          1HG       GLU  44  -9.568  16.400   1.690
  310   2HG   GLU  44          2HG       GLU  44  -8.381  15.948   2.896
  311    H    GLY  45           H        GLY  45  -6.802  12.157   1.096
  312   1HA   GLY  45          1HA       GLY  45  -6.016  11.750  -1.603
  313   2HA   GLY  45          2HA       GLY  45  -4.700  11.395  -0.485
  314    H    ASN  46           H        ASN  46  -5.368   9.063  -1.469
  315    HA   ASN  46           HA       ASN  46  -7.780   8.018  -0.077
  316   1HB   ASN  46          1HB       ASN  46  -5.977   6.384  -1.872
  317   2HB   ASN  46          2HB       ASN  46  -7.565   5.988  -1.299
  318   1HD2  ASN  46          1HD2      ASN  46  -7.331   5.650  -4.007
  319   2HD2  ASN  46          2HD2      ASN  46  -8.209   6.974  -4.730
  320    H    GLY  47           H        GLY  47  -7.370   5.661   0.588
  321   1HA   GLY  47          1HA       GLY  47  -5.693   5.867   2.999
  322   2HA   GLY  47          2HA       GLY  47  -6.851   4.582   2.632
  323    H    ASN  48           H        ASN  48  -5.187   4.633  -0.156
  324    HA   ASN  48           HA       ASN  48  -3.396   2.437   0.600
  325   1HB   ASN  48          1HB       ASN  48  -4.716   2.491  -1.543
  326   2HB   ASN  48          2HB       ASN  48  -3.774   3.790  -2.105
  327   1HD2  ASN  48          1HD2      ASN  48  -3.755   1.452  -3.529
  328   2HD2  ASN  48          2HD2      ASN  48  -2.345   0.463  -3.353
  329    H    ASN  49           H        ASN  49  -2.307   3.859   2.156
  330    HA   ASN  49           HA       ASN  49  -0.129   5.468   0.892
  331   1HB   ASN  49          1HB       ASN  49  -2.115   6.854   1.702
  332   2HB   ASN  49          2HB       ASN  49  -1.790   6.272   3.330
  333   1HD2  ASN  49          1HD2      ASN  49  -1.462   8.920   1.538
  334   2HD2  ASN  49          2HD2      ASN  49   0.021   9.582   2.152
  335    H    PHE  50           H        PHE  50   1.574   4.267   1.396
  336    HA   PHE  50           HA       PHE  50   1.831   3.091   4.088
  337   1HB   PHE  50          1HB       PHE  50   2.946   2.141   1.434
  338   2HB   PHE  50          2HB       PHE  50   3.444   1.498   2.932
  339    HD1  PHE  50           1HD      PHE  50   1.832   0.287   4.465
  340    HD2  PHE  50           2HD      PHE  50   0.609   1.655   0.554
  341    HE1  PHE  50           1HE      PHE  50  -0.297  -0.964   4.675
  342    HE2  PHE  50           2HE      PHE  50  -1.477   0.329   0.766
  343    HZ   PHE  50           HZ       PHE  50  -1.961  -0.930   2.822
  344    H    HIS  51           H        HIS  51   3.922   2.953   4.863
  345    HA   HIS  51           HA       HIS  51   5.188   5.612   4.759
  346   1HB   HIS  51          1HB       HIS  51   5.816   3.278   6.607
  347   2HB   HIS  51          2HB       HIS  51   5.949   4.988   6.916
  348    HD1  HIS  51           1HD      HIS  51   3.777   2.138   7.673
  349    HD2  HIS  51           2HD      HIS  51   3.085   6.121   6.430
  350    HE1  HIS  51           1HE      HIS  51   1.239   2.577   7.929
  351    HE2  HIS  51           2HE      HIS  51   0.841   4.995   7.159
  352    H    SER  52           H        SER  52   5.734   2.429   3.644
  353    HA   SER  52           HA       SER  52   8.405   3.025   2.642
  354   1HB   SER  52          1HB       SER  52   9.325   0.977   4.010
  355   2HB   SER  52          2HB       SER  52   9.196   2.541   4.814
  356    HG   SER  52           HG       SER  52   8.280   0.554   5.946
  357    H    ARG  53           H        ARG  53   9.269   1.204   1.529
  358    HA   ARG  53           HA       ARG  53   7.457  -0.279  -0.137
  359   1HB   ARG  53          1HB       ARG  53   9.738   0.332  -0.791
  360   2HB   ARG  53          2HB       ARG  53  10.400  -0.637   0.525
  361   1HG   ARG  53          1HG       ARG  53  10.570  -1.791  -1.537
  362   2HG   ARG  53          2HG       ARG  53   9.499  -2.685  -0.471
  363   1HD   ARG  53          1HD       ARG  53   7.584  -1.560  -1.839
  364   2HD   ARG  53          2HD       ARG  53   8.826  -1.059  -2.951
  365    HE   ARG  53           HE       ARG  53   8.561  -3.912  -2.122
  366   1HH1  ARG  53          2HH2      ARG  53   8.282  -1.822  -4.992
  367   2HH1  ARG  53          1HH2      ARG  53   8.985  -3.050  -6.006
  368   1HH2  ARG  53          2HH1      ARG  53   8.978  -5.455  -3.484
  369   2HH2  ARG  53          1HH1      ARG  53   9.279  -5.159  -5.202
  370    H    GLU  54           H        GLU  54   9.438  -1.122   2.649
  371    HA   GLU  54           HA       GLU  54   8.825  -3.778   3.136
  372   1HB   GLU  54          1HB       GLU  54  10.562  -2.787   4.256
  373   2HB   GLU  54          2HB       GLU  54   9.760  -1.327   4.620
  374   1HG   GLU  54          1HG       GLU  54   8.993  -3.907   6.049
  375   2HG   GLU  54          2HG       GLU  54  10.437  -3.003   6.519
  376    H    SER  55           H        SER  55   7.420  -1.171   5.014
  377    HA   SER  55           HA       SER  55   5.412  -2.679   6.047
  378   1HB   SER  55          1HB       SER  55   4.104  -0.680   6.636
  379   2HB   SER  55          2HB       SER  55   5.821  -0.548   7.019
  380    HG   SER  55           HG       SER  55   6.129   0.820   5.379
  381    H    CYS  56           H        CYS  56   5.210  -1.231   2.887
  382    HA   CYS  56           HA       CYS  56   2.418  -1.797   2.464
  383   1HB   CYS  56          1HB       CYS  56   4.098  -0.166   1.231
  384   2HB   CYS  56          2HB       CYS  56   4.752  -1.565   0.466
  385    H    GLU  57           H        GLU  57   5.375  -3.480   1.429
  386    HA   GLU  57           HA       GLU  57   3.879  -5.654   0.223
  387   1HB   GLU  57          1HB       GLU  57   6.824  -5.440   0.989
  388   2HB   GLU  57          2HB       GLU  57   6.084  -6.842   0.191
  389   1HG   GLU  57          1HG       GLU  57   5.148  -5.104  -1.532
  390   2HG   GLU  57          2HG       GLU  57   6.391  -4.025  -0.902
  391    H    ASP  58           H        ASP  58   5.066  -5.017   3.518
  392    HA   ASP  58           HA       ASP  58   4.336  -7.729   4.324
  393   1HB   ASP  58          1HB       ASP  58   6.136  -6.294   5.451
  394   2HB   ASP  58          2HB       ASP  58   4.793  -5.418   6.221
  395    H    ALA  59           H        ALA  59   2.581  -4.550   3.970
  396    HA   ALA  59           HA       ALA  59   0.434  -5.391   5.660
  397   1HB   ALA  59          1HB       ALA  59  -0.871  -3.674   4.460
  398   2HB   ALA  59          2HB       ALA  59   0.690  -3.062   5.033
  399   3HB   ALA  59          3HB       ALA  59   0.456  -3.447   3.311
  400    H    CYS  60           H        CYS  60   0.682  -5.369   2.053
  401    HA   CYS  60           HA       CYS  60  -1.512  -7.405   2.060
  402   1HB   CYS  60          1HB       CYS  60  -0.853  -5.236   0.123
  403   2HB   CYS  60          2HB       CYS  60  -1.768  -6.668  -0.366
  404    HA   PRO  61           HA       PRO  61   1.817 -10.035   0.484
  405   1HB   PRO  61          1HB       PRO  61   0.896 -12.446   1.379
  406   2HB   PRO  61          2HB       PRO  61   1.643 -11.257   2.472
  407   1HG   PRO  61          1HG       PRO  61  -1.316 -11.720   1.941
  408   2HG   PRO  61          2HG       PRO  61  -0.490 -11.608   3.530
  409   1HD   PRO  61          1HD       PRO  61  -1.759  -9.482   2.352
  410   2HD   PRO  61          2HD       PRO  61  -0.302  -9.285   3.369
  411    H    VAL  62           H        VAL  62   1.695 -12.048  -0.700
  412    HA   VAL  62           HA       VAL  62  -0.362 -13.060  -2.368
  413    HB   VAL  62           HB       VAL  62   2.047 -11.955  -3.817
  414   1HG1  VAL  62          1HG1      VAL  62  -0.821 -12.528  -4.721
  415   2HG1  VAL  62          2HG1      VAL  62   0.543 -12.141  -5.777
  416   3HG1  VAL  62          3HG1      VAL  62   0.519 -13.667  -4.897
  417   1HG2  VAL  62          1HG2      VAL  62   0.799 -10.016  -4.687
  418   2HG2  VAL  62          2HG2      VAL  62  -0.505 -10.333  -3.532
  419   3HG2  VAL  62          3HG2      VAL  62   1.117  -9.856  -2.966
  420    H    VAL  63           H        VAL  63   1.723 -14.342  -3.850
  421    HA   VAL  63           HA       VAL  63   2.757 -16.222  -1.916
  422    HB   VAL  63           HB       VAL  63   4.429 -15.631  -4.336
  423   1HG1  VAL  63          1HG1      VAL  63   4.752 -18.068  -4.339
  424   2HG1  VAL  63          2HG1      VAL  63   5.147 -17.366  -2.767
  425   3HG1  VAL  63          3HG1      VAL  63   3.607 -18.230  -2.994
  426   1HG2  VAL  63          1HG2      VAL  63   2.202 -15.625  -5.371
  427   2HG2  VAL  63          2HG2      VAL  63   2.990 -17.156  -5.741
  428   3HG2  VAL  63          3HG2      VAL  63   1.746 -17.095  -4.474
  429    H    ASP  64           H        ASP  64   4.659 -16.016  -0.640
  430    HA   ASP  64           HA       ASP  64   5.203 -13.386   0.190
  431   1HB   ASP  64          1HB       ASP  64   5.613 -15.254   1.694
  432   2HB   ASP  64          2HB       ASP  64   7.014 -15.751   0.729
  433    H    HIS  65           H        HIS  65   6.135 -11.771  -0.886
  434    HA   HIS  65           HA       HIS  65   8.191 -12.125  -2.830
  435   1HB   HIS  65          1HB       HIS  65   7.328  -9.657  -1.228
  436   2HB   HIS  65          2HB       HIS  65   8.395  -9.645  -2.616
  437    HD1  HIS  65           1HD      HIS  65   6.066  -7.826  -3.095
  438    HD2  HIS  65           2HD      HIS  65   5.857 -12.004  -3.823
  439    HE1  HIS  65           1HE      HIS  65   4.020  -8.234  -4.564
  440    HE2  HIS  65           2HE      HIS  65   3.949 -10.707  -5.120
  441    H    HIS  66           H        HIS  66   9.817 -13.239  -1.963
  442    HA   HIS  66           HA       HIS  66  10.541 -14.041   0.290
  443   1HB   HIS  66          1HB       HIS  66  11.753 -14.477  -1.811
  444   2HB   HIS  66          2HB       HIS  66  12.717 -13.021  -1.546
  445    HD1  HIS  66           1HD      HIS  66  12.171 -16.545  -0.052
  446    HD2  HIS  66           2HD      HIS  66  14.670 -13.146   0.281
  447    HE1  HIS  66           1HE      HIS  66  14.145 -17.232   1.463
  448    HE2  HIS  66           2HE      HIS  66  15.669 -15.154   1.648
  449    H    HIS  67           H        HIS  67   9.996 -12.942   1.973
  450    HA   HIS  67           HA       HIS  67  12.163 -11.712   3.413
  451   1HB   HIS  67          1HB       HIS  67  11.201  -9.736   4.152
  452   2HB   HIS  67          2HB       HIS  67  11.013  -9.696   2.419
  453    HD1  HIS  67           1HD      HIS  67   8.233 -10.691   1.771
  454    HD2  HIS  67           2HD      HIS  67   9.166  -8.833   5.470
  455    HE1  HIS  67           1HE      HIS  67   6.008  -9.836   2.792
  456    HE2  HIS  67           2HE      HIS  67   6.609  -8.809   5.098
  457    H    HIS  68           H        HIS  68   8.791 -11.594   4.391
  458    HA   HIS  68           HA       HIS  68   8.046 -14.110   5.028
  459   1HB   HIS  68          1HB       HIS  68   9.750 -14.444   6.758
  460   2HB   HIS  68          2HB       HIS  68   9.575 -12.789   7.331
  461    HD1  HIS  68           1HD      HIS  68   7.503 -16.096   7.425
  462    HD2  HIS  68           2HD      HIS  68   7.687 -12.222   9.094
  463    HE1  HIS  68           1HE      HIS  68   5.619 -15.927   9.188
  464    HE2  HIS  68           2HE      HIS  68   5.677 -13.591  10.113
  465    H    HIS  69           H        HIS  69   6.001 -13.104   4.399
  466    HA   HIS  69           HA       HIS  69   5.050 -10.626   5.363
  467   1HB   HIS  69          1HB       HIS  69   3.655 -11.966   3.824
  468   2HB   HIS  69          2HB       HIS  69   3.431 -13.202   5.070
  469    HD1  HIS  69           1HD      HIS  69   2.007 -12.200   7.452
  470    HD2  HIS  69           2HD      HIS  69   2.240  -9.679   4.044
  471    HE1  HIS  69           1HE      HIS  69   0.350 -10.374   7.774
  472    HE2  HIS  69           2HE      HIS  69   0.579  -8.779   5.722
  473    H    HIS  70           H        HIS  70   4.662  -9.909   7.467
  474    HA   HIS  70           HA       HIS  70   5.474 -11.059   9.731
  475   1HB   HIS  70          1HB       HIS  70   4.668  -8.837   9.744
  476   2HB   HIS  70          2HB       HIS  70   3.032  -9.328   9.311
  477    HD1  HIS  70           1HD      HIS  70   3.631 -11.661  11.914
  478    HD2  HIS  70           2HD      HIS  70   3.073  -7.486  11.636
  479    HE1  HIS  70           1HE      HIS  70   2.811 -10.870  14.261
  480    HE2  HIS  70           2HE      HIS  70   2.470  -8.305  14.065
  Start of MODEL   14
    1   1H    GLU   1          1H        GLU   1 -12.620 -14.656  -5.642
    2   2H    GLU   1          2H        GLU   1 -11.914 -13.924  -6.928
    3   3H    GLU   1          H         GLU   1 -12.752 -12.993  -5.854
    4    HA   GLU   1           HA       GLU   1 -11.166 -13.744  -4.118
    5   1HB   GLU   1          1HB       GLU   1  -9.681 -14.580  -6.642
    6   2HB   GLU   1          2HB       GLU   1  -8.875 -14.308  -5.099
    7   1HG   GLU   1          1HG       GLU   1  -9.364 -16.725  -5.565
    8   2HG   GLU   1          2HG       GLU   1 -10.011 -16.119  -4.031
    9    H    ALA   2           H        ALA   2  -8.819 -12.394  -4.227
   10    HA   ALA   2           HA       ALA   2  -8.977 -10.057  -5.897
   11   1HB   ALA   2          1HB       ALA   2  -8.846  -9.870  -2.846
   12   2HB   ALA   2          2HB       ALA   2  -8.668  -8.516  -3.982
   13   3HB   ALA   2          3HB       ALA   2 -10.222  -9.346  -3.842
   14    H    GLU   3           H        GLU   3  -6.737  -8.845  -4.672
   15    HA   GLU   3           HA       GLU   3  -4.509 -10.229  -5.572
   16   1HB   GLU   3          1HB       GLU   3  -4.685  -8.299  -3.203
   17   2HB   GLU   3          2HB       GLU   3  -3.209  -8.722  -4.074
   18   1HG   GLU   3          1HG       GLU   3  -5.635  -7.277  -5.245
   19   2HG   GLU   3          2HG       GLU   3  -4.138  -6.524  -4.729
   20    H    ALA   4           H        ALA   4  -5.746 -10.065  -2.218
   21    HA   ALA   4           HA       ALA   4  -4.556 -12.679  -1.656
   22   1HB   ALA   4          1HB       ALA   4  -4.110 -11.987   0.666
   23   2HB   ALA   4          2HB       ALA   4  -3.240 -10.934  -0.463
   24   3HB   ALA   4          3HB       ALA   4  -4.733 -10.356   0.310
   25    H    GLU   5           H        GLU   5  -5.732 -13.522   0.498
   26    HA   GLU   5           HA       GLU   5  -8.526 -13.781  -0.087
   27   1HB   GLU   5          1HB       GLU   5  -7.071 -14.357   2.542
   28   2HB   GLU   5          2HB       GLU   5  -8.644 -14.959   2.036
   29   1HG   GLU   5          1HG       GLU   5  -7.476 -16.800   1.497
   30   2HG   GLU   5          2HG       GLU   5  -7.220 -15.952  -0.024
   31    H    PHE   6           H        PHE   6  -6.695 -11.386   1.513
   32    HA   PHE   6           HA       PHE   6  -9.044 -10.117   2.825
   33   1HB   PHE   6          1HB       PHE   6  -7.286 -10.635   4.433
   34   2HB   PHE   6          2HB       PHE   6  -6.049  -9.975   3.370
   35    HD1  PHE   6           1HD      PHE   6  -9.256  -8.845   5.038
   36    HD2  PHE   6           2HD      PHE   6  -5.213  -7.844   3.866
   37    HE1  PHE   6           1HE      PHE   6  -9.503  -6.591   6.050
   38    HE2  PHE   6           2HE      PHE   6  -5.463  -5.628   4.911
   39    HZ   PHE   6           HZ       PHE   6  -7.611  -4.982   5.988
   40    H    THR   7           H        THR   7  -8.917  -7.609   2.590
   41    HA   THR   7           HA       THR   7  -7.388  -6.565   0.386
   42    HB   THR   7           HB       THR   7 -10.388  -7.027   0.204
   43    HG1  THR   7           1HG      THR   7  -8.471  -8.322  -0.736
   44   1HG2  THR   7          1HG2      THR   7 -10.382  -5.590  -1.845
   45   2HG2  THR   7          2HG2      THR   7 -10.173  -4.669  -0.347
   46   3HG2  THR   7          3HG2      THR   7  -8.773  -4.990  -1.385
   47    H    ASP   8           H        ASP   8  -6.917  -4.527   0.884
   48    HA   ASP   8           HA       ASP   8  -8.457  -2.885   2.773
   49   1HB   ASP   8          1HB       ASP   8  -6.571  -3.758   3.904
   50   2HB   ASP   8          2HB       ASP   8  -5.530  -3.656   2.516
   51    H    ALA   9           H        ALA   9  -7.335  -0.578   2.447
   52    HA   ALA   9           HA       ALA   9  -8.033   0.623  -0.030
   53   1HB   ALA   9          1HB       ALA   9  -5.906   1.446   2.003
   54   2HB   ALA   9          2HB       ALA   9  -6.702   2.487   0.805
   55   3HB   ALA   9          3HB       ALA   9  -7.642   1.807   2.157
   56    H    CYS  10           H        CYS  10  -5.035  -1.078   0.978
   57    HA   CYS  10           HA       CYS  10  -3.194  -0.254  -0.882
   58   1HB   CYS  10          1HB       CYS  10  -2.252  -2.481  -0.631
   59   2HB   CYS  10          2HB       CYS  10  -2.892  -1.880   0.897
   60    H    VAL  11           H        VAL  11  -6.042  -2.325  -1.650
   61    HA   VAL  11           HA       VAL  11  -5.025  -2.904  -4.333
   62    HB   VAL  11           HB       VAL  11  -7.841  -3.282  -3.240
   63   1HG1  VAL  11          1HG1      VAL  11  -7.720  -3.499  -5.708
   64   2HG1  VAL  11          2HG1      VAL  11  -6.371  -4.646  -5.550
   65   3HG1  VAL  11          3HG1      VAL  11  -7.989  -5.070  -4.953
   66   1HG2  VAL  11          1HG2      VAL  11  -7.052  -5.677  -2.878
   67   2HG2  VAL  11          2HG2      VAL  11  -5.394  -5.114  -3.157
   68   3HG2  VAL  11          3HG2      VAL  11  -6.334  -4.505  -1.778
   69    H    LEU  12           H        LEU  12  -6.624  -0.230  -2.915
   70    HA   LEU  12           HA       LEU  12  -7.958   0.802  -5.246
   71   1HB   LEU  12          1HB       LEU  12  -9.079   1.472  -3.641
   72   2HB   LEU  12          2HB       LEU  12  -7.853   1.480  -2.397
   73    HG   LEU  12           HG       LEU  12  -7.230   3.795  -3.335
   74   1HD1  LEU  12          1HD1      LEU  12  -9.759   3.220  -4.969
   75   2HD1  LEU  12          2HD1      LEU  12  -9.392   4.865  -4.440
   76   3HD1  LEU  12          3HD1      LEU  12  -8.247   4.027  -5.473
   77   1HD2  LEU  12          1HD2      LEU  12  -9.963   3.158  -2.138
   78   2HD2  LEU  12          2HD2      LEU  12  -8.439   3.400  -1.275
   79   3HD2  LEU  12          3HD2      LEU  12  -9.212   4.763  -2.109
   80    HA   PRO  13           HA       PRO  13  -4.263   2.519  -7.040
   81   1HB   PRO  13          1HB       PRO  13  -6.213   4.566  -8.057
   82   2HB   PRO  13          2HB       PRO  13  -4.953   3.683  -8.960
   83   1HG   PRO  13          1HG       PRO  13  -7.589   2.946  -9.132
   84   2HG   PRO  13          2HG       PRO  13  -6.274   1.730  -9.115
   85   1HD   PRO  13          1HD       PRO  13  -8.153   2.459  -6.872
   86   2HD   PRO  13          2HD       PRO  13  -7.401   0.911  -7.260
   87    H    ALA  14           H        ALA  14  -3.021   4.425  -6.884
   88    HA   ALA  14           HA       ALA  14  -3.380   5.871  -4.345
   89   1HB   ALA  14          1HB       ALA  14  -1.117   6.707  -4.832
   90   2HB   ALA  14          2HB       ALA  14  -1.166   4.942  -4.943
   91   3HB   ALA  14          3HB       ALA  14  -1.143   5.936  -6.428
   92    H    VAL  15           H        VAL  15  -3.192   8.250  -4.286
   93    HA   VAL  15           HA       VAL  15  -3.747   9.747  -6.744
   94    HB   VAL  15           HB       VAL  15  -5.479   9.643  -4.263
   95   1HG1  VAL  15          1HG1      VAL  15  -5.482  11.931  -6.251
   96   2HG1  VAL  15          2HG1      VAL  15  -6.758  11.599  -5.056
   97   3HG1  VAL  15          3HG1      VAL  15  -5.148  11.996  -4.495
   98   1HG2  VAL  15          1HG2      VAL  15  -6.181   9.606  -7.239
   99   2HG2  VAL  15          2HG2      VAL  15  -6.145   8.187  -6.177
  100   3HG2  VAL  15          3HG2      VAL  15  -7.339   9.460  -5.896
  101    H    GLN  16           H        GLN  16  -3.056  11.854  -6.500
  102    HA   GLN  16           HA       GLN  16  -0.878  12.310  -4.582
  103   1HB   GLN  16          1HB       GLN  16  -1.961  13.865  -6.957
  104   2HB   GLN  16          2HB       GLN  16  -0.886  14.635  -5.776
  105   1HG   GLN  16          1HG       GLN  16   0.831  13.011  -6.121
  106   2HG   GLN  16          2HG       GLN  16  -0.196  12.015  -7.162
  107   1HE2  GLN  16          1HE2      GLN  16   1.671  15.121  -6.956
  108   2HE2  GLN  16          2HE2      GLN  16   1.868  15.167  -8.693
  109    H    GLY  17           H        GLY  17  -3.693  14.372  -5.483
  110   1HA   GLY  17          1HA       GLY  17  -5.361  14.604  -3.504
  111   2HA   GLY  17          2HA       GLY  17  -3.935  15.290  -2.700
  112    HA   PRO  18           HA       PRO  18  -5.955  18.492  -5.494
  113   1HB   PRO  18          1HB       PRO  18  -7.043  20.214  -3.657
  114   2HB   PRO  18          2HB       PRO  18  -7.885  18.753  -4.251
  115   1HG   PRO  18          1HG       PRO  18  -6.327  19.089  -1.676
  116   2HG   PRO  18          2HG       PRO  18  -7.933  18.332  -1.915
  117   1HD   PRO  18          1HD       PRO  18  -5.609  16.876  -1.763
  118   2HD   PRO  18          2HD       PRO  18  -6.981  16.359  -2.772
  119    H    CYS  19           H        CYS  19  -3.769  18.590  -2.757
  120    HA   CYS  19           HA       CYS  19  -2.977  21.328  -3.016
  121   1HB   CYS  19          1HB       CYS  19  -1.637  18.972  -1.630
  122   2HB   CYS  19          2HB       CYS  19  -1.182  20.645  -1.388
  123    H    ARG  20           H        ARG  20  -0.477  21.697  -3.097
  124    HA   ARG  20           HA       ARG  20   0.711  20.426  -5.524
  125   1HB   ARG  20          1HB       ARG  20   0.566  23.355  -4.763
  126   2HB   ARG  20          2HB       ARG  20   1.876  22.744  -5.715
  127   1HG   ARG  20          1HG       ARG  20  -0.453  23.817  -6.699
  128   2HG   ARG  20          2HG       ARG  20   0.779  22.955  -7.573
  129   1HD   ARG  20          1HD       ARG  20  -1.041  21.923  -8.404
  130   2HD   ARG  20          2HD       ARG  20  -0.618  20.801  -7.136
  131    HE   ARG  20           HE       ARG  20  -2.631  21.184  -6.173
  132   1HH1  ARG  20          2HH2      ARG  20  -2.021  23.890  -8.377
  133   2HH1  ARG  20          1HH2      ARG  20  -3.605  24.574  -8.238
  134   1HH2  ARG  20          2HH1      ARG  20  -4.688  22.072  -5.952
  135   2HH2  ARG  20          1HH1      ARG  20  -5.205  23.506  -6.779
  136    H    GLY  21           H        GLY  21   0.940  20.334  -2.413
  137   1HA   GLY  21          1HA       GLY  21   3.890  20.682  -2.104
  138   2HA   GLY  21          2HA       GLY  21   2.729  20.260  -0.802
  139    H    TRP  22           H        TRP  22   5.066  18.478  -1.560
  140    HA   TRP  22           HA       TRP  22   3.612  16.199  -2.663
  141   1HB   TRP  22          1HB       TRP  22   6.346  17.188  -3.541
  142   2HB   TRP  22          2HB       TRP  22   5.600  15.702  -4.059
  143    HD1  TRP  22           HD       TRP  22   6.521  18.564  -5.595
  144    HE1  TRP  22           1HE      TRP  22   4.944  19.575  -7.323
  145    HE3  TRP  22           3HE      TRP  22   2.195  16.098  -4.328
  146    HZ2  TRP  22           2HZ      TRP  22   2.162  19.394  -8.049
  147    HZ3  TRP  22           3HZ      TRP  22   0.080  16.644  -5.485
  148    HH2  TRP  22           HH       TRP  22   0.043  18.251  -7.356
  149    H    GLU  23           H        GLU  23   3.859  14.662  -1.414
  150    HA   GLU  23           HA       GLU  23   5.977  14.396   0.666
  151   1HB   GLU  23          1HB       GLU  23   3.845  15.200   1.532
  152   2HB   GLU  23          2HB       GLU  23   2.949  13.967   0.653
  153   1HG   GLU  23          1HG       GLU  23   2.958  13.354   2.913
  154   2HG   GLU  23          2HG       GLU  23   3.954  12.208   2.032
  155    HA   PRO  24           HA       PRO  24   6.233  10.486  -1.866
  156   1HB   PRO  24          1HB       PRO  24   8.536   9.483  -0.826
  157   2HB   PRO  24          2HB       PRO  24   8.516  10.845  -1.987
  158   1HG   PRO  24          1HG       PRO  24   8.747  10.978   1.035
  159   2HG   PRO  24          2HG       PRO  24   9.740  11.828  -0.191
  160   1HD   PRO  24          1HD       PRO  24   7.633  13.012   1.064
  161   2HD   PRO  24          2HD       PRO  24   8.017  13.378  -0.641
  162    H    ARG  25           H        ARG  25   5.113   8.742  -1.450
  163    HA   ARG  25           HA       ARG  25   5.331   7.408   1.193
  164   1HB   ARG  25          1HB       ARG  25   2.749   8.201  -0.224
  165   2HB   ARG  25          2HB       ARG  25   2.785   6.944   1.010
  166   1HG   ARG  25          1HG       ARG  25   3.619   9.845   1.477
  167   2HG   ARG  25          2HG       ARG  25   2.073   9.132   1.894
  168   1HD   ARG  25          1HD       ARG  25   3.192   7.457   3.329
  169   2HD   ARG  25          2HD       ARG  25   4.762   8.180   2.996
  170    HE   ARG  25           HE       ARG  25   2.612   9.263   4.657
  171   1HH1  ARG  25          2HH2      ARG  25   5.723   9.997   2.985
  172   2HH1  ARG  25          1HH2      ARG  25   5.947  11.473   3.804
  173   1HH2  ARG  25          2HH1      ARG  25   3.043  11.278   5.829
  174   2HH2  ARG  25          1HH1      ARG  25   4.390  12.230   5.326
  175    H    TRP  26           H        TRP  26   4.034   5.180   0.940
  176    HA   TRP  26           HA       TRP  26   4.968   3.952  -1.631
  177   1HB   TRP  26          1HB       TRP  26   4.912   2.941   1.234
  178   2HB   TRP  26          2HB       TRP  26   4.907   1.836  -0.135
  179    HD1  TRP  26           HD       TRP  26   7.157   4.485   1.522
  180    HE1  TRP  26           1HE      TRP  26   9.556   4.192   0.690
  181    HE3  TRP  26           3HE      TRP  26   6.360   0.744  -1.870
  182    HZ2  TRP  26           2HZ      TRP  26  10.952   2.564  -1.312
  183    HZ3  TRP  26           3HZ      TRP  26   8.141   0.115  -3.457
  184    HH2  TRP  26           HH       TRP  26  10.445   0.837  -3.078
  185    H    ALA  27           H        ALA  27   3.397   2.704  -2.769
  186    HA   ALA  27           HA       ALA  27   0.829   2.210  -1.406
  187   1HB   ALA  27          1HB       ALA  27   0.214   4.184  -2.612
  188   2HB   ALA  27          2HB       ALA  27   1.126   3.673  -4.067
  189   3HB   ALA  27          3HB       ALA  27  -0.350   2.832  -3.584
  190    H    TYR  28           H        TYR  28  -0.225   0.396  -2.163
  191    HA   TYR  28           HA       TYR  28   1.441  -1.510  -3.678
  192   1HB   TYR  28          1HB       TYR  28   0.127  -2.277  -1.694
  193   2HB   TYR  28          2HB       TYR  28  -1.332  -1.819  -2.505
  194    HD1  TYR  28           1HD      TYR  28  -2.357  -3.201  -4.222
  195    HD2  TYR  28           2HD      TYR  28   1.526  -4.253  -2.655
  196    HE1  TYR  28           1HE      TYR  28  -2.390  -5.321  -5.487
  197    HE2  TYR  28           2HE      TYR  28   1.503  -6.324  -3.958
  198    HH   TYR  28           HH       TYR  28  -1.292  -7.318  -5.977
  199    H    SER  29           H        SER  29   0.979  -2.187  -5.764
  200    HA   SER  29           HA       SER  29  -1.323  -0.943  -7.138
  201   1HB   SER  29          1HB       SER  29   1.557  -1.112  -7.924
  202   2HB   SER  29          2HB       SER  29   0.361  -0.913  -9.165
  203    HG   SER  29           HG       SER  29  -0.072   0.573  -6.879
  204    HA   PRO  30           HA       PRO  30  -1.916  -5.412  -7.735
  205   1HB   PRO  30          1HB       PRO  30  -4.414  -5.294  -8.873
  206   2HB   PRO  30          2HB       PRO  30  -4.141  -5.149  -7.111
  207   1HG   PRO  30          1HG       PRO  30  -4.550  -2.905  -9.083
  208   2HG   PRO  30          2HG       PRO  30  -5.328  -3.155  -7.489
  209   1HD   PRO  30          1HD       PRO  30  -3.195  -1.514  -7.790
  210   2HD   PRO  30          2HD       PRO  30  -3.368  -2.523  -6.325
  211    H    LEU  31           H        LEU  31  -2.456  -2.778  -9.994
  212    HA   LEU  31           HA       LEU  31  -2.169  -4.177 -12.461
  213   1HB   LEU  31          1HB       LEU  31  -1.937  -1.297 -11.630
  214   2HB   LEU  31          2HB       LEU  31  -1.557  -1.791 -13.276
  215    HG   LEU  31           HG       LEU  31  -4.193  -2.553 -11.961
  216   1HD1  LEU  31          1HD1      LEU  31  -3.972  -0.124 -11.955
  217   2HD1  LEU  31          2HD1      LEU  31  -3.552  -0.143 -13.689
  218   3HD1  LEU  31          3HD1      LEU  31  -5.175  -0.650 -13.149
  219   1HD2  LEU  31          1HD2      LEU  31  -4.965  -2.765 -14.322
  220   2HD2  LEU  31          2HD2      LEU  31  -3.322  -2.395 -14.892
  221   3HD2  LEU  31          3HD2      LEU  31  -3.646  -3.881 -13.981
  222    H    LEU  32           H        LEU  32   0.196  -3.547 -10.041
  223    HA   LEU  32           HA       LEU  32   2.393  -4.139 -11.963
  224   1HB   LEU  32          1HB       LEU  32   2.177  -2.399  -9.517
  225   2HB   LEU  32          2HB       LEU  32   3.733  -3.021  -9.962
  226    HG   LEU  32           HG       LEU  32   2.031  -1.403 -11.912
  227   1HD1  LEU  32          1HD1      LEU  32   3.542   0.496 -11.386
  228   2HD1  LEU  32          2HD1      LEU  32   2.534   0.020 -10.020
  229   3HD1  LEU  32          3HD1      LEU  32   4.256  -0.455 -10.062
  230   1HD2  LEU  32          1HD2      LEU  32   4.197  -1.085 -13.095
  231   2HD2  LEU  32          2HD2      LEU  32   4.999  -2.145 -11.909
  232   3HD2  LEU  32          3HD2      LEU  32   3.758  -2.787 -13.002
  233    H    GLN  33           H        GLN  33   0.379  -5.330  -9.568
  234    HA   GLN  33           HA       GLN  33   0.372  -6.812  -7.985
  235   1HB   GLN  33          1HB       GLN  33   0.812  -8.092 -10.160
  236   2HB   GLN  33          2HB       GLN  33   2.481  -8.267  -9.627
  237   1HG   GLN  33          1HG       GLN  33   0.745  -8.998  -7.449
  238   2HG   GLN  33          2HG       GLN  33   0.100  -9.766  -8.888
  239   1HE2  GLN  33          1HE2      GLN  33   3.337  -9.217  -7.393
  240   2HE2  GLN  33          2HE2      GLN  33   3.936 -10.856  -7.743
  241    H    GLN  34           H        GLN  34   1.980  -4.564  -7.344
  242    HA   GLN  34           HA       GLN  34   3.859  -5.675  -5.379
  243   1HB   GLN  34          1HB       GLN  34   4.934  -5.674  -7.835
  244   2HB   GLN  34          2HB       GLN  34   5.033  -3.924  -7.538
  245   1HG   GLN  34          1HG       GLN  34   6.508  -4.242  -5.683
  246   2HG   GLN  34          2HG       GLN  34   6.363  -6.006  -5.821
  247   1HE2  GLN  34          1HE2      GLN  34   6.514  -6.055  -8.805
  248   2HE2  GLN  34          2HE2      GLN  34   8.192  -5.682  -9.166
  249    H    CYS  35           H        CYS  35   5.021  -3.856  -4.280
  250    HA   CYS  35           HA       CYS  35   3.357  -1.368  -4.231
  251   1HB   CYS  35          1HB       CYS  35   5.397  -2.364  -2.247
  252   2HB   CYS  35          2HB       CYS  35   4.621  -0.798  -2.173
  253    H    HIS  36           H        HIS  36   4.206   0.596  -4.432
  254    HA   HIS  36           HA       HIS  36   7.070   0.893  -5.183
  255   1HB   HIS  36          1HB       HIS  36   6.634   2.011  -7.273
  256   2HB   HIS  36          2HB       HIS  36   5.916   0.411  -7.298
  257    HD1  HIS  36           1HD      HIS  36   4.858   4.128  -6.979
  258    HD2  HIS  36           2HD      HIS  36   3.187   0.280  -7.719
  259    HE1  HIS  36           1HE      HIS  36   2.421   4.474  -7.691
  260    HE2  HIS  36           2HE      HIS  36   1.458   2.073  -8.092
  261    HA   PRO  37           HA       PRO  37   6.610   4.784  -3.032
  262   1HB   PRO  37          1HB       PRO  37   8.348   6.146  -5.042
  263   2HB   PRO  37          2HB       PRO  37   8.603   5.961  -3.283
  264   1HG   PRO  37          1HG       PRO  37  10.065   4.560  -5.146
  265   2HG   PRO  37          2HG       PRO  37   9.616   3.875  -3.559
  266   1HD   PRO  37          1HD       PRO  37   8.311   3.410  -6.242
  267   2HD   PRO  37          2HD       PRO  37   8.693   2.238  -4.952
  268    H    PHE  38           H        PHE  38   5.522   7.048  -3.440
  269    HA   PHE  38           HA       PHE  38   4.865   7.639  -6.181
  270   1HB   PHE  38          1HB       PHE  38   2.536   7.482  -6.106
  271   2HB   PHE  38          2HB       PHE  38   3.085   5.936  -5.511
  272    HD1  PHE  38           1HD      PHE  38   3.153   5.666  -2.837
  273    HD2  PHE  38           2HD      PHE  38   0.873   8.666  -4.946
  274    HE1  PHE  38           1HE      PHE  38   1.558   5.865  -0.929
  275    HE2  PHE  38           2HE      PHE  38  -0.657   8.844  -3.033
  276    HZ   PHE  38           HZ       PHE  38  -0.340   7.413  -1.033
  277    H    VAL  39           H        VAL  39   3.651   9.735  -6.260
  278    HA   VAL  39           HA       VAL  39   4.624  11.512  -4.115
  279    HB   VAL  39           HB       VAL  39   3.311  12.190  -6.814
  280   1HG1  VAL  39          1HG1      VAL  39   2.932  13.925  -5.141
  281   2HG1  VAL  39          2HG1      VAL  39   4.631  13.873  -4.657
  282   3HG1  VAL  39          3HG1      VAL  39   4.177  14.481  -6.269
  283   1HG2  VAL  39          1HG2      VAL  39   5.593  12.945  -7.459
  284   2HG2  VAL  39          2HG2      VAL  39   6.242  12.293  -5.940
  285   3HG2  VAL  39          3HG2      VAL  39   5.559  11.204  -7.169
  286    H    TYR  40           H        TYR  40   3.241  12.038  -2.537
  287    HA   TYR  40           HA       TYR  40   0.317  11.848  -2.936
  288   1HB   TYR  40          1HB       TYR  40   0.864  10.113  -1.461
  289   2HB   TYR  40          2HB       TYR  40   2.143  10.996  -0.689
  290    HD1  TYR  40           1HD      TYR  40   1.790  11.660   1.450
  291    HD2  TYR  40           2HD      TYR  40  -1.582  11.455  -1.243
  292    HE1  TYR  40           1HE      TYR  40   0.316  12.407   3.264
  293    HE2  TYR  40           2HE      TYR  40  -3.055  12.288   0.563
  294    HH   TYR  40           HH       TYR  40  -2.977  13.386   2.695
  295    H    GLY  41           H        GLY  41  -0.751  13.672  -1.586
  296   1HA   GLY  41          1HA       GLY  41   0.875  16.106  -1.981
  297   2HA   GLY  41          2HA       GLY  41  -0.862  15.994  -1.919
  298    H    GLY  42           H        GLY  42   0.154  14.227   0.708
  299   1HA   GLY  42          1HA       GLY  42   0.417  14.595   2.935
  300   2HA   GLY  42          2HA       GLY  42   0.797  16.292   2.656
  301    H    CYS  43           H        CYS  43  -1.660  16.904   1.224
  302    HA   CYS  43           HA       CYS  43  -3.661  16.929   3.361
  303   1HB   CYS  43          1HB       CYS  43  -4.733  18.592   2.096
  304   2HB   CYS  43          2HB       CYS  43  -3.023  18.941   2.036
  305    H    GLU  44           H        GLU  44  -6.009  16.751   1.975
  306    HA   GLU  44           HA       GLU  44  -6.891  14.254   2.066
  307   1HB   GLU  44          1HB       GLU  44  -7.718  16.083  -0.193
  308   2HB   GLU  44          2HB       GLU  44  -8.624  14.752   0.519
  309   1HG   GLU  44          1HG       GLU  44  -9.595  16.518   1.573
  310   2HG   GLU  44          2HG       GLU  44  -8.392  16.078   2.770
  311    H    GLY  45           H        GLY  45  -6.811  12.302   0.945
  312   1HA   GLY  45          1HA       GLY  45  -6.173  11.961  -1.792
  313   2HA   GLY  45          2HA       GLY  45  -4.784  11.555  -0.764
  314    H    ASN  46           H        ASN  46  -5.335   9.252  -1.605
  315    HA   ASN  46           HA       ASN  46  -7.805   8.149  -0.366
  316   1HB   ASN  46          1HB       ASN  46  -5.849   6.553  -2.026
  317   2HB   ASN  46          2HB       ASN  46  -7.472   6.135  -1.578
  318   1HD2  ASN  46          1HD2      ASN  46  -7.033   5.775  -4.244
  319   2HD2  ASN  46          2HD2      ASN  46  -7.824   7.101  -5.065
  320    H    GLY  47           H        GLY  47  -7.358   5.803   0.355
  321   1HA   GLY  47          1HA       GLY  47  -5.764   6.092   2.820
  322   2HA   GLY  47          2HA       GLY  47  -6.914   4.798   2.459
  323    H    ASN  48           H        ASN  48  -5.168   4.776  -0.283
  324    HA   ASN  48           HA       ASN  48  -3.443   2.568   0.552
  325   1HB   ASN  48          1HB       ASN  48  -4.592   2.598  -1.649
  326   2HB   ASN  48          2HB       ASN  48  -3.701   3.969  -2.160
  327   1HD2  ASN  48          1HD2      ASN  48  -3.551   1.629  -3.585
  328   2HD2  ASN  48          2HD2      ASN  48  -2.099   0.708  -3.366
  329    H    ASN  49           H        ASN  49  -2.251   3.749   2.155
  330    HA   ASN  49           HA       ASN  49  -0.046   5.416   1.044
  331   1HB   ASN  49          1HB       ASN  49  -2.086   6.767   1.849
  332   2HB   ASN  49          2HB       ASN  49  -1.761   6.159   3.466
  333   1HD2  ASN  49          1HD2      ASN  49  -1.461   8.823   1.689
  334   2HD2  ASN  49          2HD2      ASN  49  -0.007   9.516   2.334
  335    H    PHE  50           H        PHE  50   1.645   4.146   1.604
  336    HA   PHE  50           HA       PHE  50   1.721   2.899   4.267
  337   1HB   PHE  50          1HB       PHE  50   2.936   1.919   1.667
  338   2HB   PHE  50          2HB       PHE  50   3.243   1.221   3.178
  339    HD1  PHE  50           1HD      PHE  50   1.594  -0.121   4.428
  340    HD2  PHE  50           2HD      PHE  50   0.450   1.867   0.764
  341    HE1  PHE  50           1HE      PHE  50  -0.666  -1.137   4.557
  342    HE2  PHE  50           2HE      PHE  50  -1.790   0.814   0.922
  343    HZ   PHE  50           HZ       PHE  50  -2.383  -0.604   2.829
  344    H    HIS  51           H        HIS  51   3.808   2.526   5.055
  345    HA   HIS  51           HA       HIS  51   5.198   5.095   5.177
  346   1HB   HIS  51          1HB       HIS  51   5.653   2.660   6.909
  347   2HB   HIS  51          2HB       HIS  51   5.899   4.343   7.294
  348    HD1  HIS  51           1HD      HIS  51   3.237   5.756   7.263
  349    HD2  HIS  51           2HD      HIS  51   3.437   1.561   7.257
  350    HE1  HIS  51           1HE      HIS  51   0.813   4.914   7.544
  351    HE2  HIS  51           2HE      HIS  51   0.937   2.351   7.615
  352    H    SER  52           H        SER  52   5.689   1.894   3.941
  353    HA   SER  52           HA       SER  52   8.398   2.491   3.032
  354   1HB   SER  52          1HB       SER  52   9.274   0.414   4.377
  355   2HB   SER  52          2HB       SER  52   9.129   1.960   5.213
  356    HG   SER  52           HG       SER  52   8.206  -0.028   6.285
  357    H    ARG  53           H        ARG  53   9.306   0.573   1.955
  358    HA   ARG  53           HA       ARG  53   7.473  -0.782   0.192
  359   1HB   ARG  53          1HB       ARG  53   9.828  -0.321  -0.367
  360   2HB   ARG  53          2HB       ARG  53  10.366  -1.353   0.951
  361   1HG   ARG  53          1HG       ARG  53  10.519  -2.475  -1.144
  362   2HG   ARG  53          2HG       ARG  53   9.369  -3.320  -0.117
  363   1HD   ARG  53          1HD       ARG  53   7.539  -2.145  -1.470
  364   2HD   ARG  53          2HD       ARG  53   8.782  -1.538  -2.516
  365    HE   ARG  53           HE       ARG  53   8.300  -4.452  -1.998
  366   1HH1  ARG  53          2HH2      ARG  53   8.339  -2.147  -4.626
  367   2HH1  ARG  53          1HH2      ARG  53   9.018  -3.294  -5.728
  368   1HH2  ARG  53          2HH1      ARG  53   8.514  -5.849  -3.499
  369   2HH2  ARG  53          1HH1      ARG  53   9.040  -5.478  -5.136
  370    H    GLU  54           H        GLU  54   9.363  -1.809   2.973
  371    HA   GLU  54           HA       GLU  54   8.588  -4.403   3.447
  372   1HB   GLU  54          1HB       GLU  54  10.344  -3.470   4.602
  373   2HB   GLU  54          2HB       GLU  54   9.603  -1.970   4.921
  374   1HG   GLU  54          1HG       GLU  54   8.668  -4.456   6.407
  375   2HG   GLU  54          2HG       GLU  54  10.198  -3.681   6.844
  376    H    SER  55           H        SER  55   7.247  -1.752   5.315
  377    HA   SER  55           HA       SER  55   5.151  -3.270   6.233
  378   1HB   SER  55          1HB       SER  55   3.935  -1.187   6.888
  379   2HB   SER  55          2HB       SER  55   5.650  -1.132   7.310
  380    HG   SER  55           HG       SER  55   6.050   0.247   5.708
  381    H    CYS  56           H        CYS  56   5.145  -1.639   3.171
  382    HA   CYS  56           HA       CYS  56   2.319  -2.044   2.723
  383   1HB   CYS  56          1HB       CYS  56   4.127  -0.421   1.551
  384   2HB   CYS  56          2HB       CYS  56   4.649  -1.823   0.710
  385    H    GLU  57           H        GLU  57   5.208  -3.815   1.664
  386    HA   GLU  57           HA       GLU  57   3.426  -5.697   0.319
  387   1HB   GLU  57          1HB       GLU  57   6.428  -5.761   0.740
  388   2HB   GLU  57          2HB       GLU  57   5.495  -7.079  -0.022
  389   1HG   GLU  57          1HG       GLU  57   4.394  -5.277  -1.502
  390   2HG   GLU  57          2HG       GLU  57   5.603  -4.152  -0.879
  391    H    ASP  58           H        ASP  58   4.806  -5.548   3.629
  392    HA   ASP  58           HA       ASP  58   3.801  -8.263   4.055
  393   1HB   ASP  58          1HB       ASP  58   5.639  -7.175   5.454
  394   2HB   ASP  58          2HB       ASP  58   4.335  -6.311   6.293
  395    H    ALA  59           H        ALA  59   2.289  -4.883   4.099
  396    HA   ALA  59           HA       ALA  59   0.047  -5.870   5.638
  397   1HB   ALA  59          1HB       ALA  59   0.554  -3.484   5.583
  398   2HB   ALA  59          2HB       ALA  59   0.393  -3.453   3.807
  399   3HB   ALA  59          3HB       ALA  59  -1.023  -3.774   4.827
  400    H    CYS  60           H        CYS  60   0.729  -5.349   2.135
  401    HA   CYS  60           HA       CYS  60  -1.582  -7.083   1.493
  402   1HB   CYS  60          1HB       CYS  60  -0.976  -4.345   0.393
  403   2HB   CYS  60          2HB       CYS  60  -1.982  -5.535  -0.426
  404    HA   PRO  61           HA       PRO  61   1.716  -8.565  -1.261
  405   1HB   PRO  61          1HB       PRO  61   1.880 -11.125  -0.365
  406   2HB   PRO  61          2HB       PRO  61   2.623  -9.808   0.574
  407   1HG   PRO  61          1HG       PRO  61  -0.054 -11.154   1.047
  408   2HG   PRO  61          2HG       PRO  61   1.221 -10.755   2.241
  409   1HD   PRO  61          1HD       PRO  61  -1.018  -9.184   1.690
  410   2HD   PRO  61          2HD       PRO  61   0.498  -8.542   2.378
  411    H    VAL  62           H        VAL  62   1.156 -11.031  -2.266
  412    HA   VAL  62           HA       VAL  62  -1.626 -10.834  -3.350
  413    HB   VAL  62           HB       VAL  62   0.436 -12.889  -4.201
  414   1HG1  VAL  62          1HG1      VAL  62  -1.836 -13.076  -5.175
  415   2HG1  VAL  62          2HG1      VAL  62  -1.734 -11.406  -5.750
  416   3HG1  VAL  62          3HG1      VAL  62  -0.660 -12.651  -6.418
  417   1HG2  VAL  62          1HG2      VAL  62   1.263 -11.374  -5.978
  418   2HG2  VAL  62          2HG2      VAL  62   0.388 -10.022  -5.225
  419   3HG2  VAL  62          3HG2      VAL  62   1.738 -10.813  -4.382
  420    H    VAL  63           H        VAL  63  -2.519 -13.411  -3.395
  421    HA   VAL  63           HA       VAL  63  -3.486 -14.230  -1.181
  422    HB   VAL  63           HB       VAL  63  -2.169 -16.502  -2.486
  423   1HG1  VAL  63          1HG1      VAL  63  -4.323 -17.619  -2.197
  424   2HG1  VAL  63          2HG1      VAL  63  -3.691 -16.969  -0.677
  425   3HG1  VAL  63          3HG1      VAL  63  -5.000 -16.119  -1.531
  426   1HG2  VAL  63          1HG2      VAL  63  -2.802 -15.194  -4.480
  427   2HG2  VAL  63          2HG2      VAL  63  -3.969 -16.502  -4.300
  428   3HG2  VAL  63          3HG2      VAL  63  -4.405 -14.860  -3.787
  429    H    ASP  64           H        ASP  64  -3.038 -14.627   0.631
  430    HA   ASP  64           HA       ASP  64  -0.687 -13.733   1.856
  431   1HB   ASP  64          1HB       ASP  64  -2.648 -13.575   3.139
  432   2HB   ASP  64          2HB       ASP  64  -2.871 -15.319   3.149
  433    H    HIS  65           H        HIS  65   1.174 -14.449   1.949
  434    HA   HIS  65           HA       HIS  65   1.916 -17.185   1.544
  435   1HB   HIS  65          1HB       HIS  65   3.611 -14.745   2.291
  436   2HB   HIS  65          2HB       HIS  65   4.200 -16.253   1.614
  437    HD1  HIS  65           1HD      HIS  65   1.256 -15.313  -0.520
  438    HD2  HIS  65           2HD      HIS  65   5.217 -13.888   0.066
  439    HE1  HIS  65           1HE      HIS  65   1.788 -13.899  -2.503
  440    HE2  HIS  65           2HE      HIS  65   4.213 -13.017  -2.199
  441    H    HIS  66           H        HIS  66   0.412 -17.617   3.255
  442    HA   HIS  66           HA       HIS  66  -0.154 -16.758   5.548
  443   1HB   HIS  66          1HB       HIS  66   0.185 -19.659   4.902
  444   2HB   HIS  66          2HB       HIS  66  -0.522 -19.103   6.420
  445    HD1  HIS  66           1HD      HIS  66  -2.426 -16.797   5.667
  446    HD2  HIS  66           2HD      HIS  66  -1.608 -19.816   2.873
  447    HE1  HIS  66           1HE      HIS  66  -4.338 -16.825   4.069
  448    HE2  HIS  66           2HE      HIS  66  -3.837 -18.384   2.329
  449    H    HIS  67           H        HIS  67   1.041 -15.524   6.402
  450    HA   HIS  67           HA       HIS  67   3.470 -15.351   7.437
  451   1HB   HIS  67          1HB       HIS  67   0.821 -14.457   8.643
  452   2HB   HIS  67          2HB       HIS  67   2.357 -14.049   9.380
  453    HD1  HIS  67           1HD      HIS  67   0.699 -13.349   5.778
  454    HD2  HIS  67           2HD      HIS  67   3.404 -11.794   8.715
  455    HE1  HIS  67           1HE      HIS  67   1.317 -10.944   5.134
  456    HE2  HIS  67           2HE      HIS  67   3.004 -10.085   6.865
  457    H    HIS  68           H        HIS  68   4.525 -17.082   8.220
  458    HA   HIS  68           HA       HIS  68   3.543 -19.272   9.467
  459   1HB   HIS  68          1HB       HIS  68   5.931 -18.825   8.588
  460   2HB   HIS  68          2HB       HIS  68   6.301 -18.227  10.208
  461    HD1  HIS  68           1HD      HIS  68   5.300 -21.467   8.353
  462    HD2  HIS  68           2HD      HIS  68   6.309 -20.122  12.245
  463    HE1  HIS  68           1HE      HIS  68   5.410 -23.527   9.888
  464    HE2  HIS  68           2HE      HIS  68   5.902 -22.724  12.168
  465    H    HIS  69           H        HIS  69   3.016 -19.999  11.442
  466    HA   HIS  69           HA       HIS  69   3.562 -18.464  13.876
  467   1HB   HIS  69          1HB       HIS  69   0.723 -19.117  12.952
  468   2HB   HIS  69          2HB       HIS  69   1.159 -18.990  14.656
  469    HD1  HIS  69           1HD      HIS  69   1.269 -16.676  11.490
  470    HD2  HIS  69           2HD      HIS  69   1.242 -16.601  15.733
  471    HE1  HIS  69           1HE      HIS  69   1.029 -14.226  12.185
  472    HE2  HIS  69           2HE      HIS  69   1.029 -14.176  14.758
  473    H    HIS  70           H        HIS  70   1.375 -21.272  13.180
  474    HA   HIS  70           HA       HIS  70   3.187 -23.024  14.701
  475   1HB   HIS  70          1HB       HIS  70   0.753 -23.564  14.681
  476   2HB   HIS  70          2HB       HIS  70   0.772 -23.615  12.910
  477    HD1  HIS  70           1HD      HIS  70   3.768 -25.357  13.446
  478    HD2  HIS  70           2HD      HIS  70  -0.322 -26.191  14.107
  479    HE1  HIS  70           1HE      HIS  70   3.548 -27.947  13.567
  480    HE2  HIS  70           2HE      HIS  70   1.036 -28.433  13.944
  Start of MODEL   15
    1   1H    GLU   1          1H        GLU   1   1.590  -7.804   7.382
    2   2H    GLU   1          2H        GLU   1   0.638  -8.098   8.697
    3   3H    GLU   1          H         GLU   1  -0.010  -7.414   7.360
    4    HA   GLU   1           HA       GLU   1   0.232  -9.273   6.058
    5   1HB   GLU   1          1HB       GLU   1   2.454  -9.886   7.309
    6   2HB   GLU   1          2HB       GLU   1   1.432 -10.827   8.371
    7   1HG   GLU   1          1HG       GLU   1   0.518 -11.816   6.071
    8   2HG   GLU   1          2HG       GLU   1   1.988 -11.147   5.402
    9    H    ALA   2           H        ALA   2  -1.893  -8.179   7.580
   10    HA   ALA   2           HA       ALA   2  -3.634 -10.475   7.856
   11   1HB   ALA   2          1HB       ALA   2  -2.716 -10.279  10.167
   12   2HB   ALA   2          2HB       ALA   2  -3.217  -8.569  10.205
   13   3HB   ALA   2          3HB       ALA   2  -4.437  -9.856  10.107
   14    H    GLU   3           H        GLU   3  -3.109  -7.928   6.214
   15    HA   GLU   3           HA       GLU   3  -5.547  -6.345   6.714
   16   1HB   GLU   3          1HB       GLU   3  -3.190  -5.707   4.893
   17   2HB   GLU   3          2HB       GLU   3  -4.448  -4.628   5.459
   18   1HG   GLU   3          1HG       GLU   3  -2.479  -4.086   6.684
   19   2HG   GLU   3          2HG       GLU   3  -3.570  -4.889   7.812
   20    H    ALA   4           H        ALA   4  -3.738  -7.882   4.032
   21    HA   ALA   4           HA       ALA   4  -5.626  -7.535   1.970
   22   1HB   ALA   4          1HB       ALA   4  -4.225  -9.143   0.767
   23   2HB   ALA   4          2HB       ALA   4  -3.209  -8.049   1.719
   24   3HB   ALA   4          3HB       ALA   4  -3.506  -9.703   2.297
   25    H    GLU   5           H        GLU   5  -6.588  -9.015   4.540
   26    HA   GLU   5           HA       GLU   5  -7.449 -11.647   3.633
   27   1HB   GLU   5          1HB       GLU   5  -8.618 -10.151   6.007
   28   2HB   GLU   5          2HB       GLU   5  -8.415 -11.889   5.782
   29   1HG   GLU   5          1HG       GLU   5  -6.360  -9.792   6.469
   30   2HG   GLU   5          2HG       GLU   5  -6.776 -11.240   7.391
   31    H    PHE   6           H        PHE   6  -8.516  -8.440   3.433
   32    HA   PHE   6           HA       PHE   6 -11.022  -9.063   2.055
   33   1HB   PHE   6          1HB       PHE   6 -11.631  -8.418   4.380
   34   2HB   PHE   6          2HB       PHE   6 -10.633  -6.976   4.251
   35    HD1  PHE   6           1HD      PHE   6 -13.599  -8.672   2.671
   36    HD2  PHE   6           2HD      PHE   6 -11.588  -4.937   3.483
   37    HE1  PHE   6           1HE      PHE   6 -15.494  -7.422   1.660
   38    HE2  PHE   6           2HE      PHE   6 -13.462  -3.704   2.465
   39    HZ   PHE   6           HZ       PHE   6 -15.428  -4.935   1.549
   40    H    THR   7           H        THR   7 -11.562  -6.557   1.154
   41    HA   THR   7           HA       THR   7  -9.234  -5.945  -0.558
   42    HB   THR   7           HB       THR   7 -11.983  -4.634  -0.398
   43    HG1  THR   7           1HG      THR   7 -11.709  -6.931  -1.058
   44   1HG2  THR   7          1HG2      THR   7  -9.832  -4.521  -2.560
   45   2HG2  THR   7          2HG2      THR   7 -11.414  -3.717  -2.615
   46   3HG2  THR   7          3HG2      THR   7 -10.196  -3.197  -1.439
   47    H    ASP   8           H        ASP   8  -7.699  -5.203   0.950
   48    HA   ASP   8           HA       ASP   8  -8.268  -2.990   2.754
   49   1HB   ASP   8          1HB       ASP   8  -6.447  -4.473   3.314
   50   2HB   ASP   8          2HB       ASP   8  -5.696  -4.253   1.726
   51    H    ALA   9           H        ALA   9  -6.985  -0.915   2.440
   52    HA   ALA   9           HA       ALA   9  -7.780   0.506   0.080
   53   1HB   ALA   9          1HB       ALA   9  -5.511   1.180   2.000
   54   2HB   ALA   9          2HB       ALA   9  -6.349   2.270   0.877
   55   3HB   ALA   9          3HB       ALA   9  -7.226   1.599   2.267
   56    H    CYS  10           H        CYS  10  -4.991  -1.585   0.719
   57    HA   CYS  10           HA       CYS  10  -3.126  -0.599  -1.104
   58   1HB   CYS  10          1HB       CYS  10  -2.132  -2.741  -0.922
   59   2HB   CYS  10          2HB       CYS  10  -2.946  -2.480   0.588
   60    H    VAL  11           H        VAL  11  -6.160  -2.336  -1.791
   61    HA   VAL  11           HA       VAL  11  -5.429  -2.944  -4.546
   62    HB   VAL  11           HB       VAL  11  -8.159  -2.993  -3.203
   63   1HG1  VAL  11          1HG1      VAL  11  -7.100  -4.610  -5.566
   64   2HG1  VAL  11          2HG1      VAL  11  -8.721  -4.724  -4.852
   65   3HG1  VAL  11          3HG1      VAL  11  -8.235  -3.245  -5.681
   66   1HG2  VAL  11          1HG2      VAL  11  -5.981  -5.136  -3.262
   67   2HG2  VAL  11          2HG2      VAL  11  -6.736  -4.400  -1.832
   68   3HG2  VAL  11          3HG2      VAL  11  -7.675  -5.472  -2.856
   69    H    LEU  12           H        LEU  12  -6.705  -0.209  -2.875
   70    HA   LEU  12           HA       LEU  12  -8.184   0.979  -5.033
   71   1HB   LEU  12          1HB       LEU  12  -9.128   1.579  -3.280
   72   2HB   LEU  12          2HB       LEU  12  -7.753   1.513  -2.181
   73    HG   LEU  12           HG       LEU  12  -7.228   3.872  -3.047
   74   1HD1  LEU  12          1HD1      LEU  12  -9.495   4.994  -3.856
   75   2HD1  LEU  12          2HD1      LEU  12  -8.462   4.216  -5.047
   76   3HD1  LEU  12          3HD1      LEU  12  -9.914   3.381  -4.429
   77   1HD2  LEU  12          1HD2      LEU  12  -9.832   3.193  -1.611
   78   2HD2  LEU  12          2HD2      LEU  12  -8.229   3.395  -0.889
   79   3HD2  LEU  12          3HD2      LEU  12  -9.077   4.791  -1.584
   80    HA   PRO  13           HA       PRO  13  -4.650   2.770  -7.074
   81   1HB   PRO  13          1HB       PRO  13  -6.672   4.897  -7.750
   82   2HB   PRO  13          2HB       PRO  13  -5.517   4.074  -8.836
   83   1HG   PRO  13          1HG       PRO  13  -8.161   3.367  -8.795
   84   2HG   PRO  13          2HG       PRO  13  -6.870   2.139  -8.977
   85   1HD   PRO  13          1HD       PRO  13  -8.514   2.747  -6.524
   86   2HD   PRO  13          2HD       PRO  13  -7.829   1.220  -7.077
   87    H    ALA  14           H        ALA  14  -3.380   4.727  -6.921
   88    HA   ALA  14           HA       ALA  14  -3.650   6.108  -4.307
   89   1HB   ALA  14          1HB       ALA  14  -1.345   6.837  -4.751
   90   2HB   ALA  14          2HB       ALA  14  -1.470   5.075  -4.840
   91   3HB   ALA  14          3HB       ALA  14  -1.369   6.046  -6.338
   92    H    VAL  15           H        VAL  15  -3.286   8.497  -4.304
   93    HA   VAL  15           HA       VAL  15  -3.805   9.965  -6.781
   94    HB   VAL  15           HB       VAL  15  -5.528   9.996  -4.284
   95   1HG1  VAL  15          1HG1      VAL  15  -6.733  11.975  -5.150
   96   2HG1  VAL  15          2HG1      VAL  15  -5.109  12.325  -4.603
   97   3HG1  VAL  15          3HG1      VAL  15  -5.448  12.210  -6.356
   98   1HG2  VAL  15          1HG2      VAL  15  -7.406   9.848  -5.906
   99   2HG2  VAL  15          2HG2      VAL  15  -6.245   9.872  -7.255
  100   3HG2  VAL  15          3HG2      VAL  15  -6.284   8.506  -6.124
  101    H    GLN  16           H        GLN  16  -3.030  12.082  -6.553
  102    HA   GLN  16           HA       GLN  16  -0.824  12.441  -4.645
  103   1HB   GLN  16          1HB       GLN  16  -1.873  14.080  -6.990
  104   2HB   GLN  16          2HB       GLN  16  -0.749  14.772  -5.811
  105   1HG   GLN  16          1HG       GLN  16   0.856  12.991  -6.207
  106   2HG   GLN  16          2HG       GLN  16  -0.218  12.215  -7.376
  107   1HE2  GLN  16          1HE2      GLN  16   1.493  15.425  -6.737
  108   2HE2  GLN  16          2HE2      GLN  16   1.953  15.541  -8.419
  109    H    GLY  17           H        GLY  17  -3.574  14.590  -5.522
  110   1HA   GLY  17          1HA       GLY  17  -5.243  14.925  -3.606
  111   2HA   GLY  17          2HA       GLY  17  -3.812  15.459  -2.706
  112    HA   PRO  18           HA       PRO  18  -5.522  18.859  -5.500
  113   1HB   PRO  18          1HB       PRO  18  -6.837  20.493  -3.744
  114   2HB   PRO  18          2HB       PRO  18  -7.579  19.024  -4.444
  115   1HG   PRO  18          1HG       PRO  18  -6.258  19.327  -1.729
  116   2HG   PRO  18          2HG       PRO  18  -7.836  18.572  -2.123
  117   1HD   PRO  18          1HD       PRO  18  -5.541  17.105  -1.807
  118   2HD   PRO  18          2HD       PRO  18  -6.809  16.631  -2.964
  119    H    CYS  19           H        CYS  19  -3.482  18.763  -2.726
  120    HA   CYS  19           HA       CYS  19  -2.757  21.540  -2.610
  121   1HB   CYS  19          1HB       CYS  19  -1.518  19.031  -1.419
  122   2HB   CYS  19          2HB       CYS  19  -0.947  20.654  -1.058
  123    H    ARG  20           H        ARG  20  -0.114  21.785  -2.519
  124    HA   ARG  20           HA       ARG  20   1.016  20.766  -5.055
  125   1HB   ARG  20          1HB       ARG  20   0.790  23.676  -4.258
  126   2HB   ARG  20          2HB       ARG  20   2.115  23.082  -5.235
  127   1HG   ARG  20          1HG       ARG  20   0.865  23.283  -7.056
  128   2HG   ARG  20          2HG       ARG  20  -0.153  21.968  -6.516
  129   1HD   ARG  20          1HD       ARG  20  -0.580  24.897  -5.824
  130   2HD   ARG  20          2HD       ARG  20  -1.320  24.083  -7.205
  131    HE   ARG  20           HE       ARG  20  -2.305  22.475  -5.466
  132   1HH1  ARG  20          2HH2      ARG  20  -1.882  25.964  -4.917
  133   2HH1  ARG  20          1HH2      ARG  20  -3.295  26.133  -3.936
  134   1HH2  ARG  20          2HH1      ARG  20  -4.217  22.720  -4.258
  135   2HH2  ARG  20          1HH1      ARG  20  -4.654  24.208  -3.500
  136    H    GLY  21           H        GLY  21   1.280  20.495  -2.036
  137   1HA   GLY  21          1HA       GLY  21   4.244  20.802  -1.725
  138   2HA   GLY  21          2HA       GLY  21   3.091  20.419  -0.399
  139    H    TRP  22           H        TRP  22   5.324  18.522  -1.273
  140    HA   TRP  22           HA       TRP  22   3.683  16.355  -2.348
  141   1HB   TRP  22          1HB       TRP  22   6.396  17.229  -3.379
  142   2HB   TRP  22          2HB       TRP  22   5.556  15.779  -3.863
  143    HD1  TRP  22           HD       TRP  22   6.403  18.757  -5.336
  144    HE1  TRP  22           1HE      TRP  22   4.703  19.841  -6.896
  145    HE3  TRP  22           3HE      TRP  22   2.212  16.141  -3.946
  146    HZ2  TRP  22           2HZ      TRP  22   1.864  19.662  -7.440
  147    HZ3  TRP  22           3HZ      TRP  22   0.015  16.706  -4.928
  148    HH2  TRP  22           HH       TRP  22  -0.173  18.440  -6.681
  149    H    GLU  23           H        GLU  23   3.838  14.805  -1.151
  150    HA   GLU  23           HA       GLU  23   5.953  14.336   0.884
  151   1HB   GLU  23          1HB       GLU  23   3.811  15.153   1.745
  152   2HB   GLU  23          2HB       GLU  23   2.914  13.960   0.814
  153   1HG   GLU  23          1HG       GLU  23   2.893  13.267   3.050
  154   2HG   GLU  23          2HG       GLU  23   3.896  12.146   2.145
  155    HA   PRO  24           HA       PRO  24   6.115  10.531  -1.828
  156   1HB   PRO  24          1HB       PRO  24   8.417   9.461  -0.870
  157   2HB   PRO  24          2HB       PRO  24   8.405  10.881  -1.962
  158   1HG   PRO  24          1HG       PRO  24   8.674  10.857   1.060
  159   2HG   PRO  24          2HG       PRO  24   9.663  11.754  -0.132
  160   1HD   PRO  24          1HD       PRO  24   7.582  12.897   1.211
  161   2HD   PRO  24          2HD       PRO  24   7.966  13.355  -0.472
  162    H    ARG  25           H        ARG  25   4.982   8.778  -1.457
  163    HA   ARG  25           HA       ARG  25   5.234   7.365   1.141
  164   1HB   ARG  25          1HB       ARG  25   2.629   8.200  -0.209
  165   2HB   ARG  25          2HB       ARG  25   2.690   6.915   0.993
  166   1HG   ARG  25          1HG       ARG  25   3.522   9.808   1.521
  167   2HG   ARG  25          2HG       ARG  25   1.992   9.076   1.953
  168   1HD   ARG  25          1HD       ARG  25   3.155   7.359   3.311
  169   2HD   ARG  25          2HD       ARG  25   4.710   8.108   2.967
  170    HE   ARG  25           HE       ARG  25   2.584   9.114   4.703
  171   1HH1  ARG  25          2HH2      ARG  25   5.667   9.908   3.015
  172   2HH1  ARG  25          1HH2      ARG  25   5.902  11.359   3.878
  173   1HH2  ARG  25          2HH1      ARG  25   3.028  11.087   5.940
  174   2HH2  ARG  25          1HH1      ARG  25   4.365  12.062   5.453
  175    H    TRP  26           H        TRP  26   3.951   5.155   0.856
  176    HA   TRP  26           HA       TRP  26   4.855   4.009  -1.768
  177   1HB   TRP  26          1HB       TRP  26   4.871   2.919   1.067
  178   2HB   TRP  26          2HB       TRP  26   4.866   1.853  -0.334
  179    HD1  TRP  26           HD       TRP  26   7.074   4.515   1.360
  180    HE1  TRP  26           1HE      TRP  26   9.468   4.310   0.485
  181    HE3  TRP  26           3HE      TRP  26   6.324   0.849  -2.104
  182    HZ2  TRP  26           2HZ      TRP  26  10.874   2.773  -1.581
  183    HZ3  TRP  26           3HZ      TRP  26   8.096   0.298  -3.744
  184    HH2  TRP  26           HH       TRP  26  10.389   1.083  -3.382
  185    H    ALA  27           H        ALA  27   3.303   2.771  -2.918
  186    HA   ALA  27           HA       ALA  27   0.732   2.249  -1.565
  187   1HB   ALA  27          1HB       ALA  27   1.020   3.621  -4.273
  188   2HB   ALA  27          2HB       ALA  27  -0.457   2.822  -3.715
  189   3HB   ALA  27          3HB       ALA  27   0.150   4.212  -2.823
  190    H    TYR  28           H        TYR  28  -0.232   0.380  -2.242
  191    HA   TYR  28           HA       TYR  28   1.478  -1.530  -3.712
  192   1HB   TYR  28          1HB       TYR  28   0.148  -2.216  -1.683
  193   2HB   TYR  28          2HB       TYR  28  -1.297  -1.804  -2.568
  194    HD1  TYR  28           1HD      TYR  28  -2.509  -3.614  -3.472
  195    HD2  TYR  28           2HD      TYR  28   1.775  -3.997  -3.145
  196    HE1  TYR  28           1HE      TYR  28  -2.644  -5.948  -4.250
  197    HE2  TYR  28           2HE      TYR  28   1.641  -6.304  -3.908
  198    HH   TYR  28           HH       TYR  28  -0.188  -8.155  -3.833
  199    H    SER  29           H        SER  29   0.948  -2.409  -5.694
  200    HA   SER  29           HA       SER  29  -1.390  -1.277  -7.119
  201   1HB   SER  29          1HB       SER  29   1.490  -1.560  -7.949
  202   2HB   SER  29          2HB       SER  29   0.260  -1.405  -9.170
  203    HG   SER  29           HG       SER  29  -0.071   0.217  -6.978
  204    HA   PRO  30           HA       PRO  30  -1.904  -5.787  -6.953
  205   1HB   PRO  30          1HB       PRO  30  -4.496  -5.888  -7.884
  206   2HB   PRO  30          2HB       PRO  30  -4.071  -5.514  -6.185
  207   1HG   PRO  30          1HG       PRO  30  -4.717  -3.571  -8.421
  208   2HG   PRO  30          2HG       PRO  30  -5.342  -3.574  -6.747
  209   1HD   PRO  30          1HD       PRO  30  -3.297  -1.975  -7.492
  210   2HD   PRO  30          2HD       PRO  30  -3.294  -2.753  -5.882
  211    H    LEU  31           H        LEU  31  -2.714  -3.554  -9.568
  212    HA   LEU  31           HA       LEU  31  -2.599  -5.362 -11.764
  213   1HB   LEU  31          1HB       LEU  31  -2.364  -2.380 -11.479
  214   2HB   LEU  31          2HB       LEU  31  -2.119  -3.161 -13.038
  215    HG   LEU  31           HG       LEU  31  -4.610  -3.693 -11.373
  216   1HD1  LEU  31          1HD1      LEU  31  -5.740  -2.038 -12.781
  217   2HD1  LEU  31          2HD1      LEU  31  -4.449  -1.299 -11.813
  218   3HD1  LEU  31          3HD1      LEU  31  -4.185  -1.621 -13.548
  219   1HD2  LEU  31          1HD2      LEU  31  -5.585  -4.326 -13.576
  220   2HD2  LEU  31          2HD2      LEU  31  -4.013  -4.047 -14.352
  221   3HD2  LEU  31          3HD2      LEU  31  -4.214  -5.354 -13.171
  222    H    LEU  32           H        LEU  32  -0.046  -4.145  -9.744
  223    HA   LEU  32           HA       LEU  32   1.999  -5.018 -11.737
  224   1HB   LEU  32          1HB       LEU  32   1.976  -3.041  -9.463
  225   2HB   LEU  32          2HB       LEU  32   3.490  -3.705 -10.003
  226    HG   LEU  32           HG       LEU  32   1.588  -2.278 -11.899
  227   1HD1  LEU  32          1HD1      LEU  32   3.152  -0.346 -11.710
  228   2HD1  LEU  32          2HD1      LEU  32   2.331  -0.691 -10.186
  229   3HD1  LEU  32          3HD1      LEU  32   4.026  -1.194 -10.414
  230   1HD2  LEU  32          1HD2      LEU  32   3.625  -2.082 -13.330
  231   2HD2  LEU  32          2HD2      LEU  32   4.533  -3.059 -12.154
  232   3HD2  LEU  32          3HD2      LEU  32   3.175  -3.761 -13.055
  233    H    GLN  33           H        GLN  33   0.219  -5.960  -9.035
  234    HA   GLN  33           HA       GLN  33   0.414  -7.221  -7.272
  235   1HB   GLN  33          1HB       GLN  33   0.627  -8.782  -9.297
  236   2HB   GLN  33          2HB       GLN  33   2.349  -8.879  -8.933
  237   1HG   GLN  33          1HG       GLN  33   0.902  -9.292  -6.482
  238   2HG   GLN  33          2HG       GLN  33   0.075 -10.238  -7.709
  239   1HE2  GLN  33          1HE2      GLN  33   3.502  -9.540  -6.766
  240   2HE2  GLN  33          2HE2      GLN  33   4.026 -11.228  -6.922
  241    H    GLN  34           H        GLN  34   1.988  -4.916  -7.077
  242    HA   GLN  34           HA       GLN  34   4.145  -5.752  -5.261
  243   1HB   GLN  34          1HB       GLN  34   4.945  -5.868  -7.811
  244   2HB   GLN  34          2HB       GLN  34   4.923  -4.093  -7.658
  245   1HG   GLN  34          1HG       GLN  34   6.568  -4.189  -5.882
  246   2HG   GLN  34          2HG       GLN  34   6.595  -5.961  -5.983
  247   1HE2  GLN  34          1HE2      GLN  34   6.509  -6.025  -8.982
  248   2HE2  GLN  34          2HE2      GLN  34   8.113  -5.494  -9.463
  249    H    CYS  35           H        CYS  35   5.227  -3.777  -4.430
  250    HA   CYS  35           HA       CYS  35   3.394  -1.395  -4.415
  251   1HB   CYS  35          1HB       CYS  35   5.506  -2.248  -2.437
  252   2HB   CYS  35          2HB       CYS  35   4.695  -0.691  -2.404
  253    H    HIS  36           H        HIS  36   4.145   0.637  -4.616
  254    HA   HIS  36           HA       HIS  36   6.946   1.047  -5.527
  255   1HB   HIS  36          1HB       HIS  36   6.289   2.225  -7.542
  256   2HB   HIS  36          2HB       HIS  36   5.684   0.579  -7.576
  257    HD1  HIS  36           1HD      HIS  36   4.363   4.171  -6.873
  258    HD2  HIS  36           2HD      HIS  36   2.965   0.302  -8.037
  259    HE1  HIS  36           1HE      HIS  36   1.874   4.384  -7.447
  260    HE2  HIS  36           2HE      HIS  36   1.103   1.972  -8.135
  261    HA   PRO  37           HA       PRO  37   6.434   4.854  -3.201
  262   1HB   PRO  37          1HB       PRO  37   8.076   6.317  -5.214
  263   2HB   PRO  37          2HB       PRO  37   8.392   6.077  -3.472
  264   1HG   PRO  37          1HG       PRO  37   9.829   4.784  -5.430
  265   2HG   PRO  37          2HG       PRO  37   9.454   4.034  -3.853
  266   1HD   PRO  37          1HD       PRO  37   8.075   3.615  -6.506
  267   2HD   PRO  37          2HD       PRO  37   8.531   2.419  -5.262
  268    H    PHE  38           H        PHE  38   5.393   7.160  -3.541
  269    HA   PHE  38           HA       PHE  38   4.631   7.803  -6.233
  270   1HB   PHE  38          1HB       PHE  38   2.304   7.691  -6.092
  271   2HB   PHE  38          2HB       PHE  38   2.845   6.114  -5.580
  272    HD1  PHE  38           1HD      PHE  38   2.985   5.736  -2.919
  273    HD2  PHE  38           2HD      PHE  38   0.664   8.819  -4.855
  274    HE1  PHE  38           1HE      PHE  38   1.430   5.855  -0.971
  275    HE2  PHE  38           2HE      PHE  38  -0.822   8.928  -2.903
  276    HZ   PHE  38           HZ       PHE  38  -0.460   7.418  -0.965
  277    H    VAL  39           H        VAL  39   3.542   9.943  -6.256
  278    HA   VAL  39           HA       VAL  39   4.565  11.626  -4.062
  279    HB   VAL  39           HB       VAL  39   3.252  12.381  -6.744
  280   1HG1  VAL  39          1HG1      VAL  39   4.506  14.028  -4.523
  281   2HG1  VAL  39          2HG1      VAL  39   4.110  14.669  -6.139
  282   3HG1  VAL  39          3HG1      VAL  39   2.826  14.084  -5.071
  283   1HG2  VAL  39          1HG2      VAL  39   5.527  13.162  -7.357
  284   2HG2  VAL  39          2HG2      VAL  39   6.171  12.509  -5.837
  285   3HG2  VAL  39          3HG2      VAL  39   5.517  11.418  -7.080
  286    H    TYR  40           H        TYR  40   3.182  12.299  -2.504
  287    HA   TYR  40           HA       TYR  40   0.263  12.154  -2.902
  288   1HB   TYR  40          1HB       TYR  40   0.753  10.303  -1.556
  289   2HB   TYR  40          2HB       TYR  40   2.036  11.101  -0.701
  290    HD1  TYR  40           1HD      TYR  40   1.667  11.675   1.463
  291    HD2  TYR  40           2HD      TYR  40  -1.669  11.627  -1.282
  292    HE1  TYR  40           1HE      TYR  40   0.182  12.342   3.286
  293    HE2  TYR  40           2HE      TYR  40  -3.168  12.375   0.540
  294    HH   TYR  40           HH       TYR  40  -3.132  13.365   2.712
  295    H    GLY  41           H        GLY  41  -0.767  13.904  -1.495
  296   1HA   GLY  41          1HA       GLY  41   0.941  16.320  -1.633
  297   2HA   GLY  41          2HA       GLY  41  -0.801  16.248  -1.678
  298    H    GLY  42           H        GLY  42   0.037  14.299   0.905
  299   1HA   GLY  42          1HA       GLY  42   0.183  14.567   3.172
  300   2HA   GLY  42          2HA       GLY  42   0.588  16.269   2.978
  301    H    CYS  43           H        CYS  43  -1.789  16.890   1.411
  302    HA   CYS  43           HA       CYS  43  -3.920  16.904   3.422
  303   1HB   CYS  43          1HB       CYS  43  -4.869  18.641   2.158
  304   2HB   CYS  43          2HB       CYS  43  -3.155  18.956   2.245
  305    H    GLU  44           H        GLU  44  -6.162  16.845   1.852
  306    HA   GLU  44           HA       GLU  44  -7.106  14.372   1.829
  307   1HB   GLU  44          1HB       GLU  44  -7.714  16.260  -0.454
  308   2HB   GLU  44          2HB       GLU  44  -8.700  14.936   0.155
  309   1HG   GLU  44          1HG       GLU  44  -9.718  16.700   1.165
  310   2HG   GLU  44          2HG       GLU  44  -8.623  16.215   2.444
  311    H    GLY  45           H        GLY  45  -6.959  12.439   0.711
  312   1HA   GLY  45          1HA       GLY  45  -6.172  12.029  -1.960
  313   2HA   GLY  45          2HA       GLY  45  -4.801  11.739  -0.869
  314    H    ASN  46           H        ASN  46  -5.305   9.390  -1.740
  315    HA   ASN  46           HA       ASN  46  -7.738   8.254  -0.476
  316   1HB   ASN  46          1HB       ASN  46  -5.810   6.720  -2.219
  317   2HB   ASN  46          2HB       ASN  46  -7.400   6.257  -1.719
  318   1HD2  ASN  46          1HD2      ASN  46  -7.295   5.904  -4.292
  319   2HD2  ASN  46          2HD2      ASN  46  -8.085   7.256  -5.101
  320    H    GLY  47           H        GLY  47  -7.270   5.890   0.169
  321   1HA   GLY  47          1HA       GLY  47  -5.692   6.155   2.661
  322   2HA   GLY  47          2HA       GLY  47  -6.895   4.914   2.316
  323    H    ASN  48           H        ASN  48  -5.101   4.790  -0.420
  324    HA   ASN  48           HA       ASN  48  -3.489   2.502   0.473
  325   1HB   ASN  48          1HB       ASN  48  -4.623   2.614  -1.770
  326   2HB   ASN  48          2HB       ASN  48  -3.602   3.914  -2.231
  327   1HD2  ASN  48          1HD2      ASN  48  -3.622   1.571  -3.672
  328   2HD2  ASN  48          2HD2      ASN  48  -2.192   0.596  -3.482
  329    H    ASN  49           H        ASN  49  -2.300   3.677   2.091
  330    HA   ASN  49           HA       ASN  49  -0.072   5.342   1.015
  331   1HB   ASN  49          1HB       ASN  49  -2.127   6.655   1.860
  332   2HB   ASN  49          2HB       ASN  49  -1.784   6.015   3.458
  333   1HD2  ASN  49          1HD2      ASN  49  -1.545   8.730   1.772
  334   2HD2  ASN  49          2HD2      ASN  49  -0.083   9.417   2.407
  335    H    PHE  50           H        PHE  50   1.619   4.072   1.531
  336    HA   PHE  50           HA       PHE  50   1.742   2.798   4.189
  337   1HB   PHE  50          1HB       PHE  50   2.945   1.909   1.552
  338   2HB   PHE  50          2HB       PHE  50   3.351   1.198   3.042
  339    HD1  PHE  50           1HD      PHE  50   1.614   0.044   4.498
  340    HD2  PHE  50           2HD      PHE  50   0.654   1.481   0.538
  341    HE1  PHE  50           1HE      PHE  50  -0.555  -1.149   4.572
  342    HE2  PHE  50           2HE      PHE  50  -1.476   0.203   0.616
  343    HZ   PHE  50           HZ       PHE  50  -2.099  -1.072   2.636
  344    H    HIS  51           H        HIS  51   3.859   2.480   4.972
  345    HA   HIS  51           HA       HIS  51   5.155   5.101   5.115
  346   1HB   HIS  51          1HB       HIS  51   5.737   2.654   6.794
  347   2HB   HIS  51          2HB       HIS  51   5.940   4.333   7.201
  348    HD1  HIS  51           1HD      HIS  51   3.302   5.659   7.489
  349    HD2  HIS  51           2HD      HIS  51   3.527   1.475   7.147
  350    HE1  HIS  51           1HE      HIS  51   0.931   4.757   7.993
  351    HE2  HIS  51           2HE      HIS  51   1.080   2.194   7.833
  352    H    SER  52           H        SER  52   5.726   1.969   3.788
  353    HA   SER  52           HA       SER  52   8.409   2.629   2.866
  354   1HB   SER  52          1HB       SER  52   9.383   0.587   4.134
  355   2HB   SER  52          2HB       SER  52   9.126   2.058   5.062
  356    HG   SER  52           HG       SER  52   8.343   0.090   6.108
  357    H    ARG  53           H        ARG  53   9.332   0.719   1.778
  358    HA   ARG  53           HA       ARG  53   7.499  -0.615  -0.028
  359   1HB   ARG  53          1HB       ARG  53   9.839  -0.130  -0.590
  360   2HB   ARG  53          2HB       ARG  53  10.391  -1.177   0.714
  361   1HG   ARG  53          1HG       ARG  53  10.556  -2.269  -1.388
  362   2HG   ARG  53          2HG       ARG  53   9.407  -3.135  -0.378
  363   1HD   ARG  53          1HD       ARG  53   7.579  -1.965  -1.735
  364   2HD   ARG  53          2HD       ARG  53   8.824  -1.341  -2.773
  365    HE   ARG  53           HE       ARG  53   8.406  -4.263  -2.252
  366   1HH1  ARG  53          2HH2      ARG  53   8.378  -1.967  -4.906
  367   2HH1  ARG  53          1HH2      ARG  53   9.037  -3.121  -6.010
  368   1HH2  ARG  53          2HH1      ARG  53   8.655  -5.670  -3.728
  369   2HH2  ARG  53          1HH1      ARG  53   9.157  -5.314  -5.374
  370    H    GLU  54           H        GLU  54   9.317  -1.576   2.811
  371    HA   GLU  54           HA       GLU  54   8.602  -4.195   3.291
  372   1HB   GLU  54          1HB       GLU  54  10.326  -3.165   4.455
  373   2HB   GLU  54          2HB       GLU  54   9.496  -1.703   4.743
  374   1HG   GLU  54          1HG       GLU  54   8.546  -4.119   6.276
  375   2HG   GLU  54          2HG       GLU  54  10.145  -3.472   6.667
  376    H    SER  55           H        SER  55   7.166  -1.534   5.095
  377    HA   SER  55           HA       SER  55   5.080  -3.058   6.033
  378   1HB   SER  55          1HB       SER  55   3.776  -0.948   6.488
  379   2HB   SER  55          2HB       SER  55   5.427  -0.960   7.102
  380    HG   SER  55           HG       SER  55   6.084   0.336   5.475
  381    H    CYS  56           H        CYS  56   5.115  -1.486   2.938
  382    HA   CYS  56           HA       CYS  56   2.312  -1.887   2.380
  383   1HB   CYS  56          1HB       CYS  56   4.150  -0.265   1.318
  384   2HB   CYS  56          2HB       CYS  56   4.732  -1.647   0.481
  385    H    GLU  57           H        GLU  57   5.246  -3.653   1.443
  386    HA   GLU  57           HA       GLU  57   3.570  -5.629   0.079
  387   1HB   GLU  57          1HB       GLU  57   6.559  -5.593   0.579
  388   2HB   GLU  57          2HB       GLU  57   5.675  -6.951  -0.170
  389   1HG   GLU  57          1HG       GLU  57   4.561  -5.196  -1.712
  390   2HG   GLU  57          2HG       GLU  57   5.746  -4.044  -1.102
  391    H    ASP  58           H        ASP  58   4.815  -5.270   3.379
  392    HA   ASP  58           HA       ASP  58   3.935  -7.952   4.023
  393   1HB   ASP  58          1HB       ASP  58   5.586  -6.659   5.420
  394   2HB   ASP  58          2HB       ASP  58   4.221  -5.680   6.000
  395    H    ALA  59           H        ALA  59   2.231  -4.729   3.730
  396    HA   ALA  59           HA       ALA  59  -0.086  -5.695   5.069
  397   1HB   ALA  59          1HB       ALA  59   0.337  -3.326   4.796
  398   2HB   ALA  59          2HB       ALA  59   0.225  -3.473   3.023
  399   3HB   ALA  59          3HB       ALA  59  -1.200  -3.775   4.034
  400    H    CYS  60           H        CYS  60   0.732  -5.382   1.579
  401    HA   CYS  60           HA       CYS  60  -1.283  -7.488   0.997
  402   1HB   CYS  60          1HB       CYS  60  -0.821  -4.908  -0.454
  403   2HB   CYS  60          2HB       CYS  60  -1.622  -6.312  -1.172
  404    HA   PRO  61           HA       PRO  61   2.671  -9.074  -0.546
  405   1HB   PRO  61          1HB       PRO  61   2.693 -11.446   0.811
  406   2HB   PRO  61          2HB       PRO  61   3.023  -9.917   1.646
  407   1HG   PRO  61          1HG       PRO  61   0.385 -11.398   1.520
  408   2HG   PRO  61          2HG       PRO  61   1.255 -10.789   2.969
  409   1HD   PRO  61          1HD       PRO  61  -0.725  -9.383   1.686
  410   2HD   PRO  61          2HD       PRO  61   0.633  -8.586   2.528
  411    H    VAL  62           H        VAL  62   2.681 -11.730  -1.023
  412    HA   VAL  62           HA       VAL  62   0.609 -12.290  -3.094
  413    HB   VAL  62           HB       VAL  62   3.227 -13.772  -2.728
  414   1HG1  VAL  62          1HG1      VAL  62   1.515 -13.127  -5.179
  415   2HG1  VAL  62          2HG1      VAL  62   2.982 -14.116  -5.187
  416   3HG1  VAL  62          3HG1      VAL  62   1.541 -14.685  -4.349
  417   1HG2  VAL  62          1HG2      VAL  62   4.049 -11.485  -2.932
  418   2HG2  VAL  62          2HG2      VAL  62   4.273 -12.296  -4.479
  419   3HG2  VAL  62          3HG2      VAL  62   2.924 -11.160  -4.265
  420    H    VAL  63           H        VAL  63   1.134 -15.078  -2.735
  421    HA   VAL  63           HA       VAL  63  -0.662 -15.807  -0.691
  422    HB   VAL  63           HB       VAL  63   1.638 -17.539  -1.620
  423   1HG1  VAL  63          1HG1      VAL  63   0.036 -19.420  -1.226
  424   2HG1  VAL  63          2HG1      VAL  63   0.455 -18.564   0.252
  425   3HG1  VAL  63          3HG1      VAL  63  -1.117 -18.261  -0.531
  426   1HG2  VAL  63          1HG2      VAL  63   0.471 -16.738  -3.631
  427   2HG2  VAL  63          2HG2      VAL  63   0.024 -18.412  -3.346
  428   3HG2  VAL  63          3HG2      VAL  63  -1.104 -17.116  -2.899
  429    H    ASP  64           H        ASP  64  -0.400 -16.655   1.348
  430    HA   ASP  64           HA       ASP  64   0.642 -15.179   3.337
  431   1HB   ASP  64          1HB       ASP  64  -0.956 -16.885   3.787
  432   2HB   ASP  64          2HB       ASP  64   0.089 -18.155   3.166
  433    H    HIS  65           H        HIS  65   2.676 -14.641   4.182
  434    HA   HIS  65           HA       HIS  65   5.055 -15.857   3.192
  435   1HB   HIS  65          1HB       HIS  65   4.630 -14.348   5.819
  436   2HB   HIS  65          2HB       HIS  65   6.139 -14.604   4.996
  437    HD1  HIS  65           1HD      HIS  65   4.531 -11.775   5.899
  438    HD2  HIS  65           2HD      HIS  65   5.200 -13.425   2.040
  439    HE1  HIS  65           1HE      HIS  65   4.586  -9.827   4.279
  440    HE2  HIS  65           2HE      HIS  65   4.951 -10.777   1.939
  441    H    HIS  66           H        HIS  66   5.136 -18.063   3.667
  442    HA   HIS  66           HA       HIS  66   3.701 -19.610   4.988
  443   1HB   HIS  66          1HB       HIS  66   5.719 -20.380   3.826
  444   2HB   HIS  66          2HB       HIS  66   6.661 -20.121   5.303
  445    HD1  HIS  66           1HD      HIS  66   5.692 -21.572   7.490
  446    HD2  HIS  66           2HD      HIS  66   4.245 -22.587   3.663
  447    HE1  HIS  66           1HE      HIS  66   4.503 -23.874   7.736
  448    HE2  HIS  66           2HE      HIS  66   3.640 -24.475   5.378
  449    H    HIS  67           H        HIS  67   2.633 -18.766   6.499
  450    HA   HIS  67           HA       HIS  67   3.253 -19.438   9.310
  451   1HB   HIS  67          1HB       HIS  67   1.622 -17.088   8.169
  452   2HB   HIS  67          2HB       HIS  67   1.680 -17.533   9.874
  453    HD1  HIS  67           1HD      HIS  67   2.789 -14.831   7.866
  454    HD2  HIS  67           2HD      HIS  67   4.726 -17.513  10.554
  455    HE1  HIS  67           1HE      HIS  67   4.772 -13.599   8.801
  456    HE2  HIS  67           2HE      HIS  67   6.006 -15.208  10.399
  457    H    HIS  68           H        HIS  68   0.252 -18.273   8.401
  458    HA   HIS  68           HA       HIS  68  -1.170 -19.744   6.825
  459   1HB   HIS  68          1HB       HIS  68  -0.784 -21.870   8.027
  460   2HB   HIS  68          2HB       HIS  68  -1.410 -21.151   9.517
  461    HD1  HIS  68           1HD      HIS  68  -3.392 -20.456   6.229
  462    HD2  HIS  68           2HD      HIS  68  -3.481 -22.798   9.769
  463    HE1  HIS  68           1HE      HIS  68  -5.666 -21.393   6.365
  464    HE2  HIS  68           2HE      HIS  68  -5.795 -22.832   8.513
  465    H    HIS  69           H        HIS  69  -1.031 -17.129   7.450
  466    HA   HIS  69           HA       HIS  69  -2.790 -16.448   9.701
  467   1HB   HIS  69          1HB       HIS  69  -2.322 -14.228   9.268
  468   2HB   HIS  69          2HB       HIS  69  -0.810 -15.017   8.849
  469    HD1  HIS  69           1HD      HIS  69   0.052 -14.432   6.381
  470    HD2  HIS  69           2HD      HIS  69  -3.944 -13.356   7.288
  471    HE1  HIS  69           1HE      HIS  69  -0.830 -12.963   4.438
  472    HE2  HIS  69           2HE      HIS  69  -3.266 -12.264   5.136
  473    H    HIS  70           H        HIS  70  -3.160 -17.370   6.391
  474    HA   HIS  70           HA       HIS  70  -6.028 -17.082   6.481
  475   1HB   HIS  70          1HB       HIS  70  -4.705 -15.237   5.000
  476   2HB   HIS  70          2HB       HIS  70  -4.558 -16.590   3.883
  477    HD1  HIS  70           1HD      HIS  70  -6.631 -13.792   4.508
  478    HD2  HIS  70           2HD      HIS  70  -7.351 -17.870   3.743
  479    HE1  HIS  70           1HE      HIS  70  -9.044 -13.913   3.545
  480    HE2  HIS  70           2HE      HIS  70  -9.485 -16.433   3.099
  Start of MODEL   16
    1   1H    GLU   1          1H        GLU   1  -6.127  -8.281   6.845
    2   2H    GLU   1          2H        GLU   1  -5.975  -8.884   5.342
    3   3H    GLU   1          H         GLU   1  -5.068  -9.528   6.564
    4    HA   GLU   1           HA       GLU   1  -6.979 -10.941   5.973
    5   1HB   GLU   1          1HB       GLU   1  -5.907 -10.783   8.310
    6   2HB   GLU   1          2HB       GLU   1  -7.216  -9.699   8.758
    7   1HG   GLU   1          1HG       GLU   1  -7.669 -12.028   9.464
    8   2HG   GLU   1          2HG       GLU   1  -8.880 -11.469   8.306
    9    H    ALA   2           H        ALA   2  -9.362 -11.010   5.594
   10    HA   ALA   2           HA       ALA   2 -10.928  -8.915   6.821
   11   1HB   ALA   2          1HB       ALA   2 -11.156  -9.361   3.808
   12   2HB   ALA   2          2HB       ALA   2 -12.139  -8.275   4.801
   13   3HB   ALA   2          3HB       ALA   2 -10.424  -7.918   4.567
   14    H    GLU   3           H        GLU   3 -13.347  -9.532   6.492
   15    HA   GLU   3           HA       GLU   3 -13.590 -12.178   7.360
   16   1HB   GLU   3          1HB       GLU   3 -15.555 -10.007   6.749
   17   2HB   GLU   3          2HB       GLU   3 -16.165 -11.632   7.044
   18   1HG   GLU   3          1HG       GLU   3 -14.285 -10.121   8.928
   19   2HG   GLU   3          2HG       GLU   3 -16.038 -10.232   9.121
   20    H    ALA   4           H        ALA   4 -13.696 -11.138   4.051
   21    HA   ALA   4           HA       ALA   4 -14.983 -13.680   3.186
   22   1HB   ALA   4          1HB       ALA   4 -15.424 -11.726   1.790
   23   2HB   ALA   4          2HB       ALA   4 -13.693 -11.396   1.592
   24   3HB   ALA   4          3HB       ALA   4 -14.409 -12.864   0.890
   25    H    GLU   5           H        GLU   5 -11.984 -12.200   2.077
   26    HA   GLU   5           HA       GLU   5 -10.293 -14.260   3.282
   27   1HB   GLU   5          1HB       GLU   5 -10.468 -13.697   0.316
   28   2HB   GLU   5          2HB       GLU   5  -8.931 -14.168   1.033
   29   1HG   GLU   5          1HG       GLU   5 -11.491 -15.813   1.335
   30   2HG   GLU   5          2HG       GLU   5 -10.289 -16.069   0.065
   31    H    PHE   6           H        PHE   6  -9.724 -11.544   0.895
   32    HA   PHE   6           HA       PHE   6  -9.174  -9.718   2.985
   33   1HB   PHE   6          1HB       PHE   6  -7.055 -11.219   2.915
   34   2HB   PHE   6          2HB       PHE   6  -6.770 -10.539   1.329
   35    HD1  PHE   6           1HD      PHE   6  -8.154  -8.004   3.689
   36    HD2  PHE   6           2HD      PHE   6  -4.543 -10.099   2.470
   37    HE1  PHE   6           1HE      PHE   6  -6.800  -6.184   4.554
   38    HE2  PHE   6           2HE      PHE   6  -3.205  -8.288   3.470
   39    HZ   PHE   6           HZ       PHE   6  -4.310  -6.299   4.453
   40    H    THR   7           H        THR   7  -8.775  -7.603   2.094
   41    HA   THR   7           HA       THR   7  -8.213  -6.773  -0.442
   42    HB   THR   7           HB       THR   7 -11.187  -6.721   0.300
   43    HG1  THR   7           1HG      THR   7 -10.106  -8.446  -1.063
   44   1HG2  THR   7          1HG2      THR   7 -10.578  -4.455  -0.423
   45   2HG2  THR   7          2HG2      THR   7  -9.671  -5.095  -1.802
   46   3HG2  THR   7          3HG2      THR   7 -11.439  -5.255  -1.741
   47    H    ASP   8           H        ASP   8  -7.651  -4.559  -0.050
   48    HA   ASP   8           HA       ASP   8  -8.492  -3.161   2.375
   49   1HB   ASP   8          1HB       ASP   8  -6.454  -4.451   2.850
   50   2HB   ASP   8          2HB       ASP   8  -5.692  -3.868   1.386
   51    H    ALA   9           H        ALA   9  -7.343  -0.903   2.107
   52    HA   ALA   9           HA       ALA   9  -8.195   0.488  -0.267
   53   1HB   ALA   9          1HB       ALA   9  -7.750   1.590   1.934
   54   2HB   ALA   9          2HB       ALA   9  -6.020   1.206   1.754
   55   3HB   ALA   9          3HB       ALA   9  -6.808   2.304   0.604
   56    H    CYS  10           H        CYS  10  -5.292  -1.404   0.522
   57    HA   CYS  10           HA       CYS  10  -3.422  -0.469  -1.280
   58   1HB   CYS  10          1HB       CYS  10  -2.358  -2.500  -0.905
   59   2HB   CYS  10          2HB       CYS  10  -3.390  -2.358   0.482
   60    H    VAL  11           H        VAL  11  -6.396  -2.248  -2.090
   61    HA   VAL  11           HA       VAL  11  -5.536  -2.907  -4.799
   62    HB   VAL  11           HB       VAL  11  -8.302  -2.988  -3.511
   63   1HG1  VAL  11          1HG1      VAL  11  -7.237  -4.507  -5.936
   64   2HG1  VAL  11          2HG1      VAL  11  -8.847  -4.680  -5.207
   65   3HG1  VAL  11          3HG1      VAL  11  -8.402  -3.164  -5.989
   66   1HG2  VAL  11          1HG2      VAL  11  -6.823  -4.413  -2.201
   67   2HG2  VAL  11          2HG2      VAL  11  -7.808  -5.454  -3.225
   68   3HG2  VAL  11          3HG2      VAL  11  -6.123  -5.123  -3.671
   69    H    LEU  12           H        LEU  12  -6.850  -0.143  -3.251
   70    HA   LEU  12           HA       LEU  12  -8.206   1.045  -5.501
   71   1HB   LEU  12          1HB       LEU  12  -9.295   1.622  -3.819
   72   2HB   LEU  12          2HB       LEU  12  -8.038   1.518  -2.608
   73    HG   LEU  12           HG       LEU  12  -7.393   3.879  -3.397
   74   1HD1  LEU  12          1HD1      LEU  12  -8.469   4.322  -5.458
   75   2HD1  LEU  12          2HD1      LEU  12  -9.963   3.457  -5.002
   76   3HD1  LEU  12          3HD1      LEU  12  -9.601   5.049  -4.331
   77   1HD2  LEU  12          1HD2      LEU  12  -9.302   4.789  -2.028
   78   2HD2  LEU  12          2HD2      LEU  12 -10.094   3.208  -2.151
   79   3HD2  LEU  12          3HD2      LEU  12  -8.533   3.353  -1.327
   80    HA   PRO  13           HA       PRO  13  -4.495   2.854  -7.175
   81   1HB   PRO  13          1HB       PRO  13  -6.415   5.033  -7.957
   82   2HB   PRO  13          2HB       PRO  13  -5.185   4.219  -8.963
   83   1HG   PRO  13          1HG       PRO  13  -7.837   3.559  -9.170
   84   2HG   PRO  13          2HG       PRO  13  -6.552   2.316  -9.284
   85   1HD   PRO  13          1HD       PRO  13  -8.389   2.877  -6.960
   86   2HD   PRO  13          2HD       PRO  13  -7.682   1.354  -7.500
   87    H    ALA  14           H        ALA  14  -3.214   4.749  -6.846
   88    HA   ALA  14           HA       ALA  14  -3.624   6.028  -4.212
   89   1HB   ALA  14          1HB       ALA  14  -1.324   6.763  -4.493
   90   2HB   ALA  14          2HB       ALA  14  -1.419   5.026  -4.786
   91   3HB   ALA  14          3HB       ALA  14  -1.273   6.158  -6.160
   92    H    VAL  15           H        VAL  15  -3.270   8.434  -4.083
   93    HA   VAL  15           HA       VAL  15  -3.819   9.993  -6.504
   94    HB   VAL  15           HB       VAL  15  -5.552   9.855  -4.025
   95   1HG1  VAL  15          1HG1      VAL  15  -5.541  12.178  -5.973
   96   2HG1  VAL  15          2HG1      VAL  15  -6.814  11.836  -4.779
   97   3HG1  VAL  15          3HG1      VAL  15  -5.199  12.212  -4.218
   98   1HG2  VAL  15          1HG2      VAL  15  -6.250   9.874  -7.003
   99   2HG2  VAL  15          2HG2      VAL  15  -6.238   8.442  -5.960
  100   3HG2  VAL  15          3HG2      VAL  15  -7.414   9.725  -5.666
  101    H    GLN  16           H        GLN  16  -3.113  12.076  -6.235
  102    HA   GLN  16           HA       GLN  16  -0.922  12.512  -4.341
  103   1HB   GLN  16          1HB       GLN  16  -2.026  14.071  -6.697
  104   2HB   GLN  16          2HB       GLN  16  -0.941  14.845  -5.528
  105   1HG   GLN  16          1HG       GLN  16   0.773  13.227  -5.879
  106   2HG   GLN  16          2HG       GLN  16  -0.264  12.209  -6.890
  107   1HE2  GLN  16          1HE2      GLN  16   1.560  15.361  -6.785
  108   2HE2  GLN  16          2HE2      GLN  16   1.757  15.334  -8.523
  109    H    GLY  17           H        GLY  17  -3.743  14.594  -5.167
  110   1HA   GLY  17          1HA       GLY  17  -5.398  14.814  -3.209
  111   2HA   GLY  17          2HA       GLY  17  -3.966  15.407  -2.341
  112    HA   PRO  18           HA       PRO  18  -5.796  18.862  -4.954
  113   1HB   PRO  18          1HB       PRO  18  -6.940  20.460  -3.051
  114   2HB   PRO  18          2HB       PRO  18  -7.780  19.057  -3.775
  115   1HG   PRO  18          1HG       PRO  18  -6.328  19.194  -1.123
  116   2HG   PRO  18          2HG       PRO  18  -7.931  18.484  -1.477
  117   1HD   PRO  18          1HD       PRO  18  -5.625  16.986  -1.331
  118   2HD   PRO  18          2HD       PRO  18  -6.981  16.550  -2.402
  119    H    CYS  19           H        CYS  19  -3.668  18.589  -2.225
  120    HA   CYS  19           HA       CYS  19  -2.680  21.303  -2.233
  121   1HB   CYS  19          1HB       CYS  19  -1.628  18.747  -0.991
  122   2HB   CYS  19          2HB       CYS  19  -0.880  20.310  -0.746
  123    H    ARG  20           H        ARG  20  -0.116  21.377  -2.309
  124    HA   ARG  20           HA       ARG  20   0.784  20.332  -4.940
  125   1HB   ARG  20          1HB       ARG  20   0.521  23.236  -4.143
  126   2HB   ARG  20          2HB       ARG  20   1.752  22.701  -5.264
  127   1HG   ARG  20          1HG       ARG  20   0.300  22.680  -6.951
  128   2HG   ARG  20          2HG       ARG  20  -0.686  21.466  -6.170
  129   1HD   ARG  20          1HD       ARG  20  -0.933  24.458  -5.702
  130   2HD   ARG  20          2HD       ARG  20  -1.875  23.546  -6.880
  131    HE   ARG  20           HE       ARG  20  -2.790  22.188  -5.010
  132   1HH1  ARG  20          2HH2      ARG  20  -1.711  25.507  -4.328
  133   2HH1  ARG  20          1HH2      ARG  20  -2.888  25.784  -3.093
  134   1HH2  ARG  20          2HH1      ARG  20  -4.344  22.562  -3.474
  135   2HH2  ARG  20          1HH1      ARG  20  -4.447  24.022  -2.545
  136    H    GLY  21           H        GLY  21   1.431  20.124  -1.966
  137   1HA   GLY  21          1HA       GLY  21   4.397  20.572  -2.037
  138   2HA   GLY  21          2HA       GLY  21   3.443  20.099  -0.586
  139    H    TRP  22           H        TRP  22   5.647  18.370  -1.830
  140    HA   TRP  22           HA       TRP  22   3.959  16.138  -2.791
  141   1HB   TRP  22          1HB       TRP  22   6.602  17.101  -3.921
  142   2HB   TRP  22          2HB       TRP  22   5.781  15.644  -4.410
  143    HD1  TRP  22           HD       TRP  22   6.512  18.565  -5.937
  144    HE1  TRP  22           1HE      TRP  22   4.716  19.676  -7.370
  145    HE3  TRP  22           3HE      TRP  22   2.368  16.069  -4.189
  146    HZ2  TRP  22           2HZ      TRP  22   1.843  19.574  -7.676
  147    HZ3  TRP  22           3HZ      TRP  22   0.124  16.702  -4.989
  148    HH2  TRP  22           HH       TRP  22  -0.159  18.410  -6.748
  149    H    GLU  23           H        GLU  23   4.021  14.747  -1.374
  150    HA   GLU  23           HA       GLU  23   6.270  14.271   0.498
  151   1HB   GLU  23          1HB       GLU  23   4.182  15.110   1.443
  152   2HB   GLU  23          2HB       GLU  23   3.232  13.905   0.581
  153   1HG   GLU  23          1HG       GLU  23   3.313  13.266   2.833
  154   2HG   GLU  23          2HG       GLU  23   4.249  12.113   1.898
  155    HA   PRO  24           HA       PRO  24   6.354  10.396  -2.106
  156   1HB   PRO  24          1HB       PRO  24   8.632   9.297  -1.095
  157   2HB   PRO  24          2HB       PRO  24   8.646  10.655  -2.262
  158   1HG   PRO  24          1HG       PRO  24   8.933  10.786   0.756
  159   2HG   PRO  24          2HG       PRO  24   9.934  11.598  -0.490
  160   1HD   PRO  24          1HD       PRO  24   7.900  12.862   0.801
  161   2HD   PRO  24          2HD       PRO  24   8.257  13.207  -0.914
  162    H    ARG  25           H        ARG  25   5.131   8.729  -1.678
  163    HA   ARG  25           HA       ARG  25   5.326   7.358   0.945
  164   1HB   ARG  25          1HB       ARG  25   2.766   8.305  -0.414
  165   2HB   ARG  25          2HB       ARG  25   2.757   7.022   0.794
  166   1HG   ARG  25          1HG       ARG  25   3.761   9.858   1.306
  167   2HG   ARG  25          2HG       ARG  25   2.180   9.229   1.732
  168   1HD   ARG  25          1HD       ARG  25   3.189   7.492   3.140
  169   2HD   ARG  25          2HD       ARG  25   4.811   8.080   2.780
  170    HE   ARG  25           HE       ARG  25   2.795   9.326   4.491
  171   1HH1  ARG  25          2HH2      ARG  25   5.920   9.831   2.758
  172   2HH1  ARG  25          1HH2      ARG  25   6.266  11.276   3.588
  173   1HH2  ARG  25          2HH1      ARG  25   3.419  11.258   5.700
  174   2HH2  ARG  25          1HH1      ARG  25   4.814  12.117   5.170
  175    H    TRP  26           H        TRP  26   3.908   5.210   0.676
  176    HA   TRP  26           HA       TRP  26   4.839   3.934  -1.868
  177   1HB   TRP  26          1HB       TRP  26   4.790   3.004   1.025
  178   2HB   TRP  26          2HB       TRP  26   4.791   1.859  -0.311
  179    HD1  TRP  26           HD       TRP  26   7.025   4.579   1.263
  180    HE1  TRP  26           1HE      TRP  26   9.433   4.248   0.465
  181    HE3  TRP  26           3HE      TRP  26   6.243   0.717  -1.962
  182    HZ2  TRP  26           2HZ      TRP  26  10.844   2.519  -1.445
  183    HZ3  TRP  26           3HZ      TRP  26   8.038   0.001  -3.520
  184    HH2  TRP  26           HH       TRP  26  10.345   0.722  -3.137
  185    H    ALA  27           H        ALA  27   3.259   2.702  -2.998
  186    HA   ALA  27           HA       ALA  27   0.685   2.241  -1.629
  187   1HB   ALA  27          1HB       ALA  27  -0.512   2.807  -3.777
  188   2HB   ALA  27          2HB       ALA  27   0.118   4.199  -2.902
  189   3HB   ALA  27          3HB       ALA  27   0.968   3.581  -4.354
  190    H    TYR  28           H        TYR  28  -0.333   0.403  -2.298
  191    HA   TYR  28           HA       TYR  28   1.332  -1.574  -3.714
  192   1HB   TYR  28          1HB       TYR  28  -0.103  -2.150  -1.698
  193   2HB   TYR  28          2HB       TYR  28  -1.502  -1.778  -2.674
  194    HD1  TYR  28           1HD      TYR  28  -2.526  -3.481  -4.034
  195    HD2  TYR  28           2HD      TYR  28   1.457  -4.126  -2.496
  196    HE1  TYR  28           1HE      TYR  28  -2.593  -5.848  -4.761
  197    HE2  TYR  28           2HE      TYR  28   1.412  -6.412  -3.271
  198    HH   TYR  28           HH       TYR  28  -0.087  -8.128  -3.819
  199    H    SER  29           H        SER  29   0.846  -2.427  -5.707
  200    HA   SER  29           HA       SER  29  -1.405  -1.238  -7.231
  201   1HB   SER  29          1HB       SER  29   1.492  -1.636  -7.935
  202   2HB   SER  29          2HB       SER  29   0.324  -1.478  -9.213
  203    HG   SER  29           HG       SER  29   0.012   0.223  -7.054
  204    HA   PRO  30           HA       PRO  30  -2.086  -5.729  -7.101
  205   1HB   PRO  30          1HB       PRO  30  -4.622  -5.743  -8.177
  206   2HB   PRO  30          2HB       PRO  30  -4.281  -5.395  -6.454
  207   1HG   PRO  30          1HG       PRO  30  -4.762  -3.428  -8.706
  208   2HG   PRO  30          2HG       PRO  30  -5.448  -3.413  -7.055
  209   1HD   PRO  30          1HD       PRO  30  -3.319  -1.881  -7.742
  210   2HD   PRO  30          2HD       PRO  30  -3.428  -2.621  -6.120
  211    H    LEU  31           H        LEU  31  -2.658  -3.488  -9.771
  212    HA   LEU  31           HA       LEU  31  -2.476  -5.329 -11.941
  213   1HB   LEU  31          1HB       LEU  31  -2.149  -2.354 -11.661
  214   2HB   LEU  31          2HB       LEU  31  -1.793  -3.153 -13.190
  215    HG   LEU  31           HG       LEU  31  -4.442  -3.579 -11.752
  216   1HD1  LEU  31          1HD1      LEU  31  -4.152  -1.198 -12.198
  217   2HD1  LEU  31          2HD1      LEU  31  -3.744  -1.551 -13.899
  218   3HD1  LEU  31          3HD1      LEU  31  -5.377  -1.901 -13.273
  219   1HD2  LEU  31          1HD2      LEU  31  -5.235  -4.203 -14.032
  220   2HD2  LEU  31          2HD2      LEU  31  -3.588  -3.991 -14.663
  221   3HD2  LEU  31          3HD2      LEU  31  -3.946  -5.276 -13.495
  222    H    LEU  32           H        LEU  32  -0.016  -4.216  -9.758
  223    HA   LEU  32           HA       LEU  32   2.116  -5.216 -11.589
  224   1HB   LEU  32          1HB       LEU  32   2.004  -3.159  -9.387
  225   2HB   LEU  32          2HB       LEU  32   3.527  -3.895  -9.776
  226    HG   LEU  32           HG       LEU  32   1.837  -2.477 -11.877
  227   1HD1  LEU  32          1HD1      LEU  32   2.465  -0.846 -10.174
  228   2HD1  LEU  32          2HD1      LEU  32   4.160  -1.397 -10.222
  229   3HD1  LEU  32          3HD1      LEU  32   3.432  -0.584 -11.626
  230   1HD2  LEU  32          1HD2      LEU  32   4.772  -3.333 -11.851
  231   2HD2  LEU  32          2HD2      LEU  32   3.478  -4.052 -12.828
  232   3HD2  LEU  32          3HD2      LEU  32   3.983  -2.394 -13.139
  233    H    GLN  33           H        GLN  33   0.120  -6.001  -8.967
  234    HA   GLN  33           HA       GLN  33   0.162  -7.190  -7.161
  235   1HB   GLN  33          1HB       GLN  33   0.269  -8.822  -9.063
  236   2HB   GLN  33          2HB       GLN  33   2.002  -8.971  -8.810
  237   1HG   GLN  33          1HG       GLN  33   0.618  -9.272  -6.284
  238   2HG   GLN  33          2HG       GLN  33  -0.205 -10.283  -7.460
  239   1HE2  GLN  33          1HE2      GLN  33   3.280  -9.509  -6.946
  240   2HE2  GLN  33          2HE2      GLN  33   3.816 -11.195  -6.994
  241    H    GLN  34           H        GLN  34   1.803  -4.968  -6.910
  242    HA   GLN  34           HA       GLN  34   3.808  -5.856  -4.958
  243   1HB   GLN  34          1HB       GLN  34   4.759  -6.103  -7.450
  244   2HB   GLN  34          2HB       GLN  34   4.832  -4.326  -7.350
  245   1HG   GLN  34          1HG       GLN  34   6.368  -4.432  -5.502
  246   2HG   GLN  34          2HG       GLN  34   6.267  -6.204  -5.480
  247   1HE2  GLN  34          1HE2      GLN  34   6.366  -6.511  -8.449
  248   2HE2  GLN  34          2HE2      GLN  34   8.029  -6.122  -8.867
  249    H    CYS  35           H        CYS  35   4.955  -3.926  -4.119
  250    HA   CYS  35           HA       CYS  35   3.269  -1.453  -4.272
  251   1HB   CYS  35          1HB       CYS  35   5.250  -2.348  -2.180
  252   2HB   CYS  35          2HB       CYS  35   4.588  -0.724  -2.263
  253    H    HIS  36           H        HIS  36   4.106   0.492  -4.544
  254    HA   HIS  36           HA       HIS  36   6.957   0.773  -5.324
  255   1HB   HIS  36          1HB       HIS  36   6.497   1.829  -7.449
  256   2HB   HIS  36          2HB       HIS  36   5.812   0.216  -7.422
  257    HD1  HIS  36           1HD      HIS  36   4.640   3.909  -7.079
  258    HD2  HIS  36           2HD      HIS  36   3.113   0.032  -8.009
  259    HE1  HIS  36           1HE      HIS  36   2.220   4.199  -7.856
  260    HE2  HIS  36           2HE      HIS  36   1.352   1.779  -8.378
  261    HA   PRO  37           HA       PRO  37   6.501   4.714  -3.265
  262   1HB   PRO  37          1HB       PRO  37   8.220   5.977  -5.371
  263   2HB   PRO  37          2HB       PRO  37   8.458   5.941  -3.600
  264   1HG   PRO  37          1HG       PRO  37   9.966   4.404  -5.291
  265   2HG   PRO  37          2HG       PRO  37   9.437   3.806  -3.691
  266   1HD   PRO  37          1HD       PRO  37   8.231   3.218  -6.399
  267   2HD   PRO  37          2HD       PRO  37   8.566   2.110  -5.045
  268    H    PHE  38           H        PHE  38   5.487   7.004  -3.704
  269    HA   PHE  38           HA       PHE  38   4.761   7.593  -6.415
  270   1HB   PHE  38          1HB       PHE  38   2.432   7.482  -6.293
  271   2HB   PHE  38          2HB       PHE  38   2.954   5.926  -5.700
  272    HD1  PHE  38           1HD      PHE  38   3.023   5.626  -3.053
  273    HD2  PHE  38           2HD      PHE  38   0.876   8.765  -5.088
  274    HE1  PHE  38           1HE      PHE  38   1.489   5.897  -1.104
  275    HE2  PHE  38           2HE      PHE  38  -0.569   9.053  -3.123
  276    HZ   PHE  38           HZ       PHE  38  -0.298   7.580  -1.138
  277    H    VAL  39           H        VAL  39   3.580   9.748  -6.433
  278    HA   VAL  39           HA       VAL  39   4.673  11.455  -4.291
  279    HB   VAL  39           HB       VAL  39   3.269  12.236  -6.914
  280   1HG1  VAL  39          1HG1      VAL  39   4.244  14.485  -6.334
  281   2HG1  VAL  39          2HG1      VAL  39   3.000  13.940  -5.201
  282   3HG1  VAL  39          3HG1      VAL  39   4.704  13.812  -4.748
  283   1HG2  VAL  39          1HG2      VAL  39   5.545  12.941  -7.632
  284   2HG2  VAL  39          2HG2      VAL  39   6.237  12.238  -6.155
  285   3HG2  VAL  39          3HG2      VAL  39   5.477  11.195  -7.380
  286    H    TYR  40           H        TYR  40   3.378  11.989  -2.638
  287    HA   TYR  40           HA       TYR  40   0.435  11.879  -2.921
  288   1HB   TYR  40          1HB       TYR  40   1.021  10.127  -1.465
  289   2HB   TYR  40          2HB       TYR  40   2.316  11.014  -0.724
  290    HD1  TYR  40           1HD      TYR  40   2.005  11.678   1.420
  291    HD2  TYR  40           2HD      TYR  40  -1.417  11.492  -1.213
  292    HE1  TYR  40           1HE      TYR  40   0.582  12.463   3.245
  293    HE2  TYR  40           2HE      TYR  40  -2.846  12.374   0.593
  294    HH   TYR  40           HH       TYR  40  -2.782  13.441   2.659
  295    H    GLY  41           H        GLY  41  -0.547  13.737  -1.539
  296   1HA   GLY  41          1HA       GLY  41   1.207  16.105  -1.877
  297   2HA   GLY  41          2HA       GLY  41  -0.517  16.088  -1.991
  298    H    GLY  42           H        GLY  42   0.361  14.274   0.738
  299   1HA   GLY  42          1HA       GLY  42   0.656  14.657   2.945
  300   2HA   GLY  42          2HA       GLY  42   1.131  16.320   2.600
  301    H    CYS  43           H        CYS  43  -1.761  16.270   1.232
  302    HA   CYS  43           HA       CYS  43  -3.443  16.536   3.633
  303   1HB   CYS  43          1HB       CYS  43  -4.507  18.404   2.829
  304   2HB   CYS  43          2HB       CYS  43  -2.808  18.711   2.574
  305    H    GLU  44           H        GLU  44  -5.905  16.630   2.315
  306    HA   GLU  44           HA       GLU  44  -6.812  14.142   2.348
  307   1HB   GLU  44          1HB       GLU  44  -7.730  16.048   0.189
  308   2HB   GLU  44          2HB       GLU  44  -8.615  14.712   0.916
  309   1HG   GLU  44          1HG       GLU  44  -9.502  16.459   2.067
  310   2HG   GLU  44          2HG       GLU  44  -8.240  15.978   3.183
  311    H    GLY  45           H        GLY  45  -6.805  12.231   1.150
  312   1HA   GLY  45          1HA       GLY  45  -6.089  11.958  -1.596
  313   2HA   GLY  45          2HA       GLY  45  -4.760  11.530  -0.519
  314    H    ASN  46           H        ASN  46  -5.359   9.260  -1.534
  315    HA   ASN  46           HA       ASN  46  -7.805   8.123  -0.279
  316   1HB   ASN  46          1HB       ASN  46  -5.921   6.600  -2.085
  317   2HB   ASN  46          2HB       ASN  46  -7.525   6.161  -1.593
  318   1HD2  ASN  46          1HD2      ASN  46  -7.227   5.934  -4.265
  319   2HD2  ASN  46          2HD2      ASN  46  -8.047   7.304  -4.995
  320    H    GLY  47           H        GLY  47  -7.367   5.739   0.299
  321   1HA   GLY  47          1HA       GLY  47  -5.737   5.887   2.753
  322   2HA   GLY  47          2HA       GLY  47  -6.907   4.627   2.348
  323    H    ASN  48           H        ASN  48  -5.196   4.694  -0.411
  324    HA   ASN  48           HA       ASN  48  -3.429   2.471   0.360
  325   1HB   ASN  48          1HB       ASN  48  -4.706   2.481  -1.780
  326   2HB   ASN  48          2HB       ASN  48  -3.824   3.846  -2.346
  327   1HD2  ASN  48          1HD2      ASN  48  -3.709   1.628  -3.845
  328   2HD2  ASN  48          2HD2      ASN  48  -2.253   0.678  -3.696
  329    H    ASN  49           H        ASN  49  -2.268   3.786   1.921
  330    HA   ASN  49           HA       ASN  49  -0.093   5.413   0.720
  331   1HB   ASN  49          1HB       ASN  49  -2.092   6.854   1.378
  332   2HB   ASN  49          2HB       ASN  49  -1.872   6.316   3.039
  333   1HD2  ASN  49          1HD2      ASN  49  -1.495   8.954   1.353
  334   2HD2  ASN  49          2HD2      ASN  49  -0.002   9.595   1.970
  335    H    PHE  50           H        PHE  50   1.603   4.231   1.388
  336    HA   PHE  50           HA       PHE  50   1.668   3.148   4.131
  337   1HB   PHE  50          1HB       PHE  50   2.862   2.043   1.574
  338   2HB   PHE  50          2HB       PHE  50   3.199   1.400   3.111
  339    HD1  PHE  50           1HD      PHE  50   0.592   1.635   0.515
  340    HD2  PHE  50           2HD      PHE  50   1.342   0.466   4.603
  341    HE1  PHE  50           1HE      PHE  50  -1.619   0.505   0.618
  342    HE2  PHE  50           2HE      PHE  50  -0.908  -0.563   4.703
  343    HZ   PHE  50           HZ       PHE  50  -2.392  -0.546   2.711
  344    H    HIS  51           H        HIS  51   3.800   2.830   4.949
  345    HA   HIS  51           HA       HIS  51   5.140   5.441   4.890
  346   1HB   HIS  51          1HB       HIS  51   5.675   3.119   6.753
  347   2HB   HIS  51          2HB       HIS  51   5.920   4.821   7.026
  348    HD1  HIS  51           1HD      HIS  51   3.319   6.226   7.201
  349    HD2  HIS  51           2HD      HIS  51   3.448   2.024   7.210
  350    HE1  HIS  51           1HE      HIS  51   0.922   5.423   7.762
  351    HE2  HIS  51           2HE      HIS  51   1.018   2.850   7.820
  352    H    SER  52           H        SER  52   5.658   2.230   3.786
  353    HA   SER  52           HA       SER  52   8.400   2.742   2.917
  354   1HB   SER  52          1HB       SER  52   9.150   0.666   4.374
  355   2HB   SER  52          2HB       SER  52   9.041   2.251   5.146
  356    HG   SER  52           HG       SER  52   7.909   0.300   6.223
  357    H    ARG  53           H        ARG  53   9.288   0.696   1.970
  358    HA   ARG  53           HA       ARG  53   7.441  -0.617   0.181
  359   1HB   ARG  53          1HB       ARG  53   9.811  -0.312  -0.350
  360   2HB   ARG  53          2HB       ARG  53  10.277  -1.302   1.029
  361   1HG   ARG  53          1HG       ARG  53  10.404  -2.522  -1.040
  362   2HG   ARG  53          2HG       ARG  53   9.244  -3.275   0.046
  363   1HD   ARG  53          1HD       ARG  53   7.422  -2.131  -1.338
  364   2HD   ARG  53          2HD       ARG  53   8.661  -1.610  -2.439
  365    HE   ARG  53           HE       ARG  53   8.069  -4.473  -1.764
  366   1HH1  ARG  53          2HH2      ARG  53   8.254  -2.319  -4.512
  367   2HH1  ARG  53          1HH2      ARG  53   8.893  -3.552  -5.543
  368   1HH2  ARG  53          2HH1      ARG  53   8.326  -5.961  -3.159
  369   2HH2  ARG  53          1HH1      ARG  53   8.892  -5.716  -4.805
  370    H    GLU  54           H        GLU  54   9.159  -1.607   3.087
  371    HA   GLU  54           HA       GLU  54   8.280  -4.163   3.614
  372   1HB   GLU  54          1HB       GLU  54  10.061  -3.194   4.762
  373   2HB   GLU  54          2HB       GLU  54   9.288  -1.696   5.027
  374   1HG   GLU  54          1HG       GLU  54   7.936  -3.722   6.640
  375   2HG   GLU  54          2HG       GLU  54   9.687  -3.843   6.856
  376    H    SER  55           H        SER  55   6.982  -1.445   5.464
  377    HA   SER  55           HA       SER  55   4.755  -2.713   6.311
  378   1HB   SER  55          1HB       SER  55   3.614  -0.578   6.745
  379   2HB   SER  55          2HB       SER  55   5.306  -0.584   7.251
  380    HG   SER  55           HG       SER  55   5.857   0.667   5.568
  381    H    CYS  56           H        CYS  56   4.987  -1.383   3.117
  382    HA   CYS  56           HA       CYS  56   2.147  -1.558   2.547
  383   1HB   CYS  56          1HB       CYS  56   4.091  -0.114   1.455
  384   2HB   CYS  56          2HB       CYS  56   4.568  -1.555   0.640
  385    H    GLU  57           H        GLU  57   4.963  -3.561   1.732
  386    HA   GLU  57           HA       GLU  57   3.163  -5.516   0.520
  387   1HB   GLU  57          1HB       GLU  57   6.131  -5.476   0.828
  388   2HB   GLU  57          2HB       GLU  57   5.293  -7.026   0.513
  389   1HG   GLU  57          1HG       GLU  57   4.108  -6.111  -1.395
  390   2HG   GLU  57          2HG       GLU  57   4.667  -4.480  -1.037
  391    H    ASP  58           H        ASP  58   4.396  -5.037   3.779
  392    HA   ASP  58           HA       ASP  58   3.396  -7.541   4.783
  393   1HB   ASP  58          1HB       ASP  58   4.924  -6.059   6.051
  394   2HB   ASP  58          2HB       ASP  58   3.653  -4.836   6.154
  395    H    ALA  59           H        ALA  59   1.821  -4.271   4.106
  396    HA   ALA  59           HA       ALA  59  -0.673  -5.135   5.232
  397   1HB   ALA  59          1HB       ALA  59  -0.074  -2.960   3.185
  398   2HB   ALA  59          2HB       ALA  59  -1.583  -3.158   4.097
  399   3HB   ALA  59          3HB       ALA  59  -0.072  -2.775   4.955
  400    H    CYS  60           H        CYS  60   0.620  -5.147   1.859
  401    HA   CYS  60           HA       CYS  60  -1.407  -7.150   1.133
  402   1HB   CYS  60          1HB       CYS  60  -1.015  -4.498  -0.192
  403   2HB   CYS  60          2HB       CYS  60  -1.521  -5.915  -1.109
  404    HA   PRO  61           HA       PRO  61   2.727  -8.434  -0.143
  405   1HB   PRO  61          1HB       PRO  61   2.489 -11.122   0.281
  406   2HB   PRO  61          2HB       PRO  61   2.448  -9.950   1.620
  407   1HG   PRO  61          1HG       PRO  61   0.062 -11.110   0.133
  408   2HG   PRO  61          2HG       PRO  61   0.390 -11.184   1.902
  409   1HD   PRO  61          1HD       PRO  61  -1.146  -9.231   0.824
  410   2HD   PRO  61          2HD       PRO  61  -0.004  -8.864   2.156
  411    H    VAL  62           H        VAL  62   3.135 -10.746  -1.375
  412    HA   VAL  62           HA       VAL  62   2.264 -10.564  -4.226
  413    HB   VAL  62           HB       VAL  62   4.610 -11.699  -2.628
  414   1HG1  VAL  62          1HG1      VAL  62   4.652 -13.345  -4.212
  415   2HG1  VAL  62          2HG1      VAL  62   4.043 -12.307  -5.512
  416   3HG1  VAL  62          3HG1      VAL  62   5.710 -12.146  -4.928
  417   1HG2  VAL  62          1HG2      VAL  62   4.541  -9.557  -4.798
  418   2HG2  VAL  62          2HG2      VAL  62   4.701  -9.256  -3.063
  419   3HG2  VAL  62          3HG2      VAL  62   5.985 -10.104  -3.915
  420    H    VAL  63           H        VAL  63   2.773 -13.360  -4.523
  421    HA   VAL  63           HA       VAL  63   0.323 -14.555  -3.786
  422    HB   VAL  63           HB       VAL  63   2.746 -16.300  -3.758
  423   1HG1  VAL  63          1HG1      VAL  63  -0.022 -16.683  -4.934
  424   2HG1  VAL  63          2HG1      VAL  63   1.273 -17.898  -4.886
  425   3HG1  VAL  63          3HG1      VAL  63   0.560 -17.317  -3.376
  426   1HG2  VAL  63          1HG2      VAL  63   1.558 -15.066  -6.295
  427   2HG2  VAL  63          2HG2      VAL  63   3.234 -14.906  -5.726
  428   3HG2  VAL  63          3HG2      VAL  63   2.649 -16.472  -6.284
  429    H    ASP  64           H        ASP  64  -0.398 -15.407  -1.964
  430    HA   ASP  64           HA       ASP  64   1.201 -14.910   0.511
  431   1HB   ASP  64          1HB       ASP  64  -0.636 -13.309   0.144
  432   2HB   ASP  64          2HB       ASP  64  -1.795 -14.637   0.109
  433    H    HIS  65           H        HIS  65   0.510 -15.984   2.343
  434    HA   HIS  65           HA       HIS  65   0.539 -18.839   2.241
  435   1HB   HIS  65          1HB       HIS  65  -0.125 -17.056   4.638
  436   2HB   HIS  65          2HB       HIS  65   0.742 -18.583   4.662
  437    HD1  HIS  65           1HD      HIS  65   1.234 -14.829   3.856
  438    HD2  HIS  65           2HD      HIS  65   3.483 -18.399   4.352
  439    HE1  HIS  65           1HE      HIS  65   3.672 -14.122   4.051
  440    HE2  HIS  65           2HE      HIS  65   5.059 -16.285   4.321
  441    H    HIS  66           H        HIS  66  -1.517 -20.012   3.543
  442    HA   HIS  66           HA       HIS  66  -3.948 -18.556   2.661
  443   1HB   HIS  66          1HB       HIS  66  -4.003 -20.979   2.358
  444   2HB   HIS  66          2HB       HIS  66  -3.930 -21.194   4.120
  445    HD1  HIS  66           1HD      HIS  66  -6.213 -19.147   1.608
  446    HD2  HIS  66           2HD      HIS  66  -6.218 -21.033   5.403
  447    HE1  HIS  66           1HE      HIS  66  -8.548 -18.875   2.545
  448    HE2  HIS  66           2HE      HIS  66  -8.589 -20.026   4.826
  449    H    HIS  67           H        HIS  67  -3.377 -16.692   3.913
  450    HA   HIS  67           HA       HIS  67  -3.355 -16.422   6.719
  451   1HB   HIS  67          1HB       HIS  67  -4.005 -14.112   6.203
  452   2HB   HIS  67          2HB       HIS  67  -2.922 -14.633   4.916
  453    HD1  HIS  67           1HD      HIS  67  -6.532 -13.777   5.644
  454    HD2  HIS  67           2HD      HIS  67  -4.219 -15.380   2.500
  455    HE1  HIS  67           1HE      HIS  67  -8.159 -14.398   3.785
  456    HE2  HIS  67           2HE      HIS  67  -6.827 -15.414   1.912
  457    H    HIS  68           H        HIS  68  -5.319 -15.867   8.210
  458    HA   HIS  68           HA       HIS  68  -7.849 -15.930   7.088
  459   1HB   HIS  68          1HB       HIS  68  -7.087 -18.592   7.322
  460   2HB   HIS  68          2HB       HIS  68  -7.885 -18.334   8.864
  461    HD1  HIS  68           1HD      HIS  68 -10.641 -18.784   8.610
  462    HD2  HIS  68           2HD      HIS  68  -8.636 -17.266   5.140
  463    HE1  HIS  68           1HE      HIS  68 -12.369 -18.380   6.904
  464    HE2  HIS  68           2HE      HIS  68 -11.100 -17.523   4.677
  465    H    HIS  69           H        HIS  69  -9.516 -16.172   8.657
  466    HA   HIS  69           HA       HIS  69  -9.048 -15.085  11.364
  467   1HB   HIS  69          1HB       HIS  69 -11.269 -13.886  10.999
  468   2HB   HIS  69          2HB       HIS  69  -9.970 -13.265  10.001
  469    HD1  HIS  69           1HD      HIS  69 -10.043 -14.028   7.297
  470    HD2  HIS  69           2HD      HIS  69 -13.486 -14.560   9.692
  471    HE1  HIS  69           1HE      HIS  69 -11.990 -14.512   5.728
  472    HE2  HIS  69           2HE      HIS  69 -14.070 -14.747   7.156
  473    H    HIS  70           H        HIS  70 -12.246 -15.791  11.235
  474    HA   HIS  70           HA       HIS  70 -11.797 -18.643  11.929
  475   1HB   HIS  70          1HB       HIS  70 -14.362 -18.634  12.032
  476   2HB   HIS  70          2HB       HIS  70 -13.487 -17.823  13.319
  477    HD1  HIS  70           1HD      HIS  70 -13.970 -15.214  13.637
  478    HD2  HIS  70           2HD      HIS  70 -15.447 -16.924  10.062
  479    HE1  HIS  70           1HE      HIS  70 -15.219 -13.348  12.342
  480    HE2  HIS  70           2HE      HIS  70 -16.046 -14.353  10.224
  Start of MODEL   17
    1   1H    GLU   1          1H        GLU   1 -17.521 -10.126 -12.429
    2   2H    GLU   1          2H        GLU   1 -17.703  -8.493 -12.211
    3   3H    GLU   1          H         GLU   1 -19.049  -9.450 -12.387
    4    HA   GLU   1           HA       GLU   1 -18.697  -8.792 -10.166
    5   1HB   GLU   1          1HB       GLU   1 -18.293 -11.267  -9.214
    6   2HB   GLU   1          2HB       GLU   1 -19.805 -10.627  -9.805
    7   1HG   GLU   1          1HG       GLU   1 -19.506 -12.861 -10.629
    8   2HG   GLU   1          2HG       GLU   1 -19.521 -11.721 -11.971
    9    H    ALA   2           H        ALA   2 -17.440  -8.709  -8.397
   10    HA   ALA   2           HA       ALA   2 -14.828  -9.492  -7.809
   11   1HB   ALA   2          1HB       ALA   2 -13.991  -8.200  -9.733
   12   2HB   ALA   2          2HB       ALA   2 -14.914  -6.774  -9.200
   13   3HB   ALA   2          3HB       ALA   2 -13.556  -7.376  -8.232
   14    H    GLU   3           H        GLU   3 -17.563  -7.509  -7.534
   15    HA   GLU   3           HA       GLU   3 -16.913  -5.604  -5.563
   16   1HB   GLU   3          1HB       GLU   3 -19.735  -6.629  -6.155
   17   2HB   GLU   3          2HB       GLU   3 -19.181  -5.020  -5.773
   18   1HG   GLU   3          1HG       GLU   3 -19.861  -4.951  -8.031
   19   2HG   GLU   3          2HG       GLU   3 -18.097  -4.931  -8.083
   20    H    ALA   4           H        ALA   4 -19.103  -8.427  -5.449
   21    HA   ALA   4           HA       ALA   4 -18.853  -8.646  -2.521
   22   1HB   ALA   4          1HB       ALA   4 -20.613 -10.359  -2.771
   23   2HB   ALA   4          2HB       ALA   4 -21.069  -8.842  -3.569
   24   3HB   ALA   4          3HB       ALA   4 -20.510 -10.227  -4.539
   25    H    GLU   5           H        GLU   5 -16.388  -8.994  -3.292
   26    HA   GLU   5           HA       GLU   5 -15.898 -11.889  -2.951
   27   1HB   GLU   5          1HB       GLU   5 -14.589 -10.104  -5.048
   28   2HB   GLU   5          2HB       GLU   5 -13.927 -11.639  -4.489
   29   1HG   GLU   5          1HG       GLU   5 -15.957 -12.819  -5.219
   30   2HG   GLU   5          2HG       GLU   5 -16.687 -11.287  -5.733
   31    H    PHE   6           H        PHE   6 -13.546  -9.227  -3.481
   32    HA   PHE   6           HA       PHE   6 -13.195  -8.695  -0.682
   33   1HB   PHE   6          1HB       PHE   6 -12.016 -10.914  -0.896
   34   2HB   PHE   6          2HB       PHE   6 -11.019 -10.247  -2.179
   35    HD1  PHE   6           1HD      PHE   6 -11.630 -10.371   1.445
   36    HD2  PHE   6           2HD      PHE   6  -9.312  -8.462  -1.653
   37    HE1  PHE   6           1HE      PHE   6 -10.071  -9.476   3.154
   38    HE2  PHE   6           2HE      PHE   6  -7.786  -7.530   0.081
   39    HZ   PHE   6           HZ       PHE   6  -8.158  -8.051   2.476
   40    H    THR   7           H        THR   7 -12.118  -6.689  -0.527
   41    HA   THR   7           HA       THR   7 -10.277  -5.781  -2.514
   42    HB   THR   7           HB       THR   7 -12.981  -4.399  -2.206
   43    HG1  THR   7           1HG      THR   7 -12.331  -6.077  -3.912
   44   1HG2  THR   7          1HG2      THR   7 -11.993  -2.560  -3.579
   45   2HG2  THR   7          2HG2      THR   7 -11.181  -2.679  -2.013
   46   3HG2  THR   7          3HG2      THR   7 -10.404  -3.335  -3.462
   47    H    ASP   8           H        ASP   8  -8.826  -4.548  -1.407
   48    HA   ASP   8           HA       ASP   8  -9.418  -3.566   1.307
   49   1HB   ASP   8          1HB       ASP   8  -7.966  -5.496   1.452
   50   2HB   ASP   8          2HB       ASP   8  -6.968  -4.933   0.111
   51    H    ALA   9           H        ALA   9  -7.797  -1.721   1.708
   52    HA   ALA   9           HA       ALA   9  -8.030   0.332  -0.278
   53   1HB   ALA   9          1HB       ALA   9  -7.624   0.869   2.099
   54   2HB   ALA   9          2HB       ALA   9  -6.021   0.092   2.004
   55   3HB   ALA   9          3HB       ALA   9  -6.356   1.554   1.060
   56    H    CYS  10           H        CYS  10  -5.512  -2.183   0.290
   57    HA   CYS  10           HA       CYS  10  -3.519  -0.868  -1.257
   58   1HB   CYS  10          1HB       CYS  10  -2.214  -2.689  -0.815
   59   2HB   CYS  10          2HB       CYS  10  -3.396  -2.819   0.450
   60    H    VAL  11           H        VAL  11  -6.391  -2.498  -2.282
   61    HA   VAL  11           HA       VAL  11  -5.447  -3.059  -5.008
   62    HB   VAL  11           HB       VAL  11  -8.260  -3.140  -3.859
   63   1HG1  VAL  11          1HG1      VAL  11  -8.768  -4.730  -5.637
   64   2HG1  VAL  11          2HG1      VAL  11  -8.156  -3.238  -6.349
   65   3HG1  VAL  11          3HG1      VAL  11  -7.094  -4.660  -6.231
   66   1HG2  VAL  11          1HG2      VAL  11  -7.898  -5.615  -3.594
   67   2HG2  VAL  11          2HG2      VAL  11  -6.174  -5.349  -3.949
   68   3HG2  VAL  11          3HG2      VAL  11  -6.910  -4.657  -2.490
   69    H    LEU  12           H        LEU  12  -6.905  -0.456  -3.233
   70    HA   LEU  12           HA       LEU  12  -8.142   0.972  -5.436
   71   1HB   LEU  12          1HB       LEU  12  -9.270   1.341  -3.618
   72   2HB   LEU  12          2HB       LEU  12  -7.955   1.188  -2.473
   73    HG   LEU  12           HG       LEU  12  -7.405   3.636  -3.506
   74   1HD1  LEU  12          1HD1      LEU  12 -10.493   3.479  -3.409
   75   2HD1  LEU  12          2HD1      LEU  12  -9.523   4.853  -3.948
   76   3HD1  LEU  12          3HD1      LEU  12  -9.673   3.393  -4.946
   77   1HD2  LEU  12          1HD2      LEU  12  -7.635   3.222  -1.176
   78   2HD2  LEU  12          2HD2      LEU  12  -8.828   4.494  -1.565
   79   3HD2  LEU  12          3HD2      LEU  12  -9.359   2.831  -1.321
   80    HA   PRO  13           HA       PRO  13  -4.257   2.612  -6.610
   81   1HB   PRO  13          1HB       PRO  13  -5.015   4.870  -8.062
   82   2HB   PRO  13          2HB       PRO  13  -5.045   3.190  -8.648
   83   1HG   PRO  13          1HG       PRO  13  -7.306   4.900  -7.639
   84   2HG   PRO  13          2HG       PRO  13  -7.342   3.651  -8.921
   85   1HD   PRO  13          1HD       PRO  13  -8.192   3.333  -6.273
   86   2HD   PRO  13          2HD       PRO  13  -7.783   1.967  -7.315
   87    H    ALA  14           H        ALA  14  -2.971   4.582  -6.580
   88    HA   ALA  14           HA       ALA  14  -3.100   5.926  -3.963
   89   1HB   ALA  14          1HB       ALA  14  -0.937   6.846  -4.681
   90   2HB   ALA  14          2HB       ALA  14  -0.943   5.092  -4.879
   91   3HB   ALA  14          3HB       ALA  14  -1.134   6.157  -6.299
   92    H    VAL  15           H        VAL  15  -3.056   8.315  -3.828
   93    HA   VAL  15           HA       VAL  15  -3.808   9.865  -6.193
   94    HB   VAL  15           HB       VAL  15  -5.444   9.627  -3.653
   95   1HG1  VAL  15          1HG1      VAL  15  -6.854  11.514  -4.409
   96   2HG1  VAL  15          2HG1      VAL  15  -5.250  11.999  -3.902
   97   3HG1  VAL  15          3HG1      VAL  15  -5.637  11.907  -5.645
   98   1HG2  VAL  15          1HG2      VAL  15  -6.127   8.135  -5.513
   99   2HG2  VAL  15          2HG2      VAL  15  -7.353   9.373  -5.244
  100   3HG2  VAL  15          3HG2      VAL  15  -6.225   9.525  -6.609
  101    H    GLN  16           H        GLN  16  -3.190  11.973  -5.928
  102    HA   GLN  16           HA       GLN  16  -0.986  12.519  -4.071
  103   1HB   GLN  16          1HB       GLN  16  -2.211  14.017  -6.408
  104   2HB   GLN  16          2HB       GLN  16  -1.154  14.852  -5.257
  105   1HG   GLN  16          1HG       GLN  16   0.656  13.402  -5.660
  106   2HG   GLN  16          2HG       GLN  16  -0.331  12.235  -6.561
  107   1HE2  GLN  16          1HE2      GLN  16   1.668  15.126  -6.806
  108   2HE2  GLN  16          2HE2      GLN  16   1.542  15.166  -8.549
  109    H    GLY  17           H        GLY  17  -3.944  14.419  -4.850
  110   1HA   GLY  17          1HA       GLY  17  -5.545  14.639  -2.858
  111   2HA   GLY  17          2HA       GLY  17  -4.107  15.280  -2.033
  112    HA   PRO  18           HA       PRO  18  -6.142  18.623  -4.626
  113   1HB   PRO  18          1HB       PRO  18  -7.101  20.291  -2.663
  114   2HB   PRO  18          2HB       PRO  18  -8.011  18.892  -3.307
  115   1HG   PRO  18          1HG       PRO  18  -6.376  19.043  -0.767
  116   2HG   PRO  18          2HG       PRO  18  -8.004  18.338  -1.005
  117   1HD   PRO  18          1HD       PRO  18  -5.720  16.811  -0.991
  118   2HD   PRO  18          2HD       PRO  18  -7.131  16.397  -1.994
  119    H    CYS  19           H        CYS  19  -3.782  18.514  -2.065
  120    HA   CYS  19           HA       CYS  19  -2.905  21.240  -2.232
  121   1HB   CYS  19          1HB       CYS  19  -1.643  18.742  -1.038
  122   2HB   CYS  19          2HB       CYS  19  -0.988  20.353  -0.823
  123    H    ARG  20           H        ARG  20  -0.326  21.412  -2.449
  124    HA   ARG  20           HA       ARG  20   0.598  20.134  -4.948
  125   1HB   ARG  20          1HB       ARG  20   0.391  23.100  -4.458
  126   2HB   ARG  20          2HB       ARG  20   1.656  22.436  -5.461
  127   1HG   ARG  20          1HG       ARG  20   0.304  22.266  -7.204
  128   2HG   ARG  20          2HG       ARG  20  -0.783  21.192  -6.371
  129   1HD   ARG  20          1HD       ARG  20  -1.003  24.178  -5.907
  130   2HD   ARG  20          2HD       ARG  20  -1.565  23.479  -7.432
  131    HE   ARG  20           HE       ARG  20  -2.719  21.920  -5.410
  132   1HH1  ARG  20          2HH2      ARG  20  -2.898  25.228  -6.671
  133   2HH1  ARG  20          1HH2      ARG  20  -4.574  25.448  -6.309
  134   1HH2  ARG  20          2HH1      ARG  20  -4.927  22.221  -4.868
  135   2HH2  ARG  20          1HH1      ARG  20  -5.781  23.672  -5.245
  136    H    GLY  21           H        GLY  21   1.153  20.200  -1.943
  137   1HA   GLY  21          1HA       GLY  21   4.112  20.645  -1.913
  138   2HA   GLY  21          2HA       GLY  21   3.104  20.125  -0.518
  139    H    TRP  22           H        TRP  22   5.429  18.437  -1.564
  140    HA   TRP  22           HA       TRP  22   3.924  16.180  -2.666
  141   1HB   TRP  22          1HB       TRP  22   6.577  17.274  -3.657
  142   2HB   TRP  22          2HB       TRP  22   5.866  15.772  -4.174
  143    HD1  TRP  22           HD       TRP  22   6.593  18.633  -5.744
  144    HE1  TRP  22           1HE      TRP  22   4.874  19.634  -7.341
  145    HE3  TRP  22           3HE      TRP  22   2.405  16.106  -4.165
  146    HZ2  TRP  22           2HZ      TRP  22   2.043  19.420  -7.851
  147    HZ3  TRP  22           3HZ      TRP  22   0.207  16.628  -5.150
  148    HH2  TRP  22           HH       TRP  22   0.003  18.252  -7.003
  149    H    GLU  23           H        GLU  23   4.198  14.625  -1.472
  150    HA   GLU  23           HA       GLU  23   6.436  14.272   0.468
  151   1HB   GLU  23          1HB       GLU  23   4.386  15.086   1.481
  152   2HB   GLU  23          2HB       GLU  23   3.406  13.904   0.624
  153   1HG   GLU  23          1HG       GLU  23   3.527  13.224   2.856
  154   2HG   GLU  23          2HG       GLU  23   4.439  12.083   1.886
  155    HA   PRO  24           HA       PRO  24   6.562  10.381  -2.133
  156   1HB   PRO  24          1HB       PRO  24   8.792   9.265  -1.033
  157   2HB   PRO  24          2HB       PRO  24   8.857  10.606  -2.218
  158   1HG   PRO  24          1HG       PRO  24   9.045  10.783   0.805
  159   2HG   PRO  24          2HG       PRO  24  10.102  11.558  -0.418
  160   1HD   PRO  24          1HD       PRO  24   8.059  12.888   0.770
  161   2HD   PRO  24          2HD       PRO  24   8.451  13.170  -0.948
  162    H    ARG  25           H        ARG  25   5.283   8.780  -1.751
  163    HA   ARG  25           HA       ARG  25   5.361   7.348   0.843
  164   1HB   ARG  25          1HB       ARG  25   2.864   8.403  -0.557
  165   2HB   ARG  25          2HB       ARG  25   2.793   7.106   0.634
  166   1HG   ARG  25          1HG       ARG  25   3.869   9.905   1.199
  167   2HG   ARG  25          2HG       ARG  25   2.267   9.305   1.600
  168   1HD   ARG  25          1HD       ARG  25   3.221   7.542   3.005
  169   2HD   ARG  25          2HD       ARG  25   4.859   8.096   2.672
  170    HE   ARG  25           HE       ARG  25   2.824   9.378   4.342
  171   1HH1  ARG  25          2HH2      ARG  25   6.027   9.778   2.740
  172   2HH1  ARG  25          1HH2      ARG  25   6.409  11.191   3.603
  173   1HH2  ARG  25          2HH1      ARG  25   3.479  11.268   5.600
  174   2HH2  ARG  25          1HH1      ARG  25   4.937  12.065   5.154
  175    H    TRP  26           H        TRP  26   3.851   5.268   0.456
  176    HA   TRP  26           HA       TRP  26   4.743   4.048  -2.120
  177   1HB   TRP  26          1HB       TRP  26   4.955   3.093   0.753
  178   2HB   TRP  26          2HB       TRP  26   4.932   1.961  -0.595
  179    HD1  TRP  26           HD       TRP  26   7.062   4.895   0.760
  180    HE1  TRP  26           1HE      TRP  26   9.449   4.659  -0.114
  181    HE3  TRP  26           3HE      TRP  26   6.400   0.779  -2.166
  182    HZ2  TRP  26           2HZ      TRP  26  10.894   2.892  -1.962
  183    HZ3  TRP  26           3HZ      TRP  26   8.178   0.106  -3.781
  184    HH2  TRP  26           HH       TRP  26  10.442   0.965  -3.526
  185    H    ALA  27           H        ALA  27   3.240   2.580  -3.075
  186    HA   ALA  27           HA       ALA  27   0.748   2.046  -1.611
  187   1HB   ALA  27          1HB       ALA  27  -0.605   2.631  -3.644
  188   2HB   ALA  27          2HB       ALA  27   0.098   4.032  -2.839
  189   3HB   ALA  27          3HB       ALA  27   0.824   3.394  -4.347
  190    H    TYR  28           H        TYR  28  -0.232   0.166  -2.261
  191    HA   TYR  28           HA       TYR  28   1.422  -1.717  -3.799
  192   1HB   TYR  28          1HB       TYR  28   0.094  -2.395  -1.749
  193   2HB   TYR  28          2HB       TYR  28  -1.359  -2.027  -2.638
  194    HD1  TYR  28           1HD      TYR  28  -2.178  -3.527  -4.457
  195    HD2  TYR  28           2HD      TYR  28   1.346  -4.514  -2.171
  196    HE1  TYR  28           1HE      TYR  28  -2.401  -5.882  -5.143
  197    HE2  TYR  28           2HE      TYR  28   1.172  -6.846  -2.911
  198    HH   TYR  28           HH       TYR  28  -0.196  -8.461  -3.955
  199    H    SER  29           H        SER  29   0.935  -2.465  -5.833
  200    HA   SER  29           HA       SER  29  -1.375  -1.247  -7.244
  201   1HB   SER  29          1HB       SER  29   1.507  -1.571  -8.033
  202   2HB   SER  29          2HB       SER  29   0.297  -1.400  -9.276
  203    HG   SER  29           HG       SER  29   0.053   0.231  -7.042
  204    HA   PRO  30           HA       PRO  30  -2.037  -5.734  -7.319
  205   1HB   PRO  30          1HB       PRO  30  -4.583  -5.710  -8.361
  206   2HB   PRO  30          2HB       PRO  30  -4.228  -5.343  -6.641
  207   1HG   PRO  30          1HG       PRO  30  -4.700  -3.384  -8.889
  208   2HG   PRO  30          2HG       PRO  30  -5.388  -3.393  -7.237
  209   1HD   PRO  30          1HD       PRO  30  -3.250  -1.863  -7.896
  210   2HD   PRO  30          2HD       PRO  30  -3.388  -2.616  -6.281
  211    H    LEU  31           H        LEU  31  -2.649  -3.410  -9.924
  212    HA   LEU  31           HA       LEU  31  -2.462  -5.188 -12.143
  213   1HB   LEU  31          1HB       LEU  31  -2.151  -2.220 -11.786
  214   2HB   LEU  31          2HB       LEU  31  -1.816  -2.977 -13.339
  215    HG   LEU  31           HG       LEU  31  -4.438  -3.457 -11.872
  216   1HD1  LEU  31          1HD1      LEU  31  -5.408  -1.742 -13.330
  217   2HD1  LEU  31          2HD1      LEU  31  -4.166  -1.061 -12.261
  218   3HD1  LEU  31          3HD1      LEU  31  -3.787  -1.369 -13.975
  219   1HD2  LEU  31          1HD2      LEU  31  -3.961  -5.104 -13.665
  220   2HD2  LEU  31          2HD2      LEU  31  -5.268  -4.021 -14.155
  221   3HD2  LEU  31          3HD2      LEU  31  -3.632  -3.785 -14.803
  222    H    LEU  32           H        LEU  32   0.010  -4.073  -9.968
  223    HA   LEU  32           HA       LEU  32   2.143  -4.996 -11.839
  224   1HB   LEU  32          1HB       LEU  32   2.026  -3.010  -9.573
  225   2HB   LEU  32          2HB       LEU  32   3.556  -3.693 -10.033
  226    HG   LEU  32           HG       LEU  32   1.768  -2.257 -12.035
  227   1HD1  LEU  32          1HD1      LEU  32   3.311  -0.325 -11.764
  228   2HD1  LEU  32          2HD1      LEU  32   2.399  -0.666 -10.291
  229   3HD1  LEU  32          3HD1      LEU  32   4.108  -1.161 -10.413
  230   1HD2  LEU  32          1HD2      LEU  32   3.875  -2.070 -13.352
  231   2HD2  LEU  32          2HD2      LEU  32   4.726  -3.027 -12.118
  232   3HD2  LEU  32          3HD2      LEU  32   3.426  -3.751 -13.084
  233    H    GLN  33           H        GLN  33   0.188  -5.895  -9.292
  234    HA   GLN  33           HA       GLN  33   0.183  -7.188  -7.540
  235   1HB   GLN  33          1HB       GLN  33   0.566  -8.731  -9.566
  236   2HB   GLN  33          2HB       GLN  33   2.234  -8.884  -9.012
  237   1HG   GLN  33          1HG       GLN  33   0.499  -9.278  -6.743
  238   2HG   GLN  33          2HG       GLN  33  -0.183 -10.184  -8.087
  239   1HE2  GLN  33          1HE2      GLN  33   3.030  -9.654  -6.507
  240   2HE2  GLN  33          2HE2      GLN  33   3.518 -11.348  -6.641
  241    H    GLN  34           H        GLN  34   1.903  -4.929  -7.210
  242    HA   GLN  34           HA       GLN  34   3.751  -5.904  -5.152
  243   1HB   GLN  34          1HB       GLN  34   4.829  -6.216  -7.578
  244   2HB   GLN  34          2HB       GLN  34   4.992  -4.450  -7.492
  245   1HG   GLN  34          1HG       GLN  34   6.422  -4.599  -5.569
  246   2HG   GLN  34          2HG       GLN  34   6.193  -6.356  -5.483
  247   1HE2  GLN  34          1HE2      GLN  34   6.540  -7.158  -8.149
  248   2HE2  GLN  34          2HE2      GLN  34   8.182  -6.757  -8.628
  249    H    CYS  35           H        CYS  35   4.985  -4.007  -4.267
  250    HA   CYS  35           HA       CYS  35   3.328  -1.522  -4.403
  251   1HB   CYS  35          1HB       CYS  35   5.395  -2.445  -2.422
  252   2HB   CYS  35          2HB       CYS  35   4.728  -0.823  -2.426
  253    H    HIS  36           H        HIS  36   4.123   0.432  -4.671
  254    HA   HIS  36           HA       HIS  36   6.953   0.770  -5.510
  255   1HB   HIS  36          1HB       HIS  36   6.462   1.872  -7.598
  256   2HB   HIS  36          2HB       HIS  36   5.754   0.271  -7.599
  257    HD1  HIS  36           1HD      HIS  36   4.646   3.976  -7.155
  258    HD2  HIS  36           2HD      HIS  36   3.075   0.126  -8.082
  259    HE1  HIS  36           1HE      HIS  36   2.198   4.297  -7.841
  260    HE2  HIS  36           2HE      HIS  36   1.294   1.890  -8.371
  261    HA   PRO  37           HA       PRO  37   6.416   4.640  -3.351
  262   1HB   PRO  37          1HB       PRO  37   8.261   6.225  -4.849
  263   2HB   PRO  37          2HB       PRO  37   8.568   5.344  -3.333
  264   1HG   PRO  37          1HG       PRO  37   9.603   4.714  -5.949
  265   2HG   PRO  37          2HG       PRO  37   9.803   3.787  -4.438
  266   1HD   PRO  37          1HD       PRO  37   7.981   3.285  -6.697
  267   2HD   PRO  37          2HD       PRO  37   8.561   2.174  -5.432
  268    H    PHE  38           H        PHE  38   5.642   7.031  -3.793
  269    HA   PHE  38           HA       PHE  38   4.983   7.690  -6.498
  270   1HB   PHE  38          1HB       PHE  38   2.642   7.642  -6.430
  271   2HB   PHE  38          2HB       PHE  38   3.113   6.056  -5.878
  272    HD1  PHE  38           1HD      PHE  38   3.031   5.590  -3.280
  273    HD2  PHE  38           2HD      PHE  38   1.187   8.998  -5.176
  274    HE1  PHE  38           1HE      PHE  38   1.457   5.860  -1.362
  275    HE2  PHE  38           2HE      PHE  38  -0.279   9.292  -3.231
  276    HZ   PHE  38           HZ       PHE  38  -0.184   7.686  -1.330
  277    H    VAL  39           H        VAL  39   3.767   9.864  -6.458
  278    HA   VAL  39           HA       VAL  39   4.873  11.523  -4.282
  279    HB   VAL  39           HB       VAL  39   3.491  12.345  -6.903
  280   1HG1  VAL  39          1HG1      VAL  39   3.244  14.030  -5.155
  281   2HG1  VAL  39          2HG1      VAL  39   4.962  13.900  -4.746
  282   3HG1  VAL  39          3HG1      VAL  39   4.460  14.581  -6.315
  283   1HG2  VAL  39          1HG2      VAL  39   5.683  11.292  -7.384
  284   2HG2  VAL  39          2HG2      VAL  39   5.776  13.040  -7.608
  285   3HG2  VAL  39          3HG2      VAL  39   6.455  12.303  -6.142
  286    H    TYR  40           H        TYR  40   3.553  11.844  -2.565
  287    HA   TYR  40           HA       TYR  40   0.606  11.751  -2.906
  288   1HB   TYR  40          1HB       TYR  40   1.229  10.077  -1.367
  289   2HB   TYR  40          2HB       TYR  40   2.498  11.026  -0.669
  290    HD1  TYR  40           1HD      TYR  40   2.187  11.723   1.457
  291    HD2  TYR  40           2HD      TYR  40  -1.254  11.412  -1.138
  292    HE1  TYR  40           1HE      TYR  40   0.757  12.468   3.294
  293    HE2  TYR  40           2HE      TYR  40  -2.686  12.268   0.681
  294    HH   TYR  40           HH       TYR  40  -2.624  13.339   2.761
  295    H    GLY  41           H        GLY  41  -0.457  13.597  -1.554
  296   1HA   GLY  41          1HA       GLY  41   1.155  16.029  -2.008
  297   2HA   GLY  41          2HA       GLY  41  -0.572  15.920  -2.036
  298    H    GLY  42           H        GLY  42   0.478  14.204   0.675
  299   1HA   GLY  42          1HA       GLY  42   0.876  14.630   2.857
  300   2HA   GLY  42          2HA       GLY  42   1.242  16.307   2.478
  301    H    CYS  43           H        CYS  43  -1.649  16.323   1.252
  302    HA   CYS  43           HA       CYS  43  -3.237  16.471   3.741
  303   1HB   CYS  43          1HB       CYS  43  -4.436  18.269   2.896
  304   2HB   CYS  43          2HB       CYS  43  -2.749  18.633   2.641
  305    H    GLU  44           H        GLU  44  -5.779  16.459   2.597
  306    HA   GLU  44           HA       GLU  44  -6.604  13.946   2.747
  307   1HB   GLU  44          1HB       GLU  44  -7.735  15.781   0.625
  308   2HB   GLU  44          2HB       GLU  44  -8.522  14.428   1.430
  309   1HG   GLU  44          1HG       GLU  44  -9.392  16.155   2.619
  310   2HG   GLU  44          2HG       GLU  44  -8.032  15.751   3.647
  311    H    GLY  45           H        GLY  45  -6.634  12.001   1.585
  312   1HA   GLY  45          1HA       GLY  45  -6.090  11.730  -1.210
  313   2HA   GLY  45          2HA       GLY  45  -4.687  11.341  -0.212
  314    H    ASN  46           H        ASN  46  -5.221   9.059  -1.153
  315    HA   ASN  46           HA       ASN  46  -7.608   7.837   0.128
  316   1HB   ASN  46          1HB       ASN  46  -5.649   6.407  -1.685
  317   2HB   ASN  46          2HB       ASN  46  -7.204   5.867  -1.167
  318   1HD2  ASN  46          1HD2      ASN  46  -7.034   5.589  -3.805
  319   2HD2  ASN  46          2HD2      ASN  46  -7.932   6.908  -4.541
  320    H    GLY  47           H        GLY  47  -7.084   5.480   0.684
  321   1HA   GLY  47          1HA       GLY  47  -5.415   5.623   3.126
  322   2HA   GLY  47          2HA       GLY  47  -6.602   4.370   2.743
  323    H    ASN  48           H        ASN  48  -5.040   4.414  -0.071
  324    HA   ASN  48           HA       ASN  48  -3.141   2.268   0.661
  325   1HB   ASN  48          1HB       ASN  48  -4.600   2.011  -1.263
  326   2HB   ASN  48          2HB       ASN  48  -3.978   3.396  -2.068
  327   1HD2  ASN  48          1HD2      ASN  48  -3.722   1.309  -3.556
  328   2HD2  ASN  48          2HD2      ASN  48  -2.208   0.441  -3.541
  329    H    ASN  49           H        ASN  49  -1.989   3.747   2.025
  330    HA   ASN  49           HA       ASN  49   0.022   5.414   0.631
  331   1HB   ASN  49          1HB       ASN  49  -1.992   6.807   1.262
  332   2HB   ASN  49          2HB       ASN  49  -1.769   6.327   2.943
  333   1HD2  ASN  49          1HD2      ASN  49  -1.591   8.978   1.394
  334   2HD2  ASN  49          2HD2      ASN  49  -0.080   9.674   1.911
  335    H    PHE  50           H        PHE  50   1.792   4.363   1.304
  336    HA   PHE  50           HA       PHE  50   2.019   3.404   4.100
  337   1HB   PHE  50          1HB       PHE  50   3.088   2.258   1.501
  338   2HB   PHE  50          2HB       PHE  50   3.595   1.667   3.015
  339    HD1  PHE  50           1HD      PHE  50   1.762   0.899   4.740
  340    HD2  PHE  50           2HD      PHE  50   0.919   1.543   0.555
  341    HE1  PHE  50           1HE      PHE  50  -0.400  -0.257   4.990
  342    HE2  PHE  50           2HE      PHE  50  -1.210   0.291   0.812
  343    HZ   PHE  50           HZ       PHE  50  -1.892  -0.569   3.029
  344    H    HIS  51           H        HIS  51   4.299   3.177   4.805
  345    HA   HIS  51           HA       HIS  51   5.465   5.876   4.485
  346   1HB   HIS  51          1HB       HIS  51   6.348   3.687   6.385
  347   2HB   HIS  51          2HB       HIS  51   6.580   5.406   6.529
  348    HD1  HIS  51           1HD      HIS  51   4.153   6.782   7.265
  349    HD2  HIS  51           2HD      HIS  51   4.225   2.576   7.220
  350    HE1  HIS  51           1HE      HIS  51   1.988   6.001   8.461
  351    HE2  HIS  51           2HE      HIS  51   2.055   3.415   8.451
  352    H    SER  52           H        SER  52   6.004   2.596   3.528
  353    HA   SER  52           HA       SER  52   8.596   3.171   2.313
  354   1HB   SER  52          1HB       SER  52   9.597   1.245   3.784
  355   2HB   SER  52          2HB       SER  52   9.430   2.840   4.517
  356    HG   SER  52           HG       SER  52   8.620   1.093   5.865
  357    H    ARG  53           H        ARG  53   9.457   1.042   1.467
  358    HA   ARG  53           HA       ARG  53   7.539  -0.397  -0.134
  359   1HB   ARG  53          1HB       ARG  53   9.920  -0.130  -0.733
  360   2HB   ARG  53          2HB       ARG  53  10.392  -1.049   0.697
  361   1HG   ARG  53          1HG       ARG  53  10.475  -2.420  -1.236
  362   2HG   ARG  53          2HG       ARG  53   9.233  -3.044  -0.162
  363   1HD   ARG  53          1HD       ARG  53   7.540  -1.885  -1.691
  364   2HD   ARG  53          2HD       ARG  53   8.856  -1.483  -2.751
  365    HE   ARG  53           HE       ARG  53   8.229  -4.297  -1.931
  366   1HH1  ARG  53          2HH2      ARG  53   8.273  -2.304  -4.817
  367   2HH1  ARG  53          1HH2      ARG  53   8.900  -3.597  -5.784
  368   1HH2  ARG  53          2HH1      ARG  53   8.466  -5.869  -3.236
  369   2HH2  ARG  53          1HH1      ARG  53   8.980  -5.709  -4.911
  370    H    GLU  54           H        GLU  54   9.300  -1.093   2.811
  371    HA   GLU  54           HA       GLU  54   8.477  -3.567   3.656
  372   1HB   GLU  54          1HB       GLU  54  10.201  -2.385   4.680
  373   2HB   GLU  54          2HB       GLU  54   9.393  -0.885   4.699
  374   1HG   GLU  54          1HG       GLU  54   8.250  -2.843   6.628
  375   2HG   GLU  54          2HG       GLU  54   9.966  -2.463   6.887
  376    H    SER  55           H        SER  55   7.047  -0.692   5.134
  377    HA   SER  55           HA       SER  55   4.905  -1.999   6.112
  378   1HB   SER  55          1HB       SER  55   3.627   0.257   6.106
  379   2HB   SER  55          2HB       SER  55   5.120   0.096   7.018
  380    HG   SER  55           HG       SER  55   6.234   1.139   5.416
  381    H    CYS  56           H        CYS  56   5.065  -0.942   2.841
  382    HA   CYS  56           HA       CYS  56   2.231  -1.284   2.289
  383   1HB   CYS  56          1HB       CYS  56   4.154   0.120   1.054
  384   2HB   CYS  56          2HB       CYS  56   4.669  -1.391   0.407
  385    H    GLU  57           H        GLU  57   5.146  -3.237   1.715
  386    HA   GLU  57           HA       GLU  57   3.419  -5.331   0.579
  387   1HB   GLU  57          1HB       GLU  57   6.409  -5.309   1.045
  388   2HB   GLU  57          2HB       GLU  57   5.468  -6.711   0.458
  389   1HG   GLU  57          1HG       GLU  57   4.376  -5.072  -1.242
  390   2HG   GLU  57          2HG       GLU  57   5.618  -3.914  -0.768
  391    H    ASP  58           H        ASP  58   4.730  -4.540   3.763
  392    HA   ASP  58           HA       ASP  58   3.874  -6.908   5.087
  393   1HB   ASP  58          1HB       ASP  58   5.306  -5.193   6.114
  394   2HB   ASP  58          2HB       ASP  58   3.995  -4.017   6.018
  395    H    ALA  59           H        ALA  59   2.011  -3.877   4.059
  396    HA   ALA  59           HA       ALA  59  -0.384  -4.851   5.301
  397   1HB   ALA  59          1HB       ALA  59  -0.026  -2.902   2.990
  398   2HB   ALA  59          2HB       ALA  59  -1.500  -3.137   3.954
  399   3HB   ALA  59          3HB       ALA  59  -0.027  -2.514   4.729
  400    H    CYS  60           H        CYS  60   0.932  -5.319   1.967
  401    HA   CYS  60           HA       CYS  60  -1.110  -7.473   1.670
  402   1HB   CYS  60          1HB       CYS  60  -0.566  -5.206  -0.217
  403   2HB   CYS  60          2HB       CYS  60  -1.089  -6.763  -0.835
  404    HA   PRO  61           HA       PRO  61   3.043  -9.138   0.726
  405   1HB   PRO  61          1HB       PRO  61   3.383 -10.916   2.773
  406   2HB   PRO  61          2HB       PRO  61   3.485  -9.174   3.078
  407   1HG   PRO  61          1HG       PRO  61   1.084 -10.983   3.481
  408   2HG   PRO  61          2HG       PRO  61   1.779  -9.788   4.625
  409   1HD   PRO  61          1HD       PRO  61  -0.359  -9.240   2.966
  410   2HD   PRO  61          2HD       PRO  61   0.801  -7.999   3.486
  411    H    VAL  62           H        VAL  62   0.866  -9.779  -0.782
  412    HA   VAL  62           HA       VAL  62   1.053 -12.723  -1.043
  413    HB   VAL  62           HB       VAL  62  -1.715 -11.510  -0.998
  414   1HG1  VAL  62          1HG1      VAL  62  -1.701 -13.740  -1.888
  415   2HG1  VAL  62          2HG1      VAL  62  -0.692 -14.333  -0.537
  416   3HG1  VAL  62          3HG1      VAL  62  -2.374 -13.838  -0.280
  417   1HG2  VAL  62          1HG2      VAL  62  -2.100 -12.258   1.338
  418   2HG2  VAL  62          2HG2      VAL  62  -0.367 -12.607   1.505
  419   3HG2  VAL  62          3HG2      VAL  62  -0.942 -10.943   1.256
  420    H    VAL  63           H        VAL  63  -0.184 -13.457  -2.901
  421    HA   VAL  63           HA       VAL  63   0.515 -12.112  -5.365
  422    HB   VAL  63           HB       VAL  63  -1.324 -14.433  -4.727
  423   1HG1  VAL  63          1HG1      VAL  63  -0.197 -13.738  -7.450
  424   2HG1  VAL  63          2HG1      VAL  63  -1.075 -15.217  -7.038
  425   3HG1  VAL  63          3HG1      VAL  63  -1.904 -13.667  -6.951
  426   1HG2  VAL  63          1HG2      VAL  63   1.010 -14.936  -4.051
  427   2HG2  VAL  63          2HG2      VAL  63   0.561 -15.908  -5.452
  428   3HG2  VAL  63          3HG2      VAL  63   1.579 -14.468  -5.667
  429    H    ASP  64           H        ASP  64  -1.263 -11.398  -6.877
  430    HA   ASP  64           HA       ASP  64  -2.836  -9.536  -5.337
  431   1HB   ASP  64          1HB       ASP  64  -2.138  -8.781  -7.528
  432   2HB   ASP  64          2HB       ASP  64  -3.120 -10.043  -8.311
  433    H    HIS  65           H        HIS  65  -4.866  -9.387  -5.042
  434    HA   HIS  65           HA       HIS  65  -6.348 -11.517  -4.025
  435   1HB   HIS  65          1HB       HIS  65  -7.482  -8.799  -4.779
  436   2HB   HIS  65          2HB       HIS  65  -7.918  -9.813  -3.413
  437    HD1  HIS  65           1HD      HIS  65  -4.930  -7.579  -4.628
  438    HD2  HIS  65           2HD      HIS  65  -6.519  -9.401  -1.127
  439    HE1  HIS  65           1HE      HIS  65  -3.495  -6.796  -2.660
  440    HE2  HIS  65           2HE      HIS  65  -4.508  -7.795  -0.529
  441    H    HIS  66           H        HIS  66  -6.068 -10.702  -7.230
  442    HA   HIS  66           HA       HIS  66  -8.446 -10.642  -8.484
  443   1HB   HIS  66          1HB       HIS  66  -5.739 -10.697  -9.173
  444   2HB   HIS  66          2HB       HIS  66  -6.323 -12.140  -9.943
  445    HD1  HIS  66           1HD      HIS  66  -8.774 -11.594 -11.356
  446    HD2  HIS  66           2HD      HIS  66  -6.086  -8.481 -10.432
  447    HE1  HIS  66           1HE      HIS  66  -9.366  -9.603 -12.958
  448    HE2  HIS  66           2HE      HIS  66  -7.692  -7.714 -12.361
  449    H    HIS  67           H        HIS  67  -8.163 -13.260  -6.662
  450    HA   HIS  67           HA       HIS  67  -8.834 -15.418  -8.549
  451   1HB   HIS  67          1HB       HIS  67  -7.679 -15.888  -6.378
  452   2HB   HIS  67          2HB       HIS  67  -9.064 -15.234  -5.508
  453    HD1  HIS  67           1HD      HIS  67 -10.758 -17.063  -4.747
  454    HD2  HIS  67           2HD      HIS  67  -8.647 -18.023  -8.294
  455    HE1  HIS  67           1HE      HIS  67 -11.667 -19.300  -5.585
  456    HE2  HIS  67           2HE      HIS  67 -10.509 -19.822  -7.751
  457    H    HIS  68           H        HIS  68 -11.204 -16.543  -7.861
  458    HA   HIS  68           HA       HIS  68 -13.186 -14.392  -7.667
  459   1HB   HIS  68          1HB       HIS  68 -12.488 -15.957 -10.109
  460   2HB   HIS  68          2HB       HIS  68 -14.191 -15.993  -9.732
  461    HD1  HIS  68           1HD      HIS  68 -12.934 -12.685  -8.612
  462    HD2  HIS  68           2HD      HIS  68 -14.810 -14.528 -11.882
  463    HE1  HIS  68           1HE      HIS  68 -14.026 -10.909  -9.893
  464    HE2  HIS  68           2HE      HIS  68 -15.253 -12.027 -11.834
  465    H    HIS  69           H        HIS  69 -15.457 -15.616  -7.995
  466    HA   HIS  69           HA       HIS  69 -15.952 -17.062  -5.625
  467   1HB   HIS  69          1HB       HIS  69 -17.597 -17.283  -8.180
  468   2HB   HIS  69          2HB       HIS  69 -18.149 -17.558  -6.534
  469    HD1  HIS  69           1HD      HIS  69 -18.590 -15.253  -5.021
  470    HD2  HIS  69           2HD      HIS  69 -17.265 -14.713  -9.024
  471    HE1  HIS  69           1HE      HIS  69 -18.673 -12.745  -5.524
  472    HE2  HIS  69           2HE      HIS  69 -17.637 -12.478  -7.876
  473    H    HIS  70           H        HIS  70 -14.208 -18.261  -8.325
  474    HA   HIS  70           HA       HIS  70 -14.253 -20.921  -7.357
  475   1HB   HIS  70          1HB       HIS  70 -16.019 -20.864  -9.224
  476   2HB   HIS  70          2HB       HIS  70 -14.721 -20.367 -10.324
  477    HD1  HIS  70           1HD      HIS  70 -12.502 -22.358  -9.127
  478    HD2  HIS  70           2HD      HIS  70 -16.501 -23.295 -10.119
  479    HE1  HIS  70           1HE      HIS  70 -12.575 -24.936  -9.605
  480    HE2  HIS  70           2HE      HIS  70 -15.038 -25.474 -10.190
  Start of MODEL   18
    1   1H    GLU   1          1H        GLU   1 -16.817  -4.599 -10.054
    2   2H    GLU   1          2H        GLU   1 -16.086  -4.551 -11.547
    3   3H    GLU   1          H         GLU   1 -15.206  -4.519 -10.126
    4    HA   GLU   1           HA       GLU   1 -16.889  -6.747 -10.989
    5   1HB   GLU   1          1HB       GLU   1 -13.857  -6.421 -11.151
    6   2HB   GLU   1          2HB       GLU   1 -14.652  -7.992 -11.129
    7   1HG   GLU   1          1HG       GLU   1 -14.215  -7.515 -13.403
    8   2HG   GLU   1          2HG       GLU   1 -15.958  -7.362 -13.165
    9    H    ALA   2           H        ALA   2 -17.108  -8.344  -9.445
   10    HA   ALA   2           HA       ALA   2 -17.670  -7.647  -7.053
   11   1HB   ALA   2          1HB       ALA   2 -18.241  -9.822  -7.984
   12   2HB   ALA   2          2HB       ALA   2 -16.588 -10.417  -7.674
   13   3HB   ALA   2          3HB       ALA   2 -17.651  -9.985  -6.319
   14    H    GLU   3           H        GLU   3 -14.367  -9.076  -7.508
   15    HA   GLU   3           HA       GLU   3 -13.700  -8.931  -4.733
   16   1HB   GLU   3          1HB       GLU   3 -11.982  -9.149  -7.239
   17   2HB   GLU   3          2HB       GLU   3 -11.342  -9.239  -5.590
   18   1HG   GLU   3          1HG       GLU   3 -12.866 -11.169  -5.120
   19   2HG   GLU   3          2HG       GLU   3 -13.387 -11.141  -6.808
   20    H    ALA   4           H        ALA   4 -13.774  -6.450  -7.149
   21    HA   ALA   4           HA       ALA   4 -11.824  -4.719  -5.751
   22   1HB   ALA   4          1HB       ALA   4 -11.707  -3.512  -7.846
   23   2HB   ALA   4          2HB       ALA   4 -11.385  -5.237  -8.107
   24   3HB   ALA   4          3HB       ALA   4 -12.966  -4.541  -8.549
   25    H    GLU   5           H        GLU   5 -15.256  -5.099  -5.895
   26    HA   GLU   5           HA       GLU   5 -15.979  -2.362  -6.300
   27   1HB   GLU   5          1HB       GLU   5 -17.657  -4.195  -4.587
   28   2HB   GLU   5          2HB       GLU   5 -18.181  -2.908  -5.655
   29   1HG   GLU   5          1HG       GLU   5 -17.129  -5.629  -6.451
   30   2HG   GLU   5          2HG       GLU   5 -18.812  -5.145  -6.425
   31    H    PHE   6           H        PHE   6 -15.144  -4.183  -3.401
   32    HA   PHE   6           HA       PHE   6 -14.725  -1.794  -1.802
   33   1HB   PHE   6          1HB       PHE   6 -17.095  -2.283  -1.304
   34   2HB   PHE   6          2HB       PHE   6 -16.711  -3.966  -0.975
   35    HD1  PHE   6           1HD      PHE   6 -15.643  -4.640   1.122
   36    HD2  PHE   6           2HD      PHE   6 -16.408  -0.486   0.273
   37    HE1  PHE   6           1HE      PHE   6 -15.209  -4.077   3.499
   38    HE2  PHE   6           2HE      PHE   6 -15.972   0.080   2.652
   39    HZ   PHE   6           HZ       PHE   6 -15.373  -1.715   4.272
   40    H    THR   7           H        THR   7 -12.566  -2.282  -1.356
   41    HA   THR   7           HA       THR   7 -11.901  -5.069  -0.565
   42    HB   THR   7           HB       THR   7 -10.301  -3.434  -2.584
   43    HG1  THR   7           1HG      THR   7 -12.009  -5.413  -3.568
   44   1HG2  THR   7          1HG2      THR   7  -9.073  -5.396  -1.872
   45   2HG2  THR   7          2HG2      THR   7 -10.523  -6.428  -2.022
   46   3HG2  THR   7          3HG2      THR   7  -9.740  -5.762  -3.461
   47    H    ASP   8           H        ASP   8  -9.390  -5.013  -0.099
   48    HA   ASP   8           HA       ASP   8  -8.803  -3.256   2.100
   49   1HB   ASP   8          1HB       ASP   8  -7.832  -5.548   1.716
   50   2HB   ASP   8          2HB       ASP   8  -6.971  -4.933   0.303
   51    H    ALA   9           H        ALA   9  -7.489  -1.368   2.026
   52    HA   ALA   9           HA       ALA   9  -7.834   0.317  -0.222
   53   1HB   ALA   9          1HB       ALA   9  -7.382   1.188   2.070
   54   2HB   ALA   9          2HB       ALA   9  -5.706   0.577   1.948
   55   3HB   ALA   9          3HB       ALA   9  -6.273   1.843   0.848
   56    H    CYS  10           H        CYS  10  -5.281  -2.061   0.483
   57    HA   CYS  10           HA       CYS  10  -3.263  -0.963  -1.160
   58   1HB   CYS  10          1HB       CYS  10  -2.218  -3.062  -0.967
   59   2HB   CYS  10          2HB       CYS  10  -3.135  -2.826   0.508
   60    H    VAL  11           H        VAL  11  -6.232  -2.644  -2.123
   61    HA   VAL  11           HA       VAL  11  -5.322  -3.068  -4.886
   62    HB   VAL  11           HB       VAL  11  -8.010  -3.382  -3.487
   63   1HG1  VAL  11          1HG1      VAL  11  -7.288  -4.296  -6.305
   64   2HG1  VAL  11          2HG1      VAL  11  -8.783  -4.665  -5.426
   65   3HG1  VAL  11          3HG1      VAL  11  -8.437  -3.005  -5.893
   66   1HG2  VAL  11          1HG2      VAL  11  -5.845  -5.355  -4.362
   67   2HG2  VAL  11          2HG2      VAL  11  -6.381  -5.008  -2.701
   68   3HG2  VAL  11          3HG2      VAL  11  -7.456  -5.845  -3.821
   69    H    LEU  12           H        LEU  12  -6.848  -0.517  -3.043
   70    HA   LEU  12           HA       LEU  12  -8.159   0.793  -5.203
   71   1HB   LEU  12          1HB       LEU  12  -9.156   1.336  -3.463
   72   2HB   LEU  12          2HB       LEU  12  -7.786   1.281  -2.337
   73    HG   LEU  12           HG       LEU  12  -7.249   3.631  -3.140
   74   1HD1  LEU  12          1HD1      LEU  12  -9.823   3.160  -4.721
   75   2HD1  LEU  12          2HD1      LEU  12  -9.490   4.765  -4.076
   76   3HD1  LEU  12          3HD1      LEU  12  -8.348   4.045  -5.198
   77   1HD2  LEU  12          1HD2      LEU  12  -9.166   4.585  -1.814
   78   2HD2  LEU  12          2HD2      LEU  12  -9.967   3.013  -1.899
   79   3HD2  LEU  12          3HD2      LEU  12  -8.417   3.165  -1.054
   80    HA   PRO  13           HA       PRO  13  -4.593   2.635  -7.137
   81   1HB   PRO  13          1HB       PRO  13  -6.632   4.749  -7.809
   82   2HB   PRO  13          2HB       PRO  13  -5.434   3.974  -8.884
   83   1HG   PRO  13          1HG       PRO  13  -8.059   3.204  -8.929
   84   2HG   PRO  13          2HG       PRO  13  -6.735   2.006  -9.090
   85   1HD   PRO  13          1HD       PRO  13  -8.457   2.553  -6.672
   86   2HD   PRO  13          2HD       PRO  13  -7.739   1.044  -7.224
   87    H    ALA  14           H        ALA  14  -3.344   4.574  -6.966
   88    HA   ALA  14           HA       ALA  14  -3.533   5.896  -4.329
   89   1HB   ALA  14          1HB       ALA  14  -1.329   6.825  -4.931
   90   2HB   ALA  14          2HB       ALA  14  -1.329   5.064  -5.105
   91   3HB   ALA  14          3HB       ALA  14  -1.441   6.107  -6.549
   92    H    VAL  15           H        VAL  15  -3.434   8.258  -4.211
   93    HA   VAL  15           HA       VAL  15  -4.199   9.820  -6.571
   94    HB   VAL  15           HB       VAL  15  -5.703   9.621  -3.956
   95   1HG1  VAL  15          1HG1      VAL  15  -5.910  11.957  -5.875
   96   2HG1  VAL  15          2HG1      VAL  15  -7.062  11.582  -4.573
   97   3HG1  VAL  15          3HG1      VAL  15  -5.409  11.985  -4.158
   98   1HG2  VAL  15          1HG2      VAL  15  -7.696   9.428  -5.420
   99   2HG2  VAL  15          2HG2      VAL  15  -6.675   9.661  -6.858
  100   3HG2  VAL  15          3HG2      VAL  15  -6.500   8.205  -5.866
  101    H    GLN  16           H        GLN  16  -3.469  11.925  -6.298
  102    HA   GLN  16           HA       GLN  16  -1.054  12.175  -4.639
  103   1HB   GLN  16          1HB       GLN  16  -2.338  14.242  -6.491
  104   2HB   GLN  16          2HB       GLN  16  -0.794  14.388  -5.647
  105   1HG   GLN  16          1HG       GLN  16  -0.083  12.233  -6.895
  106   2HG   GLN  16          2HG       GLN  16  -1.528  12.448  -7.872
  107   1HE2  GLN  16          1HE2      GLN  16   1.131  14.704  -6.668
  108   2HE2  GLN  16          2HE2      GLN  16   1.414  15.326  -8.279
  109    H    GLY  17           H        GLY  17  -3.950  14.281  -5.037
  110   1HA   GLY  17          1HA       GLY  17  -5.357  14.559  -2.945
  111   2HA   GLY  17          2HA       GLY  17  -3.832  15.046  -2.178
  112    HA   PRO  18           HA       PRO  18  -5.823  18.532  -4.662
  113   1HB   PRO  18          1HB       PRO  18  -6.951  20.118  -2.736
  114   2HB   PRO  18          2HB       PRO  18  -7.760  18.670  -3.405
  115   1HG   PRO  18          1HG       PRO  18  -6.190  18.900  -0.824
  116   2HG   PRO  18          2HG       PRO  18  -7.790  18.142  -1.084
  117   1HD   PRO  18          1HD       PRO  18  -5.460  16.692  -1.034
  118   2HD   PRO  18          2HD       PRO  18  -6.833  16.231  -2.069
  119    H    CYS  19           H        CYS  19  -3.539  18.424  -2.054
  120    HA   CYS  19           HA       CYS  19  -2.829  21.214  -2.044
  121   1HB   CYS  19          1HB       CYS  19  -1.445  18.762  -0.895
  122   2HB   CYS  19          2HB       CYS  19  -0.919  20.419  -0.611
  123    H    ARG  20           H        ARG  20  -0.234  21.538  -2.160
  124    HA   ARG  20           HA       ARG  20   0.774  20.454  -4.724
  125   1HB   ARG  20          1HB       ARG  20   0.513  23.379  -3.984
  126   2HB   ARG  20          2HB       ARG  20   1.785  22.795  -5.035
  127   1HG   ARG  20          1HG       ARG  20   0.410  22.892  -6.775
  128   2HG   ARG  20          2HG       ARG  20  -0.543  21.582  -6.115
  129   1HD   ARG  20          1HD       ARG  20  -0.975  24.531  -5.506
  130   2HD   ARG  20          2HD       ARG  20  -1.803  23.646  -6.789
  131    HE   ARG  20           HE       ARG  20  -2.651  22.106  -4.947
  132   1HH1  ARG  20          2HH2      ARG  20  -2.152  25.593  -4.456
  133   2HH1  ARG  20          1HH2      ARG  20  -3.468  25.775  -3.349
  134   1HH2  ARG  20          2HH1      ARG  20  -4.430  22.366  -3.570
  135   2HH2  ARG  20          1HH1      ARG  20  -4.796  23.859  -2.784
  136    H    GLY  21           H        GLY  21   1.225  20.264  -1.734
  137   1HA   GLY  21          1HA       GLY  21   4.183  20.694  -1.557
  138   2HA   GLY  21          2HA       GLY  21   3.106  20.242  -0.189
  139    H    TRP  22           H        TRP  22   5.384  18.424  -1.137
  140    HA   TRP  22           HA       TRP  22   3.798  16.239  -2.233
  141   1HB   TRP  22          1HB       TRP  22   6.475  17.202  -3.279
  142   2HB   TRP  22          2HB       TRP  22   5.662  15.740  -3.775
  143    HD1  TRP  22           HD       TRP  22   6.395  18.805  -5.187
  144    HE1  TRP  22           1HE      TRP  22   4.633  19.853  -6.703
  145    HE3  TRP  22           3HE      TRP  22   2.335  15.974  -3.834
  146    HZ2  TRP  22           2HZ      TRP  22   1.807  19.550  -7.246
  147    HZ3  TRP  22           3HZ      TRP  22   0.112  16.438  -4.812
  148    HH2  TRP  22           HH       TRP  22  -0.167  18.212  -6.514
  149    H    GLU  23           H        GLU  23   4.075  14.635  -1.178
  150    HA   GLU  23           HA       GLU  23   6.217  14.126   0.827
  151   1HB   GLU  23          1HB       GLU  23   4.167  14.892   1.853
  152   2HB   GLU  23          2HB       GLU  23   3.178  13.844   0.842
  153   1HG   GLU  23          1HG       GLU  23   3.132  12.918   2.951
  154   2HG   GLU  23          2HG       GLU  23   4.105  11.859   1.947
  155    HA   PRO  24           HA       PRO  24   6.384  10.413  -2.045
  156   1HB   PRO  24          1HB       PRO  24   8.565   9.223  -0.960
  157   2HB   PRO  24          2HB       PRO  24   8.691  10.667  -2.010
  158   1HG   PRO  24          1HG       PRO  24   8.748  10.558   1.022
  159   2HG   PRO  24          2HG       PRO  24   9.861  11.434  -0.076
  160   1HD   PRO  24          1HD       PRO  24   7.758  12.651   1.150
  161   2HD   PRO  24          2HD       PRO  24   8.258  13.115  -0.502
  162    H    ARG  25           H        ARG  25   5.225   8.729  -1.856
  163    HA   ARG  25           HA       ARG  25   5.136   7.204   0.677
  164   1HB   ARG  25          1HB       ARG  25   2.740   8.192  -0.938
  165   2HB   ARG  25          2HB       ARG  25   2.612   6.836   0.182
  166   1HG   ARG  25          1HG       ARG  25   3.506   9.634   0.981
  167   2HG   ARG  25          2HG       ARG  25   1.885   8.970   1.178
  168   1HD   ARG  25          1HD       ARG  25   2.773   7.155   2.602
  169   2HD   ARG  25          2HD       ARG  25   4.403   7.815   2.472
  170    HE   ARG  25           HE       ARG  25   2.081   8.888   3.883
  171   1HH1  ARG  25          2HH2      ARG  25   5.460   9.475   2.809
  172   2HH1  ARG  25          1HH2      ARG  25   5.734  10.784   3.837
  173   1HH2  ARG  25          2HH1      ARG  25   2.468  10.820   5.210
  174   2HH2  ARG  25          1HH1      ARG  25   4.019  11.576   5.177
  175    H    TRP  26           H        TRP  26   3.916   5.112   0.173
  176    HA   TRP  26           HA       TRP  26   4.767   3.994  -2.434
  177   1HB   TRP  26          1HB       TRP  26   4.980   2.863   0.389
  178   2HB   TRP  26          2HB       TRP  26   5.018   1.844  -1.040
  179    HD1  TRP  26           HD       TRP  26   7.010   4.791   0.506
  180    HE1  TRP  26           1HE      TRP  26   9.449   4.630  -0.227
  181    HE3  TRP  26           3HE      TRP  26   6.689   0.594  -2.351
  182    HZ2  TRP  26           2HZ      TRP  26  11.036   2.973  -2.047
  183    HZ3  TRP  26           3HZ      TRP  26   8.535   0.025  -3.946
  184    HH2  TRP  26           HH       TRP  26  10.749   1.103  -3.683
  185    H    ALA  27           H        ALA  27   3.159   2.680  -3.366
  186    HA   ALA  27           HA       ALA  27   0.699   2.144  -1.803
  187   1HB   ALA  27          1HB       ALA  27  -0.636   2.632  -3.911
  188   2HB   ALA  27          2HB       ALA  27  -0.015   4.053  -3.080
  189   3HB   ALA  27          3HB       ALA  27   0.793   3.453  -4.559
  190    H    TYR  28           H        TYR  28  -0.275   0.198  -2.388
  191    HA   TYR  28           HA       TYR  28   1.430  -1.668  -3.889
  192   1HB   TYR  28          1HB       TYR  28   0.204  -2.416  -1.829
  193   2HB   TYR  28          2HB       TYR  28  -1.296  -2.071  -2.634
  194    HD1  TYR  28           1HD      TYR  28  -2.418  -3.825  -3.830
  195    HD2  TYR  28           2HD      TYR  28   1.803  -4.227  -3.033
  196    HE1  TYR  28           1HE      TYR  28  -2.461  -6.082  -4.754
  197    HE2  TYR  28           2HE      TYR  28   1.768  -6.482  -3.999
  198    HH   TYR  28           HH       TYR  28  -1.196  -8.108  -4.948
  199    H    SER  29           H        SER  29   0.961  -2.534  -5.867
  200    HA   SER  29           HA       SER  29  -1.413  -1.542  -7.314
  201   1HB   SER  29          1HB       SER  29   1.479  -1.650  -8.119
  202   2HB   SER  29          2HB       SER  29   0.241  -1.596  -9.347
  203    HG   SER  29           HG       SER  29  -0.215   0.055  -7.199
  204    HA   PRO  30           HA       PRO  30  -1.735  -6.062  -7.202
  205   1HB   PRO  30          1HB       PRO  30  -4.253  -6.288  -8.308
  206   2HB   PRO  30          2HB       PRO  30  -3.955  -5.889  -6.590
  207   1HG   PRO  30          1HG       PRO  30  -4.550  -3.987  -8.869
  208   2HG   PRO  30          2HG       PRO  30  -5.255  -4.004  -7.226
  209   1HD   PRO  30          1HD       PRO  30  -3.243  -2.330  -7.896
  210   2HD   PRO  30          2HD       PRO  30  -3.310  -3.072  -6.270
  211    H    LEU  31           H        LEU  31  -2.497  -3.955  -9.980
  212    HA   LEU  31           HA       LEU  31  -2.114  -5.897 -12.030
  213   1HB   LEU  31          1HB       LEU  31  -2.144  -2.895 -11.945
  214   2HB   LEU  31          2HB       LEU  31  -1.694  -3.742 -13.422
  215    HG   LEU  31           HG       LEU  31  -4.273  -4.379 -11.937
  216   1HD1  LEU  31          1HD1      LEU  31  -4.263  -2.016 -12.568
  217   2HD1  LEU  31          2HD1      LEU  31  -3.819  -2.451 -14.241
  218   3HD1  LEU  31          3HD1      LEU  31  -5.397  -2.938 -13.572
  219   1HD2  LEU  31          1HD2      LEU  31  -4.986  -5.254 -14.162
  220   2HD2  LEU  31          2HD2      LEU  31  -3.372  -4.908 -14.815
  221   3HD2  LEU  31          3HD2      LEU  31  -3.590  -6.134 -13.551
  222    H    LEU  32           H        LEU  32   0.198  -4.326  -9.974
  223    HA   LEU  32           HA       LEU  32   2.443  -5.095 -11.784
  224   1HB   LEU  32          1HB       LEU  32   2.081  -3.118  -9.546
  225   2HB   LEU  32          2HB       LEU  32   3.685  -3.646  -9.960
  226    HG   LEU  32           HG       LEU  32   1.816  -2.408 -12.021
  227   1HD1  LEU  32          1HD1      LEU  32   3.199  -0.352 -11.766
  228   2HD1  LEU  32          2HD1      LEU  32   2.266  -0.730 -10.320
  229   3HD1  LEU  32          3HD1      LEU  32   4.013  -1.091 -10.367
  230   1HD2  LEU  32          1HD2      LEU  32   3.614  -3.762 -13.024
  231   2HD2  LEU  32          2HD2      LEU  32   3.924  -2.052 -13.302
  232   3HD2  LEU  32          3HD2      LEU  32   4.830  -2.923 -12.041
  233    H    GLN  33           H        GLN  33   0.541  -6.182  -9.275
  234    HA   GLN  33           HA       GLN  33   0.636  -7.477  -7.537
  235   1HB   GLN  33          1HB       GLN  33   1.179  -8.935  -9.571
  236   2HB   GLN  33          2HB       GLN  33   2.852  -8.933  -9.022
  237   1HG   GLN  33          1HG       GLN  33   1.177  -9.560  -6.770
  238   2HG   GLN  33          2HG       GLN  33   0.564 -10.500  -8.121
  239   1HE2  GLN  33          1HE2      GLN  33   3.782  -9.605  -6.767
  240   2HE2  GLN  33          2HE2      GLN  33   4.480 -11.227  -6.969
  241    H    GLN  34           H        GLN  34   2.119  -5.075  -7.190
  242    HA   GLN  34           HA       GLN  34   3.899  -5.745  -5.018
  243   1HB   GLN  34          1HB       GLN  34   5.302  -6.289  -7.123
  244   2HB   GLN  34          2HB       GLN  34   5.165  -4.571  -7.510
  245   1HG   GLN  34          1HG       GLN  34   7.340  -5.487  -6.487
  246   2HG   GLN  34          2HG       GLN  34   6.715  -3.921  -6.025
  247   1HE2  GLN  34          1HE2      GLN  34   6.461  -7.412  -4.828
  248   2HE2  GLN  34          2HE2      GLN  34   6.755  -6.882  -3.167
  249    H    CYS  35           H        CYS  35   5.094  -3.687  -4.376
  250    HA   CYS  35           HA       CYS  35   3.236  -1.383  -4.563
  251   1HB   CYS  35          1HB       CYS  35   5.407  -2.075  -2.581
  252   2HB   CYS  35          2HB       CYS  35   4.479  -0.571  -2.546
  253    H    HIS  36           H        HIS  36   3.962   0.605  -4.947
  254    HA   HIS  36           HA       HIS  36   6.809   0.950  -5.774
  255   1HB   HIS  36          1HB       HIS  36   6.229   2.088  -7.852
  256   2HB   HIS  36          2HB       HIS  36   5.602   0.448  -7.853
  257    HD1  HIS  36           1HD      HIS  36   4.303   4.093  -7.348
  258    HD2  HIS  36           2HD      HIS  36   2.912   0.156  -8.217
  259    HE1  HIS  36           1HE      HIS  36   1.809   4.265  -7.926
  260    HE2  HIS  36           2HE      HIS  36   1.025   1.809  -8.424
  261    HA   PRO  37           HA       PRO  37   6.356   4.822  -3.646
  262   1HB   PRO  37          1HB       PRO  37   8.054   6.170  -5.713
  263   2HB   PRO  37          2HB       PRO  37   8.323   6.044  -3.951
  264   1HG   PRO  37          1HG       PRO  37   9.761   4.594  -5.810
  265   2HG   PRO  37          2HG       PRO  37   9.381   3.987  -4.177
  266   1HD   PRO  37          1HD       PRO  37   8.080   3.265  -6.785
  267   2HD   PRO  37          2HD       PRO  37   8.409   2.263  -5.360
  268    H    PHE  38           H        PHE  38   5.520   7.212  -4.015
  269    HA   PHE  38           HA       PHE  38   4.762   7.954  -6.644
  270   1HB   PHE  38          1HB       PHE  38   2.421   7.959  -6.546
  271   2HB   PHE  38          2HB       PHE  38   2.889   6.326  -6.165
  272    HD1  PHE  38           1HD      PHE  38   2.823   5.580  -3.670
  273    HD2  PHE  38           2HD      PHE  38   0.961   9.186  -5.145
  274    HE1  PHE  38           1HE      PHE  38   1.234   5.600  -1.734
  275    HE2  PHE  38           2HE      PHE  38  -0.555   9.192  -3.206
  276    HZ   PHE  38           HZ       PHE  38  -0.435   7.376  -1.504
  277    H    VAL  39           H        VAL  39   3.554  10.104  -6.498
  278    HA   VAL  39           HA       VAL  39   4.699  11.699  -4.289
  279    HB   VAL  39           HB       VAL  39   3.477  12.421  -7.004
  280   1HG1  VAL  39          1HG1      VAL  39   2.909  14.181  -5.443
  281   2HG1  VAL  39          2HG1      VAL  39   4.552  14.195  -4.787
  282   3HG1  VAL  39          3HG1      VAL  39   4.245  14.755  -6.448
  283   1HG2  VAL  39          1HG2      VAL  39   5.767  13.230  -7.514
  284   2HG2  VAL  39          2HG2      VAL  39   6.331  12.647  -5.934
  285   3HG2  VAL  39          3HG2      VAL  39   5.771  11.498  -7.168
  286    H    TYR  40           H        TYR  40   3.371  11.913  -2.565
  287    HA   TYR  40           HA       TYR  40   0.425  11.975  -2.942
  288   1HB   TYR  40          1HB       TYR  40   0.989  10.124  -1.584
  289   2HB   TYR  40          2HB       TYR  40   2.281  10.953  -0.787
  290    HD1  TYR  40           1HD      TYR  40   1.983  11.482   1.389
  291    HD2  TYR  40           2HD      TYR  40  -1.460  11.418  -1.209
  292    HE1  TYR  40           1HE      TYR  40   0.547  12.050   3.306
  293    HE2  TYR  40           2HE      TYR  40  -2.886  12.095   0.698
  294    HH   TYR  40           HH       TYR  40  -2.769  13.012   2.887
  295    H    GLY  41           H        GLY  41  -0.602  13.707  -1.589
  296   1HA   GLY  41          1HA       GLY  41   1.038  16.138  -1.736
  297   2HA   GLY  41          2HA       GLY  41  -0.702  16.035  -1.677
  298    H    GLY  42           H        GLY  42   0.370  14.047   0.776
  299   1HA   GLY  42          1HA       GLY  42   0.753  14.215   3.002
  300   2HA   GLY  42          2HA       GLY  42   1.118  15.935   2.848
  301    H    CYS  43           H        CYS  43  -1.514  16.452   1.589
  302    HA   CYS  43           HA       CYS  43  -3.336  16.351   3.897
  303   1HB   CYS  43          1HB       CYS  43  -4.484  18.140   2.890
  304   2HB   CYS  43          2HB       CYS  43  -2.780  18.505   2.797
  305    H    GLU  44           H        GLU  44  -5.763  16.319   2.623
  306    HA   GLU  44           HA       GLU  44  -6.650  13.834   2.614
  307   1HB   GLU  44          1HB       GLU  44  -7.582  15.787   0.505
  308   2HB   GLU  44          2HB       GLU  44  -8.456  14.414   1.174
  309   1HG   GLU  44          1HG       GLU  44  -9.358  16.136   2.371
  310   2HG   GLU  44          2HG       GLU  44  -8.135  15.568   3.488
  311    H    GLY  45           H        GLY  45  -6.625  11.928   1.414
  312   1HA   GLY  45          1HA       GLY  45  -6.206  11.668  -1.355
  313   2HA   GLY  45          2HA       GLY  45  -4.706  11.303  -0.491
  314    H    ASN  46           H        ASN  46  -5.324   8.997  -1.385
  315    HA   ASN  46           HA       ASN  46  -7.624   7.815   0.047
  316   1HB   ASN  46          1HB       ASN  46  -5.820   6.299  -1.841
  317   2HB   ASN  46          2HB       ASN  46  -7.411   5.878  -1.295
  318   1HD2  ASN  46          1HD2      ASN  46  -7.170   5.674  -4.001
  319   2HD2  ASN  46          2HD2      ASN  46  -8.019   7.044  -4.684
  320    H    GLY  47           H        GLY  47  -7.171   5.450   0.603
  321   1HA   GLY  47          1HA       GLY  47  -5.456   5.565   2.987
  322   2HA   GLY  47          2HA       GLY  47  -6.615   4.292   2.589
  323    H    ASN  48           H        ASN  48  -4.984   4.416  -0.205
  324    HA   ASN  48           HA       ASN  48  -3.117   2.246   0.500
  325   1HB   ASN  48          1HB       ASN  48  -4.566   2.285  -1.572
  326   2HB   ASN  48          2HB       ASN  48  -3.650   3.582  -2.202
  327   1HD2  ASN  48          1HD2      ASN  48  -3.734   1.281  -3.636
  328   2HD2  ASN  48          2HD2      ASN  48  -2.308   0.289  -3.555
  329    H    ASN  49           H        ASN  49  -2.021   3.710   2.022
  330    HA   ASN  49           HA       ASN  49  -0.023   5.508   0.717
  331   1HB   ASN  49          1HB       ASN  49  -2.148   6.651   1.593
  332   2HB   ASN  49          2HB       ASN  49  -1.699   6.120   3.199
  333   1HD2  ASN  49          1HD2      ASN  49  -1.576   8.636   1.053
  334   2HD2  ASN  49          2HD2      ASN  49  -0.314   9.589   1.772
  335    H    PHE  50           H        PHE  50   1.809   4.410   1.201
  336    HA   PHE  50           HA       PHE  50   2.263   3.408   3.966
  337   1HB   PHE  50          1HB       PHE  50   3.115   2.304   1.267
  338   2HB   PHE  50          2HB       PHE  50   3.735   1.677   2.713
  339    HD1  PHE  50           1HD      PHE  50   0.952   1.550   0.408
  340    HD2  PHE  50           2HD      PHE  50   1.936   0.946   4.568
  341    HE1  PHE  50           1HE      PHE  50  -1.170   0.316   0.745
  342    HE2  PHE  50           2HE      PHE  50  -0.219  -0.204   4.903
  343    HZ   PHE  50           HZ       PHE  50  -1.788  -0.519   2.989
  344    H    HIS  51           H        HIS  51   4.474   3.476   4.694
  345    HA   HIS  51           HA       HIS  51   5.692   6.060   3.781
  346   1HB   HIS  51          1HB       HIS  51   5.962   4.389   6.318
  347   2HB   HIS  51          2HB       HIS  51   6.986   5.758   5.943
  348    HD1  HIS  51           1HD      HIS  51   5.919   8.203   6.261
  349    HD2  HIS  51           2HD      HIS  51   3.258   4.943   6.751
  350    HE1  HIS  51           1HE      HIS  51   3.749   9.165   7.248
  351    HE2  HIS  51           2HE      HIS  51   2.117   7.165   7.508
  352    H    SER  52           H        SER  52   6.052   2.761   3.237
  353    HA   SER  52           HA       SER  52   8.721   2.977   2.139
  354   1HB   SER  52          1HB       SER  52   9.404   0.976   3.687
  355   2HB   SER  52          2HB       SER  52   9.540   2.595   4.296
  356    HG   SER  52           HG       SER  52   8.453   1.108   5.807
  357    H    ARG  53           H        ARG  53   9.309   0.722   1.263
  358    HA   ARG  53           HA       ARG  53   6.973  -0.431   0.123
  359   1HB   ARG  53          1HB       ARG  53   9.329  -0.454  -0.799
  360   2HB   ARG  53          2HB       ARG  53   9.611  -1.879   0.248
  361   1HG   ARG  53          1HG       ARG  53   7.676  -3.055  -0.679
  362   2HG   ARG  53          2HG       ARG  53   7.081  -1.595  -1.467
  363   1HD   ARG  53          1HD       ARG  53   8.005  -2.363  -3.222
  364   2HD   ARG  53          2HD       ARG  53   9.347  -1.503  -2.556
  365    HE   ARG  53           HE       ARG  53   9.266  -4.131  -1.414
  366   1HH1  ARG  53          2HH2      ARG  53   9.726  -3.149  -4.747
  367   2HH1  ARG  53          1HH2      ARG  53  10.048  -4.767  -5.301
  368   1HH2  ARG  53          2HH1      ARG  53   9.306  -6.093  -2.080
  369   2HH2  ARG  53          1HH1      ARG  53   9.816  -6.590  -3.641
  370    H    GLU  54           H        GLU  54   9.148  -1.203   2.796
  371    HA   GLU  54           HA       GLU  54   8.419  -3.607   3.831
  372   1HB   GLU  54          1HB       GLU  54  10.138  -2.390   4.755
  373   2HB   GLU  54          2HB       GLU  54   9.309  -0.903   4.801
  374   1HG   GLU  54          1HG       GLU  54   8.357  -2.996   6.742
  375   2HG   GLU  54          2HG       GLU  54   9.985  -2.345   6.987
  376    H    SER  55           H        SER  55   6.978  -0.675   5.103
  377    HA   SER  55           HA       SER  55   4.815  -1.903   6.276
  378   1HB   SER  55          1HB       SER  55   3.607   0.363   6.138
  379   2HB   SER  55          2HB       SER  55   5.174   0.308   6.936
  380    HG   SER  55           HG       SER  55   6.141   1.232   5.190
  381    H    CYS  56           H        CYS  56   4.991  -1.150   2.902
  382    HA   CYS  56           HA       CYS  56   2.157  -1.513   2.355
  383   1HB   CYS  56          1HB       CYS  56   4.003  -0.108   1.145
  384   2HB   CYS  56          2HB       CYS  56   4.569  -1.600   0.469
  385    H    GLU  57           H        GLU  57   5.095  -3.422   1.878
  386    HA   GLU  57           HA       GLU  57   3.701  -5.749   0.799
  387   1HB   GLU  57          1HB       GLU  57   6.526  -5.330   1.863
  388   2HB   GLU  57          2HB       GLU  57   5.909  -6.929   1.405
  389   1HG   GLU  57          1HG       GLU  57   5.328  -6.082  -0.853
  390   2HG   GLU  57          2HG       GLU  57   5.988  -4.507  -0.442
  391    H    ASP  58           H        ASP  58   4.558  -4.593   4.104
  392    HA   ASP  58           HA       ASP  58   3.682  -7.022   5.387
  393   1HB   ASP  58          1HB       ASP  58   5.083  -5.440   6.595
  394   2HB   ASP  58          2HB       ASP  58   3.870  -4.164   6.411
  395    H    ALA  59           H        ALA  59   1.971  -3.974   4.288
  396    HA   ALA  59           HA       ALA  59  -0.521  -4.756   5.442
  397   1HB   ALA  59          1HB       ALA  59  -0.077  -2.480   4.724
  398   2HB   ALA  59          2HB       ALA  59   0.032  -2.988   3.023
  399   3HB   ALA  59          3HB       ALA  59  -1.509  -3.125   3.892
  400    H    CYS  60           H        CYS  60   0.617  -5.069   2.015
  401    HA   CYS  60           HA       CYS  60  -1.235  -7.376   1.714
  402   1HB   CYS  60          1HB       CYS  60  -0.976  -4.978  -0.061
  403   2HB   CYS  60          2HB       CYS  60  -1.470  -6.545  -0.693
  404    HA   PRO  61           HA       PRO  61   2.813  -8.812   0.236
  405   1HB   PRO  61          1HB       PRO  61   2.728 -11.320   1.319
  406   2HB   PRO  61          2HB       PRO  61   3.119  -9.881   2.301
  407   1HG   PRO  61          1HG       PRO  61   0.441 -11.279   2.034
  408   2HG   PRO  61          2HG       PRO  61   1.287 -10.775   3.534
  409   1HD   PRO  61          1HD       PRO  61  -0.668  -9.282   2.318
  410   2HD   PRO  61          2HD       PRO  61   0.669  -8.520   3.222
  411    H    VAL  62           H        VAL  62   2.951 -11.298  -0.810
  412    HA   VAL  62           HA       VAL  62   0.782 -11.401  -2.849
  413    HB   VAL  62           HB       VAL  62   3.346 -13.031  -2.826
  414   1HG1  VAL  62          1HG1      VAL  62   1.508 -12.115  -5.074
  415   2HG1  VAL  62          2HG1      VAL  62   3.072 -12.913  -5.323
  416   3HG1  VAL  62          3HG1      VAL  62   1.788 -13.786  -4.528
  417   1HG2  VAL  62          1HG2      VAL  62   4.141 -10.697  -2.688
  418   2HG2  VAL  62          2HG2      VAL  62   4.394 -11.308  -4.316
  419   3HG2  VAL  62          3HG2      VAL  62   3.027 -10.222  -3.989
  420    H    VAL  63           H        VAL  63   0.425 -13.971  -3.391
  421    HA   VAL  63           HA       VAL  63  -1.133 -14.892  -1.292
  422    HB   VAL  63           HB       VAL  63   0.040 -16.916  -3.143
  423   1HG1  VAL  63          1HG1      VAL  63  -1.551 -17.686  -1.468
  424   2HG1  VAL  63          2HG1      VAL  63  -2.764 -16.524  -2.057
  425   3HG1  VAL  63          3HG1      VAL  63  -2.230 -17.862  -3.090
  426   1HG2  VAL  63          1HG2      VAL  63  -1.709 -16.321  -4.875
  427   2HG2  VAL  63          2HG2      VAL  63  -2.054 -14.840  -3.965
  428   3HG2  VAL  63          3HG2      VAL  63  -0.462 -15.088  -4.723
  429    H    ASP  64           H        ASP  64  -0.810 -16.074   0.390
  430    HA   ASP  64           HA       ASP  64   1.810 -15.997   1.504
  431   1HB   ASP  64          1HB       ASP  64  -0.165 -15.734   2.946
  432   2HB   ASP  64          2HB       ASP  64  -0.563 -17.453   2.715
  433    H    HIS  65           H        HIS  65   3.178 -17.586   2.267
  434    HA   HIS  65           HA       HIS  65   2.894 -20.289   1.377
  435   1HB   HIS  65          1HB       HIS  65   5.174 -18.328   0.917
  436   2HB   HIS  65          2HB       HIS  65   5.430 -20.047   0.986
  437    HD1  HIS  65           1HD      HIS  65   2.970 -17.694  -1.062
  438    HD2  HIS  65           2HD      HIS  65   5.197 -21.306  -1.329
  439    HE1  HIS  65           1HE      HIS  65   2.648 -18.556  -3.395
  440    HE2  HIS  65           2HE      HIS  65   3.984 -20.761  -3.594
  441    H    HIS  66           H        HIS  66   3.383 -18.040   3.912
  442    HA   HIS  66           HA       HIS  66   3.254 -19.606   5.965
  443   1HB   HIS  66          1HB       HIS  66   5.553 -19.743   7.018
  444   2HB   HIS  66          2HB       HIS  66   5.173 -20.901   5.771
  445    HD1  HIS  66           1HD      HIS  66   6.805 -17.403   5.710
  446    HD2  HIS  66           2HD      HIS  66   7.181 -21.314   4.198
  447    HE1  HIS  66           1HE      HIS  66   8.991 -17.424   4.254
  448    HE2  HIS  66           2HE      HIS  66   9.196 -19.843   3.352
  449    H    HIS  67           H        HIS  67   2.036 -17.518   6.163
  450    HA   HIS  67           HA       HIS  67   3.722 -15.424   7.481
  451   1HB   HIS  67          1HB       HIS  67   2.208 -13.750   6.850
  452   2HB   HIS  67          2HB       HIS  67   2.542 -14.691   5.428
  453    HD1  HIS  67           1HD      HIS  67  -0.018 -12.853   5.373
  454    HD2  HIS  67           2HD      HIS  67   0.008 -16.895   6.741
  455    HE1  HIS  67           1HE      HIS  67  -2.306 -13.747   5.005
  456    HE2  HIS  67           2HE      HIS  67  -2.345 -16.191   5.871
  457    H    HIS  68           H        HIS  68   2.509 -14.078   9.128
  458    HA   HIS  68           HA       HIS  68   0.484 -15.494  10.705
  459   1HB   HIS  68          1HB       HIS  68   1.688 -15.280  12.819
  460   2HB   HIS  68          2HB       HIS  68   2.485 -16.386  11.721
  461    HD1  HIS  68           1HD      HIS  68   2.871 -12.696  12.800
  462    HD2  HIS  68           2HD      HIS  68   5.089 -16.072  11.583
  463    HE1  HIS  68           1HE      HIS  68   5.395 -12.062  13.065
  464    HE2  HIS  68           2HE      HIS  68   6.721 -14.136  12.301
  465    H    HIS  69           H        HIS  69  -0.058 -13.452   9.085
  466    HA   HIS  69           HA       HIS  69  -0.798 -11.169  10.569
  467   1HB   HIS  69          1HB       HIS  69   1.683 -10.698  10.305
  468   2HB   HIS  69          2HB       HIS  69   1.534 -10.968   8.573
  469    HD1  HIS  69           1HD      HIS  69   0.994  -8.218  11.196
  470    HD2  HIS  69           2HD      HIS  69   0.824  -8.965   7.035
  471    HE1  HIS  69           1HE      HIS  69   0.932  -5.969   9.973
  472    HE2  HIS  69           2HE      HIS  69   0.870  -6.471   7.555
  473    H    HIS  70           H        HIS  70  -1.169  -9.537   8.263
  474    HA   HIS  70           HA       HIS  70  -3.274 -10.802   6.773
  475   1HB   HIS  70          1HB       HIS  70  -3.008  -8.314   7.211
  476   2HB   HIS  70          2HB       HIS  70  -1.576  -8.324   6.176
  477    HD1  HIS  70           1HD      HIS  70  -2.902 -10.061   3.793
  478    HD2  HIS  70           2HD      HIS  70  -4.248  -6.518   5.657
  479    HE1  HIS  70           1HE      HIS  70  -4.248  -8.670   2.000
  480    HE2  HIS  70           2HE      HIS  70  -5.052  -6.522   3.251
  Start of MODEL   19
    1   1H    GLU   1          1H        GLU   1  -2.954  -7.231   3.452
    2   2H    GLU   1          2H        GLU   1  -4.046  -8.098   4.368
    3   3H    GLU   1          H         GLU   1  -4.568  -6.959   3.301
    4    HA   GLU   1           HA       GLU   1  -4.029  -8.194   1.472
    5   1HB   GLU   1          1HB       GLU   1  -1.882  -8.878   2.311
    6   2HB   GLU   1          2HB       GLU   1  -2.568 -10.036   3.420
    7   1HG   GLU   1          1HG       GLU   1  -3.145 -10.281   0.441
    8   2HG   GLU   1          2HG       GLU   1  -1.548 -10.721   1.035
    9    H    ALA   2           H        ALA   2  -5.441  -9.929   0.660
   10    HA   ALA   2           HA       ALA   2  -7.018 -11.534   2.379
   11   1HB   ALA   2          1HB       ALA   2  -8.346  -9.185   0.913
   12   2HB   ALA   2          2HB       ALA   2  -9.215 -10.536   1.656
   13   3HB   ALA   2          3HB       ALA   2  -8.293  -9.415   2.676
   14    H    GLU   3           H        GLU   3  -8.751 -12.638   0.754
   15    HA   GLU   3           HA       GLU   3  -7.638 -12.697  -2.026
   16   1HB   GLU   3          1HB       GLU   3  -8.517 -14.984  -0.257
   17   2HB   GLU   3          2HB       GLU   3  -8.611 -15.098  -2.014
   18   1HG   GLU   3          1HG       GLU   3  -6.179 -14.701  -2.194
   19   2HG   GLU   3          2HG       GLU   3  -6.068 -14.623  -0.425
   20    H    ALA   4           H        ALA   4 -10.533 -13.856  -0.220
   21    HA   ALA   4           HA       ALA   4 -12.245 -12.477  -2.260
   22   1HB   ALA   4          1HB       ALA   4 -12.796 -15.136  -0.888
   23   2HB   ALA   4          2HB       ALA   4 -13.836 -14.313  -2.068
   24   3HB   ALA   4          3HB       ALA   4 -12.254 -14.937  -2.579
   25    H    GLU   5           H        GLU   5 -11.332 -12.613   0.948
   26    HA   GLU   5           HA       GLU   5 -13.704 -12.418   2.409
   27   1HB   GLU   5          1HB       GLU   5 -10.873 -11.406   2.913
   28   2HB   GLU   5          2HB       GLU   5 -12.143 -11.339   4.126
   29   1HG   GLU   5          1HG       GLU   5 -10.630 -13.288   4.402
   30   2HG   GLU   5          2HG       GLU   5 -12.330 -13.715   4.238
   31    H    PHE   6           H        PHE   6 -11.669  -9.698   1.103
   32    HA   PHE   6           HA       PHE   6 -13.947  -7.946   1.064
   33   1HB   PHE   6          1HB       PHE   6 -13.212  -7.981   3.528
   34   2HB   PHE   6          2HB       PHE   6 -11.672  -7.314   3.007
   35    HD1  PHE   6           1HD      PHE   6 -11.448  -4.936   2.898
   36    HD2  PHE   6           2HD      PHE   6 -15.382  -6.712   2.850
   37    HE1  PHE   6           1HE      PHE   6 -12.460  -2.689   2.987
   38    HE2  PHE   6           2HE      PHE   6 -16.398  -4.445   2.958
   39    HZ   PHE   6           HZ       PHE   6 -14.938  -2.428   3.024
   40    H    THR   7           H        THR   7 -13.122  -5.695   0.305
   41    HA   THR   7           HA       THR   7 -10.924  -6.090  -1.655
   42    HB   THR   7           HB       THR   7 -12.864  -3.772  -1.258
   43    HG1  THR   7           1HG      THR   7 -13.581  -5.881  -2.123
   44   1HG2  THR   7          1HG2      THR   7 -11.975  -3.005  -3.463
   45   2HG2  THR   7          2HG2      THR   7 -10.718  -2.999  -2.220
   46   3HG2  THR   7          3HG2      THR   7 -10.761  -4.305  -3.418
   47    H    ASP   8           H        ASP   8  -9.062  -6.036  -0.464
   48    HA   ASP   8           HA       ASP   8  -8.543  -4.397   1.805
   49   1HB   ASP   8          1HB       ASP   8  -7.211  -6.385   0.915
   50   2HB   ASP   8          2HB       ASP   8  -6.538  -5.302  -0.305
   51    H    ALA   9           H        ALA   9  -7.547  -2.311   1.906
   52    HA   ALA   9           HA       ALA   9  -8.323  -0.313  -0.041
   53   1HB   ALA   9          1HB       ALA   9  -6.118  -0.227   2.079
   54   2HB   ALA   9          2HB       ALA   9  -6.763   1.158   1.188
   55   3HB   ALA   9          3HB       ALA   9  -7.811   0.279   2.324
   56    H    CYS  10           H        CYS  10  -5.538  -2.469   0.308
   57    HA   CYS  10           HA       CYS  10  -3.699  -0.955  -1.228
   58   1HB   CYS  10          1HB       CYS  10  -2.294  -2.740  -0.879
   59   2HB   CYS  10          2HB       CYS  10  -3.425  -2.917   0.417
   60    H    VAL  11           H        VAL  11  -6.457  -2.836  -2.279
   61    HA   VAL  11           HA       VAL  11  -5.577  -3.237  -5.017
   62    HB   VAL  11           HB       VAL  11  -8.367  -3.231  -3.776
   63   1HG1  VAL  11          1HG1      VAL  11  -9.045  -4.653  -5.643
   64   2HG1  VAL  11          2HG1      VAL  11  -8.443  -3.113  -6.256
   65   3HG1  VAL  11          3HG1      VAL  11  -7.419  -4.564  -6.348
   66   1HG2  VAL  11          1HG2      VAL  11  -8.121  -5.716  -3.704
   67   2HG2  VAL  11          2HG2      VAL  11  -6.424  -5.552  -4.206
   68   3HG2  VAL  11          3HG2      VAL  11  -6.972  -4.917  -2.642
   69    H    LEU  12           H        LEU  12  -6.973  -0.611  -3.191
   70    HA   LEU  12           HA       LEU  12  -8.197   0.790  -5.388
   71   1HB   LEU  12          1HB       LEU  12  -9.415   1.059  -3.708
   72   2HB   LEU  12          2HB       LEU  12  -8.197   0.925  -2.451
   73    HG   LEU  12           HG       LEU  12  -7.701   3.406  -3.013
   74   1HD1  LEU  12          1HD1      LEU  12 -10.254   2.967  -4.623
   75   2HD1  LEU  12          2HD1      LEU  12 -10.026   4.488  -3.757
   76   3HD1  LEU  12          3HD1      LEU  12  -8.853   4.021  -4.966
   77   1HD2  LEU  12          1HD2      LEU  12  -9.630   4.031  -1.521
   78   2HD2  LEU  12          2HD2      LEU  12 -10.318   2.418  -1.799
   79   3HD2  LEU  12          3HD2      LEU  12  -8.754   2.586  -0.986
   80    HA   PRO  13           HA       PRO  13  -4.402   2.723  -6.414
   81   1HB   PRO  13          1HB       PRO  13  -5.369   4.771  -8.080
   82   2HB   PRO  13          2HB       PRO  13  -5.027   3.084  -8.543
   83   1HG   PRO  13          1HG       PRO  13  -7.654   4.390  -7.937
   84   2HG   PRO  13          2HG       PRO  13  -7.310   3.047  -9.067
   85   1HD   PRO  13          1HD       PRO  13  -8.436   2.796  -6.538
   86   2HD   PRO  13          2HD       PRO  13  -7.641   1.457  -7.318
   87    H    ALA  14           H        ALA  14  -3.368   4.905  -6.444
   88    HA   ALA  14           HA       ALA  14  -3.937   6.166  -3.833
   89   1HB   ALA  14          1HB       ALA  14  -1.634   6.863  -3.921
   90   2HB   ALA  14          2HB       ALA  14  -1.704   5.148  -4.316
   91   3HB   ALA  14          3HB       ALA  14  -1.467   6.351  -5.615
   92    H    VAL  15           H        VAL  15  -3.293   8.612  -3.732
   93    HA   VAL  15           HA       VAL  15  -4.211  10.171  -6.051
   94    HB   VAL  15           HB       VAL  15  -5.516  10.014  -3.314
   95   1HG1  VAL  15          1HG1      VAL  15  -5.451  12.355  -3.737
   96   2HG1  VAL  15          2HG1      VAL  15  -6.003  12.137  -5.431
   97   3HG1  VAL  15          3HG1      VAL  15  -7.082  11.814  -4.055
   98   1HG2  VAL  15          1HG2      VAL  15  -6.693   9.627  -6.095
   99   2HG2  VAL  15          2HG2      VAL  15  -6.429   8.364  -4.874
  100   3HG2  VAL  15          3HG2      VAL  15  -7.620   9.619  -4.576
  101    H    GLN  16           H        GLN  16  -3.555  12.368  -5.829
  102    HA   GLN  16           HA       GLN  16  -1.190  12.813  -4.091
  103   1HB   GLN  16          1HB       GLN  16  -2.270  14.133  -6.607
  104   2HB   GLN  16          2HB       GLN  16  -1.082  14.958  -5.594
  105   1HG   GLN  16          1HG       GLN  16   0.499  13.177  -5.817
  106   2HG   GLN  16          2HG       GLN  16  -0.639  12.176  -6.736
  107   1HE2  GLN  16          1HE2      GLN  16   1.685  14.870  -6.904
  108   2HE2  GLN  16          2HE2      GLN  16   1.590  14.974  -8.646
  109    H    GLY  17           H        GLY  17  -4.482  14.029  -4.544
  110   1HA   GLY  17          1HA       GLY  17  -5.733  15.355  -3.144
  111   2HA   GLY  17          2HA       GLY  17  -4.319  15.671  -2.133
  112    HA   PRO  18           HA       PRO  18  -5.322  19.261  -5.023
  113   1HB   PRO  18          1HB       PRO  18  -5.941  21.210  -3.182
  114   2HB   PRO  18          2HB       PRO  18  -7.122  20.020  -3.808
  115   1HG   PRO  18          1HG       PRO  18  -5.523  19.869  -1.230
  116   2HG   PRO  18          2HG       PRO  18  -7.284  19.646  -1.459
  117   1HD   PRO  18          1HD       PRO  18  -5.602  17.516  -1.341
  118   2HD   PRO  18          2HD       PRO  18  -6.957  17.504  -2.478
  119    H    CYS  19           H        CYS  19  -3.110  18.850  -2.328
  120    HA   CYS  19           HA       CYS  19  -1.783  21.355  -2.476
  121   1HB   CYS  19          1HB       CYS  19  -0.501  18.744  -1.632
  122   2HB   CYS  19          2HB       CYS  19  -0.073  20.339  -1.091
  123    H    ARG  20           H        ARG  20   0.454  21.602  -3.026
  124    HA   ARG  20           HA       ARG  20   1.372  20.152  -5.461
  125   1HB   ARG  20          1HB       ARG  20   1.415  23.122  -4.961
  126   2HB   ARG  20          2HB       ARG  20   2.626  22.355  -5.942
  127   1HG   ARG  20          1HG       ARG  20   1.032  23.295  -7.379
  128   2HG   ARG  20          2HG       ARG  20   0.924  21.559  -7.532
  129   1HD   ARG  20          1HD       ARG  20  -1.033  23.123  -5.816
  130   2HD   ARG  20          2HD       ARG  20  -1.221  23.051  -7.568
  131    HE   ARG  20           HE       ARG  20  -1.924  21.053  -5.672
  132   1HH1  ARG  20          2HH2      ARG  20  -1.141  21.427  -9.073
  133   2HH1  ARG  20          1HH2      ARG  20  -1.669  19.835  -9.511
  134   1HH2  ARG  20          2HH1      ARG  20  -2.261  18.906  -6.123
  135   2HH2  ARG  20          1HH1      ARG  20  -2.498  18.358  -7.736
  136    H    GLY  21           H        GLY  21   1.913  20.216  -2.403
  137   1HA   GLY  21          1HA       GLY  21   4.903  20.417  -2.433
  138   2HA   GLY  21          2HA       GLY  21   3.882  20.096  -0.990
  139    H    TRP  22           H        TRP  22   6.047  18.251  -2.072
  140    HA   TRP  22           HA       TRP  22   4.330  15.988  -2.916
  141   1HB   TRP  22          1HB       TRP  22   7.070  16.716  -3.941
  142   2HB   TRP  22          2HB       TRP  22   6.151  15.293  -4.374
  143    HD1  TRP  22           HD       TRP  22   7.184  18.070  -6.036
  144    HE1  TRP  22           1HE      TRP  22   5.556  19.186  -7.646
  145    HE3  TRP  22           3HE      TRP  22   2.768  16.028  -4.347
  146    HZ2  TRP  22           2HZ      TRP  22   2.716  19.202  -8.166
  147    HZ3  TRP  22           3HZ      TRP  22   0.637  16.681  -5.362
  148    HH2  TRP  22           HH       TRP  22   0.582  18.233  -7.298
  149    H    GLU  23           H        GLU  23   4.174  14.812  -1.314
  150    HA   GLU  23           HA       GLU  23   6.353  14.199   0.604
  151   1HB   GLU  23          1HB       GLU  23   4.236  15.062   1.491
  152   2HB   GLU  23          2HB       GLU  23   3.305  13.847   0.624
  153   1HG   GLU  23          1HG       GLU  23   3.379  13.219   2.881
  154   2HG   GLU  23          2HG       GLU  23   4.324  12.071   1.949
  155    HA   PRO  24           HA       PRO  24   6.425  10.347  -2.054
  156   1HB   PRO  24          1HB       PRO  24   8.655   9.202  -0.994
  157   2HB   PRO  24          2HB       PRO  24   8.725  10.561  -2.158
  158   1HG   PRO  24          1HG       PRO  24   8.944  10.685   0.865
  159   2HG   PRO  24          2HG       PRO  24   9.994  11.472  -0.355
  160   1HD   PRO  24          1HD       PRO  24   7.969  12.795   0.881
  161   2HD   PRO  24          2HD       PRO  24   8.361  13.113  -0.831
  162    H    ARG  25           H        ARG  25   5.103   8.768  -1.646
  163    HA   ARG  25           HA       ARG  25   5.220   7.351   0.958
  164   1HB   ARG  25          1HB       ARG  25   2.717   8.433  -0.409
  165   2HB   ARG  25          2HB       ARG  25   2.644   7.130   0.778
  166   1HG   ARG  25          1HG       ARG  25   3.804   9.893   1.329
  167   2HG   ARG  25          2HG       ARG  25   2.174   9.366   1.740
  168   1HD   ARG  25          1HD       ARG  25   3.059   7.571   3.153
  169   2HD   ARG  25          2HD       ARG  25   4.720   8.050   2.808
  170    HE   ARG  25           HE       ARG  25   2.783   9.382   4.536
  171   1HH1  ARG  25          2HH2      ARG  25   5.923   9.769   2.798
  172   2HH1  ARG  25          1HH2      ARG  25   6.317  11.203   3.627
  173   1HH2  ARG  25          2HH1      ARG  25   3.490  11.261   5.761
  174   2HH2  ARG  25          1HH1      ARG  25   4.902  12.085   5.228
  175    H    TRP  26           H        TRP  26   3.645   5.274   0.568
  176    HA   TRP  26           HA       TRP  26   4.571   4.037  -1.988
  177   1HB   TRP  26          1HB       TRP  26   4.765   3.083   0.885
  178   2HB   TRP  26          2HB       TRP  26   4.750   1.953  -0.464
  179    HD1  TRP  26           HD       TRP  26   6.865   4.883   0.912
  180    HE1  TRP  26           1HE      TRP  26   9.248   4.686   0.015
  181    HE3  TRP  26           3HE      TRP  26   6.235   0.788  -2.054
  182    HZ2  TRP  26           2HZ      TRP  26  10.699   2.967  -1.867
  183    HZ3  TRP  26           3HZ      TRP  26   8.018   0.131  -3.667
  184    HH2  TRP  26           HH       TRP  26  10.269   1.041  -3.433
  185    H    ALA  27           H        ALA  27   3.044   2.613  -2.976
  186    HA   ALA  27           HA       ALA  27   0.560   2.054  -1.504
  187   1HB   ALA  27          1HB       ALA  27  -0.059   4.105  -2.675
  188   2HB   ALA  27          2HB       ALA  27   0.593   3.464  -4.214
  189   3HB   ALA  27          3HB       ALA  27  -0.829   2.727  -3.462
  190    H    TYR  28           H        TYR  28  -0.413   0.183  -2.198
  191    HA   TYR  28           HA       TYR  28   1.225  -1.654  -3.794
  192   1HB   TYR  28          1HB       TYR  28  -0.078  -2.370  -1.752
  193   2HB   TYR  28          2HB       TYR  28  -1.535  -2.031  -2.666
  194    HD1  TYR  28           1HD      TYR  28  -2.350  -3.575  -4.392
  195    HD2  TYR  28           2HD      TYR  28   1.385  -4.330  -2.362
  196    HE1  TYR  28           1HE      TYR  28  -2.334  -5.891  -5.255
  197    HE2  TYR  28           2HE      TYR  28   1.416  -6.606  -3.257
  198    HH   TYR  28           HH       TYR  28   0.116  -8.235  -4.255
  199    H    SER  29           H        SER  29   0.768  -2.351  -5.838
  200    HA   SER  29           HA       SER  29  -1.606  -1.233  -7.203
  201   1HB   SER  29          1HB       SER  29   1.279  -1.288  -7.989
  202   2HB   SER  29          2HB       SER  29   0.083  -1.256  -9.253
  203    HG   SER  29           HG       SER  29  -0.470   0.348  -7.071
  204    HA   PRO  30           HA       PRO  30  -2.007  -5.734  -7.521
  205   1HB   PRO  30          1HB       PRO  30  -4.518  -5.786  -8.659
  206   2HB   PRO  30          2HB       PRO  30  -4.226  -5.622  -6.896
  207   1HG   PRO  30          1HG       PRO  30  -4.830  -3.462  -8.920
  208   2HG   PRO  30          2HG       PRO  30  -5.502  -3.655  -7.281
  209   1HD   PRO  30          1HD       PRO  30  -3.474  -1.929  -7.822
  210   2HD   PRO  30          2HD       PRO  30  -3.548  -2.810  -6.270
  211    H    LEU  31           H        LEU  31  -2.674  -3.279 -10.015
  212    HA   LEU  31           HA       LEU  31  -2.324  -4.886 -12.326
  213   1HB   LEU  31          1HB       LEU  31  -1.792  -1.917 -11.897
  214   2HB   LEU  31          2HB       LEU  31  -1.847  -2.747 -13.432
  215    HG   LEU  31           HG       LEU  31  -4.290  -3.500 -12.391
  216   1HD1  LEU  31          1HD1      LEU  31  -4.002  -1.934 -10.444
  217   2HD1  LEU  31          2HD1      LEU  31  -3.857  -0.584 -11.584
  218   3HD1  LEU  31          3HD1      LEU  31  -5.370  -1.504 -11.475
  219   1HD2  LEU  31          1HD2      LEU  31  -5.263  -1.852 -13.940
  220   2HD2  LEU  31          2HD2      LEU  31  -3.690  -1.028 -14.070
  221   3HD2  LEU  31          3HD2      LEU  31  -3.887  -2.690 -14.669
  222    H    LEU  32           H        LEU  32   0.006  -3.878  -9.967
  223    HA   LEU  32           HA       LEU  32   2.267  -4.602 -11.764
  224   1HB   LEU  32          1HB       LEU  32   1.944  -2.731  -9.432
  225   2HB   LEU  32          2HB       LEU  32   3.526  -3.319  -9.836
  226    HG   LEU  32           HG       LEU  32   1.782  -1.884 -11.882
  227   1HD1  LEU  32          1HD1      LEU  32   3.963  -0.747 -10.085
  228   2HD1  LEU  32          2HD1      LEU  32   3.238   0.093 -11.477
  229   3HD1  LEU  32          3HD1      LEU  32   2.228  -0.318 -10.091
  230   1HD2  LEU  32          1HD2      LEU  32   4.773  -2.520 -11.830
  231   2HD2  LEU  32          2HD2      LEU  32   3.561  -3.268 -12.886
  232   3HD2  LEU  32          3HD2      LEU  32   3.942  -1.561 -13.077
  233    H    GLN  33           H        GLN  33   0.222  -5.708  -9.422
  234    HA   GLN  33           HA       GLN  33   0.096  -7.176  -7.849
  235   1HB   GLN  33          1HB       GLN  33   0.870  -8.479  -9.910
  236   2HB   GLN  33          2HB       GLN  33   2.463  -8.549  -9.163
  237   1HG   GLN  33          1HG       GLN  33   0.498  -9.327  -7.203
  238   2HG   GLN  33          2HG       GLN  33   0.094 -10.161  -8.694
  239   1HE2  GLN  33          1HE2      GLN  33   3.070  -9.398  -6.795
  240   2HE2  GLN  33          2HE2      GLN  33   3.794 -11.001  -7.014
  241    H    GLN  34           H        GLN  34   1.820  -4.800  -7.250
  242    HA   GLN  34           HA       GLN  34   3.044  -5.734  -4.826
  243   1HB   GLN  34          1HB       GLN  34   4.712  -6.510  -6.713
  244   2HB   GLN  34          2HB       GLN  34   5.107  -4.797  -6.853
  245   1HG   GLN  34          1HG       GLN  34   5.921  -4.760  -4.541
  246   2HG   GLN  34          2HG       GLN  34   5.272  -6.381  -4.260
  247   1HE2  GLN  34          1HE2      GLN  34   7.058  -7.639  -4.003
  248   2HE2  GLN  34          2HE2      GLN  34   8.289  -7.910  -5.240
  249    H    CYS  35           H        CYS  35   4.402  -3.920  -3.820
  250    HA   CYS  35           HA       CYS  35   3.069  -1.349  -4.242
  251   1HB   CYS  35          1HB       CYS  35   5.133  -2.249  -2.215
  252   2HB   CYS  35          2HB       CYS  35   4.435  -0.639  -2.287
  253    H    HIS  36           H        HIS  36   3.920   0.509  -4.635
  254    HA   HIS  36           HA       HIS  36   6.772   0.741  -5.453
  255   1HB   HIS  36          1HB       HIS  36   6.219   1.930  -7.510
  256   2HB   HIS  36          2HB       HIS  36   5.519   0.323  -7.532
  257    HD1  HIS  36           1HD      HIS  36   4.400   4.006  -6.950
  258    HD2  HIS  36           2HD      HIS  36   2.833   0.163  -7.877
  259    HE1  HIS  36           1HE      HIS  36   1.895   4.305  -7.446
  260    HE2  HIS  36           2HE      HIS  36   1.008   1.912  -8.036
  261    HA   PRO  37           HA       PRO  37   6.294   4.602  -3.226
  262   1HB   PRO  37          1HB       PRO  37   8.100   6.212  -4.748
  263   2HB   PRO  37          2HB       PRO  37   8.439   5.328  -3.243
  264   1HG   PRO  37          1HG       PRO  37   9.428   4.719  -5.887
  265   2HG   PRO  37          2HG       PRO  37   9.671   3.785  -4.389
  266   1HD   PRO  37          1HD       PRO  37   7.810   3.277  -6.614
  267   2HD   PRO  37          2HD       PRO  37   8.412   2.164  -5.360
  268    H    PHE  38           H        PHE  38   5.470   6.976  -3.649
  269    HA   PHE  38           HA       PHE  38   4.765   7.597  -6.358
  270   1HB   PHE  38          1HB       PHE  38   2.435   7.529  -6.276
  271   2HB   PHE  38          2HB       PHE  38   2.920   5.961  -5.679
  272    HD1  PHE  38           1HD      PHE  38   0.897   8.847  -5.088
  273    HD2  PHE  38           2HD      PHE  38   2.914   5.628  -3.048
  274    HE1  PHE  38           1HE      PHE  38  -0.529   9.204  -3.128
  275    HE2  PHE  38           2HE      PHE  38   1.387   5.960  -1.098
  276    HZ   PHE  38           HZ       PHE  38  -0.308   7.739  -1.127
  277    H    VAL  39           H        VAL  39   3.591   9.738  -6.382
  278    HA   VAL  39           HA       VAL  39   4.726  11.495  -4.306
  279    HB   VAL  39           HB       VAL  39   3.373  12.057  -7.002
  280   1HG1  VAL  39          1HG1      VAL  39   4.581  13.912  -4.925
  281   2HG1  VAL  39          2HG1      VAL  39   4.201  14.400  -6.596
  282   3HG1  VAL  39          3HG1      VAL  39   2.912  13.887  -5.493
  283   1HG2  VAL  39          1HG2      VAL  39   5.647  11.098  -7.256
  284   2HG2  VAL  39          2HG2      VAL  39   5.647  12.814  -7.674
  285   3HG2  VAL  39          3HG2      VAL  39   6.288  12.288  -6.103
  286    H    TYR  40           H        TYR  40   3.458  12.130  -2.670
  287    HA   TYR  40           HA       TYR  40   0.518  12.185  -2.921
  288   1HB   TYR  40          1HB       TYR  40   1.056  10.293  -1.586
  289   2HB   TYR  40          2HB       TYR  40   2.350  11.100  -0.765
  290    HD1  TYR  40           1HD      TYR  40   2.042  11.825   1.365
  291    HD2  TYR  40           2HD      TYR  40  -1.389  11.477  -1.232
  292    HE1  TYR  40           1HE      TYR  40   0.588  12.423   3.238
  293    HE2  TYR  40           2HE      TYR  40  -2.867  12.096   0.656
  294    HH   TYR  40           HH       TYR  40  -2.807  13.129   2.852
  295    H    GLY  41           H        GLY  41  -0.217  13.886  -1.035
  296   1HA   GLY  41          1HA       GLY  41   1.694  16.193  -1.150
  297   2HA   GLY  41          2HA       GLY  41   0.008  16.316  -1.600
  298    H    GLY  42           H        GLY  42   0.224  14.272   1.140
  299   1HA   GLY  42          1HA       GLY  42   0.117  14.634   3.414
  300   2HA   GLY  42          2HA       GLY  42   0.396  16.368   3.192
  301    H    CYS  43           H        CYS  43  -1.753  16.832   1.344
  302    HA   CYS  43           HA       CYS  43  -4.120  16.833   3.031
  303   1HB   CYS  43          1HB       CYS  43  -5.105  17.803   0.838
  304   2HB   CYS  43          2HB       CYS  43  -3.920  18.725   1.722
  305    H    GLU  44           H        GLU  44  -6.182  16.266   1.428
  306    HA   GLU  44           HA       GLU  44  -6.968  13.793   1.827
  307   1HB   GLU  44          1HB       GLU  44  -7.521  15.252  -0.778
  308   2HB   GLU  44          2HB       GLU  44  -8.469  13.948  -0.087
  309   1HG   GLU  44          1HG       GLU  44  -9.708  15.710   0.634
  310   2HG   GLU  44          2HG       GLU  44  -8.648  15.540   2.027
  311    H    GLY  45           H        GLY  45  -6.702  11.709   1.179
  312   1HA   GLY  45          1HA       GLY  45  -5.973  10.928  -1.425
  313   2HA   GLY  45          2HA       GLY  45  -4.626  10.661  -0.294
  314    H    ASN  46           H        ASN  46  -5.564   8.322  -1.183
  315    HA   ASN  46           HA       ASN  46  -7.887   7.498   0.469
  316   1HB   ASN  46          1HB       ASN  46  -6.437   5.723  -1.501
  317   2HB   ASN  46          2HB       ASN  46  -8.017   5.501  -0.795
  318   1HD2  ASN  46          1HD2      ASN  46  -7.509   5.470  -3.713
  319   2HD2  ASN  46          2HD2      ASN  46  -8.474   6.825  -4.275
  320    H    GLY  47           H        GLY  47  -7.558   5.056   1.105
  321   1HA   GLY  47          1HA       GLY  47  -5.752   5.197   3.379
  322   2HA   GLY  47          2HA       GLY  47  -6.848   3.865   2.998
  323    H    ASN  48           H        ASN  48  -5.320   4.010   0.185
  324    HA   ASN  48           HA       ASN  48  -3.274   1.995   0.869
  325   1HB   ASN  48          1HB       ASN  48  -4.758   1.683  -1.043
  326   2HB   ASN  48          2HB       ASN  48  -4.210   3.150  -1.793
  327   1HD2  ASN  48          1HD2      ASN  48  -3.898   1.338  -3.453
  328   2HD2  ASN  48          2HD2      ASN  48  -2.396   0.452  -3.531
  329    H    ASN  49           H        ASN  49  -2.226   3.636   2.239
  330    HA   ASN  49           HA       ASN  49  -0.249   5.253   0.737
  331   1HB   ASN  49          1HB       ASN  49  -2.231   6.690   1.353
  332   2HB   ASN  49          2HB       ASN  49  -1.961   6.292   3.050
  333   1HD2  ASN  49          1HD2      ASN  49  -1.819   8.905   1.490
  334   2HD2  ASN  49          2HD2      ASN  49  -0.251   9.561   1.867
  335    H    PHE  50           H        PHE  50   1.547   4.276   1.400
  336    HA   PHE  50           HA       PHE  50   1.807   3.326   4.187
  337   1HB   PHE  50          1HB       PHE  50   2.904   2.193   1.600
  338   2HB   PHE  50          2HB       PHE  50   3.430   1.640   3.128
  339    HD1  PHE  50           1HD      PHE  50   0.623   1.587   0.743
  340    HD2  PHE  50           2HD      PHE  50   1.751   0.668   4.811
  341    HE1  PHE  50           1HE      PHE  50  -1.492   0.334   1.067
  342    HE2  PHE  50           2HE      PHE  50  -0.407  -0.480   5.138
  343    HZ   PHE  50           HZ       PHE  50  -2.041  -0.648   3.264
  344    H    HIS  51           H        HIS  51   3.987   3.192   4.939
  345    HA   HIS  51           HA       HIS  51   5.171   5.895   4.738
  346   1HB   HIS  51          1HB       HIS  51   6.105   3.578   6.498
  347   2HB   HIS  51          2HB       HIS  51   6.116   5.281   6.837
  348    HD1  HIS  51           1HD      HIS  51   4.182   2.160   7.311
  349    HD2  HIS  51           2HD      HIS  51   3.369   6.314   7.305
  350    HE1  HIS  51           1HE      HIS  51   1.836   2.452   8.371
  351    HE2  HIS  51           2HE      HIS  51   1.351   4.983   8.353
  352    H    SER  52           H        SER  52   5.789   2.649   3.646
  353    HA   SER  52           HA       SER  52   8.456   3.287   2.625
  354   1HB   SER  52          1HB       SER  52   9.339   1.278   4.115
  355   2HB   SER  52          2HB       SER  52   9.159   2.862   4.875
  356    HG   SER  52           HG       SER  52   8.121   0.960   6.057
  357    H    ARG  53           H        ARG  53   9.400   1.237   1.734
  358    HA   ARG  53           HA       ARG  53   7.563  -0.244   0.069
  359   1HB   ARG  53          1HB       ARG  53   9.890   0.130  -0.564
  360   2HB   ARG  53          2HB       ARG  53  10.447  -0.757   0.851
  361   1HG   ARG  53          1HG       ARG  53  10.563  -2.093  -1.145
  362   2HG   ARG  53          2HG       ARG  53   9.481  -2.820   0.031
  363   1HD   ARG  53          1HD       ARG  53   7.557  -1.849  -1.382
  364   2HD   ARG  53          2HD       ARG  53   8.752  -1.421  -2.577
  365    HE   ARG  53           HE       ARG  53   8.597  -4.189  -1.494
  366   1HH1  ARG  53          2HH2      ARG  53   7.854  -2.495  -4.553
  367   2HH1  ARG  53          1HH2      ARG  53   8.436  -3.848  -5.464
  368   1HH2  ARG  53          2HH1      ARG  53   9.043  -5.809  -2.667
  369   2HH2  ARG  53          1HH1      ARG  53   9.092  -5.793  -4.403
  370    H    GLU  54           H        GLU  54   9.377  -0.970   3.003
  371    HA   GLU  54           HA       GLU  54   8.681  -3.529   3.712
  372   1HB   GLU  54          1HB       GLU  54  10.384  -2.334   4.783
  373   2HB   GLU  54          2HB       GLU  54   9.458  -0.906   4.973
  374   1HG   GLU  54          1HG       GLU  54   8.278  -2.901   6.708
  375   2HG   GLU  54          2HG       GLU  54  10.035  -2.937   6.908
  376    H    SER  55           H        SER  55   7.179  -0.797   5.404
  377    HA   SER  55           HA       SER  55   5.040  -2.176   6.298
  378   1HB   SER  55          1HB       SER  55   3.758  -0.116   6.661
  379   2HB   SER  55          2HB       SER  55   5.420  -0.100   7.252
  380    HG   SER  55           HG       SER  55   6.020   1.154   5.513
  381    H    CYS  56           H        CYS  56   5.208  -0.999   3.036
  382    HA   CYS  56           HA       CYS  56   2.371  -1.404   2.494
  383   1HB   CYS  56          1HB       CYS  56   4.203   0.120   1.327
  384   2HB   CYS  56          2HB       CYS  56   4.702  -1.319   0.505
  385    H    GLU  57           H        GLU  57   5.350  -3.224   1.801
  386    HA   GLU  57           HA       GLU  57   3.812  -5.421   0.612
  387   1HB   GLU  57          1HB       GLU  57   6.714  -5.222   1.450
  388   2HB   GLU  57          2HB       GLU  57   5.961  -6.785   1.066
  389   1HG   GLU  57          1HG       GLU  57   5.105  -5.741  -1.106
  390   2HG   GLU  57          2HG       GLU  57   6.158  -4.370  -0.773
  391    H    ASP  58           H        ASP  58   4.819  -4.604   3.914
  392    HA   ASP  58           HA       ASP  58   3.971  -7.015   5.180
  393   1HB   ASP  58          1HB       ASP  58   5.244  -5.384   6.397
  394   2HB   ASP  58          2HB       ASP  58   4.080  -4.117   6.050
  395    H    ALA  59           H        ALA  59   2.098  -3.981   4.266
  396    HA   ALA  59           HA       ALA  59  -0.359  -5.100   5.235
  397   1HB   ALA  59          1HB       ALA  59  -1.409  -3.279   3.942
  398   2HB   ALA  59          2HB       ALA  59  -0.026  -2.715   4.908
  399   3HB   ALA  59          3HB       ALA  59   0.147  -2.938   3.148
  400    H    CYS  60           H        CYS  60   1.123  -5.055   1.943
  401    HA   CYS  60           HA       CYS  60  -0.653  -7.243   1.150
  402   1HB   CYS  60          1HB       CYS  60  -0.540  -4.600  -0.190
  403   2HB   CYS  60          2HB       CYS  60  -0.802  -6.082  -1.103
  404    HA   PRO  61           HA       PRO  61   3.455  -8.546  -0.435
  405   1HB   PRO  61          1HB       PRO  61   3.490 -10.975   0.706
  406   2HB   PRO  61          2HB       PRO  61   3.795  -9.531   1.707
  407   1HG   PRO  61          1HG       PRO  61   1.196 -11.061   1.393
  408   2HG   PRO  61          2HG       PRO  61   1.996 -10.525   2.907
  409   1HD   PRO  61          1HD       PRO  61   0.010  -9.141   1.621
  410   2HD   PRO  61          2HD       PRO  61   1.240  -8.335   2.633
  411    H    VAL  62           H        VAL  62   3.300 -11.167  -1.208
  412    HA   VAL  62           HA       VAL  62   1.070 -11.056  -3.250
  413    HB   VAL  62           HB       VAL  62   3.051 -13.297  -3.225
  414   1HG1  VAL  62          1HG1      VAL  62   1.246 -13.496  -4.769
  415   2HG1  VAL  62          2HG1      VAL  62   1.511 -11.856  -5.393
  416   3HG1  VAL  62          3HG1      VAL  62   2.693 -13.142  -5.708
  417   1HG2  VAL  62          1HG2      VAL  62   4.613 -11.392  -3.148
  418   2HG2  VAL  62          2HG2      VAL  62   4.583 -12.029  -4.791
  419   3HG2  VAL  62          3HG2      VAL  62   3.685 -10.541  -4.399
  420    H    VAL  63           H        VAL  63  -0.079 -13.102  -3.358
  421    HA   VAL  63           HA       VAL  63  -1.487 -13.493  -1.046
  422    HB   VAL  63           HB       VAL  63  -1.378 -15.760  -2.943
  423   1HG1  VAL  63          1HG1      VAL  63  -3.788 -15.920  -2.485
  424   2HG1  VAL  63          2HG1      VAL  63  -2.827 -16.006  -1.000
  425   3HG1  VAL  63          3HG1      VAL  63  -3.659 -14.501  -1.417
  426   1HG2  VAL  63          1HG2      VAL  63  -2.766 -13.093  -3.469
  427   2HG2  VAL  63          2HG2      VAL  63  -1.501 -13.842  -4.477
  428   3HG2  VAL  63          3HG2      VAL  63  -3.100 -14.583  -4.376
  429    H    ASP  64           H        ASP  64  -1.425 -14.494   0.570
  430    HA   ASP  64           HA       ASP  64   0.951 -15.603   1.743
  431   1HB   ASP  64          1HB       ASP  64  -0.554 -14.243   3.053
  432   2HB   ASP  64          2HB       ASP  64  -1.920 -15.287   2.662
  433    H    HIS  65           H        HIS  65   0.582 -17.627   3.245
  434    HA   HIS  65           HA       HIS  65   0.583 -20.034   1.772
  435   1HB   HIS  65          1HB       HIS  65  -0.183 -19.682   4.704
  436   2HB   HIS  65          2HB       HIS  65   0.552 -21.094   3.959
  437    HD1  HIS  65           1HD      HIS  65   1.441 -17.516   5.155
  438    HD2  HIS  65           2HD      HIS  65   3.274 -20.982   3.540
  439    HE1  HIS  65           1HE      HIS  65   3.933 -17.195   5.440
  440    HE2  HIS  65           2HE      HIS  65   5.083 -19.289   4.445
  441    H    HIS  66           H        HIS  66  -2.114 -18.228   3.386
  442    HA   HIS  66           HA       HIS  66  -4.071 -20.300   2.924
  443   1HB   HIS  66          1HB       HIS  66  -5.752 -18.646   3.380
  444   2HB   HIS  66          2HB       HIS  66  -4.454 -18.480   4.545
  445    HD1  HIS  66           1HD      HIS  66  -5.417 -16.667   1.175
  446    HD2  HIS  66           2HD      HIS  66  -3.764 -15.994   5.028
  447    HE1  HIS  66           1HE      HIS  66  -4.932 -14.149   1.390
  448    HE2  HIS  66           2HE      HIS  66  -4.010 -13.712   3.582
  449    H    HIS  67           H        HIS  67  -4.952 -20.936   0.948
  450    HA   HIS  67           HA       HIS  67  -5.081 -18.963  -1.253
  451   1HB   HIS  67          1HB       HIS  67  -3.696 -21.655  -1.406
  452   2HB   HIS  67          2HB       HIS  67  -4.601 -21.033  -2.779
  453    HD1  HIS  67           1HD      HIS  67  -2.373 -18.568  -0.698
  454    HD2  HIS  67           2HD      HIS  67  -2.525 -20.699  -4.376
  455    HE1  HIS  67           1HE      HIS  67  -0.458 -17.746  -2.061
  456    HE2  HIS  67           2HE      HIS  67  -0.543 -18.956  -4.343
  457    H    HIS  68           H        HIS  68  -7.140 -18.903  -1.855
  458    HA   HIS  68           HA       HIS  68  -9.112 -20.807  -0.843
  459   1HB   HIS  68          1HB       HIS  68  -9.239 -18.511  -2.847
  460   2HB   HIS  68          2HB       HIS  68 -10.625 -19.542  -2.505
  461    HD1  HIS  68           1HD      HIS  68  -8.117 -17.718  -0.089
  462    HD2  HIS  68           2HD      HIS  68 -12.255 -18.131  -0.965
  463    HE1  HIS  68           1HE      HIS  68  -9.410 -16.331   1.634
  464    HE2  HIS  68           2HE      HIS  68 -11.792 -16.533   1.177
  465    H    HIS  69           H        HIS  69 -10.471 -22.160  -2.261
  466    HA   HIS  69           HA       HIS  69  -9.742 -22.761  -4.940
  467   1HB   HIS  69          1HB       HIS  69  -9.162 -25.159  -4.516
  468   2HB   HIS  69          2HB       HIS  69  -7.932 -24.068  -3.909
  469    HD1  HIS  69           1HD      HIS  69 -10.733 -26.416  -2.622
  470    HD2  HIS  69           2HD      HIS  69  -7.464 -24.072  -1.251
  471    HE1  HIS  69           1HE      HIS  69 -10.372 -27.038  -0.175
  472    HE2  HIS  69           2HE      HIS  69  -8.370 -25.616   0.671
  473    H    HIS  70           H        HIS  70 -11.280 -24.721  -5.575
  474    HA   HIS  70           HA       HIS  70 -13.911 -24.213  -4.344
  475   1HB   HIS  70          1HB       HIS  70 -13.633 -24.629  -6.844
  476   2HB   HIS  70          2HB       HIS  70 -13.103 -26.271  -6.453
  477    HD1  HIS  70           1HD      HIS  70 -15.438 -26.556  -4.111
  478    HD2  HIS  70           2HD      HIS  70 -15.790 -25.568  -8.203
  479    HE1  HIS  70           1HE      HIS  70 -17.873 -27.163  -4.807
  480    HE2  HIS  70           2HE      HIS  70 -18.064 -26.552  -7.322
  Start of MODEL   20
    1   1H    GLU   1          1H        GLU   1 -13.525  -2.105  -5.283
    2   2H    GLU   1          2H        GLU   1 -14.891  -2.533  -4.449
    3   3H    GLU   1          H         GLU   1 -14.994  -1.452  -5.702
    4    HA   GLU   1           HA       GLU   1 -14.174  -4.250  -5.985
    5   1HB   GLU   1          1HB       GLU   1 -16.782  -2.828  -6.689
    6   2HB   GLU   1          2HB       GLU   1 -16.330  -4.418  -7.302
    7   1HG   GLU   1          1HG       GLU   1 -17.908  -4.475  -5.327
    8   2HG   GLU   1          2HG       GLU   1 -16.421  -5.406  -5.120
    9    H    ALA   2           H        ALA   2 -12.830  -4.433  -7.828
   10    HA   ALA   2           HA       ALA   2 -12.810  -2.328  -9.838
   11   1HB   ALA   2          1HB       ALA   2 -11.725  -1.169  -7.924
   12   2HB   ALA   2          2HB       ALA   2 -10.539  -2.485  -7.790
   13   3HB   ALA   2          3HB       ALA   2 -10.586  -1.459  -9.242
   14    H    GLU   3           H        GLU   3  -9.630  -3.394  -9.568
   15    HA   GLU   3           HA       GLU   3  -9.908  -5.331 -11.633
   16   1HB   GLU   3          1HB       GLU   3  -7.563  -5.048  -9.705
   17   2HB   GLU   3          2HB       GLU   3  -7.571  -5.810 -11.291
   18   1HG   GLU   3          1HG       GLU   3  -6.779  -3.868 -12.052
   19   2HG   GLU   3          2HG       GLU   3  -8.436  -3.308 -11.999
   20    H    ALA   4           H        ALA   4 -10.356  -5.649  -8.225
   21    HA   ALA   4           HA       ALA   4 -10.499  -8.604  -8.465
   22   1HB   ALA   4          1HB       ALA   4  -9.657  -7.019  -6.003
   23   2HB   ALA   4          2HB       ALA   4  -9.900  -8.779  -6.090
   24   3HB   ALA   4          3HB       ALA   4  -8.596  -8.023  -7.021
   25    H    GLU   5           H        GLU   5 -11.994  -9.526  -6.942
   26    HA   GLU   5           HA       GLU   5 -14.618  -8.650  -7.323
   27   1HB   GLU   5          1HB       GLU   5 -13.675 -10.602  -5.175
   28   2HB   GLU   5          2HB       GLU   5 -15.258 -10.503  -5.929
   29   1HG   GLU   5          1HG       GLU   5 -14.493 -12.238  -7.140
   30   2HG   GLU   5          2HG       GLU   5 -13.839 -10.973  -8.171
   31    H    PHE   6           H        PHE   6 -12.406  -7.748  -4.869
   32    HA   PHE   6           HA       PHE   6 -14.388  -6.092  -3.501
   33   1HB   PHE   6          1HB       PHE   6 -14.265  -7.987  -1.998
   34   2HB   PHE   6          2HB       PHE   6 -12.509  -8.045  -2.116
   35    HD1  PHE   6           1HD      PHE   6 -11.317  -7.217  -0.270
   36    HD2  PHE   6           2HD      PHE   6 -15.152  -5.470  -1.234
   37    HE1  PHE   6           1HE      PHE   6 -11.064  -5.609   1.600
   38    HE2  PHE   6           2HE      PHE   6 -14.873  -3.861   0.619
   39    HZ   PHE   6           HZ       PHE   6 -12.828  -3.922   2.042
   40    H    THR   7           H        THR   7 -12.921  -4.386  -2.132
   41    HA   THR   7           HA       THR   7 -10.249  -4.117  -3.356
   42    HB   THR   7           HB       THR   7 -12.339  -1.932  -3.535
   43    HG1  THR   7           1HG      THR   7 -11.521  -3.964  -5.173
   44   1HG2  THR   7          1HG2      THR   7  -9.986  -1.055  -3.268
   45   2HG2  THR   7          2HG2      THR   7  -9.538  -1.948  -4.734
   46   3HG2  THR   7          3HG2      THR   7 -10.738  -0.655  -4.819
   47    H    ASP   8           H        ASP   8  -9.204  -4.452  -1.468
   48    HA   ASP   8           HA       ASP   8  -9.825  -2.908   0.972
   49   1HB   ASP   8          1HB       ASP   8  -8.673  -5.045   1.264
   50   2HB   ASP   8          2HB       ASP   8  -7.424  -4.572   0.096
   51    H    ALA   9           H        ALA   9  -8.035  -1.343   1.709
   52    HA   ALA   9           HA       ALA   9  -7.733   0.839  -0.093
   53   1HB   ALA   9          1HB       ALA   9  -7.303   1.132   2.318
   54   2HB   ALA   9          2HB       ALA   9  -5.917   0.007   2.219
   55   3HB   ALA   9          3HB       ALA   9  -5.856   1.555   1.377
   56    H    CYS  10           H        CYS  10  -5.629  -2.006   0.529
   57    HA   CYS  10           HA       CYS  10  -3.435  -0.895  -1.001
   58   1HB   CYS  10          1HB       CYS  10  -2.303  -2.888  -0.619
   59   2HB   CYS  10          2HB       CYS  10  -3.313  -2.630   0.792
   60    H    VAL  11           H        VAL  11  -6.322  -2.616  -1.955
   61    HA   VAL  11           HA       VAL  11  -5.332  -3.318  -4.630
   62    HB   VAL  11           HB       VAL  11  -8.161  -3.237  -3.514
   63   1HG1  VAL  11          1HG1      VAL  11  -8.803  -4.718  -5.312
   64   2HG1  VAL  11          2HG1      VAL  11  -8.009  -3.320  -6.047
   65   3HG1  VAL  11          3HG1      VAL  11  -7.133  -4.854  -5.881
   66   1HG2  VAL  11          1HG2      VAL  11  -6.858  -4.816  -2.179
   67   2HG2  VAL  11          2HG2      VAL  11  -7.946  -5.702  -3.250
   68   3HG2  VAL  11          3HG2      VAL  11  -6.219  -5.574  -3.649
   69    H    LEU  12           H        LEU  12  -6.953  -0.612  -2.994
   70    HA   LEU  12           HA       LEU  12  -8.010   0.614  -5.316
   71   1HB   LEU  12          1HB       LEU  12  -9.166   1.247  -3.738
   72   2HB   LEU  12          2HB       LEU  12  -7.925   1.241  -2.461
   73    HG   LEU  12           HG       LEU  12  -7.269   3.542  -3.348
   74   1HD1  LEU  12          1HD1      LEU  12  -9.296   4.681  -4.601
   75   2HD1  LEU  12          2HD1      LEU  12  -8.160   3.755  -5.560
   76   3HD1  LEU  12          3HD1      LEU  12  -9.729   3.043  -5.107
   77   1HD2  LEU  12          1HD2      LEU  12 -10.124   3.093  -2.380
   78   2HD2  LEU  12          2HD2      LEU  12  -8.669   3.212  -1.374
   79   3HD2  LEU  12          3HD2      LEU  12  -9.240   4.626  -2.281
   80    HA   PRO  13           HA       PRO  13  -4.258   2.336  -7.003
   81   1HB   PRO  13          1HB       PRO  13  -6.243   4.283  -8.141
   82   2HB   PRO  13          2HB       PRO  13  -4.913   3.433  -8.974
   83   1HG   PRO  13          1HG       PRO  13  -7.502   2.574  -9.231
   84   2HG   PRO  13          2HG       PRO  13  -6.144   1.412  -9.110
   85   1HD   PRO  13          1HD       PRO  13  -8.139   2.162  -6.963
   86   2HD   PRO  13          2HD       PRO  13  -7.340   0.625  -7.278
   87    H    ALA  14           H        ALA  14  -3.078   4.298  -6.894
   88    HA   ALA  14           HA       ALA  14  -3.465   5.676  -4.330
   89   1HB   ALA  14          1HB       ALA  14  -1.247   6.637  -4.773
   90   2HB   ALA  14          2HB       ALA  14  -1.216   4.887  -5.047
   91   3HB   ALA  14          3HB       ALA  14  -1.273   6.006  -6.434
   92    H    VAL  15           H        VAL  15  -3.536   7.988  -4.108
   93    HA   VAL  15           HA       VAL  15  -4.144   9.619  -6.489
   94    HB   VAL  15           HB       VAL  15  -5.753   9.363  -3.950
   95   1HG1  VAL  15          1HG1      VAL  15  -7.143  11.278  -4.639
   96   2HG1  VAL  15          2HG1      VAL  15  -5.521  11.727  -4.151
   97   3HG1  VAL  15          3HG1      VAL  15  -5.943  11.679  -5.890
   98   1HG2  VAL  15          1HG2      VAL  15  -6.415   7.907  -5.898
   99   2HG2  VAL  15          2HG2      VAL  15  -7.676   9.078  -5.486
  100   3HG2  VAL  15          3HG2      VAL  15  -6.618   9.359  -6.887
  101    H    GLN  16           H        GLN  16  -3.421  11.672  -6.193
  102    HA   GLN  16           HA       GLN  16  -1.134  11.950  -4.347
  103   1HB   GLN  16          1HB       GLN  16  -2.210  13.991  -6.353
  104   2HB   GLN  16          2HB       GLN  16  -0.739  14.111  -5.391
  105   1HG   GLN  16          1HG       GLN  16  -0.031  11.890  -6.579
  106   2HG   GLN  16          2HG       GLN  16  -1.316  12.279  -7.732
  107   1HE2  GLN  16          1HE2      GLN  16   1.791  13.293  -6.389
  108   2HE2  GLN  16          2HE2      GLN  16   2.068  14.624  -7.525
  109    H    GLY  17           H        GLY  17  -4.128  13.819  -5.035
  110   1HA   GLY  17          1HA       GLY  17  -5.545  14.434  -3.081
  111   2HA   GLY  17          2HA       GLY  17  -4.049  14.990  -2.305
  112    HA   PRO  18           HA       PRO  18  -5.801  18.357  -5.062
  113   1HB   PRO  18          1HB       PRO  18  -6.801  20.126  -3.220
  114   2HB   PRO  18          2HB       PRO  18  -7.727  18.741  -3.868
  115   1HG   PRO  18          1HG       PRO  18  -6.249  18.931  -1.239
  116   2HG   PRO  18          2HG       PRO  18  -7.877  18.268  -1.551
  117   1HD   PRO  18          1HD       PRO  18  -5.644  16.673  -1.344
  118   2HD   PRO  18          2HD       PRO  18  -7.013  16.259  -2.402
  119    H    CYS  19           H        CYS  19  -3.814  18.518  -2.082
  120    HA   CYS  19           HA       CYS  19  -2.823  21.140  -2.673
  121   1HB   CYS  19          1HB       CYS  19  -1.547  19.142  -0.807
  122   2HB   CYS  19          2HB       CYS  19  -1.428  20.870  -0.724
  123    H    ARG  20           H        ARG  20  -0.597  21.644  -2.779
  124    HA   ARG  20           HA       ARG  20   0.930  20.007  -4.779
  125   1HB   ARG  20          1HB       ARG  20   0.589  22.985  -4.511
  126   2HB   ARG  20          2HB       ARG  20   2.021  22.312  -5.233
  127   1HG   ARG  20          1HG       ARG  20   0.284  23.069  -6.849
  128   2HG   ARG  20          2HG       ARG  20   0.868  21.440  -7.095
  129   1HD   ARG  20          1HD       ARG  20  -1.800  22.040  -5.762
  130   2HD   ARG  20          2HD       ARG  20  -1.584  21.841  -7.508
  131    HE   ARG  20           HE       ARG  20  -0.613  19.708  -5.722
  132   1HH1  ARG  20          2HH2      ARG  20  -3.239  20.615  -7.924
  133   2HH1  ARG  20          1HH2      ARG  20  -3.949  19.036  -7.884
  134   1HH2  ARG  20          2HH1      ARG  20  -1.633  17.865  -5.481
  135   2HH2  ARG  20          1HH1      ARG  20  -3.031  17.390  -6.337
  136    H    GLY  21           H        GLY  21   0.953  20.287  -1.716
  137   1HA   GLY  21          1HA       GLY  21   3.852  20.795  -1.212
  138   2HA   GLY  21          2HA       GLY  21   2.646  20.201  -0.012
  139    H    TRP  22           H        TRP  22   5.188  18.536  -0.643
  140    HA   TRP  22           HA       TRP  22   3.899  16.307  -2.001
  141   1HB   TRP  22          1HB       TRP  22   6.571  17.559  -2.718
  142   2HB   TRP  22          2HB       TRP  22   6.034  16.011  -3.288
  143    HD1  TRP  22           HD       TRP  22   6.762  18.854  -4.814
  144    HE1  TRP  22           1HE      TRP  22   5.234  19.671  -6.686
  145    HE3  TRP  22           3HE      TRP  22   2.572  16.091  -3.742
  146    HZ2  TRP  22           2HZ      TRP  22   2.596  19.099  -7.693
  147    HZ3  TRP  22           3HZ      TRP  22   0.598  16.203  -5.208
  148    HH2  TRP  22           HH       TRP  22   0.596  17.681  -7.214
  149    H    GLU  23           H        GLU  23   4.278  14.647  -0.992
  150    HA   GLU  23           HA       GLU  23   6.466  14.181   0.987
  151   1HB   GLU  23          1HB       GLU  23   4.566  14.780   2.263
  152   2HB   GLU  23          2HB       GLU  23   3.451  13.969   1.175
  153   1HG   GLU  23          1HG       GLU  23   3.394  12.737   3.087
  154   2HG   GLU  23          2HG       GLU  23   4.290  11.772   1.934
  155    HA   PRO  24           HA       PRO  24   6.581  10.469  -1.873
  156   1HB   PRO  24          1HB       PRO  24   8.748   9.247  -0.790
  157   2HB   PRO  24          2HB       PRO  24   8.891  10.681  -1.852
  158   1HG   PRO  24          1HG       PRO  24   8.972  10.592   1.178
  159   2HG   PRO  24          2HG       PRO  24  10.077  11.455   0.065
  160   1HD   PRO  24          1HD       PRO  24   7.993  12.688   1.314
  161   2HD   PRO  24          2HD       PRO  24   8.490  13.151  -0.337
  162    H    ARG  25           H        ARG  25   5.224   8.918  -1.619
  163    HA   ARG  25           HA       ARG  25   5.133   7.390   0.918
  164   1HB   ARG  25          1HB       ARG  25   2.732   8.397  -0.672
  165   2HB   ARG  25          2HB       ARG  25   2.620   7.164   0.582
  166   1HG   ARG  25          1HG       ARG  25   3.590  10.006   1.017
  167   2HG   ARG  25          2HG       ARG  25   1.987   9.407   1.376
  168   1HD   ARG  25          1HD       ARG  25   2.923   7.811   3.030
  169   2HD   ARG  25          2HD       ARG  25   4.545   8.385   2.671
  170    HE   ARG  25           HE       ARG  25   4.241  10.328   3.818
  171   1HH1  ARG  25          2HH2      ARG  25   1.068   8.765   3.697
  172   2HH1  ARG  25          1HH2      ARG  25   0.323   9.854   4.813
  173   1HH2  ARG  25          2HH1      ARG  25   3.390  11.702   5.181
  174   2HH2  ARG  25          1HH1      ARG  25   1.721  11.667   5.722
  175    H    TRP  26           H        TRP  26   3.685   5.380   0.350
  176    HA   TRP  26           HA       TRP  26   4.598   4.164  -2.191
  177   1HB   TRP  26          1HB       TRP  26   4.912   3.240   0.689
  178   2HB   TRP  26          2HB       TRP  26   4.855   2.087  -0.637
  179    HD1  TRP  26           HD       TRP  26   7.025   5.006   0.679
  180    HE1  TRP  26           1HE      TRP  26   9.375   4.791  -0.267
  181    HE3  TRP  26           3HE      TRP  26   6.248   0.993  -2.335
  182    HZ2  TRP  26           2HZ      TRP  26  10.736   3.132  -2.286
  183    HZ3  TRP  26           3HZ      TRP  26   7.944   0.394  -4.070
  184    HH2  TRP  26           HH       TRP  26  10.213   1.267  -3.907
  185    H    ALA  27           H        ALA  27   3.057   2.686  -3.054
  186    HA   ALA  27           HA       ALA  27   0.626   2.143  -1.507
  187   1HB   ALA  27          1HB       ALA  27  -0.784   2.689  -3.533
  188   2HB   ALA  27          2HB       ALA  27  -0.114   4.106  -2.727
  189   3HB   ALA  27          3HB       ALA  27   0.618   3.499  -4.244
  190    H    TYR  28           H        TYR  28  -0.383   0.269  -2.204
  191    HA   TYR  28           HA       TYR  28   1.292  -1.583  -3.765
  192   1HB   TYR  28          1HB       TYR  28   0.166  -2.269  -1.627
  193   2HB   TYR  28          2HB       TYR  28  -1.375  -1.973  -2.374
  194    HD1  TYR  28           1HD      TYR  28  -2.182  -3.497  -4.275
  195    HD2  TYR  28           2HD      TYR  28   1.381  -4.338  -1.980
  196    HE1  TYR  28           1HE      TYR  28  -2.297  -5.847  -4.957
  197    HE2  TYR  28           2HE      TYR  28   1.329  -6.655  -2.762
  198    HH   TYR  28           HH       TYR  28  -0.221  -8.257  -3.543
  199    H    SER  29           H        SER  29   0.719  -2.408  -5.736
  200    HA   SER  29           HA       SER  29  -1.686  -1.364  -7.113
  201   1HB   SER  29          1HB       SER  29   1.194  -1.453  -7.968
  202   2HB   SER  29          2HB       SER  29  -0.049  -1.417  -9.187
  203    HG   SER  29           HG       SER  29  -0.624   0.201  -7.079
  204    HA   PRO  30           HA       PRO  30  -2.049  -5.860  -7.120
  205   1HB   PRO  30          1HB       PRO  30  -4.595  -6.059  -8.144
  206   2HB   PRO  30          2HB       PRO  30  -4.259  -5.647  -6.432
  207   1HG   PRO  30          1HG       PRO  30  -4.876  -3.778  -8.725
  208   2HG   PRO  30          2HG       PRO  30  -5.560  -3.762  -7.074
  209   1HD   PRO  30          1HD       PRO  30  -3.538  -2.118  -7.821
  210   2HD   PRO  30          2HD       PRO  30  -3.623  -2.793  -6.168
  211    H    LEU  31           H        LEU  31  -2.910  -3.681  -9.863
  212    HA   LEU  31           HA       LEU  31  -2.539  -5.538 -11.949
  213   1HB   LEU  31          1HB       LEU  31  -2.327  -2.550 -11.755
  214   2HB   LEU  31          2HB       LEU  31  -1.884  -3.371 -13.248
  215    HG   LEU  31           HG       LEU  31  -4.550  -3.828 -11.877
  216   1HD1  LEU  31          1HD1      LEU  31  -3.817  -1.905 -14.132
  217   2HD1  LEU  31          2HD1      LEU  31  -5.472  -2.260 -13.552
  218   3HD1  LEU  31          3HD1      LEU  31  -4.327  -1.469 -12.471
  219   1HD2  LEU  31          1HD2      LEU  31  -5.258  -4.585 -14.151
  220   2HD2  LEU  31          2HD2      LEU  31  -3.586  -4.393 -14.726
  221   3HD2  LEU  31          3HD2      LEU  31  -3.989  -5.606 -13.491
  222    H    LEU  32           H        LEU  32  -0.157  -4.034  -9.907
  223    HA   LEU  32           HA       LEU  32   2.070  -4.967 -11.670
  224   1HB   LEU  32          1HB       LEU  32   1.772  -2.943  -9.444
  225   2HB   LEU  32          2HB       LEU  32   3.346  -3.558  -9.809
  226    HG   LEU  32           HG       LEU  32   1.592  -2.251 -11.924
  227   1HD1  LEU  32          1HD1      LEU  32   3.026  -0.245 -11.609
  228   2HD1  LEU  32          2HD1      LEU  32   2.067  -0.611 -10.175
  229   3HD1  LEU  32          3HD1      LEU  32   3.800  -1.025 -10.209
  230   1HD2  LEU  32          1HD2      LEU  32   4.587  -2.873 -11.854
  231   2HD2  LEU  32          2HD2      LEU  32   3.370  -3.685 -12.862
  232   3HD2  LEU  32          3HD2      LEU  32   3.741  -1.987 -13.145
  233    H    GLN  33           H        GLN  33   0.107  -5.915  -9.131
  234    HA   GLN  33           HA       GLN  33   0.159  -7.066  -7.275
  235   1HB   GLN  33          1HB       GLN  33   0.367  -8.711  -9.238
  236   2HB   GLN  33          2HB       GLN  33   2.053  -8.922  -8.768
  237   1HG   GLN  33          1HG       GLN  33   0.360  -9.155  -6.411
  238   2HG   GLN  33          2HG       GLN  33  -0.339 -10.133  -7.687
  239   1HE2  GLN  33          1HE2      GLN  33   2.859  -9.476  -6.210
  240   2HE2  GLN  33          2HE2      GLN  33   3.433 -11.130  -6.197
  241    H    GLN  34           H        GLN  34   1.773  -4.883  -7.005
  242    HA   GLN  34           HA       GLN  34   3.878  -5.728  -5.137
  243   1HB   GLN  34          1HB       GLN  34   4.684  -5.920  -7.668
  244   2HB   GLN  34          2HB       GLN  34   4.674  -4.139  -7.584
  245   1HG   GLN  34          1HG       GLN  34   6.378  -4.212  -5.863
  246   2HG   GLN  34          2HG       GLN  34   6.379  -5.989  -5.927
  247   1HE2  GLN  34          1HE2      GLN  34   6.021  -5.819  -9.021
  248   2HE2  GLN  34          2HE2      GLN  34   7.648  -5.430  -9.562
  249    H    CYS  35           H        CYS  35   5.011  -3.742  -4.370
  250    HA   CYS  35           HA       CYS  35   3.199  -1.354  -4.419
  251   1HB   CYS  35          1HB       CYS  35   5.369  -2.109  -2.469
  252   2HB   CYS  35          2HB       CYS  35   4.556  -0.552  -2.491
  253    H    HIS  36           H        HIS  36   3.892   0.634  -4.756
  254    HA   HIS  36           HA       HIS  36   6.647   1.054  -5.832
  255   1HB   HIS  36          1HB       HIS  36   5.843   2.303  -7.756
  256   2HB   HIS  36          2HB       HIS  36   5.204   0.669  -7.785
  257    HD1  HIS  36           1HD      HIS  36   4.006   4.264  -6.853
  258    HD2  HIS  36           2HD      HIS  36   2.515   0.426  -7.960
  259    HE1  HIS  36           1HE      HIS  36   1.449   4.469  -7.116
  260    HE2  HIS  36           2HE      HIS  36   0.620   2.072  -7.813
  261    HA   PRO  37           HA       PRO  37   6.211   4.799  -3.413
  262   1HB   PRO  37          1HB       PRO  37   8.058   6.443  -4.759
  263   2HB   PRO  37          2HB       PRO  37   8.417   5.325  -3.426
  264   1HG   PRO  37          1HG       PRO  37   9.163   5.069  -6.242
  265   2HG   PRO  37          2HG       PRO  37   9.619   4.025  -4.863
  266   1HD   PRO  37          1HD       PRO  37   7.579   3.584  -6.914
  267   2HD   PRO  37          2HD       PRO  37   8.266   2.439  -5.731
  268    H    PHE  38           H        PHE  38   5.619   7.260  -3.778
  269    HA   PHE  38           HA       PHE  38   4.976   8.088  -6.414
  270   1HB   PHE  38          1HB       PHE  38   2.632   8.263  -6.355
  271   2HB   PHE  38          2HB       PHE  38   2.982   6.592  -6.028
  272    HD1  PHE  38           1HD      PHE  38   2.885   5.814  -3.477
  273    HD2  PHE  38           2HD      PHE  38   1.154   9.481  -4.987
  274    HE1  PHE  38           1HE      PHE  38   1.211   5.832  -1.632
  275    HE2  PHE  38           2HE      PHE  38  -0.472   9.461  -3.142
  276    HZ   PHE  38           HZ       PHE  38  -0.462   7.619  -1.471
  277    H    VAL  39           H        VAL  39   4.068  10.364  -6.295
  278    HA   VAL  39           HA       VAL  39   5.078  11.692  -3.837
  279    HB   VAL  39           HB       VAL  39   4.208  12.868  -6.521
  280   1HG1  VAL  39          1HG1      VAL  39   5.286  14.921  -5.619
  281   2HG1  VAL  39          2HG1      VAL  39   3.955  14.393  -4.580
  282   3HG1  VAL  39          3HG1      VAL  39   5.626  14.050  -4.100
  283   1HG2  VAL  39          1HG2      VAL  39   7.012  12.395  -5.400
  284   2HG2  VAL  39          2HG2      VAL  39   6.306  11.601  -6.828
  285   3HG2  VAL  39          3HG2      VAL  39   6.630  13.337  -6.855
  286    H    TYR  40           H        TYR  40   3.571  11.889  -2.305
  287    HA   TYR  40           HA       TYR  40   0.677  12.004  -2.941
  288   1HB   TYR  40          1HB       TYR  40   1.205  10.245  -1.429
  289   2HB   TYR  40          2HB       TYR  40   2.413  11.183  -0.614
  290    HD1  TYR  40           1HD      TYR  40   1.992  11.834   1.492
  291    HD2  TYR  40           2HD      TYR  40  -1.327  11.467  -1.240
  292    HE1  TYR  40           1HE      TYR  40   0.456  12.359   3.321
  293    HE2  TYR  40           2HE      TYR  40  -2.865  12.142   0.584
  294    HH   TYR  40           HH       TYR  40  -2.852  13.144   2.782
  295    H    GLY  41           H        GLY  41  -0.510  13.774  -1.804
  296   1HA   GLY  41          1HA       GLY  41   1.079  16.205  -1.954
  297   2HA   GLY  41          2HA       GLY  41  -0.645  16.094  -1.995
  298    H    GLY  42           H        GLY  42   0.348  14.230   0.598
  299   1HA   GLY  42          1HA       GLY  42   0.682  14.493   2.811
  300   2HA   GLY  42          2HA       GLY  42   0.963  16.223   2.620
  301    H    CYS  43           H        CYS  43  -1.595  16.796   1.379
  302    HA   CYS  43           HA       CYS  43  -3.450  16.585   3.638
  303   1HB   CYS  43          1HB       CYS  43  -4.673  18.280   2.582
  304   2HB   CYS  43          2HB       CYS  43  -2.988  18.710   2.426
  305    H    GLU  44           H        GLU  44  -5.878  16.387   2.379
  306    HA   GLU  44           HA       GLU  44  -6.670  13.876   2.513
  307   1HB   GLU  44          1HB       GLU  44  -7.691  15.654   0.295
  308   2HB   GLU  44          2HB       GLU  44  -8.505  14.296   1.067
  309   1HG   GLU  44          1HG       GLU  44  -9.460  16.063   2.149
  310   2HG   GLU  44          2HG       GLU  44  -8.212  15.613   3.293
  311    H    GLY  45           H        GLY  45  -6.586  11.908   1.413
  312   1HA   GLY  45          1HA       GLY  45  -6.228  11.572  -1.365
  313   2HA   GLY  45          2HA       GLY  45  -4.729  11.186  -0.511
  314    H    ASN  46           H        ASN  46  -5.358   8.859  -1.279
  315    HA   ASN  46           HA       ASN  46  -7.715   7.771   0.147
  316   1HB   ASN  46          1HB       ASN  46  -5.886   6.126  -1.606
  317   2HB   ASN  46          2HB       ASN  46  -7.523   5.787  -1.120
  318   1HD2  ASN  46          1HD2      ASN  46  -6.974   5.510  -3.883
  319   2HD2  ASN  46          2HD2      ASN  46  -7.783   6.854  -4.629
  320    H    GLY  47           H        GLY  47  -7.283   5.414   0.852
  321   1HA   GLY  47          1HA       GLY  47  -5.574   5.642   3.224
  322   2HA   GLY  47          2HA       GLY  47  -6.712   4.339   2.864
  323    H    ASN  48           H        ASN  48  -5.169   4.298   0.077
  324    HA   ASN  48           HA       ASN  48  -3.228   2.216   0.801
  325   1HB   ASN  48          1HB       ASN  48  -4.703   2.224  -1.233
  326   2HB   ASN  48          2HB       ASN  48  -3.843   3.523  -1.900
  327   1HD2  ASN  48          1HD2      ASN  48  -3.862   1.292  -3.362
  328   2HD2  ASN  48          2HD2      ASN  48  -2.414   0.346  -3.349
  329    H    ASN  49           H        ASN  49  -2.031   3.647   2.241
  330    HA   ASN  49           HA       ASN  49  -0.098   5.378   0.797
  331   1HB   ASN  49          1HB       ASN  49  -2.282   6.561   1.525
  332   2HB   ASN  49          2HB       ASN  49  -1.766   6.298   3.188
  333   1HD2  ASN  49          1HD2      ASN  49  -2.112   8.733   1.361
  334   2HD2  ASN  49          2HD2      ASN  49  -0.622   9.635   1.503
  335    H    PHE  50           H        PHE  50   1.740   4.467   1.405
  336    HA   PHE  50           HA       PHE  50   2.250   3.643   4.223
  337   1HB   PHE  50          1HB       PHE  50   3.106   2.467   1.546
  338   2HB   PHE  50          2HB       PHE  50   3.785   1.909   3.013
  339    HD1  PHE  50           1HD      PHE  50   0.915   1.789   0.760
  340    HD2  PHE  50           2HD      PHE  50   2.149   0.879   4.800
  341    HE1  PHE  50           1HE      PHE  50  -1.129   0.440   1.088
  342    HE2  PHE  50           2HE      PHE  50   0.067  -0.418   5.123
  343    HZ   PHE  50           HZ       PHE  50  -1.592  -0.621   3.271
  344    H    HIS  51           H        HIS  51   4.589   3.843   4.846
  345    HA   HIS  51           HA       HIS  51   5.856   6.195   3.483
  346   1HB   HIS  51          1HB       HIS  51   6.219   5.031   6.247
  347   2HB   HIS  51          2HB       HIS  51   7.460   6.015   5.510
  348    HD1  HIS  51           1HD      HIS  51   6.851   8.636   4.958
  349    HD2  HIS  51           2HD      HIS  51   4.148   6.378   7.328
  350    HE1  HIS  51           1HE      HIS  51   5.487  10.317   6.286
  351    HE2  HIS  51           2HE      HIS  51   3.786   8.954   7.686
  352    H    SER  52           H        SER  52   6.102   2.716   3.446
  353    HA   SER  52           HA       SER  52   8.750   3.019   2.211
  354   1HB   SER  52          1HB       SER  52   9.489   1.048   3.764
  355   2HB   SER  52          2HB       SER  52   9.549   2.704   4.374
  356    HG   SER  52           HG       SER  52   8.445   0.843   5.664
  357    H    ARG  53           H        ARG  53   9.457   1.133   1.204
  358    HA   ARG  53           HA       ARG  53   7.523  -0.286  -0.380
  359   1HB   ARG  53          1HB       ARG  53   9.829   0.161  -1.099
  360   2HB   ARG  53          2HB       ARG  53  10.458  -0.793   0.239
  361   1HG   ARG  53          1HG       ARG  53  10.509  -2.021  -1.796
  362   2HG   ARG  53          2HG       ARG  53   9.438  -2.827  -0.660
  363   1HD   ARG  53          1HD       ARG  53   7.517  -1.719  -1.971
  364   2HD   ARG  53          2HD       ARG  53   8.706  -1.203  -3.124
  365    HE   ARG  53           HE       ARG  53   8.277  -4.070  -2.366
  366   1HH1  ARG  53          2HH2      ARG  53   8.162  -1.944  -5.146
  367   2HH1  ARG  53          1HH2      ARG  53   8.810  -3.155  -6.207
  368   1HH2  ARG  53          2HH1      ARG  53   8.498  -5.569  -3.768
  369   2HH2  ARG  53          1HH1      ARG  53   8.923  -5.302  -5.458
  370    H    GLU  54           H        GLU  54   9.547  -1.172   2.334
  371    HA   GLU  54           HA       GLU  54   8.849  -3.769   2.959
  372   1HB   GLU  54          1HB       GLU  54  10.681  -2.689   3.917
  373   2HB   GLU  54          2HB       GLU  54   9.875  -1.216   4.208
  374   1HG   GLU  54          1HG       GLU  54   8.778  -3.236   6.013
  375   2HG   GLU  54          2HG       GLU  54  10.550  -3.275   6.054
  376    H    SER  55           H        SER  55   7.599  -1.075   4.878
  377    HA   SER  55           HA       SER  55   5.543  -2.473   5.928
  378   1HB   SER  55          1HB       SER  55   4.332  -0.336   6.427
  379   2HB   SER  55          2HB       SER  55   6.057  -0.272   6.806
  380    HG   SER  55           HG       SER  55   6.429   1.038   5.167
  381    H    CYS  56           H        CYS  56   5.342  -1.052   2.766
  382    HA   CYS  56           HA       CYS  56   2.502  -1.457   2.469
  383   1HB   CYS  56          1HB       CYS  56   4.253   0.071   1.153
  384   2HB   CYS  56          2HB       CYS  56   4.752  -1.370   0.363
  385    H    GLU  57           H        GLU  57   5.333  -3.314   1.419
  386    HA   GLU  57           HA       GLU  57   3.568  -5.344   0.249
  387   1HB   GLU  57          1HB       GLU  57   6.584  -5.352   0.624
  388   2HB   GLU  57          2HB       GLU  57   5.633  -6.684  -0.087
  389   1HG   GLU  57          1HG       GLU  57   4.538  -4.865  -1.593
  390   2HG   GLU  57          2HG       GLU  57   5.855  -3.812  -1.077
  391    H    ASP  58           H        ASP  58   5.073  -4.838   3.431
  392    HA   ASP  58           HA       ASP  58   4.260  -7.455   4.366
  393   1HB   ASP  58          1HB       ASP  58   6.079  -5.908   5.319
  394   2HB   ASP  58          2HB       ASP  58   4.761  -4.993   6.060
  395    H    ALA  59           H        ALA  59   2.561  -4.220   3.975
  396    HA   ALA  59           HA       ALA  59   0.389  -5.029   5.673
  397   1HB   ALA  59          1HB       ALA  59   0.531  -2.961   3.437
  398   2HB   ALA  59          2HB       ALA  59  -0.798  -3.146   4.600
  399   3HB   ALA  59          3HB       ALA  59   0.816  -2.684   5.175
  400    H    CYS  60           H        CYS  60   0.941  -5.234   2.108
  401    HA   CYS  60           HA       CYS  60  -1.218  -7.272   2.065
  402   1HB   CYS  60          1HB       CYS  60  -0.857  -5.002   0.145
  403   2HB   CYS  60          2HB       CYS  60  -1.541  -6.538  -0.372
  404    HA   PRO  61           HA       PRO  61   2.491  -9.301   0.438
  405   1HB   PRO  61          1HB       PRO  61   2.629 -11.382   2.181
  406   2HB   PRO  61          2HB       PRO  61   3.215  -9.755   2.638
  407   1HG   PRO  61          1HG       PRO  61   0.571 -11.048   3.336
  408   2HG   PRO  61          2HG       PRO  61   1.678 -10.117   4.398
  409   1HD   PRO  61          1HD       PRO  61  -0.558  -9.075   3.088
  410   2HD   PRO  61          2HD       PRO  61   0.822  -8.092   3.620
  411    H    VAL  62           H        VAL  62   2.371 -11.902  -0.090
  412    HA   VAL  62           HA       VAL  62  -0.394 -12.759  -0.517
  413    HB   VAL  62           HB       VAL  62   1.476 -13.077  -2.844
  414   1HG1  VAL  62          1HG1      VAL  62  -0.680 -13.151  -4.137
  415   2HG1  VAL  62          2HG1      VAL  62  -0.521 -14.435  -2.934
  416   3HG1  VAL  62          3HG1      VAL  62  -1.541 -13.017  -2.603
  417   1HG2  VAL  62          1HG2      VAL  62  -0.342 -10.646  -2.528
  418   2HG2  VAL  62          2HG2      VAL  62   1.428 -10.610  -2.638
  419   3HG2  VAL  62          3HG2      VAL  62   0.473 -11.116  -4.034
  420    H    VAL  63           H        VAL  63  -0.245 -15.128  -1.220
  421    HA   VAL  63           HA       VAL  63   1.408 -16.493   0.687
  422    HB   VAL  63           HB       VAL  63   0.338 -17.924  -1.725
  423   1HG1  VAL  63          1HG1      VAL  63   0.506 -18.708   1.204
  424   2HG1  VAL  63          2HG1      VAL  63  -0.056 -19.744  -0.124
  425   3HG1  VAL  63          3HG1      VAL  63   1.630 -19.204  -0.083
  426   1HG2  VAL  63          1HG2      VAL  63  -1.879 -18.227  -0.561
  427   2HG2  VAL  63          2HG2      VAL  63  -1.391 -16.996   0.622
  428   3HG2  VAL  63          3HG2      VAL  63  -1.618 -16.570  -1.088
  429    H    ASP  64           H        ASP  64   3.333 -17.411   0.429
  430    HA   ASP  64           HA       ASP  64   5.237 -16.243  -1.222
  431   1HB   ASP  64          1HB       ASP  64   6.112 -17.281   0.679
  432   2HB   ASP  64          2HB       ASP  64   5.337 -18.834   0.321
  433    H    HIS  65           H        HIS  65   5.428 -16.272  -3.372
  434    HA   HIS  65           HA       HIS  65   4.232 -18.285  -4.990
  435   1HB   HIS  65          1HB       HIS  65   6.081 -15.956  -5.628
  436   2HB   HIS  65          2HB       HIS  65   5.397 -17.022  -6.841
  437    HD1  HIS  65           1HD      HIS  65   2.919 -16.006  -4.054
  438    HD2  HIS  65           2HD      HIS  65   4.214 -14.786  -7.922
  439    HE1  HIS  65           1HE      HIS  65   1.204 -14.341  -4.942
  440    HE2  HIS  65           2HE      HIS  65   1.988 -13.565  -7.223
  441    H    HIS  66           H        HIS  66   7.344 -18.266  -3.389
  442    HA   HIS  66           HA       HIS  66   8.720 -19.842  -5.442
  443   1HB   HIS  66          1HB       HIS  66   9.300 -19.730  -2.451
  444   2HB   HIS  66          2HB       HIS  66  10.351 -20.368  -3.691
  445    HD1  HIS  66           1HD      HIS  66   9.190 -17.118  -2.154
  446    HD2  HIS  66           2HD      HIS  66  11.844 -18.544  -5.121
  447    HE1  HIS  66           1HE      HIS  66  10.805 -15.155  -2.714
  448    HE2  HIS  66           2HE      HIS  66  12.398 -16.040  -4.544
  449    H    HIS  67           H        HIS  67   8.961 -22.239  -5.249
  450    HA   HIS  67           HA       HIS  67   6.400 -23.412  -4.370
  451   1HB   HIS  67          1HB       HIS  67   8.787 -24.647  -5.789
  452   2HB   HIS  67          2HB       HIS  67   7.300 -25.488  -5.378
  453    HD1  HIS  67           1HD      HIS  67   7.615 -25.692  -8.282
  454    HD2  HIS  67           2HD      HIS  67   6.045 -22.181  -6.488
  455    HE1  HIS  67           1HE      HIS  67   6.297 -24.440 -10.105
  456    HE2  HIS  67           2HE      HIS  67   5.357 -22.311  -8.991
  457    H    HIS  68           H        HIS  68   6.870 -22.763  -2.116
  458    HA   HIS  68           HA       HIS  68   8.817 -24.200  -0.531
  459   1HB   HIS  68          1HB       HIS  68   7.334 -23.473   1.386
  460   2HB   HIS  68          2HB       HIS  68   7.893 -22.161   0.358
  461    HD1  HIS  68           1HD      HIS  68   6.071 -20.801  -1.017
  462    HD2  HIS  68           2HD      HIS  68   4.635 -23.972   1.404
  463    HE1  HIS  68           1HE      HIS  68   3.512 -20.598  -0.969
  464    HE2  HIS  68           2HE      HIS  68   2.649 -22.507   0.552
  465    H    HIS  69           H        HIS  69   8.309 -25.947   1.000
  466    HA   HIS  69           HA       HIS  69   6.676 -28.048  -0.195
  467   1HB   HIS  69          1HB       HIS  69   7.306 -29.361   1.774
  468   2HB   HIS  69          2HB       HIS  69   8.728 -28.610   1.077
  469    HD1  HIS  69           1HD      HIS  69   6.355 -28.216   4.154
  470    HD2  HIS  69           2HD      HIS  69  10.246 -27.214   2.769
  471    HE1  HIS  69           1HE      HIS  69   7.590 -27.208   6.132
  472    HE2  HIS  69           2HE      HIS  69   9.965 -26.601   5.314
  473    H    HIS  70           H        HIS  70   4.833 -29.075   1.088
  474    HA   HIS  70           HA       HIS  70   2.953 -27.015   2.013
  475   1HB   HIS  70          1HB       HIS  70   2.160 -29.089   0.817
  476   2HB   HIS  70          2HB       HIS  70   2.812 -30.069   2.138
  477    HD1  HIS  70           1HD      HIS  70   1.584 -27.980   4.429
  478    HD2  HIS  70           2HD      HIS  70  -0.351 -30.039   1.281
  479    HE1  HIS  70           1HE      HIS  70  -0.905 -28.256   5.137
  480    HE2  HIS  70           2HE      HIS  70  -2.070 -29.506   3.190