*HEADER    PROTEIN BINDING                         30-JAN-06   2DDJ              
*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 2DDJ    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      2.68                
  7 THR  HB      8 ASP- HN      5.50                
  7 THR  QG2     8 ASP- HN      5.26                
  8 ASP- HN      8 ASP- HB2     3.05                
  8 ASP- HN      8 ASP- HB3     3.02                
  8 ASP- HA      8 ASP- HB2     2.87                
  8 ASP- HA      9 ALA  HN      2.59                
  8 ASP- HA     10 CYSS HN      3.83                
  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      4.35                
  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     5.10                
  9 ALA  QB     47 GLY  HA2     4.48                
  9 ALA  QB     48 ASN  HN      5.16                
  9 ALA  QB     48 ASN  HA      5.47                
  9 ALA  QB     48 ASN  HB3     5.26                
  9 ALA  QB     50 PHE  QE      7.97                
  9 ALA  QB     50 PHE  HZ      5.10                
 10 CYSS HN     10 CYSS HB2     3.61                
 10 CYSS HN     10 CYSS HB3     2.90                
 10 CYSS HN     11 VAL  HN      2.99                
 10 CYSS HA     10 CYSS HB2     2.80                
 10 CYSS HA     10 CYSS HB3     2.99                
 10 CYSS HA     11 VAL  HN      3.64                
 10 CYSS HB3    11 VAL  HN      3.95                
 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     5.04                
 12 LEU  HN     48 ASN  HB3     5.28                
 12 LEU  HN     48 ASN  HD21    3.61                
 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     5.26                
 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     3.57                
 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     4.79                
 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     4.45                
 12 LEU  QD2    46 ASN  HB3     4.36                
 12 LEU  QD2    46 ASN  HD21    4.36                
 12 LEU  QD2    47 GLY  HN      4.45                
 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     5.60                
 14 ALA  QB     38 PHE  HB3     5.54                
 14 ALA  QB     38 PHE  QD      7.07                
 14 ALA  QB     38 PHE  QE      7.94                
 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      5.04                
 15 VAL  QG2    17 GLY  HN      6.03                
 15 VAL  QG2    17 GLY  HA1     6.53                
 15 VAL  QG2    46 ASN  HN      5.81                
 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      6.38                
 16 GLN  HA     38 PHE  QE      5.79                
 16 GLN  HA     40 TYR  HD2     3.58                
 16 GLN  HA     41 GLY  HN      3.42                
 16 GLN  HB2    16 GLN  HE22    4.45                
 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     2.65                
 17 GLY  HN     17 GLY  HA2     2.87                
 17 GLY  HN     18 PRO  HD2     5.47                
 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     3.11                
 17 GLY  HA2    18 PRO  HD3     3.21                
 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     3.24                
 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      4.14                
 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     3.83                
 20 ARG+ HN     20 ARG+ QG      5.04                
 20 ARG+ HA     20 ARG+ HB3     2.77                
 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      4.91                
 20 ARG+ HB3    21 GLY  HN      4.14                
 20 ARG+ HB3    22 TRP  HZ2     4.04                
 20 ARG+ QG     21 GLY  HN      6.04                
 20 ARG+ QG     22 TRP  HZ2     4.80                
 20 ARG+ QD     22 TRP  HZ2     5.60                
 21 GLY  HN     21 GLY  HA2     2.77                
 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     2.90                
 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     4.45                
 22 TRP  HB2    22 TRP  HD1     3.39                
 22 TRP  HB2    23 GLU- HN      4.69                
 22 TRP  HB2    39 VAL  QG1     4.45                
 22 TRP  HB3    22 TRP  HD1     3.79                
 22 TRP  HB3    22 TRP  HE3     3.76                
 22 TRP  HB3    23 GLU- HN      3.61                
 22 TRP  HB3    39 VAL  QG1     3.89                
 22 TRP  HD1    39 VAL  QG1     5.32                
 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     3.39                
 22 TRP  HE3    41 GLY  HA2     4.76                
 22 TRP  HZ3    39 VAL  QG1     5.10                
 22 TRP  HZ3    41 GLY  HA1     4.35                
 22 TRP  HZ3    41 GLY  HA2     4.45                
 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      3.67                
 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     3.98                
 23 GLU- HG2    40 TYR  HE1     4.69                
 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      3.77                
 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     3.61                
 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     4.52                
 25 ARG+ HG3    26 TRP  HN      5.50                
 25 ARG+ HG3    38 PHE  QD      7.06                
 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     3.89                
 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      3.67                
 26 TRP  HA     38 PHE  HN      3.61                
 26 TRP  HA     38 PHE  QD      5.70                
 26 TRP  HB2    26 TRP  HD1     3.73                
 26 TRP  HB2    26 TRP  HE3     4.11                
 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      4.76                
 26 TRP  HD1    52 SER  HA      3.52                
 26 TRP  HE3    36 HIS+ HN      3.86                
 26 TRP  HE3    36 HIS+ HA      3.58                
 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      5.45                
 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      5.23                
 26 TRP  HE3    53 ARG+ HG2     5.50                
 26 TRP  HE3    53 ARG+ HD3     3.33                
 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     4.04                
 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      5.54                
 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      3.14                
 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     6.09                
 27 ALA  QB     38 PHE  QD      6.51                
 27 ALA  QB     38 PHE  QE      6.32                
 27 ALA  QB     38 PHE  HZ      5.69                
 27 ALA  QB     48 ASN  HD21    4.30                
 28 TYR  HN     28 TYR  HB2     2.93                
 28 TYR  HN     28 TYR  HB3     2.90                
 28 TYR  HN     48 ASN  HD22    3.14                
 28 TYR  HA     28 TYR  HD1     4.45                
 28 TYR  HA     28 TYR  HD2     4.72                
 28 TYR  HA     29 SER  HN      2.56                
 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    3.95                
 28 TYR  HB3    28 TYR  HD1     3.33                
 28 TYR  HB3    48 ASN  HD22    3.76                
 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      5.22                
 28 TYR  HE2    34 GLN  HA      4.14                
 28 TYR  HE2    61 PRO  HD2     5.38                
 28 TYR  HE2    61 PRO  HD3     3.89                
 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     3.05                
 29 SER  HA     31 LEU  HN      3.76                
 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     3.92                
 29 SER  HB3    32 LEU  HB3     3.98                
 29 SER  HB3    32 LEU  QD1     5.75                
 29 SER  HB3    36 HIS+ HD2     3.33                
 30 PRO  HA     33 GLN  HA      4.51                
 30 PRO  HA     34 GLN  HN      4.38                
 30 PRO  HB2    31 LEU  HN      3.33                
 30 PRO  HB3    31 LEU  HN      4.60                
 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      3.24                
 31 LEU  HN     31 LEU  QD1     6.40                
 31 LEU  HN     31 LEU  QD2     6.53                
 31 LEU  HN     33 GLN  HN      3.76                
 31 LEU  HA     31 LEU  HB2     3.02                
 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     3.33                
 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     2.87                
 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     3.70                
 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      7.22                
 37 PRO  HB2    38 PHE  HN      3.70                
 37 PRO  HB3    38 PHE  HN      3.39                
 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      2.96                
 38 PHE  HB3    39 VAL  HN      4.51                
 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      4.38                
 38 PHE  HZ     49 ASN  HB2     4.76                
 38 PHE  HZ     49 ASN  HB3     4.91                
 38 PHE  HZ     49 ASN  QB      4.43                
 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     3.64                
 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     3.30                
 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    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     2.96                
 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      2.80                
 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      3.95                
 44 GLU- HN     45 GLY  HN      5.25                
 44 GLU- HA     44 GLU- HB3     2.80                
 44 GLU- HA     44 GLU- HG2     3.52                
 44 GLU- HA     44 GLU- HG3     3.52                
 44 GLU- HA     45 GLY  HN      3.61                
 44 GLU- HB2    45 GLY  HN      4.23                
 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     3.45                
 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      2.77                
 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      4.35                
 50 PHE  HN     50 PHE  HB2     3.64                
 50 PHE  HN     50 PHE  HB3     3.64                
 50 PHE  HN     50 PHE  QB      3.30                
 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     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      3.27                
 51 HIS+ HA     51 HIS+ HD2     4.38                
 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      5.07                
 52 SER  HN     55 SER  QB      4.42                
 52 SER  HA     53 ARG+ HN      2.62                
 52 SER  HA     53 ARG+ QB      5.79                
 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      3.20                
 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      3.45                
 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     4.29                
 53 ARG+ HB2    53 ARG+ HD3     4.23                
 53 ARG+ HB2    54 GLU- HN      3.98                
 53 ARG+ HB3    53 ARG+ HD2     4.29                
 53 ARG+ HB3    53 ARG+ HD3     4.23                
 53 ARG+ HB3    54 GLU- HN      3.98                
 53 ARG+ QB     53 ARG+ HD2     3.66                
 53 ARG+ QB     53 ARG+ HD3     3.62                
 53 ARG+ QB     53 ARG+ HE      6.38                
 53 ARG+ QB     54 GLU- HN      3.45                
 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     4.04                
 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      3.14                
 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     4.14                
 57 GLU- HN     57 GLU- HG3     4.14                
 57 GLU- HN     57 GLU- QG      3.68                
 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      3.42                
 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     3.08                
 60 CYSS HN     60 CYSS HB3     3.76                
 60 CYSS HA     60 CYSS HB3     2.93                
 60 CYSS HA     61 PRO  HA      2.83                
 60 CYSS HA     62 VAL  HB      4.06                
 60 CYSS HB2    61 PRO  HA      3.42                
 61 PRO  HA     62 VAL  HN      3.05                
 62 VAL  HN     62 VAL  HB      3.11                
 62 VAL  HN     62 VAL  QG2     4.39                
 62 VAL  HA     63 VAL  HN      2.77                
 62 VAL  HB     63 VAL  HN      3.15                
 62 VAL  QG1    63 VAL  HN      5.04                
 62 VAL  QG2    63 VAL  HN      6.43                
 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     -95.0   -35.0
  10 CYSS  CHI1   -200.0  -160.0
  10 CYSS  PSI     -65.0   -10.0
  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   -95.0
  60 CYSS  CHI1    -80.0   -40.0
  60 CYSS  PSI     115.0   165.0
  61 PRO   PSI    -265.0     5.0
  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
   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  -6.195 -12.785   8.124
    2   2H    GLU   1          2H        GLU   1  -4.981 -13.035   9.159
    3   3H    GLU   1          H         GLU   1  -5.335 -14.206   8.019
    4    HA   GLU   1           HA       GLU   1  -3.364 -13.033   7.384
    5   1HB   GLU   1          1HB       GLU   1  -5.860 -12.437   5.727
    6   2HB   GLU   1          2HB       GLU   1  -4.248 -11.981   5.191
    7   1HG   GLU   1          1HG       GLU   1  -4.743 -14.002   4.109
    8   2HG   GLU   1          2HG       GLU   1  -3.488 -14.325   5.309
    9    H    ALA   2           H        ALA   2  -3.350 -10.512   5.985
   10    HA   ALA   2           HA       ALA   2  -4.138  -8.421   7.876
   11   1HB   ALA   2          1HB       ALA   2  -3.434  -8.390   4.914
   12   2HB   ALA   2          2HB       ALA   2  -3.851  -6.961   5.877
   13   3HB   ALA   2          3HB       ALA   2  -2.380  -7.881   6.251
   14    H    GLU   3           H        GLU   3  -6.231  -8.501   8.321
   15    HA   GLU   3           HA       GLU   3  -8.169  -9.922   6.967
   16   1HB   GLU   3          1HB       GLU   3  -8.424  -7.765   9.098
   17   2HB   GLU   3          2HB       GLU   3  -9.771  -8.774   8.562
   18   1HG   GLU   3          1HG       GLU   3  -7.200  -9.753   9.875
   19   2HG   GLU   3          2HG       GLU   3  -8.816  -9.733  10.584
   20    H    ALA   4           H        ALA   4  -7.209  -6.816   6.098
   21    HA   ALA   4           HA       ALA   4  -9.250  -5.244   5.468
   22   1HB   ALA   4          1HB       ALA   4  -6.844  -5.752   3.697
   23   2HB   ALA   4          2HB       ALA   4  -7.855  -4.297   3.691
   24   3HB   ALA   4          3HB       ALA   4  -6.900  -4.699   5.131
   25    H    GLU   5           H        GLU   5 -11.026  -6.837   5.017
   26    HA   GLU   5           HA       GLU   5 -11.552  -7.458   2.266
   27   1HB   GLU   5          1HB       GLU   5 -13.324  -7.300   4.751
   28   2HB   GLU   5          2HB       GLU   5 -13.981  -7.675   3.164
   29   1HG   GLU   5          1HG       GLU   5 -12.010  -9.322   4.764
   30   2HG   GLU   5          2HG       GLU   5 -13.625  -9.764   4.218
   31    H    PHE   6           H        PHE   6 -11.733  -4.589   3.998
   32    HA   PHE   6           HA       PHE   6 -13.717  -3.098   2.437
   33   1HB   PHE   6          1HB       PHE   6 -13.158  -2.535   4.790
   34   2HB   PHE   6          2HB       PHE   6 -11.479  -2.277   4.341
   35    HD1  PHE   6           1HD      PHE   6 -14.919  -1.054   3.321
   36    HD2  PHE   6           2HD      PHE   6 -10.773  -0.053   4.025
   37    HE1  PHE   6           1HE      PHE   6 -15.372   1.303   2.708
   38    HE2  PHE   6           2HE      PHE   6 -11.241   2.292   3.420
   39    HZ   PHE   6           HZ       PHE   6 -13.538   2.983   2.747
   40    H    THR   7           H        THR   7 -12.353  -0.859   1.690
   41    HA   THR   7           HA       THR   7 -11.060  -1.550  -0.766
   42    HB   THR   7           HB       THR   7 -10.783   1.115   0.683
   43    HG1  THR   7           1HG      THR   7 -12.871   1.010   0.831
   44   1HG2  THR   7          1HG2      THR   7 -11.187   0.395  -2.256
   45   2HG2  THR   7          2HG2      THR   7 -10.949   2.025  -1.592
   46   3HG2  THR   7          3HG2      THR   7  -9.636   0.830  -1.499
   47    H    ASP   8           H        ASP   8  -9.426  -2.989  -0.244
   48    HA   ASP   8           HA       ASP   8  -7.398  -2.651   1.721
   49   1HB   ASP   8          1HB       ASP   8  -8.182  -4.799   0.740
   50   2HB   ASP   8          2HB       ASP   8  -7.480  -4.343  -0.804
   51    H    ALA   9           H        ALA   9  -5.313  -1.981   1.518
   52    HA   ALA   9           HA       ALA   9  -4.680   0.168  -0.301
   53   1HB   ALA   9          1HB       ALA   9  -2.382  -0.138   0.685
   54   2HB   ALA   9          2HB       ALA   9  -3.647   0.089   1.913
   55   3HB   ALA   9          3HB       ALA   9  -2.985  -1.531   1.590
   56    H    CYS  10           H        CYS  10  -4.032  -3.331  -0.128
   57    HA   CYS  10           HA       CYS  10  -2.163  -3.523  -2.265
   58   1HB   CYS  10          1HB       CYS  10  -2.706  -5.223  -0.512
   59   2HB   CYS  10          2HB       CYS  10  -4.222  -5.545  -1.332
   60    H    VAL  11           H        VAL  11  -5.674  -3.089  -2.300
   61    HA   VAL  11           HA       VAL  11  -5.841  -3.798  -5.177
   62    HB   VAL  11           HB       VAL  11  -7.989  -3.415  -3.053
   63   1HG1  VAL  11          1HG1      VAL  11  -9.514  -4.529  -4.686
   64   2HG1  VAL  11          2HG1      VAL  11  -8.974  -2.947  -5.236
   65   3HG1  VAL  11          3HG1      VAL  11  -8.239  -4.410  -5.924
   66   1HG2  VAL  11          1HG2      VAL  11  -6.908  -5.967  -4.346
   67   2HG2  VAL  11          2HG2      VAL  11  -6.649  -5.483  -2.664
   68   3HG2  VAL  11          3HG2      VAL  11  -8.273  -5.877  -3.210
   69    H    LEU  12           H        LEU  12  -5.168  -0.973  -3.329
   70    HA   LEU  12           HA       LEU  12  -6.921   0.696  -5.046
   71   1HB   LEU  12          1HB       LEU  12  -7.605   0.889  -2.899
   72   2HB   LEU  12          2HB       LEU  12  -5.967   0.905  -2.214
   73    HG   LEU  12           HG       LEU  12  -5.988   3.270  -3.567
   74   1HD1  LEU  12          1HD1      LEU  12  -8.844   3.027  -2.540
   75   2HD1  LEU  12          2HD1      LEU  12  -8.106   4.373  -3.448
   76   3HD1  LEU  12          3HD1      LEU  12  -8.447   2.828  -4.245
   77   1HD2  LEU  12          1HD2      LEU  12  -6.477   4.331  -1.499
   78   2HD2  LEU  12          2HD2      LEU  12  -7.151   2.820  -0.805
   79   3HD2  LEU  12          3HD2      LEU  12  -5.425   2.945  -1.220
   80    HA   PRO  13           HA       PRO  13  -3.099   2.269  -6.710
   81   1HB   PRO  13          1HB       PRO  13  -3.988   4.801  -7.567
   82   2HB   PRO  13          2HB       PRO  13  -4.090   3.275  -8.476
   83   1HG   PRO  13          1HG       PRO  13  -6.240   4.780  -7.095
   84   2HG   PRO  13          2HG       PRO  13  -6.380   3.536  -8.370
   85   1HD   PRO  13          1HD       PRO  13  -6.790   3.255  -5.550
   86   2HD   PRO  13          2HD       PRO  13  -6.868   1.948  -6.724
   87    H    ALA  14           H        ALA  14  -1.706   4.290  -6.535
   88    HA   ALA  14           HA       ALA  14  -1.355   5.002  -3.714
   89   1HB   ALA  14          1HB       ALA  14  -0.031   6.182  -6.211
   90   2HB   ALA  14          2HB       ALA  14   0.545   6.295  -4.535
   91   3HB   ALA  14          3HB       ALA  14   0.555   4.729  -5.369
   92    H    VAL  15           H        VAL  15  -1.739   7.171  -2.854
   93    HA   VAL  15           HA       VAL  15  -3.195   9.035  -4.653
   94    HB   VAL  15           HB       VAL  15  -3.910   8.546  -1.761
   95   1HG1  VAL  15          1HG1      VAL  15  -5.211  10.317  -3.865
   96   2HG1  VAL  15          2HG1      VAL  15  -5.872   9.987  -2.250
   97   3HG1  VAL  15          3HG1      VAL  15  -4.349  10.850  -2.398
   98   1HG2  VAL  15          1HG2      VAL  15  -6.108   7.706  -2.740
   99   2HG2  VAL  15          2HG2      VAL  15  -5.333   7.711  -4.330
  100   3HG2  VAL  15          3HG2      VAL  15  -4.732   6.635  -3.047
  101    H    GLN  16           H        GLN  16  -2.475  10.968  -4.564
  102    HA   GLN  16           HA       GLN  16   0.005  11.546  -3.068
  103   1HB   GLN  16          1HB       GLN  16  -1.397  13.268  -5.160
  104   2HB   GLN  16          2HB       GLN  16   0.210  13.513  -4.467
  105   1HG   GLN  16          1HG       GLN  16   0.814  11.189  -5.420
  106   2HG   GLN  16          2HG       GLN  16  -0.698  11.281  -6.327
  107   1HE2  GLN  16          1HE2      GLN  16   2.556  12.617  -5.979
  108   2HE2  GLN  16          2HE2      GLN  16   2.470  13.653  -7.415
  109    H    GLY  17           H        GLY  17  -3.293  12.908  -3.477
  110   1HA   GLY  17          1HA       GLY  17  -4.551  13.649  -1.580
  111   2HA   GLY  17          2HA       GLY  17  -3.047  14.294  -0.890
  112    HA   PRO  18           HA       PRO  18  -5.196  17.391  -3.728
  113   1HB   PRO  18          1HB       PRO  18  -6.224  19.218  -1.958
  114   2HB   PRO  18          2HB       PRO  18  -7.043  17.684  -2.371
  115   1HG   PRO  18          1HG       PRO  18  -5.269  18.251   0.030
  116   2HG   PRO  18          2HG       PRO  18  -6.899  17.504   0.011
  117   1HD   PRO  18          1HD       PRO  18  -4.644  15.978   0.074
  118   2HD   PRO  18          2HD       PRO  18  -6.068  15.481  -0.873
  119    H    CYS  19           H        CYS  19  -2.627  17.669  -1.446
  120    HA   CYS  19           HA       CYS  19  -2.152  20.499  -1.779
  121   1HB   CYS  19          1HB       CYS  19  -0.458  18.338  -0.482
  122   2HB   CYS  19          2HB       CYS  19  -0.170  20.078  -0.365
  123    H    ARG  20           H        ARG  20   0.455  20.920  -2.060
  124    HA   ARG  20           HA       ARG  20   1.389  19.674  -4.568
  125   1HB   ARG  20          1HB       ARG  20   0.934  22.628  -4.121
  126   2HB   ARG  20          2HB       ARG  20   2.198  22.053  -5.184
  127   1HG   ARG  20          1HG       ARG  20   0.761  21.815  -6.847
  128   2HG   ARG  20          2HG       ARG  20  -0.090  20.555  -5.987
  129   1HD   ARG  20          1HD       ARG  20  -0.651  23.530  -5.706
  130   2HD   ARG  20          2HD       ARG  20  -1.485  22.464  -6.843
  131    HE   ARG  20           HE       ARG  20  -2.126  21.098  -4.774
  132   1HH1  ARG  20          2HH2      ARG  20  -1.898  24.644  -4.793
  133   2HH1  ARG  20          1HH2      ARG  20  -3.177  24.889  -3.657
  134   1HH2  ARG  20          2HH1      ARG  20  -3.880  21.419  -3.344
  135   2HH2  ARG  20          1HH1      ARG  20  -4.323  22.982  -2.764
  136    H    GLY  21           H        GLY  21   2.029  19.843  -1.587
  137   1HA   GLY  21          1HA       GLY  21   4.923  20.606  -1.634
  138   2HA   GLY  21          2HA       GLY  21   4.003  20.023  -0.203
  139    H    TRP  22           H        TRP  22   6.435  18.468  -1.092
  140    HA   TRP  22           HA       TRP  22   5.134  16.099  -2.201
  141   1HB   TRP  22          1HB       TRP  22   7.674  17.386  -3.240
  142   2HB   TRP  22          2HB       TRP  22   7.066  15.830  -3.737
  143    HD1  TRP  22           HD       TRP  22   7.447  18.904  -5.187
  144    HE1  TRP  22           1HE      TRP  22   5.602  19.714  -6.756
  145    HE3  TRP  22           3HE      TRP  22   3.695  15.674  -3.823
  146    HZ2  TRP  22           2HZ      TRP  22   2.853  19.064  -7.356
  147    HZ3  TRP  22           3HZ      TRP  22   1.486  15.797  -4.918
  148    HH2  TRP  22           HH       TRP  22   1.042  17.486  -6.672
  149    H    GLU  23           H        GLU  23   5.555  14.561  -1.006
  150    HA   GLU  23           HA       GLU  23   7.885  14.335   0.845
  151   1HB   GLU  23          1HB       GLU  23   5.912  15.104   2.031
  152   2HB   GLU  23          2HB       GLU  23   4.882  13.945   1.202
  153   1HG   GLU  23          1HG       GLU  23   5.081  13.161   3.366
  154   2HG   GLU  23          2HG       GLU  23   6.034  12.079   2.367
  155    HA   PRO  24           HA       PRO  24   7.928  10.317  -1.501
  156   1HB   PRO  24          1HB       PRO  24  10.035   9.118  -0.274
  157   2HB   PRO  24          2HB       PRO  24  10.227  10.441  -1.463
  158   1HG   PRO  24          1HG       PRO  24  10.259  10.639   1.564
  159   2HG   PRO  24          2HG       PRO  24  11.415  11.353   0.394
  160   1HD   PRO  24          1HD       PRO  24   9.358  12.767   1.465
  161   2HD   PRO  24          2HD       PRO  24   9.882  13.045  -0.219
  162    H    ARG  25           H        ARG  25   6.787   8.620  -1.204
  163    HA   ARG  25           HA       ARG  25   6.563   7.264   1.406
  164   1HB   ARG  25          1HB       ARG  25   4.221   8.263  -0.279
  165   2HB   ARG  25          2HB       ARG  25   4.027   6.962   0.893
  166   1HG   ARG  25          1HG       ARG  25   4.987   9.758   1.582
  167   2HG   ARG  25          2HG       ARG  25   3.345   9.137   1.763
  168   1HD   ARG  25          1HD       ARG  25   4.083   7.450   3.344
  169   2HD   ARG  25          2HD       ARG  25   5.758   7.988   3.201
  170    HE   ARG  25           HE       ARG  25   3.484   9.460   4.421
  171   1HH1  ARG  25          2HH2      ARG  25   6.961   9.687   3.412
  172   2HH1  ARG  25          1HH2      ARG  25   7.219  10.986   4.524
  173   1HH2  ARG  25          2HH1      ARG  25   4.079  11.308   5.872
  174   2HH2  ARG  25          1HH1      ARG  25   5.703  11.907   5.648
  175    H    TRP  26           H        TRP  26   5.107   5.191   0.849
  176    HA   TRP  26           HA       TRP  26   6.171   3.927  -1.624
  177   1HB   TRP  26          1HB       TRP  26   6.010   2.947   1.254
  178   2HB   TRP  26          2HB       TRP  26   6.238   1.870  -0.126
  179    HD1  TRP  26           HD       TRP  26   8.013   4.702   1.801
  180    HE1  TRP  26           1HE      TRP  26  10.527   4.568   1.354
  181    HE3  TRP  26           3HE      TRP  26   8.046   0.710  -1.334
  182    HZ2  TRP  26           2HZ      TRP  26  12.267   3.241  -0.612
  183    HZ3  TRP  26           3HZ      TRP  26  10.065   0.199  -2.714
  184    HH2  TRP  26           HH       TRP  26  12.167   1.425  -2.338
  185    H    ALA  27           H        ALA  27   4.555   2.697  -2.761
  186    HA   ALA  27           HA       ALA  27   2.037   2.188  -1.367
  187   1HB   ALA  27          1HB       ALA  27   1.310   4.231  -2.382
  188   2HB   ALA  27          2HB       ALA  27   2.137   3.833  -3.927
  189   3HB   ALA  27          3HB       ALA  27   0.711   2.938  -3.404
  190    H    TYR  28           H        TYR  28   0.955   0.465  -2.188
  191    HA   TYR  28           HA       TYR  28   2.552  -1.370  -3.777
  192   1HB   TYR  28          1HB       TYR  28   1.160  -2.162  -1.859
  193   2HB   TYR  28          2HB       TYR  28  -0.288  -1.645  -2.714
  194    HD1  TYR  28           1HD      TYR  28  -1.292  -3.050  -4.346
  195    HD2  TYR  28           2HD      TYR  28   2.690  -3.922  -2.993
  196    HE1  TYR  28           1HE      TYR  28  -1.401  -5.256  -5.468
  197    HE2  TYR  28           2HE      TYR  28   2.618  -6.097  -4.161
  198    HH   TYR  28           HH       TYR  28   1.380  -7.531  -5.465
  199    H    SER  29           H        SER  29   2.165  -2.062  -5.866
  200    HA   SER  29           HA       SER  29  -0.035  -0.736  -7.356
  201   1HB   SER  29          1HB       SER  29   2.878  -1.118  -7.999
  202   2HB   SER  29          2HB       SER  29   1.757  -0.842  -9.289
  203    HG   SER  29           HG       SER  29   1.450   0.704  -7.002
  204    HA   PRO  30           HA       PRO  30  -0.765  -5.210  -7.720
  205   1HB   PRO  30          1HB       PRO  30  -3.279  -5.048  -8.872
  206   2HB   PRO  30          2HB       PRO  30  -2.973  -4.983  -7.113
  207   1HG   PRO  30          1HG       PRO  30  -3.440  -2.692  -9.023
  208   2HG   PRO  30          2HG       PRO  30  -4.090  -2.919  -7.367
  209   1HD   PRO  30          1HD       PRO  30  -1.961  -1.310  -7.894
  210   2HD   PRO  30          2HD       PRO  30  -2.065  -2.253  -6.380
  211    H    LEU  31           H        LEU  31  -1.231  -2.685 -10.171
  212    HA   LEU  31           HA       LEU  31  -0.992  -4.340 -12.482
  213   1HB   LEU  31          1HB       LEU  31  -0.656  -1.401 -11.951
  214   2HB   LEU  31          2HB       LEU  31  -0.283  -2.082 -13.532
  215    HG   LEU  31           HG       LEU  31  -2.954  -2.598 -12.167
  216   1HD1  LEU  31          1HD1      LEU  31  -2.644  -0.189 -12.430
  217   2HD1  LEU  31          2HD1      LEU  31  -2.225  -0.418 -14.148
  218   3HD1  LEU  31          3HD1      LEU  31  -3.865  -0.803 -13.563
  219   1HD2  LEU  31          1HD2      LEU  31  -2.070  -2.797 -15.089
  220   2HD2  LEU  31          2HD2      LEU  31  -2.454  -4.162 -14.025
  221   3HD2  LEU  31          3HD2      LEU  31  -3.727  -3.040 -14.496
  222    H    LEU  32           H        LEU  32   1.403  -3.466 -10.135
  223    HA   LEU  32           HA       LEU  32   3.594  -4.308 -11.970
  224   1HB   LEU  32          1HB       LEU  32   3.442  -2.509  -9.562
  225   2HB   LEU  32          2HB       LEU  32   4.969  -3.197 -10.038
  226    HG   LEU  32           HG       LEU  32   3.278  -1.553 -11.963
  227   1HD1  LEU  32          1HD1      LEU  32   5.598  -0.654 -10.206
  228   2HD1  LEU  32          2HD1      LEU  32   4.872   0.303 -11.516
  229   3HD1  LEU  32          3HD1      LEU  32   3.902  -0.112 -10.101
  230   1HD2  LEU  32          1HD2      LEU  32   4.915  -3.005 -13.091
  231   2HD2  LEU  32          2HD2      LEU  32   5.421  -1.323 -13.211
  232   3HD2  LEU  32          3HD2      LEU  32   6.211  -2.405 -12.039
  233    H    GLN  33           H        GLN  33   1.484  -5.331  -9.665
  234    HA   GLN  33           HA       GLN  33   1.228  -6.805  -8.124
  235   1HB   GLN  33          1HB       GLN  33   1.948  -8.169 -10.167
  236   2HB   GLN  33          2HB       GLN  33   3.513  -8.364  -9.375
  237   1HG   GLN  33          1HG       GLN  33   1.416  -8.974  -7.476
  238   2HG   GLN  33          2HG       GLN  33   1.034  -9.797  -8.973
  239   1HE2  GLN  33          1HE2      GLN  33   3.837  -9.302  -6.745
  240   2HE2  GLN  33          2HE2      GLN  33   4.438 -10.961  -6.953
  241    H    GLN  34           H        GLN  34   3.165  -4.569  -7.540
  242    HA   GLN  34           HA       GLN  34   4.412  -5.647  -5.141
  243   1HB   GLN  34          1HB       GLN  34   5.979  -6.250  -7.168
  244   2HB   GLN  34          2HB       GLN  34   6.344  -4.516  -7.154
  245   1HG   GLN  34          1HG       GLN  34   7.168  -4.701  -4.816
  246   2HG   GLN  34          2HG       GLN  34   6.779  -6.419  -4.819
  247   1HE2  GLN  34          1HE2      GLN  34   7.848  -7.620  -6.877
  248   2HE2  GLN  34          2HE2      GLN  34   9.519  -7.160  -7.148
  249    H    CYS  35           H        CYS  35   5.665  -3.901  -4.038
  250    HA   CYS  35           HA       CYS  35   4.376  -1.273  -4.353
  251   1HB   CYS  35          1HB       CYS  35   6.116  -2.644  -2.362
  252   2HB   CYS  35          2HB       CYS  35   6.030  -0.894  -2.304
  253    H    HIS  36           H        HIS  36   5.480   0.595  -4.305
  254    HA   HIS  36           HA       HIS  36   8.342   0.670  -4.944
  255   1HB   HIS  36          1HB       HIS  36   8.111   1.862  -7.081
  256   2HB   HIS  36          2HB       HIS  36   7.343   0.295  -7.185
  257    HD1  HIS  36           1HD      HIS  36   6.391   4.035  -6.824
  258    HD2  HIS  36           2HD      HIS  36   4.642   0.273  -7.826
  259    HE1  HIS  36           1HE      HIS  36   4.026   4.491  -7.702
  260    HE2  HIS  36           2HE      HIS  36   3.012   2.139  -8.257
  261    HA   PRO  37           HA       PRO  37   7.726   4.529  -2.808
  262   1HB   PRO  37          1HB       PRO  37   9.751   6.158  -3.820
  263   2HB   PRO  37          2HB       PRO  37   9.895   4.973  -2.505
  264   1HG   PRO  37          1HG       PRO  37  10.809   4.770  -5.340
  265   2HG   PRO  37          2HG       PRO  37  11.409   3.889  -3.901
  266   1HD   PRO  37          1HD       PRO  37   9.671   2.910  -5.920
  267   2HD   PRO  37          2HD       PRO  37  10.064   2.112  -4.380
  268    H    PHE  38           H        PHE  38   7.155   6.964  -3.229
  269    HA   PHE  38           HA       PHE  38   6.665   7.736  -5.935
  270   1HB   PHE  38          1HB       PHE  38   4.341   7.692  -6.080
  271   2HB   PHE  38          2HB       PHE  38   4.734   6.094  -5.505
  272    HD1  PHE  38           1HD      PHE  38   4.492   5.679  -2.891
  273    HD2  PHE  38           2HD      PHE  38   2.701   8.991  -4.999
  274    HE1  PHE  38           1HE      PHE  38   2.756   5.909  -1.117
  275    HE2  PHE  38           2HE      PHE  38   1.022   9.218  -3.223
  276    HZ   PHE  38           HZ       PHE  38   1.020   7.648  -1.276
  277    H    VAL  39           H        VAL  39   5.457   9.894  -5.925
  278    HA   VAL  39           HA       VAL  39   6.353  11.504  -3.617
  279    HB   VAL  39           HB       VAL  39   5.476  12.134  -6.467
  280   1HG1  VAL  39          1HG1      VAL  39   6.026  14.546  -5.827
  281   2HG1  VAL  39          2HG1      VAL  39   4.514  13.901  -5.190
  282   3HG1  VAL  39          3HG1      VAL  39   5.926  14.011  -4.128
  283   1HG2  VAL  39          1HG2      VAL  39   8.076  12.646  -4.945
  284   2HG2  VAL  39          2HG2      VAL  39   7.829  11.383  -6.174
  285   3HG2  VAL  39          3HG2      VAL  39   7.748  13.089  -6.631
  286    H    TYR  40           H        TYR  40   4.945  11.742  -2.056
  287    HA   TYR  40           HA       TYR  40   2.022  11.716  -2.490
  288   1HB   TYR  40          1HB       TYR  40   2.570  10.000  -1.003
  289   2HB   TYR  40          2HB       TYR  40   3.913  10.856  -0.311
  290    HD1  TYR  40           1HD      TYR  40   3.758  11.696   1.800
  291    HD2  TYR  40           2HD      TYR  40   0.133  11.167  -0.488
  292    HE1  TYR  40           1HE      TYR  40   2.418  12.110   3.834
  293    HE2  TYR  40           2HE      TYR  40  -1.191  11.766   1.522
  294    HH   TYR  40           HH       TYR  40  -0.972  12.706   3.721
  295    H    GLY  41           H        GLY  41   0.931  13.425  -0.972
  296   1HA   GLY  41          1HA       GLY  41   2.443  15.920  -1.301
  297   2HA   GLY  41          2HA       GLY  41   0.712  15.747  -1.323
  298    H    GLY  42           H        GLY  42   1.925  13.931   1.259
  299   1HA   GLY  42          1HA       GLY  42   2.416  14.274   3.450
  300   2HA   GLY  42          2HA       GLY  42   2.567  16.002   3.172
  301    H    CYS  43           H        CYS  43  -0.166  16.254   2.131
  302    HA   CYS  43           HA       CYS  43  -1.734  16.199   4.603
  303   1HB   CYS  43          1HB       CYS  43  -3.204  17.692   3.489
  304   2HB   CYS  43          2HB       CYS  43  -1.562  18.218   3.249
  305    H    GLU  44           H        GLU  44  -4.267  15.825   3.720
  306    HA   GLU  44           HA       GLU  44  -4.945  13.336   4.215
  307   1HB   GLU  44          1HB       GLU  44  -6.316  14.854   1.985
  308   2HB   GLU  44          2HB       GLU  44  -6.978  13.558   2.974
  309   1HG   GLU  44          1HG       GLU  44  -7.871  15.419   3.974
  310   2HG   GLU  44          2HG       GLU  44  -6.500  15.077   5.015
  311    H    GLY  45           H        GLY  45  -4.946  11.259   3.352
  312   1HA   GLY  45          1HA       GLY  45  -4.835  10.747   0.522
  313   2HA   GLY  45          2HA       GLY  45  -3.354  10.289   1.396
  314    H    ASN  46           H        ASN  46  -4.715   8.240   0.293
  315    HA   ASN  46           HA       ASN  46  -6.653   7.155   2.248
  316   1HB   ASN  46          1HB       ASN  46  -5.666   5.942  -0.340
  317   2HB   ASN  46          2HB       ASN  46  -7.013   5.360   0.626
  318   1HD2  ASN  46          1HD2      ASN  46  -8.330   5.372  -1.362
  319   2HD2  ASN  46          2HD2      ASN  46  -9.014   6.939  -1.785
  320    H    GLY  47           H        GLY  47  -6.317   4.561   2.140
  321   1HA   GLY  47          1HA       GLY  47  -4.287   4.065   4.091
  322   2HA   GLY  47          2HA       GLY  47  -5.334   2.848   3.349
  323    H    ASN  48           H        ASN  48  -4.137   3.785   0.571
  324    HA   ASN  48           HA       ASN  48  -1.808   1.970   0.753
  325   1HB   ASN  48          1HB       ASN  48  -3.381   1.703  -1.184
  326   2HB   ASN  48          2HB       ASN  48  -2.878   3.303  -1.755
  327   1HD2  ASN  48          1HD2      ASN  48  -2.379   1.434  -3.555
  328   2HD2  ASN  48          2HD2      ASN  48  -0.745   0.907  -3.595
  329    H    ASN  49           H        ASN  49  -0.919   3.526   2.298
  330    HA   ASN  49           HA       ASN  49   1.002   5.240   0.884
  331   1HB   ASN  49          1HB       ASN  49  -0.947   6.727   1.491
  332   2HB   ASN  49          2HB       ASN  49  -0.750   6.277   3.169
  333   1HD2  ASN  49          1HD2      ASN  49   0.057   8.526   0.844
  334   2HD2  ASN  49          2HD2      ASN  49   1.302   9.363   1.716
  335    H    PHE  50           H        PHE  50   2.753   4.176   1.557
  336    HA   PHE  50           HA       PHE  50   2.962   3.275   4.356
  337   1HB   PHE  50          1HB       PHE  50   4.216   2.113   1.865
  338   2HB   PHE  50          2HB       PHE  50   4.573   1.560   3.427
  339    HD1  PHE  50           1HD      PHE  50   2.048   1.479   0.782
  340    HD2  PHE  50           2HD      PHE  50   2.666   0.777   4.993
  341    HE1  PHE  50           1HE      PHE  50  -0.185   0.443   0.953
  342    HE2  PHE  50           2HE      PHE  50   0.399  -0.194   5.164
  343    HZ   PHE  50           HZ       PHE  50  -1.064  -0.293   3.163
  344    H    HIS  51           H        HIS  51   4.962   3.281   5.260
  345    HA   HIS  51           HA       HIS  51   6.261   5.911   4.773
  346   1HB   HIS  51          1HB       HIS  51   6.175   4.121   7.229
  347   2HB   HIS  51          2HB       HIS  51   6.728   5.772   7.109
  348    HD1  HIS  51           1HD      HIS  51   4.449   7.398   5.908
  349    HD2  HIS  51           2HD      HIS  51   3.694   3.609   7.579
  350    HE1  HIS  51           1HE      HIS  51   1.906   6.989   5.723
  351    HE2  HIS  51           2HE      HIS  51   1.459   4.719   6.758
  352    H    SER  52           H        SER  52   6.762   2.685   4.309
  353    HA   SER  52           HA       SER  52   9.674   2.981   3.914
  354   1HB   SER  52          1HB       SER  52   9.929   0.901   5.499
  355   2HB   SER  52          2HB       SER  52   9.779   2.504   6.229
  356    HG   SER  52           HG       SER  52   8.289   0.616   7.001
  357    H    ARG  53           H        ARG  53  10.594   0.901   3.184
  358    HA   ARG  53           HA       ARG  53   9.130  -0.347   1.025
  359   1HB   ARG  53          1HB       ARG  53  11.561  -0.078   1.032
  360   2HB   ARG  53          2HB       ARG  53  11.688  -1.117   2.447
  361   1HG   ARG  53          1HG       ARG  53  12.231  -2.359   0.520
  362   2HG   ARG  53          2HG       ARG  53  10.709  -3.015   1.121
  363   1HD   ARG  53          1HD       ARG  53   9.523  -1.714  -0.632
  364   2HD   ARG  53          2HD       ARG  53  11.004  -0.989  -1.129
  365    HE   ARG  53           HE       ARG  53  11.630  -3.608  -1.414
  366   1HH1  ARG  53          2HH2      ARG  53   8.499  -2.490  -2.249
  367   2HH1  ARG  53          1HH2      ARG  53   8.581  -2.689  -3.961
  368   1HH2  ARG  53          2HH1      ARG  53  11.557  -4.610  -3.522
  369   2HH2  ARG  53          1HH1      ARG  53  10.217  -4.307  -4.560
  370    H    GLU  54           H        GLU  54  10.282  -1.548   4.162
  371    HA   GLU  54           HA       GLU  54   9.188  -3.978   4.564
  372   1HB   GLU  54          1HB       GLU  54  10.639  -3.014   6.071
  373   2HB   GLU  54          2HB       GLU  54   9.862  -1.495   6.116
  374   1HG   GLU  54          1HG       GLU  54   8.132  -3.481   7.401
  375   2HG   GLU  54          2HG       GLU  54   9.777  -3.579   8.038
  376    H    SER  55           H        SER  55   7.517  -1.208   5.939
  377    HA   SER  55           HA       SER  55   5.123  -2.487   6.303
  378   1HB   SER  55          1HB       SER  55   3.982  -0.296   6.470
  379   2HB   SER  55          2HB       SER  55   5.492  -0.393   7.372
  380    HG   SER  55           HG       SER  55   6.487   0.895   5.960
  381    H    CYS  56           H        CYS  56   6.130  -1.134   3.229
  382    HA   CYS  56           HA       CYS  56   3.456  -1.239   2.060
  383   1HB   CYS  56          1HB       CYS  56   5.583   0.203   1.418
  384   2HB   CYS  56          2HB       CYS  56   6.088  -1.225   0.550
  385    H    GLU  57           H        GLU  57   6.448  -3.202   1.978
  386    HA   GLU  57           HA       GLU  57   5.490  -5.196   0.211
  387   1HB   GLU  57          1HB       GLU  57   7.507  -5.593   2.379
  388   2HB   GLU  57          2HB       GLU  57   7.097  -6.723   1.092
  389   1HG   GLU  57          1HG       GLU  57   8.711  -4.289   1.014
  390   2HG   GLU  57          2HG       GLU  57   8.833  -5.773   0.065
  391    H    ASP  58           H        ASP  58   5.067  -4.830   3.778
  392    HA   ASP  58           HA       ASP  58   3.614  -7.297   4.169
  393   1HB   ASP  58          1HB       ASP  58   4.479  -6.100   6.091
  394   2HB   ASP  58          2HB       ASP  58   3.492  -4.683   5.712
  395    H    ALA  59           H        ALA  59   2.584  -3.945   3.341
  396    HA   ALA  59           HA       ALA  59  -0.173  -4.404   3.229
  397   1HB   ALA  59          1HB       ALA  59   1.114  -2.214   2.846
  398   2HB   ALA  59          2HB       ALA  59   1.181  -2.686   1.134
  399   3HB   ALA  59          3HB       ALA  59  -0.387  -2.483   1.916
  400    H    CYS  60           H        CYS  60   2.302  -5.198   0.754
  401    HA   CYS  60           HA       CYS  60   1.578  -7.629   0.030
  402   1HB   CYS  60          1HB       CYS  60   0.298  -5.544  -1.652
  403   2HB   CYS  60          2HB       CYS  60   0.897  -6.945  -2.382
  404    HA   PRO  61           HA       PRO  61   1.880  -8.644  -2.122
  405   1HB   PRO  61          1HB       PRO  61   3.623 -10.274  -3.432
  406   2HB   PRO  61          2HB       PRO  61   3.014  -8.756  -4.157
  407   1HG   PRO  61          1HG       PRO  61   5.679  -9.239  -2.791
  408   2HG   PRO  61          2HG       PRO  61   5.345  -8.347  -4.305
  409   1HD   PRO  61          1HD       PRO  61   5.626  -7.180  -1.766
  410   2HD   PRO  61          2HD       PRO  61   4.763  -6.423  -3.126
  411    H    VAL  62           H        VAL  62   1.314 -10.170  -0.652
  412    HA   VAL  62           HA       VAL  62   3.275 -11.904   0.618
  413    HB   VAL  62           HB       VAL  62   1.070 -10.729   2.337
  414   1HG1  VAL  62          1HG1      VAL  62   2.206 -12.777   3.210
  415   2HG1  VAL  62          2HG1      VAL  62   3.774 -11.966   3.037
  416   3HG1  VAL  62          3HG1      VAL  62   2.577 -11.384   4.203
  417   1HG2  VAL  62          1HG2      VAL  62   3.867  -9.544   2.140
  418   2HG2  VAL  62          2HG2      VAL  62   2.326  -8.725   1.806
  419   3HG2  VAL  62          3HG2      VAL  62   2.703  -9.217   3.442
  420    H    VAL  63           H        VAL  63   1.328 -13.451   1.976
  421    HA   VAL  63           HA       VAL  63  -0.064 -14.775  -0.114
  422    HB   VAL  63           HB       VAL  63  -1.040 -14.793   2.741
  423   1HG1  VAL  63          1HG1      VAL  63  -0.824 -16.988   0.637
  424   2HG1  VAL  63          2HG1      VAL  63  -1.506 -17.167   2.269
  425   3HG1  VAL  63          3HG1      VAL  63  -2.307 -16.117   1.103
  426   1HG2  VAL  63          1HG2      VAL  63   1.452 -16.248   1.738
  427   2HG2  VAL  63          2HG2      VAL  63   1.364 -15.063   3.065
  428   3HG2  VAL  63          3HG2      VAL  63   0.599 -16.633   3.250
  429    H    ASP  64           H        ASP  64  -2.255 -14.603  -0.763
  430    HA   ASP  64           HA       ASP  64  -3.108 -11.915  -0.967
  431   1HB   ASP  64          1HB       ASP  64  -3.803 -13.570  -2.674
  432   2HB   ASP  64          2HB       ASP  64  -4.891 -14.329  -1.492
  433    H    HIS  65           H        HIS  65  -4.150 -10.699   0.371
  434    HA   HIS  65           HA       HIS  65  -5.043 -11.444   2.976
  435   1HB   HIS  65          1HB       HIS  65  -5.644  -9.001   1.231
  436   2HB   HIS  65          2HB       HIS  65  -5.837  -9.070   2.956
  437    HD1  HIS  65           1HD      HIS  65  -2.491 -10.640   2.339
  438    HD2  HIS  65           2HD      HIS  65  -4.160  -6.740   2.066
  439    HE1  HIS  65           1HE      HIS  65  -0.545  -8.941   2.573
  440    HE2  HIS  65           2HE      HIS  65  -1.554  -6.644   2.251
  441    H    HIS  66           H        HIS  66  -6.705 -12.978   2.895
  442    HA   HIS  66           HA       HIS  66  -8.190 -14.047   1.129
  443   1HB   HIS  66          1HB       HIS  66  -9.733 -14.783   2.896
  444   2HB   HIS  66          2HB       HIS  66  -8.057 -14.782   3.383
  445    HD1  HIS  66           1HD      HIS  66 -10.255 -11.525   3.568
  446    HD2  HIS  66           2HD      HIS  66  -8.503 -14.559   5.991
  447    HE1  HIS  66           1HE      HIS  66 -10.474 -10.770   5.991
  448    HE2  HIS  66           2HE      HIS  66  -9.413 -12.542   7.468
  449    H    HIS  67           H        HIS  67  -8.602 -11.701  -0.105
  450    HA   HIS  67           HA       HIS  67 -10.852 -10.258   0.229
  451   1HB   HIS  67          1HB       HIS  67  -9.712 -11.177  -2.444
  452   2HB   HIS  67          2HB       HIS  67 -10.744  -9.771  -2.201
  453    HD1  HIS  67           1HD      HIS  67  -7.092 -10.700  -2.299
  454    HD2  HIS  67           2HD      HIS  67  -9.482  -7.945  -0.143
  455    HE1  HIS  67           1HE      HIS  67  -5.596  -8.840  -1.648
  456    HE2  HIS  67           2HE      HIS  67  -6.955  -7.211  -0.230
  457    H    HIS  68           H        HIS  68 -12.957 -10.458  -0.050
  458    HA   HIS  68           HA       HIS  68 -14.391 -12.753  -0.717
  459   1HB   HIS  68          1HB       HIS  68 -16.350 -11.154  -1.014
  460   2HB   HIS  68          2HB       HIS  68 -15.479 -11.093   0.514
  461    HD1  HIS  68           1HD      HIS  68 -15.037  -9.151  -2.807
  462    HD2  HIS  68           2HD      HIS  68 -14.979  -8.737   1.375
  463    HE1  HIS  68           1HE      HIS  68 -14.302  -6.673  -2.289
  464    HE2  HIS  68           2HE      HIS  68 -14.231  -6.511   0.302
  465    H    HIS  69           H        HIS  69 -13.135 -13.472  -2.593
  466    HA   HIS  69           HA       HIS  69 -13.685 -12.309  -5.231
  467   1HB   HIS  69          1HB       HIS  69 -12.553 -14.424  -6.023
  468   2HB   HIS  69          2HB       HIS  69 -11.580 -13.481  -4.906
  469    HD1  HIS  69           1HD      HIS  69 -13.813 -16.690  -4.826
  470    HD2  HIS  69           2HD      HIS  69 -10.635 -14.732  -2.791
  471    HE1  HIS  69           1HE      HIS  69 -13.017 -18.286  -2.999
  472    HE2  HIS  69           2HE      HIS  69 -11.060 -17.093  -1.764
  473    H    HIS  70           H        HIS  70 -14.697 -14.044  -6.885
  474    HA   HIS  70           HA       HIS  70 -17.382 -14.660  -5.868
  475   1HB   HIS  70          1HB       HIS  70 -16.940 -13.927  -8.274
  476   2HB   HIS  70          2HB       HIS  70 -16.093 -15.461  -8.520
  477    HD1  HIS  70           1HD      HIS  70 -18.390 -17.109  -6.795
  478    HD2  HIS  70           2HD      HIS  70 -18.791 -14.592 -10.161
  479    HE1  HIS  70           1HE      HIS  70 -20.606 -17.801  -7.972
  480    HE2  HIS  70           2HE      HIS  70 -20.827 -16.251 -10.041
  Start of MODEL    2
    1   1H    GLU   1          1H        GLU   1 -13.390   4.238   1.169
    2   2H    GLU   1          2H        GLU   1 -11.749   4.508   1.354
    3   3H    GLU   1          H         GLU   1 -12.851   5.073   2.468
    4    HA   GLU   1           HA       GLU   1 -12.306   2.260   1.912
    5   1HB   GLU   1          1HB       GLU   1 -11.323   4.158   4.055
    6   2HB   GLU   1          2HB       GLU   1 -11.561   2.448   4.415
    7   1HG   GLU   1          1HG       GLU   1  -9.323   2.549   3.781
    8   2HG   GLU   1          2HG       GLU   1 -10.154   1.898   2.364
    9    H    ALA   2           H        ALA   2 -13.260   0.948   3.827
   10    HA   ALA   2           HA       ALA   2 -15.631   1.922   5.119
   11   1HB   ALA   2          1HB       ALA   2 -16.596   1.098   2.972
   12   2HB   ALA   2          2HB       ALA   2 -15.724  -0.444   3.170
   13   3HB   ALA   2          3HB       ALA   2 -17.007   0.015   4.315
   14    H    GLU   3           H        GLU   3 -16.078   0.418   6.806
   15    HA   GLU   3           HA       GLU   3 -14.407  -0.277   8.500
   16   1HB   GLU   3          1HB       GLU   3 -16.569  -2.364   8.112
   17   2HB   GLU   3          2HB       GLU   3 -15.872  -1.741   9.600
   18   1HG   GLU   3          1HG       GLU   3 -17.947  -0.574   7.771
   19   2HG   GLU   3          2HG       GLU   3 -18.001  -0.785   9.516
   20    H    ALA   4           H        ALA   4 -15.352  -3.476   7.384
   21    HA   ALA   4           HA       ALA   4 -12.456  -4.175   7.066
   22   1HB   ALA   4          1HB       ALA   4 -13.393  -5.132   9.118
   23   2HB   ALA   4          2HB       ALA   4 -14.675  -5.935   8.176
   24   3HB   ALA   4          3HB       ALA   4 -12.974  -6.393   7.944
   25    H    GLU   5           H        GLU   5 -15.712  -4.624   5.807
   26    HA   GLU   5           HA       GLU   5 -15.398  -6.775   4.134
   27   1HB   GLU   5          1HB       GLU   5 -17.197  -4.338   4.003
   28   2HB   GLU   5          2HB       GLU   5 -17.315  -5.626   2.807
   29   1HG   GLU   5          1HG       GLU   5 -17.618  -5.977   5.823
   30   2HG   GLU   5          2HG       GLU   5 -18.933  -5.949   4.645
   31    H    PHE   6           H        PHE   6 -15.280  -3.405   2.750
   32    HA   PHE   6           HA       PHE   6 -13.390  -4.549   0.737
   33   1HB   PHE   6          1HB       PHE   6 -15.674  -4.355  -0.206
   34   2HB   PHE   6          2HB       PHE   6 -15.639  -2.621   0.107
   35    HD1  PHE   6           1HD      PHE   6 -14.103  -5.404  -1.835
   36    HD2  PHE   6           2HD      PHE   6 -14.286  -1.126  -1.304
   37    HE1  PHE   6           1HE      PHE   6 -12.830  -5.083  -3.944
   38    HE2  PHE   6           2HE      PHE   6 -13.012  -0.815  -3.411
   39    HZ   PHE   6           HZ       PHE   6 -12.278  -2.789  -4.730
   40    H    THR   7           H        THR   7 -11.653  -3.789   1.790
   41    HA   THR   7           HA       THR   7 -10.689  -1.239   1.098
   42    HB   THR   7           HB       THR   7 -11.653  -1.619   3.930
   43    HG1  THR   7           1HG      THR   7 -12.691  -0.431   2.281
   44   1HG2  THR   7          1HG2      THR   7  -9.348  -1.203   4.430
   45   2HG2  THR   7          2HG2      THR   7  -9.212   0.032   3.166
   46   3HG2  THR   7          3HG2      THR   7 -10.207   0.318   4.623
   47    H    ASP   8           H        ASP   8  -8.845  -2.153   0.276
   48    HA   ASP   8           HA       ASP   8  -7.064  -3.453   2.174
   49   1HB   ASP   8          1HB       ASP   8  -8.351  -5.203   0.738
   50   2HB   ASP   8          2HB       ASP   8  -7.396  -4.605  -0.614
   51    H    ALA   9           H        ALA   9  -5.083  -2.504   1.870
   52    HA   ALA   9           HA       ALA   9  -4.862  -0.214   0.149
   53   1HB   ALA   9          1HB       ALA   9  -3.603  -0.323   2.224
   54   2HB   ALA   9          2HB       ALA   9  -2.779  -1.811   1.690
   55   3HB   ALA   9          3HB       ALA   9  -2.472  -0.275   0.859
   56    H    CYS  10           H        CYS  10  -4.020  -3.669  -0.211
   57    HA   CYS  10           HA       CYS  10  -2.312  -3.419  -2.472
   58   1HB   CYS  10          1HB       CYS  10  -2.586  -5.340  -0.902
   59   2HB   CYS  10          2HB       CYS  10  -4.148  -5.682  -1.617
   60    H    VAL  11           H        VAL  11  -5.813  -3.123  -2.136
   61    HA   VAL  11           HA       VAL  11  -6.262  -3.457  -5.050
   62    HB   VAL  11           HB       VAL  11  -8.160  -3.360  -2.668
   63   1HG1  VAL  11          1HG1      VAL  11  -9.893  -4.235  -4.244
   64   2HG1  VAL  11          2HG1      VAL  11  -9.413  -2.580  -4.599
   65   3HG1  VAL  11          3HG1      VAL  11  -8.784  -3.906  -5.599
   66   1HG2  VAL  11          1HG2      VAL  11  -8.511  -5.769  -3.145
   67   2HG2  VAL  11          2HG2      VAL  11  -7.295  -5.692  -4.440
   68   3HG2  VAL  11          3HG2      VAL  11  -6.823  -5.458  -2.750
   69    H    LEU  12           H        LEU  12  -5.383  -0.870  -2.986
   70    HA   LEU  12           HA       LEU  12  -7.283   1.009  -4.273
   71   1HB   LEU  12          1HB       LEU  12  -7.857   1.098  -2.093
   72   2HB   LEU  12          2HB       LEU  12  -6.246   0.671  -1.516
   73    HG   LEU  12           HG       LEU  12  -5.818   3.208  -2.451
   74   1HD1  LEU  12          1HD1      LEU  12  -7.652   4.648  -2.095
   75   2HD1  LEU  12          2HD1      LEU  12  -8.390   3.309  -2.995
   76   3HD1  LEU  12          3HD1      LEU  12  -8.607   3.399  -1.253
   77   1HD2  LEU  12          1HD2      LEU  12  -5.456   2.101  -0.162
   78   2HD2  LEU  12          2HD2      LEU  12  -5.736   3.830  -0.228
   79   3HD2  LEU  12          3HD2      LEU  12  -7.047   2.728   0.277
   80    HA   PRO  13           HA       PRO  13  -3.607   2.488  -6.199
   81   1HB   PRO  13          1HB       PRO  13  -4.355   5.075  -6.926
   82   2HB   PRO  13          2HB       PRO  13  -4.771   3.581  -7.790
   83   1HG   PRO  13          1HG       PRO  13  -6.456   5.266  -5.971
   84   2HG   PRO  13          2HG       PRO  13  -6.979   4.230  -7.331
   85   1HD   PRO  13          1HD       PRO  13  -7.071   3.640  -4.565
   86   2HD   PRO  13          2HD       PRO  13  -7.333   2.449  -5.854
   87    H    ALA  14           H        ALA  14  -2.045   4.249  -6.157
   88    HA   ALA  14           HA       ALA  14  -1.271   4.965  -3.423
   89   1HB   ALA  14          1HB       ALA  14   0.360   4.372  -5.280
   90   2HB   ALA  14          2HB       ALA  14  -0.090   5.874  -6.104
   91   3HB   ALA  14          3HB       ALA  14   0.685   5.942  -4.509
   92    H    VAL  15           H        VAL  15  -2.368   6.673  -2.428
   93    HA   VAL  15           HA       VAL  15  -3.416   8.836  -4.174
   94    HB   VAL  15           HB       VAL  15  -3.895   8.455  -1.240
   95   1HG1  VAL  15          1HG1      VAL  15  -4.265  10.760  -1.890
   96   2HG1  VAL  15          2HG1      VAL  15  -5.251  10.248  -3.288
   97   3HG1  VAL  15          3HG1      VAL  15  -5.823   9.988  -1.629
   98   1HG2  VAL  15          1HG2      VAL  15  -6.226   7.734  -2.070
   99   2HG2  VAL  15          2HG2      VAL  15  -5.542   7.621  -3.682
  100   3HG2  VAL  15          3HG2      VAL  15  -4.943   6.561  -2.382
  101    H    GLN  16           H        GLN  16  -2.526  10.602  -4.297
  102    HA   GLN  16           HA       GLN  16   0.072  11.206  -2.995
  103   1HB   GLN  16          1HB       GLN  16  -1.301  12.669  -5.293
  104   2HB   GLN  16          2HB       GLN  16   0.375  12.837  -4.763
  105   1HG   GLN  16          1HG       GLN  16   0.734  10.399  -5.388
  106   2HG   GLN  16          2HG       GLN  16  -0.895  10.381  -6.065
  107   1HE2  GLN  16          1HE2      GLN  16   2.270  12.041  -6.319
  108   2HE2  GLN  16          2HE2      GLN  16   2.045  12.516  -8.016
  109    H    GLY  17           H        GLY  17  -3.235  12.331  -3.053
  110   1HA   GLY  17          1HA       GLY  17  -4.323  13.701  -1.619
  111   2HA   GLY  17          2HA       GLY  17  -2.796  14.273  -0.912
  112    HA   PRO  18           HA       PRO  18  -4.499  17.204  -4.218
  113   1HB   PRO  18          1HB       PRO  18  -5.657  19.209  -2.755
  114   2HB   PRO  18          2HB       PRO  18  -6.472  17.659  -3.108
  115   1HG   PRO  18          1HG       PRO  18  -4.940  18.413  -0.592
  116   2HG   PRO  18          2HG       PRO  18  -6.591  17.723  -0.722
  117   1HD   PRO  18          1HD       PRO  18  -4.424  16.141  -0.265
  118   2HD   PRO  18          2HD       PRO  18  -5.757  15.593  -1.306
  119    H    CYS  19           H        CYS  19  -2.054  17.500  -1.891
  120    HA   CYS  19           HA       CYS  19  -1.497  20.306  -2.061
  121   1HB   CYS  19          1HB       CYS  19   0.212  17.979  -1.130
  122   2HB   CYS  19          2HB       CYS  19   0.659  19.666  -0.942
  123    H    ARG  20           H        ARG  20   0.956  20.852  -2.495
  124    HA   ARG  20           HA       ARG  20   1.891  19.778  -5.072
  125   1HB   ARG  20          1HB       ARG  20   1.307  22.676  -4.466
  126   2HB   ARG  20          2HB       ARG  20   2.577  22.212  -5.583
  127   1HG   ARG  20          1HG       ARG  20   1.105  21.978  -7.225
  128   2HG   ARG  20          2HG       ARG  20   0.350  20.633  -6.401
  129   1HD   ARG  20          1HD       ARG  20  -0.379  23.558  -6.034
  130   2HD   ARG  20          2HD       ARG  20  -1.199  22.437  -7.122
  131    HE   ARG  20           HE       ARG  20  -1.742  21.047  -5.100
  132   1HH1  ARG  20          2HH2      ARG  20  -1.392  24.573  -4.810
  133   2HH1  ARG  20          1HH2      ARG  20  -2.562  24.735  -3.548
  134   1HH2  ARG  20          2HH1      ARG  20  -3.333  21.267  -3.520
  135   2HH2  ARG  20          1HH1      ARG  20  -3.695  22.771  -2.748
  136    H    GLY  21           H        GLY  21   2.552  19.785  -2.126
  137   1HA   GLY  21          1HA       GLY  21   5.444  20.560  -2.170
  138   2HA   GLY  21          2HA       GLY  21   4.507  20.113  -0.699
  139    H    TRP  22           H        TRP  22   6.896  18.514  -1.738
  140    HA   TRP  22           HA       TRP  22   5.476  16.075  -2.603
  141   1HB   TRP  22          1HB       TRP  22   8.081  17.147  -3.686
  142   2HB   TRP  22          2HB       TRP  22   7.313  15.645  -4.148
  143    HD1  TRP  22           HD       TRP  22   7.907  18.714  -5.625
  144    HE1  TRP  22           1HE      TRP  22   6.084  19.649  -7.147
  145    HE3  TRP  22           3HE      TRP  22   3.948  15.807  -4.104
  146    HZ2  TRP  22           2HZ      TRP  22   3.272  19.202  -7.667
  147    HZ3  TRP  22           3HZ      TRP  22   1.730  16.104  -5.110
  148    HH2  TRP  22           HH       TRP  22   1.369  17.779  -6.903
  149    H    GLU  23           H        GLU  23   5.569  14.796  -1.100
  150    HA   GLU  23           HA       GLU  23   7.845  14.425   0.774
  151   1HB   GLU  23          1HB       GLU  23   5.902  15.393   1.842
  152   2HB   GLU  23          2HB       GLU  23   4.811  14.294   1.007
  153   1HG   GLU  23          1HG       GLU  23   4.858  13.593   3.225
  154   2HG   GLU  23          2HG       GLU  23   5.724  12.386   2.291
  155    HA   PRO  24           HA       PRO  24   7.712  10.436  -1.548
  156   1HB   PRO  24          1HB       PRO  24   9.823   9.173  -0.389
  157   2HB   PRO  24          2HB       PRO  24  10.015  10.513  -1.561
  158   1HG   PRO  24          1HG       PRO  24  10.112  10.661   1.468
  159   2HG   PRO  24          2HG       PRO  24  11.260  11.369   0.287
  160   1HD   PRO  24          1HD       PRO  24   9.248  12.807   1.418
  161   2HD   PRO  24          2HD       PRO  24   9.751  13.102  -0.271
  162    H    ARG  25           H        ARG  25   6.578   8.717  -1.245
  163    HA   ARG  25           HA       ARG  25   6.372   7.389   1.398
  164   1HB   ARG  25          1HB       ARG  25   4.038   8.294  -0.349
  165   2HB   ARG  25          2HB       ARG  25   3.856   7.025   0.863
  166   1HG   ARG  25          1HG       ARG  25   4.779   9.852   1.475
  167   2HG   ARG  25          2HG       ARG  25   3.135   9.234   1.651
  168   1HD   ARG  25          1HD       ARG  25   3.870   7.581   3.289
  169   2HD   ARG  25          2HD       ARG  25   5.538   8.142   3.156
  170    HE   ARG  25           HE       ARG  25   3.252   9.543   4.390
  171   1HH1  ARG  25          2HH2      ARG  25   6.703   9.902   3.289
  172   2HH1  ARG  25          1HH2      ARG  25   6.924  11.240   4.372
  173   1HH2  ARG  25          2HH1      ARG  25   3.791  11.457   5.761
  174   2HH2  ARG  25          1HH1      ARG  25   5.391  12.124   5.510
  175    H    TRP  26           H        TRP  26   4.996   5.245   0.894
  176    HA   TRP  26           HA       TRP  26   6.143   3.963  -1.545
  177   1HB   TRP  26          1HB       TRP  26   5.876   3.034   1.344
  178   2HB   TRP  26          2HB       TRP  26   6.092   1.913   0.009
  179    HD1  TRP  26           HD       TRP  26   7.957   4.672   1.935
  180    HE1  TRP  26           1HE      TRP  26  10.474   4.386   1.577
  181    HE3  TRP  26           3HE      TRP  26   7.832   0.766  -1.308
  182    HZ2  TRP  26           2HZ      TRP  26  12.225   2.738  -0.113
  183    HZ3  TRP  26           3HZ      TRP  26   9.868   0.116  -2.586
  184    HH2  TRP  26           HH       TRP  26  12.069   0.951  -1.870
  185    H    ALA  27           H        ALA  27   4.568   2.710  -2.729
  186    HA   ALA  27           HA       ALA  27   2.066   2.052  -1.351
  187   1HB   ALA  27          1HB       ALA  27   2.067   3.740  -3.879
  188   2HB   ALA  27          2HB       ALA  27   0.683   2.792  -3.328
  189   3HB   ALA  27          3HB       ALA  27   1.262   4.096  -2.312
  190    H    TYR  28           H        TYR  28   0.999   0.349  -2.264
  191    HA   TYR  28           HA       TYR  28   2.622  -1.424  -3.923
  192   1HB   TYR  28          1HB       TYR  28   1.247  -2.391  -2.125
  193   2HB   TYR  28          2HB       TYR  28  -0.201  -1.660  -2.796
  194    HD1  TYR  28           1HD      TYR  28  -1.440  -2.697  -4.527
  195    HD2  TYR  28           2HD      TYR  28   2.480  -4.203  -3.530
  196    HE1  TYR  28           1HE      TYR  28  -1.841  -4.663  -5.941
  197    HE2  TYR  28           2HE      TYR  28   2.090  -6.174  -5.004
  198    HH   TYR  28           HH       TYR  28   0.396  -7.399  -6.272
  199    H    SER  29           H        SER  29   2.293  -1.904  -6.064
  200    HA   SER  29           HA       SER  29   0.152  -0.447  -7.516
  201   1HB   SER  29          1HB       SER  29   3.086  -0.819  -8.049
  202   2HB   SER  29          2HB       SER  29   2.043  -0.522  -9.397
  203    HG   SER  29           HG       SER  29   1.617   0.976  -7.075
  204    HA   PRO  30           HA       PRO  30  -0.633  -4.855  -8.356
  205   1HB   PRO  30          1HB       PRO  30  -3.028  -4.515  -9.712
  206   2HB   PRO  30          2HB       PRO  30  -2.881  -4.646  -7.939
  207   1HG   PRO  30          1HG       PRO  30  -3.130  -2.155  -9.627
  208   2HG   PRO  30          2HG       PRO  30  -3.933  -2.532  -8.070
  209   1HD   PRO  30          1HD       PRO  30  -1.742  -0.931  -8.228
  210   2HD   PRO  30          2HD       PRO  30  -1.988  -2.033  -6.841
  211    H    LEU  31           H        LEU  31  -0.837  -2.097 -10.600
  212    HA   LEU  31           HA       LEU  31  -0.445  -3.516 -13.032
  213   1HB   LEU  31          1HB       LEU  31  -0.016  -0.672 -12.164
  214   2HB   LEU  31          2HB       LEU  31   0.463  -1.204 -13.772
  215    HG   LEU  31           HG       LEU  31  -2.341  -1.708 -12.702
  216   1HD1  LEU  31          1HD1      LEU  31  -1.892   0.693 -12.664
  217   2HD1  LEU  31          2HD1      LEU  31  -1.328   0.627 -14.356
  218   3HD1  LEU  31          3HD1      LEU  31  -3.032   0.277 -13.960
  219   1HD2  LEU  31          1HD2      LEU  31  -1.742  -3.086 -14.677
  220   2HD2  LEU  31          2HD2      LEU  31  -2.918  -1.854 -15.121
  221   3HD2  LEU  31          3HD2      LEU  31  -1.207  -1.635 -15.544
  222    H    LEU  32           H        LEU  32   1.774  -3.024 -10.428
  223    HA   LEU  32           HA       LEU  32   4.073  -3.855 -12.131
  224   1HB   LEU  32          1HB       LEU  32   3.796  -2.081  -9.701
  225   2HB   LEU  32          2HB       LEU  32   5.327  -2.814 -10.055
  226    HG   LEU  32           HG       LEU  32   3.865  -1.102 -12.108
  227   1HD1  LEU  32          1HD1      LEU  32   5.991  -0.259 -10.101
  228   2HD1  LEU  32          2HD1      LEU  32   5.404   0.725 -11.462
  229   3HD1  LEU  32          3HD1      LEU  32   4.291   0.285 -10.163
  230   1HD2  LEU  32          1HD2      LEU  32   6.122  -0.896 -13.126
  231   2HD2  LEU  32          2HD2      LEU  32   6.784  -1.983 -11.883
  232   3HD2  LEU  32          3HD2      LEU  32   5.600  -2.578 -13.062
  233    H    GLN  33           H        GLN  33   1.774  -4.829 -10.068
  234    HA   GLN  33           HA       GLN  33   1.288  -6.235  -8.472
  235   1HB   GLN  33          1HB       GLN  33   1.872  -7.604 -10.575
  236   2HB   GLN  33          2HB       GLN  33   3.341  -8.065  -9.730
  237   1HG   GLN  33          1HG       GLN  33   0.470  -8.678  -8.974
  238   2HG   GLN  33          2HG       GLN  33   1.656  -9.809  -9.588
  239   1HE2  GLN  33          1HE2      GLN  33   3.429 -10.503  -8.065
  240   2HE2  GLN  33          2HE2      GLN  33   3.088 -10.384  -6.347
  241    H    GLN  34           H        GLN  34   3.270  -4.231  -7.661
  242    HA   GLN  34           HA       GLN  34   4.399  -5.560  -5.356
  243   1HB   GLN  34          1HB       GLN  34   5.920  -6.245  -7.446
  244   2HB   GLN  34          2HB       GLN  34   6.493  -4.593  -7.320
  245   1HG   GLN  34          1HG       GLN  34   6.705  -6.603  -5.068
  246   2HG   GLN  34          2HG       GLN  34   7.902  -6.433  -6.331
  247   1HE2  GLN  34          1HE2      GLN  34   7.236  -5.451  -3.131
  248   2HE2  GLN  34          2HE2      GLN  34   8.130  -4.005  -3.169
  249    H    CYS  35           H        CYS  35   5.905  -3.849  -4.216
  250    HA   CYS  35           HA       CYS  35   4.534  -1.238  -4.356
  251   1HB   CYS  35          1HB       CYS  35   6.367  -2.551  -2.348
  252   2HB   CYS  35          2HB       CYS  35   6.039  -0.840  -2.288
  253    H    HIS  36           H        HIS  36   5.495   0.633  -4.374
  254    HA   HIS  36           HA       HIS  36   8.417   0.836  -4.793
  255   1HB   HIS  36          1HB       HIS  36   8.348   2.019  -6.912
  256   2HB   HIS  36          2HB       HIS  36   7.593   0.448  -7.087
  257    HD1  HIS  36           1HD      HIS  36   6.661   4.198  -6.925
  258    HD2  HIS  36           2HD      HIS  36   4.886   0.419  -7.751
  259    HE1  HIS  36           1HE      HIS  36   4.335   4.644  -7.896
  260    HE2  HIS  36           2HE      HIS  36   3.295   2.296  -8.350
  261    HA   PRO  37           HA       PRO  37   7.853   4.717  -2.710
  262   1HB   PRO  37          1HB       PRO  37   9.894   5.947  -4.554
  263   2HB   PRO  37          2HB       PRO  37   9.863   5.933  -2.764
  264   1HG   PRO  37          1HG       PRO  37  11.552   4.309  -4.159
  265   2HG   PRO  37          2HG       PRO  37  10.709   3.736  -2.687
  266   1HD   PRO  37          1HD       PRO  37   9.975   3.229  -5.578
  267   2HD   PRO  37          2HD       PRO  37  10.019   2.088  -4.208
  268    H    PHE  38           H        PHE  38   6.934   7.039  -3.179
  269    HA   PHE  38           HA       PHE  38   6.553   7.739  -5.931
  270   1HB   PHE  38          1HB       PHE  38   4.230   7.614  -6.125
  271   2HB   PHE  38          2HB       PHE  38   4.680   6.040  -5.518
  272    HD1  PHE  38           1HD      PHE  38   4.402   5.636  -2.919
  273    HD2  PHE  38           2HD      PHE  38   2.559   8.892  -5.069
  274    HE1  PHE  38           1HE      PHE  38   2.653   5.854  -1.152
  275    HE2  PHE  38           2HE      PHE  38   0.851   9.085  -3.308
  276    HZ   PHE  38           HZ       PHE  38   0.882   7.559  -1.347
  277    H    VAL  39           H        VAL  39   5.241   9.819  -6.004
  278    HA   VAL  39           HA       VAL  39   6.208  11.575  -3.851
  279    HB   VAL  39           HB       VAL  39   5.198  11.989  -6.702
  280   1HG1  VAL  39          1HG1      VAL  39   5.820  14.426  -6.315
  281   2HG1  VAL  39          2HG1      VAL  39   4.346  13.877  -5.516
  282   3HG1  VAL  39          3HG1      VAL  39   5.835  14.055  -4.572
  283   1HG2  VAL  39          1HG2      VAL  39   7.542  11.199  -6.485
  284   2HG2  VAL  39          2HG2      VAL  39   7.481  12.865  -7.068
  285   3HG2  VAL  39          3HG2      VAL  39   7.893  12.539  -5.373
  286    H    TYR  40           H        TYR  40   4.865  11.978  -2.246
  287    HA   TYR  40           HA       TYR  40   1.945  12.123  -2.622
  288   1HB   TYR  40          1HB       TYR  40   2.292  10.239  -1.298
  289   2HB   TYR  40          2HB       TYR  40   3.729  10.865  -0.550
  290    HD1  TYR  40           1HD      TYR  40   3.711  11.871   1.514
  291    HD2  TYR  40           2HD      TYR  40  -0.032  11.281  -0.540
  292    HE1  TYR  40           1HE      TYR  40   2.499  12.267   3.632
  293    HE2  TYR  40           2HE      TYR  40  -1.249  11.841   1.547
  294    HH   TYR  40           HH       TYR  40  -0.936  12.777   3.740
  295    H    GLY  41           H        GLY  41   1.095  13.739  -0.838
  296   1HA   GLY  41          1HA       GLY  41   2.915  16.104  -0.868
  297   2HA   GLY  41          2HA       GLY  41   1.198  16.134  -1.183
  298    H    GLY  42           H        GLY  42   1.851  14.101   1.513
  299   1HA   GLY  42          1HA       GLY  42   2.093  14.455   3.775
  300   2HA   GLY  42          2HA       GLY  42   2.258  16.192   3.509
  301    H    CYS  43           H        CYS  43  -0.293  16.388   2.065
  302    HA   CYS  43           HA       CYS  43  -2.211  16.513   4.246
  303   1HB   CYS  43          1HB       CYS  43  -3.712  17.308   2.317
  304   2HB   CYS  43          2HB       CYS  43  -2.351  18.292   2.774
  305    H    GLU  44           H        GLU  44  -4.519  15.806   3.257
  306    HA   GLU  44           HA       GLU  44  -5.213  13.377   3.940
  307   1HB   GLU  44          1HB       GLU  44  -6.312  14.631   1.411
  308   2HB   GLU  44          2HB       GLU  44  -7.085  13.430   2.441
  309   1HG   GLU  44          1HG       GLU  44  -8.090  15.382   3.125
  310   2HG   GLU  44          2HG       GLU  44  -6.870  15.149   4.361
  311    H    GLY  45           H        GLY  45  -5.023  11.212   3.319
  312   1HA   GLY  45          1HA       GLY  45  -4.675  10.455   0.576
  313   2HA   GLY  45          2HA       GLY  45  -3.249  10.117   1.593
  314    H    ASN  46           H        ASN  46  -4.793   8.094   0.434
  315    HA   ASN  46           HA       ASN  46  -6.631   7.043   2.491
  316   1HB   ASN  46          1HB       ASN  46  -5.898   6.007  -0.251
  317   2HB   ASN  46          2HB       ASN  46  -7.060   5.296   0.751
  318   1HD2  ASN  46          1HD2      ASN  46  -8.923   5.414  -0.272
  319   2HD2  ASN  46          2HD2      ASN  46  -9.643   6.953  -0.762
  320    H    GLY  47           H        GLY  47  -6.401   4.498   2.204
  321   1HA   GLY  47          1HA       GLY  47  -4.475   3.754   4.153
  322   2HA   GLY  47          2HA       GLY  47  -5.450   2.623   3.213
  323    H    ASN  48           H        ASN  48  -4.181   3.524   0.616
  324    HA   ASN  48           HA       ASN  48  -1.752   1.849   0.854
  325   1HB   ASN  48          1HB       ASN  48  -3.345   1.391  -1.011
  326   2HB   ASN  48          2HB       ASN  48  -2.970   2.984  -1.676
  327   1HD2  ASN  48          1HD2      ASN  48  -2.416   1.280  -3.443
  328   2HD2  ASN  48          2HD2      ASN  48  -0.762   0.764  -3.582
  329    H    ASN  49           H        ASN  49  -1.098   3.639   2.320
  330    HA   ASN  49           HA       ASN  49   0.822   5.319   0.824
  331   1HB   ASN  49          1HB       ASN  49  -1.125   6.797   1.399
  332   2HB   ASN  49          2HB       ASN  49  -0.997   6.316   3.081
  333   1HD2  ASN  49          1HD2      ASN  49  -0.103   8.644   0.850
  334   2HD2  ASN  49          2HD2      ASN  49   1.115   9.442   1.792
  335    H    PHE  50           H        PHE  50   2.585   4.252   1.512
  336    HA   PHE  50           HA       PHE  50   2.696   3.338   4.311
  337   1HB   PHE  50          1HB       PHE  50   4.024   2.166   1.870
  338   2HB   PHE  50          2HB       PHE  50   4.369   1.658   3.450
  339    HD1  PHE  50           1HD      PHE  50   2.415   0.982   5.023
  340    HD2  PHE  50           2HD      PHE  50   1.960   1.318   0.751
  341    HE1  PHE  50           1HE      PHE  50   0.288  -0.279   5.154
  342    HE2  PHE  50           2HE      PHE  50  -0.143   0.021   0.890
  343    HZ   PHE  50           HZ       PHE  50  -1.017  -0.712   3.103
  344    H    HIS  51           H        HIS  51   4.545   3.303   5.316
  345    HA   HIS  51           HA       HIS  51   5.983   5.879   5.028
  346   1HB   HIS  51          1HB       HIS  51   5.726   3.965   7.381
  347   2HB   HIS  51          2HB       HIS  51   6.242   5.630   7.381
  348    HD1  HIS  51           1HD      HIS  51   3.234   3.664   8.136
  349    HD2  HIS  51           2HD      HIS  51   3.949   7.016   5.669
  350    HE1  HIS  51           1HE      HIS  51   0.952   4.429   7.201
  351    HE2  HIS  51           2HE      HIS  51   1.414   6.434   5.694
  352    H    SER  52           H        SER  52   6.393   2.615   4.508
  353    HA   SER  52           HA       SER  52   9.324   2.871   4.217
  354   1HB   SER  52          1HB       SER  52   9.580   0.780   5.705
  355   2HB   SER  52          2HB       SER  52   9.249   2.300   6.528
  356    HG   SER  52           HG       SER  52   7.935   0.476   7.257
  357    H    ARG  53           H        ARG  53  10.244   0.848   3.444
  358    HA   ARG  53           HA       ARG  53   8.829  -0.313   1.172
  359   1HB   ARG  53          1HB       ARG  53  11.217  -0.055   1.116
  360   2HB   ARG  53          2HB       ARG  53  11.402  -1.019   2.577
  361   1HG   ARG  53          1HG       ARG  53  11.966  -2.258   0.623
  362   2HG   ARG  53          2HG       ARG  53  10.605  -3.025   1.429
  363   1HD   ARG  53          1HD       ARG  53   9.114  -2.017  -0.345
  364   2HD   ARG  53          2HD       ARG  53  10.532  -1.316  -1.093
  365    HE   ARG  53           HE       ARG  53  10.507  -4.248  -0.630
  366   1HH1  ARG  53          2HH2      ARG  53   9.888  -1.794  -3.144
  367   2HH1  ARG  53          1HH2      ARG  53   9.804  -3.006  -4.376
  368   1HH2  ARG  53          2HH1      ARG  53  10.440  -5.651  -2.180
  369   2HH2  ARG  53          1HH1      ARG  53  10.392  -5.240  -3.875
  370    H    GLU  54           H        GLU  54   9.844  -1.452   4.365
  371    HA   GLU  54           HA       GLU  54   8.843  -3.931   4.745
  372   1HB   GLU  54          1HB       GLU  54  10.138  -2.918   6.322
  373   2HB   GLU  54          2HB       GLU  54   9.323  -1.419   6.313
  374   1HG   GLU  54          1HG       GLU  54   7.854  -3.756   7.532
  375   2HG   GLU  54          2HG       GLU  54   9.282  -3.148   8.376
  376    H    SER  55           H        SER  55   6.989  -1.193   5.932
  377    HA   SER  55           HA       SER  55   4.651  -2.616   6.274
  378   1HB   SER  55          1HB       SER  55   3.418  -0.415   6.293
  379   2HB   SER  55          2HB       SER  55   4.801  -0.532   7.359
  380    HG   SER  55           HG       SER  55   6.006   0.713   6.048
  381    H    CYS  56           H        CYS  56   5.655  -1.080   3.305
  382    HA   CYS  56           HA       CYS  56   3.128  -1.405   1.930
  383   1HB   CYS  56          1HB       CYS  56   5.250   0.129   1.454
  384   2HB   CYS  56          2HB       CYS  56   5.891  -1.279   0.646
  385    H    GLU  57           H        GLU  57   6.160  -3.248   2.095
  386    HA   GLU  57           HA       GLU  57   5.492  -5.264   0.208
  387   1HB   GLU  57          1HB       GLU  57   7.356  -5.335   2.556
  388   2HB   GLU  57          2HB       GLU  57   7.133  -6.691   1.436
  389   1HG   GLU  57          1HG       GLU  57   7.468  -4.107   0.003
  390   2HG   GLU  57          2HG       GLU  57   8.762  -4.455   1.090
  391    H    ASP  58           H        ASP  58   4.865  -4.968   3.766
  392    HA   ASP  58           HA       ASP  58   3.502  -7.459   4.046
  393   1HB   ASP  58          1HB       ASP  58   3.943  -6.276   6.088
  394   2HB   ASP  58          2HB       ASP  58   3.019  -4.864   5.549
  395    H    ALA  59           H        ALA  59   2.229  -4.170   3.089
  396    HA   ALA  59           HA       ALA  59  -0.460  -4.897   2.889
  397   1HB   ALA  59          1HB       ALA  59   0.575  -2.613   2.517
  398   2HB   ALA  59          2HB       ALA  59   0.887  -3.100   0.838
  399   3HB   ALA  59          3HB       ALA  59  -0.775  -3.047   1.435
  400    H    CYS  60           H        CYS  60   2.075  -5.243   0.392
  401    HA   CYS  60           HA       CYS  60   1.465  -7.767  -0.390
  402   1HB   CYS  60          1HB       CYS  60   0.341  -5.644  -2.155
  403   2HB   CYS  60          2HB       CYS  60   0.998  -7.032  -2.849
  404    HA   PRO  61           HA       PRO  61   1.856  -8.817  -2.230
  405   1HB   PRO  61          1HB       PRO  61   3.401 -10.314  -3.865
  406   2HB   PRO  61          2HB       PRO  61   2.700  -8.757  -4.397
  407   1HG   PRO  61          1HG       PRO  61   5.538  -9.299  -3.490
  408   2HG   PRO  61          2HG       PRO  61   4.963  -8.296  -4.851
  409   1HD   PRO  61          1HD       PRO  61   5.601  -7.379  -2.241
  410   2HD   PRO  61          2HD       PRO  61   4.653  -6.475  -3.451
  411    H    VAL  62           H        VAL  62   1.928  -9.551   0.033
  412    HA   VAL  62           HA       VAL  62   3.955 -11.606   0.677
  413    HB   VAL  62           HB       VAL  62   3.117  -9.195   2.293
  414   1HG1  VAL  62          1HG1      VAL  62   4.476 -11.631   3.489
  415   2HG1  VAL  62          2HG1      VAL  62   4.505 -10.006   4.197
  416   3HG1  VAL  62          3HG1      VAL  62   2.970 -10.807   4.043
  417   1HG2  VAL  62          1HG2      VAL  62   5.578  -8.910   2.499
  418   2HG2  VAL  62          2HG2      VAL  62   5.848 -10.461   1.669
  419   3HG2  VAL  62          3HG2      VAL  62   5.162  -9.080   0.804
  420    H    VAL  63           H        VAL  63   2.649 -12.277   3.097
  421    HA   VAL  63           HA       VAL  63   1.019 -14.335   2.136
  422    HB   VAL  63           HB       VAL  63   0.877 -13.228   4.947
  423   1HG1  VAL  63          1HG1      VAL  63   0.579 -15.615   5.586
  424   2HG1  VAL  63          2HG1      VAL  63  -0.718 -15.034   4.552
  425   3HG1  VAL  63          3HG1      VAL  63   0.569 -16.062   3.868
  426   1HG2  VAL  63          1HG2      VAL  63   3.271 -13.463   4.484
  427   2HG2  VAL  63          2HG2      VAL  63   2.770 -14.798   5.504
  428   3HG2  VAL  63          3HG2      VAL  63   3.010 -15.069   3.764
  429    H    ASP  64           H        ASP  64  -1.186 -14.720   2.247
  430    HA   ASP  64           HA       ASP  64  -2.851 -12.989   0.978
  431   1HB   ASP  64          1HB       ASP  64  -3.489 -15.241   1.085
  432   2HB   ASP  64          2HB       ASP  64  -3.347 -15.308   2.835
  433    H    HIS  65           H        HIS  65  -3.426 -10.957   1.462
  434    HA   HIS  65           HA       HIS  65  -4.072 -10.167   4.134
  435   1HB   HIS  65          1HB       HIS  65  -3.716  -8.653   1.552
  436   2HB   HIS  65          2HB       HIS  65  -4.626  -7.951   2.883
  437    HD1  HIS  65           1HD      HIS  65  -1.278 -10.045   3.198
  438    HD2  HIS  65           2HD      HIS  65  -2.983  -6.239   3.988
  439    HE1  HIS  65           1HE      HIS  65   0.316  -8.803   4.766
  440    HE2  HIS  65           2HE      HIS  65  -0.593  -6.560   5.206
  441    H    HIS  66           H        HIS  66  -5.564 -11.337   4.585
  442    HA   HIS  66           HA       HIS  66  -7.392 -12.822   3.598
  443   1HB   HIS  66          1HB       HIS  66  -7.109 -11.502   6.240
  444   2HB   HIS  66          2HB       HIS  66  -8.623 -12.330   5.972
  445    HD1  HIS  66           1HD      HIS  66  -4.993 -13.464   4.925
  446    HD2  HIS  66           2HD      HIS  66  -8.586 -14.749   6.772
  447    HE1  HIS  66           1HE      HIS  66  -4.725 -15.921   5.364
  448    HE2  HIS  66           2HE      HIS  66  -6.873 -16.731   6.540
  449    H    HIS  67           H        HIS  67  -8.051 -10.256   2.099
  450    HA   HIS  67           HA       HIS  67 -10.896  -9.975   2.603
  451   1HB   HIS  67          1HB       HIS  67  -9.024  -8.996   0.427
  452   2HB   HIS  67          2HB       HIS  67 -10.785  -8.856   0.264
  453    HD1  HIS  67           1HD      HIS  67  -7.921  -7.160   2.163
  454    HD2  HIS  67           2HD      HIS  67 -12.142  -7.642   2.358
  455    HE1  HIS  67           1HE      HIS  67  -8.779  -5.590   3.981
  456    HE2  HIS  67           2HE      HIS  67 -11.366  -5.860   4.065
  457    H    HIS  68           H        HIS  68  -9.236 -12.566   1.625
  458    HA   HIS  68           HA       HIS  68 -10.865 -13.841  -0.382
  459   1HB   HIS  68          1HB       HIS  68  -8.522 -14.415   0.037
  460   2HB   HIS  68          2HB       HIS  68  -8.809 -14.610   1.752
  461    HD1  HIS  68           1HD      HIS  68 -11.316 -16.747  -0.234
  462    HD2  HIS  68           2HD      HIS  68  -7.431 -16.855   1.500
  463    HE1  HIS  68           1HE      HIS  68 -10.754 -19.137   0.008
  464    HE2  HIS  68           2HE      HIS  68  -8.353 -19.278   1.032
  465    H    HIS  69           H        HIS  69 -12.823 -12.858   0.790
  466    HA   HIS  69           HA       HIS  69 -13.685 -13.481   3.330
  467   1HB   HIS  69          1HB       HIS  69 -14.556 -11.823   1.466
  468   2HB   HIS  69          2HB       HIS  69 -15.694 -13.113   1.095
  469    HD1  HIS  69           1HD      HIS  69 -16.365 -13.947   4.160
  470    HD2  HIS  69           2HD      HIS  69 -16.090 -10.022   2.572
  471    HE1  HIS  69           1HE      HIS  69 -17.719 -12.331   5.739
  472    HE2  HIS  69           2HE      HIS  69 -17.475  -9.960   4.694
  473    H    HIS  70           H        HIS  70 -13.713 -15.676   0.639
  474    HA   HIS  70           HA       HIS  70 -14.626 -17.850   2.182
  475   1HB   HIS  70          1HB       HIS  70 -16.799 -16.983   1.150
  476   2HB   HIS  70          2HB       HIS  70 -16.052 -17.177  -0.442
  477    HD1  HIS  70           1HD      HIS  70 -14.664 -20.031   0.344
  478    HD2  HIS  70           2HD      HIS  70 -18.697 -18.845   0.762
  479    HE1  HIS  70           1HE      HIS  70 -16.089 -22.225   0.372
  480    HE2  HIS  70           2HE      HIS  70 -18.552 -21.465   0.632
  Start of MODEL    3
    1   1H    GLU   1          1H        GLU   1 -11.107  -2.646  -8.524
    2   2H    GLU   1          2H        GLU   1  -9.984  -3.732  -8.030
    3   3H    GLU   1          H         GLU   1 -11.240  -3.303  -7.031
    4    HA   GLU   1           HA       GLU   1 -12.834  -4.272  -8.441
    5   1HB   GLU   1          1HB       GLU   1 -10.505  -5.225 -10.158
    6   2HB   GLU   1          2HB       GLU   1 -12.209  -5.617 -10.383
    7   1HG   GLU   1          1HG       GLU   1 -11.611  -3.975 -12.014
    8   2HG   GLU   1          2HG       GLU   1 -12.717  -3.237 -10.848
    9    H    ALA   2           H        ALA   2 -11.600  -4.880  -5.938
   10    HA   ALA   2           HA       ALA   2 -12.074  -7.767  -5.974
   11   1HB   ALA   2          1HB       ALA   2 -10.144  -8.347  -4.618
   12   2HB   ALA   2          2HB       ALA   2  -9.584  -7.601  -6.130
   13   3HB   ALA   2          3HB       ALA   2  -9.591  -6.666  -4.616
   14    H    GLU   3           H        GLU   3 -13.322  -5.152  -5.160
   15    HA   GLU   3           HA       GLU   3 -13.224  -4.738  -2.374
   16   1HB   GLU   3          1HB       GLU   3 -15.421  -4.081  -4.385
   17   2HB   GLU   3          2HB       GLU   3 -15.253  -3.386  -2.777
   18   1HG   GLU   3          1HG       GLU   3 -14.433  -1.808  -4.441
   19   2HG   GLU   3          2HG       GLU   3 -13.108  -2.340  -3.404
   20    H    ALA   4           H        ALA   4 -15.014  -7.048  -4.277
   21    HA   ALA   4           HA       ALA   4 -17.012  -7.815  -2.361
   22   1HB   ALA   4          1HB       ALA   4 -15.677  -9.443  -4.574
   23   2HB   ALA   4          2HB       ALA   4 -17.184  -9.859  -3.735
   24   3HB   ALA   4          3HB       ALA   4 -17.125  -8.417  -4.768
   25    H    GLU   5           H        GLU   5 -13.604  -8.216  -2.334
   26    HA   GLU   5           HA       GLU   5 -13.742 -10.413  -0.333
   27   1HB   GLU   5          1HB       GLU   5 -11.564  -9.462  -2.235
   28   2HB   GLU   5          2HB       GLU   5 -11.135 -10.286  -0.750
   29   1HG   GLU   5          1HG       GLU   5 -13.196 -11.494  -2.644
   30   2HG   GLU   5          2HG       GLU   5 -11.470 -11.648  -2.945
   31    H    PHE   6           H        PHE   6 -11.925  -7.344  -1.086
   32    HA   PHE   6           HA       PHE   6 -12.898  -6.022   1.204
   33   1HB   PHE   6          1HB       PHE   6 -11.184  -7.601   2.282
   34   2HB   PHE   6          2HB       PHE   6  -9.947  -6.829   1.317
   35    HD1  PHE   6           1HD      PHE   6 -12.821  -5.799   3.562
   36    HD2  PHE   6           2HD      PHE   6  -8.682  -5.201   2.472
   37    HE1  PHE   6           1HE      PHE   6 -12.613  -4.032   5.291
   38    HE2  PHE   6           2HE      PHE   6  -8.489  -3.439   4.187
   39    HZ   PHE   6           HZ       PHE   6 -10.447  -2.841   5.600
   40    H    THR   7           H        THR   7 -12.468  -3.760   0.936
   41    HA   THR   7           HA       THR   7 -11.048  -2.978  -1.510
   42    HB   THR   7           HB       THR   7 -12.259  -1.259   0.710
   43    HG1  THR   7           1HG      THR   7 -14.078  -1.212  -0.712
   44   1HG2  THR   7          1HG2      THR   7 -11.706  -0.687  -2.243
   45   2HG2  THR   7          2HG2      THR   7 -12.466   0.430  -1.085
   46   3HG2  THR   7          3HG2      THR   7 -10.774  -0.054  -0.870
   47    H    ASP   8           H        ASP   8  -8.957  -3.671  -1.080
   48    HA   ASP   8           HA       ASP   8  -7.620  -3.005   1.479
   49   1HB   ASP   8          1HB       ASP   8  -7.699  -5.302   0.256
   50   2HB   ASP   8          2HB       ASP   8  -6.508  -4.592  -0.834
   51    H    ALA   9           H        ALA   9  -5.423  -2.166   1.424
   52    HA   ALA   9           HA       ALA   9  -5.125   0.237  -0.215
   53   1HB   ALA   9          1HB       ALA   9  -3.227  -1.309   1.628
   54   2HB   ALA   9          2HB       ALA   9  -2.830   0.223   0.847
   55   3HB   ALA   9          3HB       ALA   9  -4.143   0.161   2.042
   56    H    CYS  10           H        CYS  10  -4.075  -3.106  -0.163
   57    HA   CYS  10           HA       CYS  10  -2.134  -3.142  -2.248
   58   1HB   CYS  10          1HB       CYS  10  -2.439  -4.814  -0.510
   59   2HB   CYS  10          2HB       CYS  10  -4.049  -5.190  -1.087
   60    H    VAL  11           H        VAL  11  -5.659  -2.903  -2.369
   61    HA   VAL  11           HA       VAL  11  -5.749  -3.696  -5.227
   62    HB   VAL  11           HB       VAL  11  -7.886  -3.301  -3.091
   63   1HG1  VAL  11          1HG1      VAL  11  -8.243  -4.225  -5.973
   64   2HG1  VAL  11          2HG1      VAL  11  -9.476  -4.333  -4.685
   65   3HG1  VAL  11          3HG1      VAL  11  -8.925  -2.761  -5.226
   66   1HG2  VAL  11          1HG2      VAL  11  -7.043  -5.867  -4.507
   67   2HG2  VAL  11          2HG2      VAL  11  -6.450  -5.411  -2.909
   68   3HG2  VAL  11          3HG2      VAL  11  -8.170  -5.689  -3.136
   69    H    LEU  12           H        LEU  12  -5.235  -0.829  -3.375
   70    HA   LEU  12           HA       LEU  12  -6.921   0.796  -5.199
   71   1HB   LEU  12          1HB       LEU  12  -7.700   1.017  -3.079
   72   2HB   LEU  12          2HB       LEU  12  -6.100   0.979  -2.322
   73    HG   LEU  12           HG       LEU  12  -5.998   3.369  -3.656
   74   1HD1  LEU  12          1HD1      LEU  12  -8.097   4.529  -3.520
   75   2HD1  LEU  12          2HD1      LEU  12  -8.451   3.022  -4.377
   76   3HD1  LEU  12          3HD1      LEU  12  -8.878   3.162  -2.676
   77   1HD2  LEU  12          1HD2      LEU  12  -7.210   2.928  -0.916
   78   2HD2  LEU  12          2HD2      LEU  12  -5.472   2.965  -1.304
   79   3HD2  LEU  12          3HD2      LEU  12  -6.444   4.409  -1.578
   80    HA   PRO  13           HA       PRO  13  -3.055   2.387  -6.717
   81   1HB   PRO  13          1HB       PRO  13  -3.863   4.888  -7.674
   82   2HB   PRO  13          2HB       PRO  13  -4.033   3.333  -8.520
   83   1HG   PRO  13          1HG       PRO  13  -6.105   4.956  -7.118
   84   2HG   PRO  13          2HG       PRO  13  -6.312   3.774  -8.443
   85   1HD   PRO  13          1HD       PRO  13  -6.780   3.401  -5.667
   86   2HD   PRO  13          2HD       PRO  13  -6.813   2.107  -6.862
   87    H    ALA  14           H        ALA  14  -1.692   4.433  -6.571
   88    HA   ALA  14           HA       ALA  14  -1.347   5.168  -3.750
   89   1HB   ALA  14          1HB       ALA  14  -0.002   6.327  -6.244
   90   2HB   ALA  14          2HB       ALA  14   0.563   6.442  -4.564
   91   3HB   ALA  14          3HB       ALA  14   0.574   4.874  -5.396
   92    H    VAL  15           H        VAL  15  -1.783   7.315  -2.898
   93    HA   VAL  15           HA       VAL  15  -3.139   9.206  -4.742
   94    HB   VAL  15           HB       VAL  15  -4.015   8.631  -1.915
   95   1HG1  VAL  15          1HG1      VAL  15  -4.364  10.969  -2.404
   96   2HG1  VAL  15          2HG1      VAL  15  -5.140  10.573  -3.963
   97   3HG1  VAL  15          3HG1      VAL  15  -5.915  10.150  -2.423
   98   1HG2  VAL  15          1HG2      VAL  15  -5.313   7.985  -4.603
   99   2HG2  VAL  15          2HG2      VAL  15  -4.819   6.822  -3.353
  100   3HG2  VAL  15          3HG2      VAL  15  -6.183   7.912  -3.065
  101    H    GLN  16           H        GLN  16  -2.435  11.117  -4.586
  102    HA   GLN  16           HA       GLN  16   0.015  11.657  -3.027
  103   1HB   GLN  16          1HB       GLN  16  -1.315  13.419  -5.129
  104   2HB   GLN  16          2HB       GLN  16   0.299  13.604  -4.436
  105   1HG   GLN  16          1HG       GLN  16   0.852  11.294  -5.414
  106   2HG   GLN  16          2HG       GLN  16  -0.680  11.388  -6.284
  107   1HE2  GLN  16          1HE2      GLN  16   2.547  12.838  -5.954
  108   2HE2  GLN  16          2HE2      GLN  16   2.448  13.790  -7.446
  109    H    GLY  17           H        GLY  17  -3.321  12.860  -3.335
  110   1HA   GLY  17          1HA       GLY  17  -4.563  13.767  -1.567
  111   2HA   GLY  17          2HA       GLY  17  -3.059  14.345  -0.810
  112    HA   PRO  18           HA       PRO  18  -4.973  17.562  -3.683
  113   1HB   PRO  18          1HB       PRO  18  -6.085  19.365  -1.946
  114   2HB   PRO  18          2HB       PRO  18  -6.905  17.855  -2.442
  115   1HG   PRO  18          1HG       PRO  18  -5.294  18.354   0.081
  116   2HG   PRO  18          2HG       PRO  18  -6.921  17.619  -0.062
  117   1HD   PRO  18          1HD       PRO  18  -4.665  16.088   0.122
  118   2HD   PRO  18          2HD       PRO  18  -6.047  15.596  -0.891
  119    H    CYS  19           H        CYS  19  -2.539  17.643  -1.280
  120    HA   CYS  19           HA       CYS  19  -1.946  20.475  -1.440
  121   1HB   CYS  19          1HB       CYS  19  -0.547  18.160  -0.097
  122   2HB   CYS  19          2HB       CYS  19   0.037  19.809   0.002
  123    H    ARG  20           H        ARG  20   0.584  20.882  -1.596
  124    HA   ARG  20           HA       ARG  20   1.544  19.921  -4.229
  125   1HB   ARG  20          1HB       ARG  20   0.875  22.772  -3.490
  126   2HB   ARG  20          2HB       ARG  20   2.139  22.407  -4.648
  127   1HG   ARG  20          1HG       ARG  20   0.671  22.099  -6.284
  128   2HG   ARG  20          2HG       ARG  20  -0.115  20.792  -5.433
  129   1HD   ARG  20          1HD       ARG  20  -0.765  23.738  -5.076
  130   2HD   ARG  20          2HD       ARG  20  -1.611  22.644  -6.168
  131    HE   ARG  20           HE       ARG  20  -2.267  21.274  -4.212
  132   1HH1  ARG  20          2HH2      ARG  20  -1.573  24.719  -3.676
  133   2HH1  ARG  20          1HH2      ARG  20  -2.708  24.891  -2.383
  134   1HH2  ARG  20          2HH1      ARG  20  -3.778  21.506  -2.594
  135   2HH2  ARG  20          1HH1      ARG  20  -4.004  22.973  -1.700
  136    H    GLY  21           H        GLY  21   2.283  19.851  -1.287
  137   1HA   GLY  21          1HA       GLY  21   5.139  20.757  -1.387
  138   2HA   GLY  21          2HA       GLY  21   4.283  20.140   0.072
  139    H    TRP  22           H        TRP  22   6.684  18.606  -0.956
  140    HA   TRP  22           HA       TRP  22   5.304  16.269  -2.087
  141   1HB   TRP  22          1HB       TRP  22   7.858  17.517  -3.139
  142   2HB   TRP  22          2HB       TRP  22   7.180  16.003  -3.680
  143    HD1  TRP  22           HD       TRP  22   7.599  19.159  -4.981
  144    HE1  TRP  22           1HE      TRP  22   5.717  20.102  -6.433
  145    HE3  TRP  22           3HE      TRP  22   3.828  15.923  -3.689
  146    HZ2  TRP  22           2HZ      TRP  22   2.931  19.546  -6.968
  147    HZ3  TRP  22           3HZ      TRP  22   1.586  16.154  -4.694
  148    HH2  TRP  22           HH       TRP  22   1.118  17.958  -6.321
  149    H    GLU  23           H        GLU  23   5.602  14.754  -0.846
  150    HA   GLU  23           HA       GLU  23   7.938  14.389   0.967
  151   1HB   GLU  23          1HB       GLU  23   6.002  15.210   2.162
  152   2HB   GLU  23          2HB       GLU  23   4.921  14.128   1.296
  153   1HG   GLU  23          1HG       GLU  23   5.061  13.288   3.448
  154   2HG   GLU  23          2HG       GLU  23   5.953  12.178   2.423
  155    HA   PRO  24           HA       PRO  24   7.854  10.468  -1.537
  156   1HB   PRO  24          1HB       PRO  24   9.981   9.204  -0.416
  157   2HB   PRO  24          2HB       PRO  24  10.152  10.557  -1.576
  158   1HG   PRO  24          1HG       PRO  24  10.288  10.670   1.452
  159   2HG   PRO  24          2HG       PRO  24  11.417  11.399   0.265
  160   1HD   PRO  24          1HD       PRO  24   9.421  12.815   1.440
  161   2HD   PRO  24          2HD       PRO  24   9.886  13.127  -0.257
  162    H    ARG  25           H        ARG  25   6.732   8.758  -1.258
  163    HA   ARG  25           HA       ARG  25   6.548   7.350   1.330
  164   1HB   ARG  25          1HB       ARG  25   4.182   8.364  -0.316
  165   2HB   ARG  25          2HB       ARG  25   4.013   7.046   0.842
  166   1HG   ARG  25          1HG       ARG  25   4.967   9.840   1.559
  167   2HG   ARG  25          2HG       ARG  25   3.330   9.209   1.761
  168   1HD   ARG  25          1HD       ARG  25   4.143   7.466   3.280
  169   2HD   ARG  25          2HD       ARG  25   5.797   8.053   3.120
  170    HE   ARG  25           HE       ARG  25   3.528   9.331   4.491
  171   1HH1  ARG  25          2HH2      ARG  25   6.958   9.756   3.368
  172   2HH1  ARG  25          1HH2      ARG  25   7.212  11.035   4.510
  173   1HH2  ARG  25          2HH1      ARG  25   4.073  11.215   5.910
  174   2HH2  ARG  25          1HH1      ARG  25   5.678  11.882   5.698
  175    H    TRP  26           H        TRP  26   5.163   5.254   0.798
  176    HA   TRP  26           HA       TRP  26   6.124   4.120  -1.786
  177   1HB   TRP  26          1HB       TRP  26   6.183   3.022   1.046
  178   2HB   TRP  26          2HB       TRP  26   6.234   1.970  -0.367
  179    HD1  TRP  26           HD       TRP  26   8.253   4.853   1.259
  180    HE1  TRP  26           1HE      TRP  26  10.678   4.725   0.486
  181    HE3  TRP  26           3HE      TRP  26   7.869   0.798  -1.762
  182    HZ2  TRP  26           2HZ      TRP  26  12.222   3.191  -1.474
  183    HZ3  TRP  26           3HZ      TRP  26   9.733   0.257  -3.388
  184    HH2  TRP  26           HH       TRP  26  11.920   1.356  -3.145
  185    H    ALA  27           H        ALA  27   4.576   2.800  -2.867
  186    HA   ALA  27           HA       ALA  27   2.045   2.283  -1.488
  187   1HB   ALA  27          1HB       ALA  27   1.351   4.284  -2.618
  188   2HB   ALA  27          2HB       ALA  27   2.186   3.788  -4.130
  189   3HB   ALA  27          3HB       ALA  27   0.751   2.931  -3.562
  190    H    TYR  28           H        TYR  28   1.015   0.504  -2.272
  191    HA   TYR  28           HA       TYR  28   2.673  -1.372  -3.794
  192   1HB   TYR  28          1HB       TYR  28   1.314  -2.089  -1.810
  193   2HB   TYR  28          2HB       TYR  28  -0.149  -1.645  -2.666
  194    HD1  TYR  28           1HD      TYR  28  -1.119  -3.080  -4.317
  195    HD2  TYR  28           2HD      TYR  28   2.768  -4.018  -2.732
  196    HE1  TYR  28           1HE      TYR  28  -1.260  -5.345  -5.295
  197    HE2  TYR  28           2HE      TYR  28   2.710  -6.201  -3.825
  198    HH   TYR  28           HH       TYR  28   1.484  -7.660  -5.098
  199    H    SER  29           H        SER  29   2.199  -2.145  -5.854
  200    HA   SER  29           HA       SER  29  -0.037  -0.879  -7.331
  201   1HB   SER  29          1HB       SER  29   2.866  -1.258  -8.027
  202   2HB   SER  29          2HB       SER  29   1.713  -1.055  -9.307
  203    HG   SER  29           HG       SER  29   1.385   0.573  -7.093
  204    HA   PRO  30           HA       PRO  30  -0.767  -5.357  -7.507
  205   1HB   PRO  30          1HB       PRO  30  -3.297  -5.239  -8.632
  206   2HB   PRO  30          2HB       PRO  30  -2.960  -5.125  -6.880
  207   1HG   PRO  30          1HG       PRO  30  -3.516  -2.910  -8.838
  208   2HG   PRO  30          2HG       PRO  30  -4.074  -3.070  -7.149
  209   1HD   PRO  30          1HD       PRO  30  -1.972  -1.479  -7.884
  210   2HD   PRO  30          2HD       PRO  30  -2.037  -2.295  -6.298
  211    H    LEU  31           H        LEU  31  -1.268  -2.947 -10.086
  212    HA   LEU  31           HA       LEU  31  -1.047  -4.684 -12.320
  213   1HB   LEU  31          1HB       LEU  31  -0.354  -1.728 -12.006
  214   2HB   LEU  31          2HB       LEU  31  -0.374  -2.620 -13.509
  215    HG   LEU  31           HG       LEU  31  -2.880  -3.256 -12.606
  216   1HD1  LEU  31          1HD1      LEU  31  -2.684  -1.728 -10.632
  217   2HD1  LEU  31          2HD1      LEU  31  -2.399  -0.364 -11.736
  218   3HD1  LEU  31          3HD1      LEU  31  -3.951  -1.225 -11.749
  219   1HD2  LEU  31          1HD2      LEU  31  -2.325  -2.450 -14.847
  220   2HD2  LEU  31          2HD2      LEU  31  -3.714  -1.574 -14.191
  221   3HD2  LEU  31          3HD2      LEU  31  -2.111  -0.796 -14.227
  222    H    LEU  32           H        LEU  32   1.367  -3.718 -10.015
  223    HA   LEU  32           HA       LEU  32   3.554  -4.709 -11.785
  224   1HB   LEU  32          1HB       LEU  32   3.388  -2.752  -9.500
  225   2HB   LEU  32          2HB       LEU  32   4.915  -3.479  -9.885
  226    HG   LEU  32           HG       LEU  32   3.294  -1.955 -11.961
  227   1HD1  LEU  32          1HD1      LEU  32   4.901  -0.093 -11.584
  228   2HD1  LEU  32          2HD1      LEU  32   3.888  -0.407 -10.174
  229   3HD1  LEU  32          3HD1      LEU  32   5.579  -0.974 -10.196
  230   1HD2  LEU  32          1HD2      LEU  32   6.220  -2.842 -11.899
  231   2HD2  LEU  32          2HD2      LEU  32   4.944  -3.500 -12.941
  232   3HD2  LEU  32          3HD2      LEU  32   5.472  -1.835 -13.161
  233    H    GLN  33           H        GLN  33   1.430  -5.574  -9.403
  234    HA   GLN  33           HA       GLN  33   1.212  -6.887  -7.704
  235   1HB   GLN  33          1HB       GLN  33   1.749  -8.409  -9.697
  236   2HB   GLN  33          2HB       GLN  33   3.346  -8.630  -8.982
  237   1HG   GLN  33          1HG       GLN  33   1.341  -9.033  -6.938
  238   2HG   GLN  33          2HG       GLN  33   0.828  -9.913  -8.359
  239   1HE2  GLN  33          1HE2      GLN  33   3.865  -9.412  -6.444
  240   2HE2  GLN  33          2HE2      GLN  33   4.332 -11.122  -6.531
  241    H    GLN  34           H        GLN  34   3.158  -4.712  -7.334
  242    HA   GLN  34           HA       GLN  34   4.636  -5.606  -4.991
  243   1HB   GLN  34          1HB       GLN  34   6.043  -6.483  -6.896
  244   2HB   GLN  34          2HB       GLN  34   6.131  -4.821  -7.495
  245   1HG   GLN  34          1HG       GLN  34   8.196  -5.772  -6.450
  246   2HG   GLN  34          2HG       GLN  34   7.701  -4.150  -6.031
  247   1HE2  GLN  34          1HE2      GLN  34   7.546  -7.591  -4.686
  248   2HE2  GLN  34          2HE2      GLN  34   7.857  -6.965  -3.070
  249    H    CYS  35           H        CYS  35   6.189  -3.736  -4.422
  250    HA   CYS  35           HA       CYS  35   4.569  -1.253  -4.434
  251   1HB   CYS  35          1HB       CYS  35   6.657  -2.395  -2.558
  252   2HB   CYS  35          2HB       CYS  35   6.112  -0.726  -2.455
  253    H    HIS  36           H        HIS  36   5.471   0.696  -4.548
  254    HA   HIS  36           HA       HIS  36   8.306   0.975  -5.331
  255   1HB   HIS  36          1HB       HIS  36   7.860   2.232  -7.374
  256   2HB   HIS  36          2HB       HIS  36   7.166   0.630  -7.487
  257    HD1  HIS  36           1HD      HIS  36   6.031   4.294  -6.866
  258    HD2  HIS  36           2HD      HIS  36   4.479   0.492  -8.024
  259    HE1  HIS  36           1HE      HIS  36   3.595   4.646  -7.605
  260    HE2  HIS  36           2HE      HIS  36   2.712   2.266  -8.279
  261    HA   PRO  37           HA       PRO  37   7.725   4.730  -2.985
  262   1HB   PRO  37          1HB       PRO  37   9.657   6.394  -4.193
  263   2HB   PRO  37          2HB       PRO  37   9.897   5.297  -2.815
  264   1HG   PRO  37          1HG       PRO  37  10.871   4.999  -5.564
  265   2HG   PRO  37          2HG       PRO  37  11.250   4.003  -4.127
  266   1HD   PRO  37          1HD       PRO  37   9.443   3.412  -6.318
  267   2HD   PRO  37          2HD       PRO  37   9.962   2.361  -4.981
  268    H    PHE  38           H        PHE  38   7.045   7.163  -3.342
  269    HA   PHE  38           HA       PHE  38   6.547   7.990  -6.021
  270   1HB   PHE  38          1HB       PHE  38   4.212   8.018  -6.126
  271   2HB   PHE  38          2HB       PHE  38   4.591   6.385  -5.647
  272    HD1  PHE  38           1HD      PHE  38   2.627   9.286  -4.944
  273    HD2  PHE  38           2HD      PHE  38   4.381   5.820  -3.053
  274    HE1  PHE  38           1HE      PHE  38   0.979   9.440  -3.131
  275    HE2  PHE  38           2HE      PHE  38   2.673   5.982  -1.247
  276    HZ   PHE  38           HZ       PHE  38   0.975   7.765  -1.282
  277    H    VAL  39           H        VAL  39   5.387  10.179  -5.930
  278    HA   VAL  39           HA       VAL  39   6.349  11.691  -3.577
  279    HB   VAL  39           HB       VAL  39   5.489  12.414  -6.409
  280   1HG1  VAL  39          1HG1      VAL  39   5.916  14.242  -4.026
  281   2HG1  VAL  39          2HG1      VAL  39   6.042  14.807  -5.714
  282   3HG1  VAL  39          3HG1      VAL  39   4.518  14.158  -5.113
  283   1HG2  VAL  39          1HG2      VAL  39   7.764  13.358  -6.532
  284   2HG2  VAL  39          2HG2      VAL  39   8.072  12.890  -4.850
  285   3HG2  VAL  39          3HG2      VAL  39   7.836  11.646  -6.098
  286    H    TYR  40           H        TYR  40   4.945  11.914  -1.988
  287    HA   TYR  40           HA       TYR  40   2.023  11.962  -2.439
  288   1HB   TYR  40          1HB       TYR  40   2.508  10.184  -1.002
  289   2HB   TYR  40          2HB       TYR  40   3.868  10.979  -0.272
  290    HD1  TYR  40           1HD      TYR  40   3.716  11.796   1.846
  291    HD2  TYR  40           2HD      TYR  40   0.095  11.354  -0.466
  292    HE1  TYR  40           1HE      TYR  40   2.381  12.295   3.856
  293    HE2  TYR  40           2HE      TYR  40  -1.235  12.006   1.517
  294    HH   TYR  40           HH       TYR  40  -1.072  12.927   3.666
  295    H    GLY  41           H        GLY  41   0.960  13.679  -0.930
  296   1HA   GLY  41          1HA       GLY  41   2.587  16.104  -1.179
  297   2HA   GLY  41          2HA       GLY  41   0.863  16.028  -1.245
  298    H    GLY  42           H        GLY  42   1.902  14.146   1.385
  299   1HA   GLY  42          1HA       GLY  42   2.299  14.493   3.595
  300   2HA   GLY  42          2HA       GLY  42   2.664  16.182   3.260
  301    H    CYS  43           H        CYS  43  -0.406  15.765   2.104
  302    HA   CYS  43           HA       CYS  43  -1.771  16.137   4.693
  303   1HB   CYS  43          1HB       CYS  43  -3.110  17.827   3.880
  304   2HB   CYS  43          2HB       CYS  43  -1.477  18.238   3.437
  305    H    GLU  44           H        GLU  44  -4.385  15.971   3.806
  306    HA   GLU  44           HA       GLU  44  -5.125  13.467   4.222
  307   1HB   GLU  44          1HB       GLU  44  -6.481  15.068   2.042
  308   2HB   GLU  44          2HB       GLU  44  -7.159  13.788   3.042
  309   1HG   GLU  44          1HG       GLU  44  -7.984  15.651   4.075
  310   2HG   GLU  44          2HG       GLU  44  -6.582  15.310   5.071
  311    H    GLY  45           H        GLY  45  -5.173  11.426   3.247
  312   1HA   GLY  45          1HA       GLY  45  -4.871  11.005   0.407
  313   2HA   GLY  45          2HA       GLY  45  -3.445  10.586   1.370
  314    H    ASN  46           H        ASN  46  -4.685   8.494   0.136
  315    HA   ASN  46           HA       ASN  46  -6.617   7.306   2.037
  316   1HB   ASN  46          1HB       ASN  46  -5.563   6.117  -0.536
  317   2HB   ASN  46          2HB       ASN  46  -6.902   5.522   0.427
  318   1HD2  ASN  46          1HD2      ASN  46  -8.301   5.496  -1.481
  319   2HD2  ASN  46          2HD2      ASN  46  -8.971   7.051  -1.951
  320    H    GLY  47           H        GLY  47  -6.175   4.748   1.962
  321   1HA   GLY  47          1HA       GLY  47  -4.071   4.410   3.904
  322   2HA   GLY  47          2HA       GLY  47  -5.176   3.160   3.330
  323    H    ASN  48           H        ASN  48  -3.933   4.064   0.437
  324    HA   ASN  48           HA       ASN  48  -1.731   2.072   0.635
  325   1HB   ASN  48          1HB       ASN  48  -3.330   1.853  -1.274
  326   2HB   ASN  48          2HB       ASN  48  -2.763   3.419  -1.884
  327   1HD2  ASN  48          1HD2      ASN  48  -2.354   1.455  -3.642
  328   2HD2  ASN  48          2HD2      ASN  48  -0.743   0.838  -3.651
  329    H    ASN  49           H        ASN  49  -0.749   3.548   2.149
  330    HA   ASN  49           HA       ASN  49   1.153   5.366   0.841
  331   1HB   ASN  49          1HB       ASN  49  -0.910   6.713   1.488
  332   2HB   ASN  49          2HB       ASN  49  -0.650   6.237   3.158
  333   1HD2  ASN  49          1HD2      ASN  49  -0.148   8.688   1.000
  334   2HD2  ASN  49          2HD2      ASN  49   1.166   9.499   1.805
  335    H    PHE  50           H        PHE  50   2.943   4.351   1.537
  336    HA   PHE  50           HA       PHE  50   3.090   3.282   4.303
  337   1HB   PHE  50          1HB       PHE  50   4.324   2.268   1.720
  338   2HB   PHE  50          2HB       PHE  50   4.709   1.591   3.227
  339    HD1  PHE  50           1HD      PHE  50   2.337   1.475   0.530
  340    HD2  PHE  50           2HD      PHE  50   2.625   0.897   4.789
  341    HE1  PHE  50           1HE      PHE  50   0.199   0.204   0.526
  342    HE2  PHE  50           2HE      PHE  50   0.476  -0.315   4.773
  343    HZ   PHE  50           HZ       PHE  50  -0.765  -0.617   2.647
  344    H    HIS  51           H        HIS  51   5.295   3.112   5.132
  345    HA   HIS  51           HA       HIS  51   6.455   5.821   4.901
  346   1HB   HIS  51          1HB       HIS  51   7.278   3.663   6.844
  347   2HB   HIS  51          2HB       HIS  51   7.421   5.395   7.009
  348    HD1  HIS  51           1HD      HIS  51   4.791   6.644   7.364
  349    HD2  HIS  51           2HD      HIS  51   5.212   2.469   7.577
  350    HE1  HIS  51           1HE      HIS  51   2.551   5.740   8.306
  351    HE2  HIS  51           2HE      HIS  51   2.825   3.175   8.475
  352    H    SER  52           H        SER  52   7.045   2.551   4.013
  353    HA   SER  52           HA       SER  52   9.646   3.041   2.807
  354   1HB   SER  52          1HB       SER  52  10.508   1.053   4.322
  355   2HB   SER  52          2HB       SER  52  10.540   2.690   4.938
  356    HG   SER  52           HG       SER  52   9.479   1.089   6.441
  357    H    ARG  53           H        ARG  53  10.402   0.779   1.926
  358    HA   ARG  53           HA       ARG  53   8.143  -0.365   0.644
  359   1HB   ARG  53          1HB       ARG  53  10.460  -0.356  -0.255
  360   2HB   ARG  53          2HB       ARG  53  10.799  -1.764   0.790
  361   1HG   ARG  53          1HG       ARG  53   9.077  -3.072  -0.184
  362   2HG   ARG  53          2HG       ARG  53   8.190  -1.701  -0.827
  363   1HD   ARG  53          1HD       ARG  53   9.062  -2.020  -2.726
  364   2HD   ARG  53          2HD       ARG  53  10.514  -1.348  -2.067
  365    HE   ARG  53           HE       ARG  53  10.441  -4.063  -1.275
  366   1HH1  ARG  53          2HH2      ARG  53  10.266  -2.758  -4.536
  367   2HH1  ARG  53          1HH2      ARG  53  10.670  -4.277  -5.277
  368   1HH2  ARG  53          2HH1      ARG  53  10.523  -5.943  -2.151
  369   2HH2  ARG  53          1HH1      ARG  53  10.838  -6.248  -3.806
  370    H    GLU  54           H        GLU  54   9.981  -1.180   3.551
  371    HA   GLU  54           HA       GLU  54   9.249  -3.670   4.357
  372   1HB   GLU  54          1HB       GLU  54  10.722  -2.337   5.541
  373   2HB   GLU  54          2HB       GLU  54   9.792  -0.912   5.434
  374   1HG   GLU  54          1HG       GLU  54   8.543  -2.840   7.288
  375   2HG   GLU  54          2HG       GLU  54  10.237  -2.482   7.699
  376    H    SER  55           H        SER  55   7.406  -0.931   5.592
  377    HA   SER  55           HA       SER  55   5.128  -2.342   6.243
  378   1HB   SER  55          1HB       SER  55   4.018   0.011   6.118
  379   2HB   SER  55          2HB       SER  55   5.299  -0.325   7.275
  380    HG   SER  55           HG       SER  55   6.719   0.741   6.131
  381    H    CYS  56           H        CYS  56   5.926  -1.160   3.095
  382    HA   CYS  56           HA       CYS  56   3.255  -1.442   1.987
  383   1HB   CYS  56          1HB       CYS  56   5.356  -0.012   1.275
  384   2HB   CYS  56          2HB       CYS  56   5.920  -1.466   0.501
  385    H    GLU  57           H        GLU  57   6.204  -3.401   1.991
  386    HA   GLU  57           HA       GLU  57   5.030  -5.516   0.408
  387   1HB   GLU  57          1HB       GLU  57   7.640  -5.318   1.870
  388   2HB   GLU  57          2HB       GLU  57   7.023  -6.892   1.314
  389   1HG   GLU  57          1HG       GLU  57   6.656  -5.940  -0.966
  390   2HG   GLU  57          2HG       GLU  57   7.367  -4.428  -0.453
  391    H    ASP  58           H        ASP  58   5.186  -4.814   3.877
  392    HA   ASP  58           HA       ASP  58   3.955  -7.240   4.755
  393   1HB   ASP  58          1HB       ASP  58   5.007  -5.667   6.308
  394   2HB   ASP  58          2HB       ASP  58   3.802  -4.437   5.925
  395    H    ALA  59           H        ALA  59   2.547  -4.101   3.487
  396    HA   ALA  59           HA       ALA  59  -0.139  -5.029   3.783
  397   1HB   ALA  59          1HB       ALA  59  -0.778  -3.338   2.178
  398   2HB   ALA  59          2HB       ALA  59   0.456  -2.694   3.284
  399   3HB   ALA  59          3HB       ALA  59   0.893  -3.145   1.620
  400    H    CYS  60           H        CYS  60   2.054  -5.243   0.881
  401    HA   CYS  60           HA       CYS  60   1.261  -7.898   0.308
  402   1HB   CYS  60          1HB       CYS  60   0.317  -5.672  -1.479
  403   2HB   CYS  60          2HB       CYS  60   0.708  -7.173  -2.157
  404    HA   PRO  61           HA       PRO  61   1.495  -8.974  -1.707
  405   1HB   PRO  61          1HB       PRO  61   2.928 -10.650  -3.266
  406   2HB   PRO  61          2HB       PRO  61   2.457  -9.022  -3.833
  407   1HG   PRO  61          1HG       PRO  61   5.141  -9.894  -2.709
  408   2HG   PRO  61          2HG       PRO  61   4.811  -8.883  -4.144
  409   1HD   PRO  61          1HD       PRO  61   5.376  -7.919  -1.563
  410   2HD   PRO  61          2HD       PRO  61   4.554  -6.986  -2.838
  411    H    VAL  62           H        VAL  62   1.301  -9.710   0.505
  412    HA   VAL  62           HA       VAL  62   3.167 -11.844   1.370
  413    HB   VAL  62           HB       VAL  62   0.851 -10.707   2.980
  414   1HG1  VAL  62          1HG1      VAL  62   2.377 -11.338   4.911
  415   2HG1  VAL  62          2HG1      VAL  62   1.769 -12.715   4.032
  416   3HG1  VAL  62          3HG1      VAL  62   3.438 -12.144   3.748
  417   1HG2  VAL  62          1HG2      VAL  62   3.707  -9.656   2.787
  418   2HG2  VAL  62          2HG2      VAL  62   2.198  -8.767   2.475
  419   3HG2  VAL  62          3HG2      VAL  62   2.594  -9.259   4.107
  420    H    VAL  63           H        VAL  63   1.360 -13.575   2.643
  421    HA   VAL  63           HA       VAL  63   0.394 -15.119   0.551
  422    HB   VAL  63           HB       VAL  63  -0.898 -15.162   3.275
  423   1HG1  VAL  63          1HG1      VAL  63  -0.982 -17.612   2.871
  424   2HG1  VAL  63          2HG1      VAL  63  -1.863 -16.703   1.644
  425   3HG1  VAL  63          3HG1      VAL  63  -0.250 -17.364   1.272
  426   1HG2  VAL  63          1HG2      VAL  63   1.823 -16.340   2.522
  427   2HG2  VAL  63          2HG2      VAL  63   1.512 -15.116   3.776
  428   3HG2  VAL  63          3HG2      VAL  63   0.921 -16.757   3.995
  429    H    ASP  64           H        ASP  64  -1.476 -15.393  -0.391
  430    HA   ASP  64           HA       ASP  64  -2.893 -13.249  -1.338
  431   1HB   ASP  64          1HB       ASP  64  -2.874 -15.283  -2.558
  432   2HB   ASP  64          2HB       ASP  64  -3.627 -16.182  -1.236
  433    H    HIS  65           H        HIS  65  -4.220 -11.848  -0.425
  434    HA   HIS  65           HA       HIS  65  -5.404 -12.270   2.124
  435   1HB   HIS  65          1HB       HIS  65  -5.719 -10.013   0.108
  436   2HB   HIS  65          2HB       HIS  65  -6.292  -9.978   1.759
  437    HD1  HIS  65           1HD      HIS  65  -2.800 -11.456   1.854
  438    HD2  HIS  65           2HD      HIS  65  -4.676  -7.643   1.587
  439    HE1  HIS  65           1HE      HIS  65  -1.080  -9.677   2.559
  440    HE2  HIS  65           2HE      HIS  65  -2.157  -7.422   2.302
  441    H    HIS  66           H        HIS  66  -6.598 -13.327  -0.911
  442    HA   HIS  66           HA       HIS  66  -9.400 -12.763  -0.678
  443   1HB   HIS  66          1HB       HIS  66  -7.916 -15.166  -1.804
  444   2HB   HIS  66          2HB       HIS  66  -9.652 -15.065  -1.819
  445    HD1  HIS  66           1HD      HIS  66  -6.637 -13.268  -3.371
  446    HD2  HIS  66           2HD      HIS  66 -10.808 -13.745  -3.765
  447    HE1  HIS  66           1HE      HIS  66  -7.308 -12.045  -5.558
  448    HE2  HIS  66           2HE      HIS  66  -9.877 -12.341  -5.778
  449    H    HIS  67           H        HIS  67 -11.062 -13.716   0.567
  450    HA   HIS  67           HA       HIS  67 -10.134 -14.845   3.092
  451   1HB   HIS  67          1HB       HIS  67 -12.920 -14.182   2.070
  452   2HB   HIS  67          2HB       HIS  67 -12.571 -14.769   3.691
  453    HD1  HIS  67           1HD      HIS  67 -12.369 -11.667   1.575
  454    HD2  HIS  67           2HD      HIS  67 -11.208 -13.048   5.395
  455    HE1  HIS  67           1HE      HIS  67 -11.796  -9.563   2.991
  456    HE2  HIS  67           2HE      HIS  67 -11.053 -10.413   5.290
  457    H    HIS  68           H        HIS  68  -9.204 -16.751   1.882
  458    HA   HIS  68           HA       HIS  68 -10.869 -18.891   0.968
  459   1HB   HIS  68          1HB       HIS  68  -8.414 -19.455   2.651
  460   2HB   HIS  68          2HB       HIS  68  -8.987 -20.316   1.238
  461    HD1  HIS  68           1HD      HIS  68  -6.430 -17.832   2.282
  462    HD2  HIS  68           2HD      HIS  68  -8.673 -18.664  -1.223
  463    HE1  HIS  68           1HE      HIS  68  -5.207 -16.736   0.332
  464    HE2  HIS  68           2HE      HIS  68  -6.534 -17.139  -1.752
  465    H    HIS  69           H        HIS  69 -12.092 -20.457   2.185
  466    HA   HIS  69           HA       HIS  69 -12.704 -19.789   4.934
  467   1HB   HIS  69          1HB       HIS  69 -13.893 -21.956   5.016
  468   2HB   HIS  69          2HB       HIS  69 -14.385 -20.962   3.656
  469    HD1  HIS  69           1HD      HIS  69 -14.871 -22.544   1.659
  470    HD2  HIS  69           2HD      HIS  69 -11.708 -23.866   4.142
  471    HE1  HIS  69           1HE      HIS  69 -14.038 -24.789   0.697
  472    HE2  HIS  69           2HE      HIS  69 -12.112 -25.560   2.259
  473    H    HIS  70           H        HIS  70 -12.218 -21.191   6.814
  474    HA   HIS  70           HA       HIS  70  -9.385 -21.953   6.868
  475   1HB   HIS  70          1HB       HIS  70 -10.590 -20.915   8.865
  476   2HB   HIS  70          2HB       HIS  70 -11.576 -22.382   8.958
  477    HD1  HIS  70           1HD      HIS  70  -8.970 -24.319   8.372
  478    HD2  HIS  70           2HD      HIS  70  -9.516 -21.340  11.315
  479    HE1  HIS  70           1HE      HIS  70  -7.352 -24.909  10.333
  480    HE2  HIS  70           2HE      HIS  70  -7.702 -23.064  12.121
  Start of MODEL    4
    1   1H    GLU   1          1H        GLU   1  -8.744  -2.192  -4.961
    2   2H    GLU   1          2H        GLU   1 -10.001  -1.229  -5.398
    3   3H    GLU   1          H         GLU   1 -10.041  -2.857  -5.731
    4    HA   GLU   1           HA       GLU   1  -9.886  -1.887  -2.996
    5   1HB   GLU   1          1HB       GLU   1 -12.344  -2.252  -4.729
    6   2HB   GLU   1          2HB       GLU   1 -12.426  -2.457  -2.979
    7   1HG   GLU   1          1HG       GLU   1 -13.016  -0.118  -3.909
    8   2HG   GLU   1          2HG       GLU   1 -11.920  -0.210  -2.526
    9    H    ALA   2           H        ALA   2 -10.322  -3.698  -1.490
   10    HA   ALA   2           HA       ALA   2  -8.873  -5.932  -2.646
   11   1HB   ALA   2          1HB       ALA   2  -8.130  -4.572  -0.662
   12   2HB   ALA   2          2HB       ALA   2  -9.472  -5.313   0.263
   13   3HB   ALA   2          3HB       ALA   2  -8.160  -6.312  -0.377
   14    H    GLU   3           H        GLU   3  -9.038  -7.995  -1.301
   15    HA   GLU   3           HA       GLU   3 -11.432  -9.321  -2.129
   16   1HB   GLU   3          1HB       GLU   3  -9.277 -10.610  -0.427
   17   2HB   GLU   3          2HB       GLU   3 -10.283 -11.307  -1.683
   18   1HG   GLU   3          1HG       GLU   3  -8.355 -11.208  -2.880
   19   2HG   GLU   3          2HG       GLU   3  -8.890  -9.570  -3.236
   20    H    ALA   4           H        ALA   4 -10.551  -7.861   0.847
   21    HA   ALA   4           HA       ALA   4 -12.262  -9.690   2.478
   22   1HB   ALA   4          1HB       ALA   4  -9.893  -9.689   3.144
   23   2HB   ALA   4          2HB       ALA   4  -9.921  -7.915   3.290
   24   3HB   ALA   4          3HB       ALA   4 -10.905  -8.900   4.384
   25    H    GLU   5           H        GLU   5 -13.128  -8.526   4.505
   26    HA   GLU   5           HA       GLU   5 -14.896  -6.396   3.731
   27   1HB   GLU   5          1HB       GLU   5 -14.138  -6.922   6.626
   28   2HB   GLU   5          2HB       GLU   5 -15.669  -6.431   5.933
   29   1HG   GLU   5          1HG       GLU   5 -16.197  -8.562   6.517
   30   2HG   GLU   5          2HG       GLU   5 -15.647  -8.883   4.876
   31    H    PHE   6           H        PHE   6 -11.774  -6.661   5.232
   32    HA   PHE   6           HA       PHE   6 -11.446  -3.778   5.808
   33   1HB   PHE   6          1HB       PHE   6 -10.337  -5.380   7.302
   34   2HB   PHE   6          2HB       PHE   6  -9.588  -6.193   5.930
   35    HD1  PHE   6           1HD      PHE   6  -9.624  -2.993   7.873
   36    HD2  PHE   6           2HD      PHE   6  -7.519  -5.392   4.955
   37    HE1  PHE   6           1HE      PHE   6  -7.656  -1.494   8.035
   38    HE2  PHE   6           2HE      PHE   6  -5.549  -3.905   5.162
   39    HZ   PHE   6           HZ       PHE   6  -5.617  -1.956   6.689
   40    H    THR   7           H        THR   7 -11.554  -2.675   3.836
   41    HA   THR   7           HA       THR   7 -10.585  -3.747   1.389
   42    HB   THR   7           HB       THR   7 -11.003  -0.813   2.086
   43    HG1  THR   7           1HG      THR   7 -12.854  -2.905   1.821
   44   1HG2  THR   7          1HG2      THR   7 -10.125  -1.322  -0.196
   45   2HG2  THR   7          2HG2      THR   7 -11.538  -2.377  -0.479
   46   3HG2  THR   7          3HG2      THR   7 -11.755  -0.634  -0.223
   47    H    ASP   8           H        ASP   8  -8.502  -4.481   1.726
   48    HA   ASP   8           HA       ASP   8  -6.428  -3.135   3.012
   49   1HB   ASP   8          1HB       ASP   8  -6.391  -5.522   2.633
   50   2HB   ASP   8          2HB       ASP   8  -6.342  -5.287   0.882
   51    H    ALA   9           H        ALA   9  -5.005  -1.804   2.498
   52    HA   ALA   9           HA       ALA   9  -5.153   0.202   0.542
   53   1HB   ALA   9          1HB       ALA   9  -4.052   0.581   2.632
   54   2HB   ALA   9          2HB       ALA   9  -2.943  -0.796   2.369
   55   3HB   ALA   9          3HB       ALA   9  -2.818   0.642   1.366
   56    H    CYS  10           H        CYS  10  -3.387  -2.920   0.599
   57    HA   CYS  10           HA       CYS  10  -1.624  -2.536  -1.554
   58   1HB   CYS  10          1HB       CYS  10  -1.500  -4.589  -0.371
   59   2HB   CYS  10          2HB       CYS  10  -3.212  -4.915  -0.612
   60    H    VAL  11           H        VAL  11  -5.144  -3.225  -1.708
   61    HA   VAL  11           HA       VAL  11  -4.922  -3.487  -4.646
   62    HB   VAL  11           HB       VAL  11  -7.386  -4.052  -3.015
   63   1HG1  VAL  11          1HG1      VAL  11  -7.789  -5.716  -4.832
   64   2HG1  VAL  11          2HG1      VAL  11  -7.638  -4.089  -5.492
   65   3HG1  VAL  11          3HG1      VAL  11  -6.281  -5.219  -5.612
   66   1HG2  VAL  11          1HG2      VAL  11  -5.708  -5.413  -1.883
   67   2HG2  VAL  11          2HG2      VAL  11  -6.636  -6.471  -2.931
   68   3HG2  VAL  11          3HG2      VAL  11  -5.023  -5.940  -3.439
   69    H    LEU  12           H        LEU  12  -5.171  -0.918  -2.645
   70    HA   LEU  12           HA       LEU  12  -7.439   0.438  -3.940
   71   1HB   LEU  12          1HB       LEU  12  -7.833   0.472  -1.780
   72   2HB   LEU  12          2HB       LEU  12  -6.137   0.455  -1.285
   73    HG   LEU  12           HG       LEU  12  -6.310   2.997  -2.115
   74   1HD1  LEU  12          1HD1      LEU  12  -8.499   3.990  -1.517
   75   2HD1  LEU  12          2HD1      LEU  12  -8.836   2.717  -2.704
   76   3HD1  LEU  12          3HD1      LEU  12  -9.116   2.405  -1.013
   77   1HD2  LEU  12          1HD2      LEU  12  -5.608   2.384   0.082
   78   2HD2  LEU  12          2HD2      LEU  12  -6.977   3.497   0.324
   79   3HD2  LEU  12          3HD2      LEU  12  -7.211   1.763   0.513
   80    HA   PRO  13           HA       PRO  13  -4.573   2.957  -6.280
   81   1HB   PRO  13          1HB       PRO  13  -6.527   5.170  -5.657
   82   2HB   PRO  13          2HB       PRO  13  -5.814   4.719  -7.232
   83   1HG   PRO  13          1HG       PRO  13  -8.367   4.007  -6.595
   84   2HG   PRO  13          2HG       PRO  13  -7.287   2.874  -7.470
   85   1HD   PRO  13          1HD       PRO  13  -8.031   2.849  -4.543
   86   2HD   PRO  13          2HD       PRO  13  -7.799   1.499  -5.665
   87    H    ALA  14           H        ALA  14  -3.180   4.861  -6.053
   88    HA   ALA  14           HA       ALA  14  -2.721   5.756  -3.246
   89   1HB   ALA  14          1HB       ALA  14  -0.735   5.530  -5.560
   90   2HB   ALA  14          2HB       ALA  14  -0.382   6.108  -3.916
   91   3HB   ALA  14          3HB       ALA  14  -0.850   4.417  -4.175
   92    H    VAL  15           H        VAL  15  -2.460   8.060  -3.012
   93    HA   VAL  15           HA       VAL  15  -3.027   9.758  -5.359
   94    HB   VAL  15           HB       VAL  15  -4.674   9.539  -2.818
   95   1HG1  VAL  15          1HG1      VAL  15  -4.800  11.780  -4.862
   96   2HG1  VAL  15          2HG1      VAL  15  -6.034  11.445  -3.625
   97   3HG1  VAL  15          3HG1      VAL  15  -4.423  11.898  -3.114
   98   1HG2  VAL  15          1HG2      VAL  15  -5.417   9.346  -5.782
   99   2HG2  VAL  15          2HG2      VAL  15  -5.412   8.015  -4.604
  100   3HG2  VAL  15          3HG2      VAL  15  -6.583   9.317  -4.440
  101    H    GLN  16           H        GLN  16  -2.337  11.885  -5.002
  102    HA   GLN  16           HA       GLN  16  -0.043  12.092  -3.159
  103   1HB   GLN  16          1HB       GLN  16  -1.111  14.259  -5.025
  104   2HB   GLN  16          2HB       GLN  16   0.433  14.208  -4.188
  105   1HG   GLN  16          1HG       GLN  16   0.945  12.123  -5.630
  106   2HG   GLN  16          2HG       GLN  16  -0.461  12.604  -6.597
  107   1HE2  GLN  16          1HE2      GLN  16   2.848  13.229  -5.910
  108   2HE2  GLN  16          2HE2      GLN  16   3.016  14.760  -6.768
  109    H    GLY  17           H        GLY  17  -3.102  13.792  -3.802
  110   1HA   GLY  17          1HA       GLY  17  -4.530  14.578  -2.053
  111   2HA   GLY  17          2HA       GLY  17  -3.085  15.090  -1.159
  112    HA   PRO  18           HA       PRO  18  -4.747  18.374  -4.136
  113   1HB   PRO  18          1HB       PRO  18  -5.512  20.298  -2.289
  114   2HB   PRO  18          2HB       PRO  18  -6.580  19.017  -2.930
  115   1HG   PRO  18          1HG       PRO  18  -5.078  19.057  -0.308
  116   2HG   PRO  18          2HG       PRO  18  -6.760  18.533  -0.624
  117   1HD   PRO  18          1HD       PRO  18  -4.699  16.753  -0.392
  118   2HD   PRO  18          2HD       PRO  18  -6.043  16.461  -1.511
  119    H    CYS  19           H        CYS  19  -2.749  18.628  -1.185
  120    HA   CYS  19           HA       CYS  19  -1.401  21.013  -1.866
  121   1HB   CYS  19          1HB       CYS  19  -0.133  18.757  -0.326
  122   2HB   CYS  19          2HB       CYS  19   0.137  20.451  -0.104
  123    H    ARG  20           H        ARG  20   0.749  21.212  -2.390
  124    HA   ARG  20           HA       ARG  20   1.882  19.312  -4.384
  125   1HB   ARG  20          1HB       ARG  20   1.711  22.290  -4.543
  126   2HB   ARG  20          2HB       ARG  20   3.036  21.450  -5.299
  127   1HG   ARG  20          1HG       ARG  20   1.310  21.992  -6.888
  128   2HG   ARG  20          2HG       ARG  20   1.617  20.280  -6.814
  129   1HD   ARG  20          1HD       ARG  20  -0.784  21.560  -5.470
  130   2HD   ARG  20          2HD       ARG  20  -0.781  21.111  -7.176
  131    HE   ARG  20           HE       ARG  20  -1.217  19.421  -4.951
  132   1HH1  ARG  20          2HH2      ARG  20   0.018  19.233  -8.264
  133   2HH1  ARG  20          1HH2      ARG  20   0.003  17.487  -8.279
  134   1HH2  ARG  20          2HH1      ARG  20  -1.194  17.155  -4.990
  135   2HH2  ARG  20          1HH1      ARG  20  -0.560  16.305  -6.375
  136    H    GLY  21           H        GLY  21   2.270  19.988  -1.410
  137   1HA   GLY  21          1HA       GLY  21   5.182  20.526  -1.214
  138   2HA   GLY  21          2HA       GLY  21   4.125  19.898   0.102
  139    H    TRP  22           H        TRP  22   6.705  18.493  -0.759
  140    HA   TRP  22           HA       TRP  22   5.531  16.108  -2.047
  141   1HB   TRP  22          1HB       TRP  22   8.190  17.455  -2.581
  142   2HB   TRP  22          2HB       TRP  22   7.750  15.886  -3.194
  143    HD1  TRP  22           HD       TRP  22   8.476  18.645  -4.776
  144    HE1  TRP  22           1HE      TRP  22   6.960  19.463  -6.658
  145    HE3  TRP  22           3HE      TRP  22   4.159  16.078  -3.591
  146    HZ2  TRP  22           2HZ      TRP  22   4.245  19.035  -7.571
  147    HZ3  TRP  22           3HZ      TRP  22   2.168  16.332  -4.940
  148    HH2  TRP  22           HH       TRP  22   2.204  17.750  -6.997
  149    H    GLU  23           H        GLU  23   5.429  14.702  -0.656
  150    HA   GLU  23           HA       GLU  23   7.514  14.178   1.413
  151   1HB   GLU  23          1HB       GLU  23   5.389  15.003   2.277
  152   2HB   GLU  23          2HB       GLU  23   4.474  13.841   1.321
  153   1HG   GLU  23          1HG       GLU  23   4.429  13.113   3.543
  154   2HG   GLU  23          2HG       GLU  23   5.402  11.988   2.611
  155    HA   PRO  24           HA       PRO  24   7.741  10.422  -1.351
  156   1HB   PRO  24          1HB       PRO  24   9.960   9.274  -0.274
  157   2HB   PRO  24          2HB       PRO  24  10.034  10.694  -1.362
  158   1HG   PRO  24          1HG       PRO  24  10.140  10.665   1.670
  159   2HG   PRO  24          2HG       PRO  24  11.217  11.536   0.533
  160   1HD   PRO  24          1HD       PRO  24   9.118  12.750   1.751
  161   2HD   PRO  24          2HD       PRO  24   9.563  13.162   0.072
  162    H    ARG  25           H        ARG  25   6.492   8.763  -1.095
  163    HA   ARG  25           HA       ARG  25   6.515   7.204   1.424
  164   1HB   ARG  25          1HB       ARG  25   4.038   8.278  -0.011
  165   2HB   ARG  25          2HB       ARG  25   3.961   6.941   1.136
  166   1HG   ARG  25          1HG       ARG  25   5.007   9.724   1.823
  167   2HG   ARG  25          2HG       ARG  25   3.386   9.124   2.156
  168   1HD   ARG  25          1HD       ARG  25   4.316   7.277   3.494
  169   2HD   ARG  25          2HD       ARG  25   5.953   7.883   3.257
  170    HE   ARG  25           HE       ARG  25   3.863   8.982   4.967
  171   1HH1  ARG  25          2HH2      ARG  25   7.051   9.638   3.410
  172   2HH1  ARG  25          1HH2      ARG  25   7.331  11.051   4.327
  173   1HH2  ARG  25          2HH1      ARG  25   4.397  10.854   6.310
  174   2HH2  ARG  25          1HH1      ARG  25   5.794  11.776   5.891
  175    H    TRP  26           H        TRP  26   5.083   5.099   0.890
  176    HA   TRP  26           HA       TRP  26   6.012   4.113  -1.789
  177   1HB   TRP  26          1HB       TRP  26   6.121   2.865   0.973
  178   2HB   TRP  26          2HB       TRP  26   6.128   1.882  -0.485
  179    HD1  TRP  26           HD       TRP  26   8.205   4.766   1.092
  180    HE1  TRP  26           1HE      TRP  26  10.654   4.452   0.471
  181    HE3  TRP  26           3HE      TRP  26   7.741   0.615  -1.834
  182    HZ2  TRP  26           2HZ      TRP  26  12.242   2.591  -1.153
  183    HZ3  TRP  26           3HZ      TRP  26   9.645  -0.072  -3.306
  184    HH2  TRP  26           HH       TRP  26  11.905   0.721  -2.798
  185    H    ALA  27           H        ALA  27   4.527   2.752  -2.911
  186    HA   ALA  27           HA       ALA  27   1.986   2.097  -1.568
  187   1HB   ALA  27          1HB       ALA  27   2.086   3.587  -4.231
  188   2HB   ALA  27          2HB       ALA  27   0.685   2.722  -3.612
  189   3HB   ALA  27          3HB       ALA  27   1.286   4.106  -2.711
  190    H    TYR  28           H        TYR  28   0.938   0.311  -2.539
  191    HA   TYR  28           HA       TYR  28   2.765  -1.474  -4.010
  192   1HB   TYR  28          1HB       TYR  28   1.318  -2.327  -2.124
  193   2HB   TYR  28          2HB       TYR  28  -0.089  -1.973  -3.097
  194    HD1  TYR  28           1HD      TYR  28  -0.875  -3.508  -4.745
  195    HD2  TYR  28           2HD      TYR  28   3.065  -4.048  -3.113
  196    HE1  TYR  28           1HE      TYR  28  -0.735  -5.698  -5.834
  197    HE2  TYR  28           2HE      TYR  28   3.285  -6.181  -4.343
  198    HH   TYR  28           HH       TYR  28   0.541  -7.715  -5.943
  199    H    SER  29           H        SER  29   2.480  -2.159  -6.114
  200    HA   SER  29           HA       SER  29   0.163  -1.111  -7.627
  201   1HB   SER  29          1HB       SER  29   3.093  -1.127  -8.267
  202   2HB   SER  29          2HB       SER  29   1.938  -1.056  -9.569
  203    HG   SER  29           HG       SER  29   1.285   0.482  -7.382
  204    HA   PRO  30           HA       PRO  30  -0.107  -5.617  -8.062
  205   1HB   PRO  30          1HB       PRO  30  -2.573  -5.699  -9.305
  206   2HB   PRO  30          2HB       PRO  30  -2.354  -5.583  -7.534
  207   1HG   PRO  30          1HG       PRO  30  -2.929  -3.365  -9.507
  208   2HG   PRO  30          2HG       PRO  30  -3.656  -3.637  -7.891
  209   1HD   PRO  30          1HD       PRO  30  -1.654  -1.844  -8.311
  210   2HD   PRO  30          2HD       PRO  30  -1.758  -2.781  -6.792
  211    H    LEU  31           H        LEU  31  -0.729  -3.134 -10.527
  212    HA   LEU  31           HA       LEU  31  -0.278  -4.742 -12.836
  213   1HB   LEU  31          1HB       LEU  31  -0.207  -1.791 -12.275
  214   2HB   LEU  31          2HB       LEU  31   0.279  -2.418 -13.846
  215    HG   LEU  31           HG       LEU  31  -2.388  -3.174 -12.589
  216   1HD1  LEU  31          1HD1      LEU  31  -3.387  -1.438 -14.004
  217   2HD1  LEU  31          2HD1      LEU  31  -2.268  -0.744 -12.814
  218   3HD1  LEU  31          3HD1      LEU  31  -1.761  -0.913 -14.516
  219   1HD2  LEU  31          1HD2      LEU  31  -3.029  -3.648 -14.951
  220   2HD2  LEU  31          2HD2      LEU  31  -1.380  -3.252 -15.479
  221   3HD2  LEU  31          3HD2      LEU  31  -1.681  -4.661 -14.447
  222    H    LEU  32           H        LEU  32   1.962  -3.632 -10.432
  223    HA   LEU  32           HA       LEU  32   4.284  -4.251 -12.198
  224   1HB   LEU  32          1HB       LEU  32   3.832  -2.482  -9.800
  225   2HB   LEU  32          2HB       LEU  32   5.444  -3.007 -10.174
  226    HG   LEU  32           HG       LEU  32   3.722  -1.542 -12.214
  227   1HD1  LEU  32          1HD1      LEU  32   4.070  -0.050 -10.329
  228   2HD1  LEU  32          2HD1      LEU  32   5.816  -0.423 -10.305
  229   3HD1  LEU  32          3HD1      LEU  32   5.095   0.460 -11.671
  230   1HD2  LEU  32          1HD2      LEU  32   6.727  -2.092 -12.092
  231   2HD2  LEU  32          2HD2      LEU  32   5.572  -2.829 -13.219
  232   3HD2  LEU  32          3HD2      LEU  32   5.907  -1.103 -13.323
  233    H    GLN  33           H        GLN  33   2.216  -5.512  -9.952
  234    HA   GLN  33           HA       GLN  33   2.124  -6.954  -8.337
  235   1HB   GLN  33          1HB       GLN  33   2.829  -8.288 -10.413
  236   2HB   GLN  33          2HB       GLN  33   4.435  -8.385  -9.685
  237   1HG   GLN  33          1HG       GLN  33   2.505  -9.083  -7.666
  238   2HG   GLN  33          2HG       GLN  33   2.021  -9.916  -9.130
  239   1HE2  GLN  33          1HE2      GLN  33   4.966  -9.322  -7.135
  240   2HE2  GLN  33          2HE2      GLN  33   5.612 -10.960  -7.372
  241    H    GLN  34           H        GLN  34   3.721  -4.613  -7.721
  242    HA   GLN  34           HA       GLN  34   5.234  -5.583  -5.459
  243   1HB   GLN  34          1HB       GLN  34   6.778  -5.948  -7.557
  244   2HB   GLN  34          2HB       GLN  34   6.935  -4.186  -7.556
  245   1HG   GLN  34          1HG       GLN  34   7.864  -4.275  -5.252
  246   2HG   GLN  34          2HG       GLN  34   7.639  -6.026  -5.229
  247   1HE2  GLN  34          1HE2      GLN  34   8.670  -6.459  -8.018
  248   2HE2  GLN  34          2HE2      GLN  34  10.393  -6.148  -7.870
  249    H    CYS  35           H        CYS  35   6.351  -3.731  -4.405
  250    HA   CYS  35           HA       CYS  35   4.678  -1.318  -4.391
  251   1HB   CYS  35          1HB       CYS  35   7.086  -2.201  -2.778
  252   2HB   CYS  35          2HB       CYS  35   6.098  -0.779  -2.426
  253    H    HIS  36           H        HIS  36   5.485   0.750  -4.581
  254    HA   HIS  36           HA       HIS  36   8.318   1.074  -5.373
  255   1HB   HIS  36          1HB       HIS  36   7.807   2.427  -7.343
  256   2HB   HIS  36          2HB       HIS  36   7.180   0.797  -7.524
  257    HD1  HIS  36           1HD      HIS  36   5.842   4.343  -6.604
  258    HD2  HIS  36           2HD      HIS  36   4.555   0.579  -8.107
  259    HE1  HIS  36           1HE      HIS  36   3.339   4.569  -7.192
  260    HE2  HIS  36           2HE      HIS  36   2.640   2.234  -8.157
  261    HA   PRO  37           HA       PRO  37   7.809   4.767  -2.890
  262   1HB   PRO  37          1HB       PRO  37   9.673   6.182  -4.763
  263   2HB   PRO  37          2HB       PRO  37   9.825   5.945  -2.997
  264   1HG   PRO  37          1HG       PRO  37  11.352   4.563  -4.837
  265   2HG   PRO  37          2HG       PRO  37  10.836   3.857  -3.282
  266   1HD   PRO  37          1HD       PRO  37   9.728   3.319  -6.008
  267   2HD   PRO  37          2HD       PRO  37   9.900   2.253  -4.606
  268    H    PHE  38           H        PHE  38   6.939   7.147  -3.209
  269    HA   PHE  38           HA       PHE  38   6.365   7.971  -5.879
  270   1HB   PHE  38          1HB       PHE  38   4.044   7.946  -5.922
  271   2HB   PHE  38          2HB       PHE  38   4.457   6.327  -5.431
  272    HD1  PHE  38           1HD      PHE  38   4.294   5.794  -2.818
  273    HD2  PHE  38           2HD      PHE  38   2.463   9.221  -4.717
  274    HE1  PHE  38           1HE      PHE  38   2.545   5.882  -1.056
  275    HE2  PHE  38           2HE      PHE  38   0.740   9.265  -2.963
  276    HZ   PHE  38           HZ       PHE  38   0.765   7.583  -1.134
  277    H    VAL  39           H        VAL  39   5.272  10.176  -5.758
  278    HA   VAL  39           HA       VAL  39   6.246  11.548  -3.313
  279    HB   VAL  39           HB       VAL  39   5.445  12.732  -6.004
  280   1HG1  VAL  39          1HG1      VAL  39   6.954  13.836  -3.594
  281   2HG1  VAL  39          2HG1      VAL  39   6.599  14.721  -5.103
  282   3HG1  VAL  39          3HG1      VAL  39   5.285  14.225  -4.025
  283   1HG2  VAL  39          1HG2      VAL  39   8.227  12.089  -4.913
  284   2HG2  VAL  39          2HG2      VAL  39   7.473  11.374  -6.357
  285   3HG2  VAL  39          3HG2      VAL  39   7.895  13.087  -6.343
  286    H    TYR  40           H        TYR  40   4.764  11.799  -1.844
  287    HA   TYR  40           HA       TYR  40   1.883  12.036  -2.434
  288   1HB   TYR  40          1HB       TYR  40   2.269  10.157  -1.065
  289   2HB   TYR  40          2HB       TYR  40   3.579  10.900  -0.207
  290    HD1  TYR  40           1HD      TYR  40   3.278  11.577   1.938
  291    HD2  TYR  40           2HD      TYR  40  -0.154  11.369  -0.671
  292    HE1  TYR  40           1HE      TYR  40   1.817  12.098   3.842
  293    HE2  TYR  40           2HE      TYR  40  -1.619  11.988   1.228
  294    HH   TYR  40           HH       TYR  40  -1.559  12.886   3.447
  295    H    GLY  41           H        GLY  41   0.913  13.703  -0.618
  296   1HA   GLY  41          1HA       GLY  41   2.764  16.022  -0.580
  297   2HA   GLY  41          2HA       GLY  41   1.109  16.148  -1.093
  298    H    GLY  42           H        GLY  42   1.570  14.065   1.639
  299   1HA   GLY  42          1HA       GLY  42   1.628  14.310   3.888
  300   2HA   GLY  42          2HA       GLY  42   1.900  16.045   3.722
  301    H    CYS  43           H        CYS  43  -0.569  16.552   2.210
  302    HA   CYS  43           HA       CYS  43  -2.555  16.343   4.372
  303   1HB   CYS  43          1HB       CYS  43  -3.890  17.819   2.959
  304   2HB   CYS  43          2HB       CYS  43  -2.292  18.437   3.283
  305    H    GLU  44           H        GLU  44  -4.897  16.010   3.113
  306    HA   GLU  44           HA       GLU  44  -5.637  13.499   3.309
  307   1HB   GLU  44          1HB       GLU  44  -6.671  15.196   1.027
  308   2HB   GLU  44          2HB       GLU  44  -7.468  13.833   1.808
  309   1HG   GLU  44          1HG       GLU  44  -8.492  15.635   2.802
  310   2HG   GLU  44          2HG       GLU  44  -7.302  15.175   4.007
  311    H    GLY  45           H        GLY  45  -5.497  11.473   2.272
  312   1HA   GLY  45          1HA       GLY  45  -5.034  11.202  -0.537
  313   2HA   GLY  45          2HA       GLY  45  -3.616  10.740   0.418
  314    H    ASN  46           H        ASN  46  -4.363   8.554  -0.656
  315    HA   ASN  46           HA       ASN  46  -6.627   7.314   0.825
  316   1HB   ASN  46          1HB       ASN  46  -4.903   5.966  -1.276
  317   2HB   ASN  46          2HB       ASN  46  -6.388   5.392  -0.596
  318   1HD2  ASN  46          1HD2      ASN  46  -6.884   5.033  -2.921
  319   2HD2  ASN  46          2HD2      ASN  46  -7.794   6.363  -3.649
  320    H    GLY  47           H        GLY  47  -6.016   4.900   1.202
  321   1HA   GLY  47          1HA       GLY  47  -4.125   4.946   3.448
  322   2HA   GLY  47          2HA       GLY  47  -5.227   3.630   3.027
  323    H    ASN  48           H        ASN  48  -3.854   4.111   0.123
  324    HA   ASN  48           HA       ASN  48  -1.736   2.077   0.509
  325   1HB   ASN  48          1HB       ASN  48  -3.379   1.972  -1.402
  326   2HB   ASN  48          2HB       ASN  48  -2.640   3.424  -2.039
  327   1HD2  ASN  48          1HD2      ASN  48  -2.532   1.431  -3.659
  328   2HD2  ASN  48          2HD2      ASN  48  -1.015   0.534  -3.743
  329    H    ASN  49           H        ASN  49  -0.768   3.494   2.002
  330    HA   ASN  49           HA       ASN  49   1.247   5.292   0.839
  331   1HB   ASN  49          1HB       ASN  49  -0.816   6.640   1.443
  332   2HB   ASN  49          2HB       ASN  49  -0.695   6.036   3.095
  333   1HD2  ASN  49          1HD2      ASN  49  -0.450   8.813   1.829
  334   2HD2  ASN  49          2HD2      ASN  49   1.042   9.446   2.458
  335    H    PHE  50           H        PHE  50   2.958   4.193   1.562
  336    HA   PHE  50           HA       PHE  50   2.976   2.959   4.265
  337   1HB   PHE  50          1HB       PHE  50   4.290   2.081   1.673
  338   2HB   PHE  50          2HB       PHE  50   4.561   1.283   3.156
  339    HD1  PHE  50           1HD      PHE  50   2.713   1.076   0.241
  340    HD2  PHE  50           2HD      PHE  50   2.124   0.762   4.500
  341    HE1  PHE  50           1HE      PHE  50   0.695  -0.329  -0.123
  342    HE2  PHE  50           2HE      PHE  50   0.093  -0.584   4.118
  343    HZ   PHE  50           HZ       PHE  50  -0.641  -1.103   1.804
  344    H    HIS  51           H        HIS  51   5.257   2.647   5.064
  345    HA   HIS  51           HA       HIS  51   6.446   5.381   5.085
  346   1HB   HIS  51          1HB       HIS  51   7.622   2.957   6.530
  347   2HB   HIS  51          2HB       HIS  51   7.573   4.617   7.042
  348    HD1  HIS  51           1HD      HIS  51   6.516   1.504   8.155
  349    HD2  HIS  51           2HD      HIS  51   4.392   5.091   7.320
  350    HE1  HIS  51           1HE      HIS  51   4.310   1.368   9.455
  351    HE2  HIS  51           2HE      HIS  51   3.003   3.542   8.935
  352    H    SER  52           H        SER  52   7.054   2.075   3.917
  353    HA   SER  52           HA       SER  52   9.471   2.779   2.491
  354   1HB   SER  52          1HB       SER  52  10.790   1.075   4.023
  355   2HB   SER  52          2HB       SER  52  10.570   2.741   4.589
  356    HG   SER  52           HG       SER  52   9.899   1.201   6.266
  357    H    ARG  53           H        ARG  53  10.469   0.356   2.005
  358    HA   ARG  53           HA       ARG  53   8.512  -1.076   0.519
  359   1HB   ARG  53          1HB       ARG  53  11.076  -1.045   0.251
  360   2HB   ARG  53          2HB       ARG  53  11.113  -2.207   1.577
  361   1HG   ARG  53          1HG       ARG  53  11.202  -3.463  -0.400
  362   2HG   ARG  53          2HG       ARG  53   9.560  -3.680   0.192
  363   1HD   ARG  53          1HD       ARG  53   8.715  -2.104  -1.493
  364   2HD   ARG  53          2HD       ARG  53  10.323  -1.620  -1.915
  365    HE   ARG  53           HE       ARG  53  10.681  -3.554  -3.158
  366   1HH1  ARG  53          2HH2      ARG  53   7.461  -3.896  -1.618
  367   2HH1  ARG  53          1HH2      ARG  53   7.489  -5.589  -1.917
  368   1HH2  ARG  53          2HH1      ARG  53  10.493  -5.864  -3.505
  369   2HH2  ARG  53          1HH1      ARG  53   9.235  -6.632  -2.567
  370    H    GLU  54           H        GLU  54   9.849  -1.603   3.772
  371    HA   GLU  54           HA       GLU  54   8.907  -3.880   4.815
  372   1HB   GLU  54          1HB       GLU  54  10.246  -2.317   5.977
  373   2HB   GLU  54          2HB       GLU  54   9.250  -0.992   5.560
  374   1HG   GLU  54          1HG       GLU  54   7.756  -2.520   7.481
  375   2HG   GLU  54          2HG       GLU  54   9.419  -2.343   8.053
  376    H    SER  55           H        SER  55   6.987  -0.957   5.302
  377    HA   SER  55           HA       SER  55   4.708  -2.441   6.168
  378   1HB   SER  55          1HB       SER  55   3.609  -0.084   5.931
  379   2HB   SER  55          2HB       SER  55   4.846  -0.402   7.155
  380    HG   SER  55           HG       SER  55   6.283   0.621   6.084
  381    H    CYS  56           H        CYS  56   5.616  -1.285   3.051
  382    HA   CYS  56           HA       CYS  56   3.034  -1.790   1.834
  383   1HB   CYS  56          1HB       CYS  56   5.152  -0.418   1.033
  384   2HB   CYS  56          2HB       CYS  56   5.792  -1.946   0.533
  385    H    GLU  57           H        GLU  57   5.992  -3.659   2.284
  386    HA   GLU  57           HA       GLU  57   4.853  -5.996   0.978
  387   1HB   GLU  57          1HB       GLU  57   7.321  -5.832   2.726
  388   2HB   GLU  57          2HB       GLU  57   6.713  -7.324   1.948
  389   1HG   GLU  57          1HG       GLU  57   6.542  -5.882  -0.214
  390   2HG   GLU  57          2HG       GLU  57   7.578  -4.745   0.595
  391    H    ASP  58           H        ASP  58   4.687  -4.881   4.312
  392    HA   ASP  58           HA       ASP  58   3.369  -7.194   5.343
  393   1HB   ASP  58          1HB       ASP  58   4.136  -5.352   6.778
  394   2HB   ASP  58          2HB       ASP  58   2.951  -4.267   6.067
  395    H    ALA  59           H        ALA  59   2.106  -4.314   3.456
  396    HA   ALA  59           HA       ALA  59  -0.541  -5.533   3.353
  397   1HB   ALA  59          1HB       ALA  59  -0.145  -3.131   3.031
  398   2HB   ALA  59          2HB       ALA  59   0.621  -3.462   1.456
  399   3HB   ALA  59          3HB       ALA  59  -1.094  -3.859   1.728
  400    H    CYS  60           H        CYS  60   2.019  -5.374   0.780
  401    HA   CYS  60           HA       CYS  60   1.400  -7.985  -0.243
  402   1HB   CYS  60          1HB       CYS  60   0.716  -5.492  -1.768
  403   2HB   CYS  60          2HB       CYS  60   1.143  -6.893  -2.622
  404    HA   PRO  61           HA       PRO  61   1.922  -8.679  -2.614
  405   1HB   PRO  61          1HB       PRO  61   3.679 -10.513  -3.639
  406   2HB   PRO  61          2HB       PRO  61   3.425  -8.901  -4.371
  407   1HG   PRO  61          1HG       PRO  61   5.642  -9.766  -2.491
  408   2HG   PRO  61          2HG       PRO  61   5.774  -8.822  -4.008
  409   1HD   PRO  61          1HD       PRO  61   5.685  -7.680  -1.493
  410   2HD   PRO  61          2HD       PRO  61   5.060  -6.858  -2.950
  411    H    VAL  62           H        VAL  62   0.773 -10.025  -1.377
  412    HA   VAL  62           HA       VAL  62   2.078 -12.104   0.220
  413    HB   VAL  62           HB       VAL  62  -0.253 -10.384   1.160
  414   1HG1  VAL  62          1HG1      VAL  62   1.124 -12.729   2.516
  415   2HG1  VAL  62          2HG1      VAL  62   0.122 -11.549   3.379
  416   3HG1  VAL  62          3HG1      VAL  62  -0.618 -12.528   2.136
  417   1HG2  VAL  62          1HG2      VAL  62   2.600 -10.554   2.278
  418   2HG2  VAL  62          2HG2      VAL  62   1.935  -9.164   1.425
  419   3HG2  VAL  62          3HG2      VAL  62   1.272  -9.602   2.975
  420    H    VAL  63           H        VAL  63   0.017 -13.576   0.761
  421    HA   VAL  63           HA       VAL  63  -1.005 -14.520  -1.826
  422    HB   VAL  63           HB       VAL  63  -1.605 -15.495   0.983
  423   1HG1  VAL  63          1HG1      VAL  63  -2.112 -17.677  -0.131
  424   2HG1  VAL  63          2HG1      VAL  63  -3.229 -16.397  -0.590
  425   3HG1  VAL  63          3HG1      VAL  63  -1.929 -16.883  -1.710
  426   1HG2  VAL  63          1HG2      VAL  63   0.821 -15.695   0.639
  427   2HG2  VAL  63          2HG2      VAL  63   0.089 -17.292   0.559
  428   3HG2  VAL  63          3HG2      VAL  63   0.557 -16.461  -0.942
  429    H    ASP  64           H        ASP  64  -3.321 -14.675  -2.192
  430    HA   ASP  64           HA       ASP  64  -4.945 -12.471  -1.959
  431   1HB   ASP  64          1HB       ASP  64  -5.509 -14.227  -3.449
  432   2HB   ASP  64          2HB       ASP  64  -5.577 -15.416  -2.154
  433    H    HIS  65           H        HIS  65  -5.657 -11.410  -0.344
  434    HA   HIS  65           HA       HIS  65  -5.261 -12.204   2.347
  435   1HB   HIS  65          1HB       HIS  65  -6.876  -9.836   1.352
  436   2HB   HIS  65          2HB       HIS  65  -6.042  -9.990   2.888
  437    HD1  HIS  65           1HD      HIS  65  -5.587  -8.891  -0.623
  438    HD2  HIS  65           2HD      HIS  65  -3.253  -9.645   2.844
  439    HE1  HIS  65           1HE      HIS  65  -3.438  -7.481  -0.795
  440    HE2  HIS  65           2HE      HIS  65  -2.023  -7.971   1.260
  441    H    HIS  66           H        HIS  66  -7.867 -13.137   0.412
  442    HA   HIS  66           HA       HIS  66 -10.223 -12.548   1.391
  443   1HB   HIS  66          1HB       HIS  66 -10.934 -14.982   1.101
  444   2HB   HIS  66          2HB       HIS  66 -10.237 -14.109  -0.251
  445    HD1  HIS  66           1HD      HIS  66  -9.026 -15.802  -1.648
  446    HD2  HIS  66           2HD      HIS  66  -7.772 -15.709   2.302
  447    HE1  HIS  66           1HE      HIS  66  -7.115 -17.294  -1.555
  448    HE2  HIS  66           2HE      HIS  66  -6.203 -17.095   0.833
  449    H    HIS  67           H        HIS  67 -10.574 -11.867   3.447
  450    HA   HIS  67           HA       HIS  67  -9.475 -13.207   5.743
  451   1HB   HIS  67          1HB       HIS  67 -11.640 -11.120   5.368
  452   2HB   HIS  67          2HB       HIS  67 -11.270 -11.753   6.955
  453    HD1  HIS  67           1HD      HIS  67  -8.125 -11.170   4.867
  454    HD2  HIS  67           2HD      HIS  67 -10.785  -9.053   7.389
  455    HE1  HIS  67           1HE      HIS  67  -6.907  -9.022   5.568
  456    HE2  HIS  67           2HE      HIS  67  -8.509  -7.731   7.105
  457    H    HIS  68           H        HIS  68 -10.233 -14.988   6.812
  458    HA   HIS  68           HA       HIS  68 -12.687 -16.295   5.925
  459   1HB   HIS  68          1HB       HIS  68 -10.792 -17.614   6.849
  460   2HB   HIS  68          2HB       HIS  68 -10.972 -16.809   8.408
  461    HD1  HIS  68           1HD      HIS  68 -13.985 -17.102   9.139
  462    HD2  HIS  68           2HD      HIS  68 -11.737 -20.016   7.009
  463    HE1  HIS  68           1HE      HIS  68 -15.220 -19.313   9.401
  464    HE2  HIS  68           2HE      HIS  68 -13.853 -21.099   8.113
  465    H    HIS  69           H        HIS  69 -14.297 -14.685   6.177
  466    HA   HIS  69           HA       HIS  69 -14.700 -12.980   8.243
  467   1HB   HIS  69          1HB       HIS  69 -16.033 -13.071   6.149
  468   2HB   HIS  69          2HB       HIS  69 -16.910 -14.482   6.766
  469    HD1  HIS  69           1HD      HIS  69 -16.268 -10.803   7.739
  470    HD2  HIS  69           2HD      HIS  69 -18.884 -14.032   8.532
  471    HE1  HIS  69           1HE      HIS  69 -18.006  -9.990   9.502
  472    HE2  HIS  69           2HE      HIS  69 -19.451 -12.067  10.027
  473    H    HIS  70           H        HIS  70 -16.139 -12.918  10.110
  474    HA   HIS  70           HA       HIS  70 -16.906 -15.403  11.442
  475   1HB   HIS  70          1HB       HIS  70 -14.836 -14.979  12.613
  476   2HB   HIS  70          2HB       HIS  70 -15.044 -13.232  12.504
  477    HD1  HIS  70           1HD      HIS  70 -17.493 -12.478  13.789
  478    HD2  HIS  70           2HD      HIS  70 -15.251 -15.787  15.117
  479    HE1  HIS  70           1HE      HIS  70 -18.134 -12.846  16.315
  480    HE2  HIS  70           2HE      HIS  70 -16.752 -14.894  17.085
  Start of MODEL    5
    1   1H    GLU   1          1H        GLU   1  -8.406  -0.041  -9.731
    2   2H    GLU   1          2H        GLU   1  -8.407  -0.511 -11.305
    3   3H    GLU   1          H         GLU   1  -7.087   0.331 -10.697
    4    HA   GLU   1           HA       GLU   1  -6.411  -1.844 -10.850
    5   1HB   GLU   1          1HB       GLU   1  -7.260  -1.406  -8.011
    6   2HB   GLU   1          2HB       GLU   1  -5.964  -2.450  -8.580
    7   1HG   GLU   1          1HG       GLU   1  -6.033   0.583  -8.543
    8   2HG   GLU   1          2HG       GLU   1  -4.898  -0.480  -7.713
    9    H    ALA   2           H        ALA   2  -7.492  -3.581  -8.635
   10    HA   ALA   2           HA       ALA   2  -9.718  -4.864 -10.174
   11   1HB   ALA   2          1HB       ALA   2  -8.968  -7.000  -9.241
   12   2HB   ALA   2          2HB       ALA   2  -7.639  -6.215 -10.114
   13   3HB   ALA   2          3HB       ALA   2  -7.680  -6.186  -8.331
   14    H    GLU   3           H        GLU   3 -10.209  -2.692  -8.368
   15    HA   GLU   3           HA       GLU   3 -10.633  -3.310  -5.683
   16   1HB   GLU   3          1HB       GLU   3 -12.212  -1.348  -7.402
   17   2HB   GLU   3          2HB       GLU   3 -12.132  -1.388  -5.651
   18   1HG   GLU   3          1HG       GLU   3 -10.690   0.325  -6.109
   19   2HG   GLU   3          2HG       GLU   3  -9.578  -1.021  -5.893
   20    H    ALA   4           H        ALA   4 -12.555  -4.306  -8.381
   21    HA   ALA   4           HA       ALA   4 -15.043  -4.837  -7.055
   22   1HB   ALA   4          1HB       ALA   4 -14.807  -4.679  -9.520
   23   2HB   ALA   4          2HB       ALA   4 -13.816  -6.160  -9.517
   24   3HB   ALA   4          3HB       ALA   4 -15.520  -6.226  -9.028
   25    H    GLU   5           H        GLU   5 -11.966  -6.602  -7.076
   26    HA   GLU   5           HA       GLU   5 -13.188  -9.086  -6.113
   27   1HB   GLU   5          1HB       GLU   5 -10.314  -8.151  -6.355
   28   2HB   GLU   5          2HB       GLU   5 -10.750  -9.546  -5.375
   29   1HG   GLU   5          1HG       GLU   5 -11.344  -9.264  -8.348
   30   2HG   GLU   5          2HG       GLU   5 -10.037 -10.221  -7.637
   31    H    PHE   6           H        PHE   6 -11.177  -6.417  -4.635
   32    HA   PHE   6           HA       PHE   6 -13.060  -6.346  -2.469
   33   1HB   PHE   6          1HB       PHE   6 -11.386  -8.298  -1.916
   34   2HB   PHE   6          2HB       PHE   6 -10.207  -7.027  -1.658
   35    HD1  PHE   6           1HD      PHE   6 -13.509  -8.383  -0.586
   36    HD2  PHE   6           2HD      PHE   6 -10.319  -5.651   0.409
   37    HE1  PHE   6           1HE      PHE   6 -14.400  -8.156   1.724
   38    HE2  PHE   6           2HE      PHE   6 -11.220  -5.409   2.674
   39    HZ   PHE   6           HZ       PHE   6 -13.254  -6.676   3.359
   40    H    THR   7           H        THR   7 -13.073  -4.234  -1.725
   41    HA   THR   7           HA       THR   7 -11.122  -2.385  -2.863
   42    HB   THR   7           HB       THR   7 -13.315  -1.820  -0.829
   43    HG1  THR   7           1HG      THR   7 -13.494  -2.526  -3.519
   44   1HG2  THR   7          1HG2      THR   7 -12.060  -0.144  -3.058
   45   2HG2  THR   7          2HG2      THR   7 -13.355   0.378  -1.960
   46   3HG2  THR   7          3HG2      THR   7 -11.739   0.031  -1.315
   47    H    ASP   8           H        ASP   8  -9.188  -2.967  -2.013
   48    HA   ASP   8           HA       ASP   8  -8.739  -3.173   0.945
   49   1HB   ASP   8          1HB       ASP   8  -8.545  -5.276  -0.685
   50   2HB   ASP   8          2HB       ASP   8  -7.087  -4.469  -1.212
   51    H    ALA   9           H        ALA   9  -6.618  -2.325   1.577
   52    HA   ALA   9           HA       ALA   9  -5.876   0.115   0.149
   53   1HB   ALA   9          1HB       ALA   9  -4.416  -1.439   2.338
   54   2HB   ALA   9          2HB       ALA   9  -3.975   0.171   1.738
   55   3HB   ALA   9          3HB       ALA   9  -5.514  -0.059   2.589
   56    H    CYS  10           H        CYS  10  -4.876  -3.269   0.311
   57    HA   CYS  10           HA       CYS  10  -2.465  -2.960  -1.326
   58   1HB   CYS  10          1HB       CYS  10  -2.536  -4.723   0.240
   59   2HB   CYS  10          2HB       CYS  10  -4.110  -5.282  -0.298
   60    H    VAL  11           H        VAL  11  -5.871  -3.030  -2.082
   61    HA   VAL  11           HA       VAL  11  -5.266  -3.739  -4.903
   62    HB   VAL  11           HB       VAL  11  -7.893  -3.779  -3.398
   63   1HG1  VAL  11          1HG1      VAL  11  -8.770  -4.902  -5.455
   64   2HG1  VAL  11          2HG1      VAL  11  -8.354  -3.215  -5.734
   65   3HG1  VAL  11          3HG1      VAL  11  -7.258  -4.493  -6.303
   66   1HG2  VAL  11          1HG2      VAL  11  -6.184  -5.994  -4.620
   67   2HG2  VAL  11          2HG2      VAL  11  -6.364  -5.721  -2.882
   68   3HG2  VAL  11          3HG2      VAL  11  -7.762  -6.230  -3.826
   69    H    LEU  12           H        LEU  12  -5.319  -0.968  -2.922
   70    HA   LEU  12           HA       LEU  12  -6.904   0.591  -4.868
   71   1HB   LEU  12          1HB       LEU  12  -7.715   0.870  -2.791
   72   2HB   LEU  12          2HB       LEU  12  -6.131   0.820  -1.999
   73    HG   LEU  12           HG       LEU  12  -5.903   3.183  -3.288
   74   1HD1  LEU  12          1HD1      LEU  12  -8.367   2.870  -4.144
   75   2HD1  LEU  12          2HD1      LEU  12  -8.851   3.113  -2.477
   76   3HD1  LEU  12          3HD1      LEU  12  -7.973   4.401  -3.349
   77   1HD2  LEU  12          1HD2      LEU  12  -6.515   4.232  -1.225
   78   2HD2  LEU  12          2HD2      LEU  12  -7.315   2.743  -0.643
   79   3HD2  LEU  12          3HD2      LEU  12  -5.557   2.786  -0.917
   80    HA   PRO  13           HA       PRO  13  -3.088   2.135  -6.486
   81   1HB   PRO  13          1HB       PRO  13  -3.977   4.493  -7.700
   82   2HB   PRO  13          2HB       PRO  13  -4.076   2.851  -8.373
   83   1HG   PRO  13          1HG       PRO  13  -6.226   4.529  -7.154
   84   2HG   PRO  13          2HG       PRO  13  -6.377   3.211  -8.352
   85   1HD   PRO  13          1HD       PRO  13  -6.852   3.088  -5.548
   86   2HD   PRO  13          2HD       PRO  13  -6.806   1.693  -6.632
   87    H    ALA  14           H        ALA  14  -1.731   4.118  -6.526
   88    HA   ALA  14           HA       ALA  14  -1.438   5.111  -3.779
   89   1HB   ALA  14          1HB       ALA  14   0.509   4.421  -5.208
   90   2HB   ALA  14          2HB       ALA  14   0.174   5.789  -6.288
   91   3HB   ALA  14          3HB       ALA  14   0.642   6.087  -4.600
   92    H    VAL  15           H        VAL  15  -2.699   6.840  -3.128
   93    HA   VAL  15           HA       VAL  15  -3.481   8.882  -5.131
   94    HB   VAL  15           HB       VAL  15  -4.281   8.683  -2.242
   95   1HG1  VAL  15          1HG1      VAL  15  -4.616  10.924  -3.065
   96   2HG1  VAL  15          2HG1      VAL  15  -5.457  10.315  -4.519
   97   3HG1  VAL  15          3HG1      VAL  15  -6.178  10.141  -2.905
   98   1HG2  VAL  15          1HG2      VAL  15  -5.684   7.672  -4.764
   99   2HG2  VAL  15          2HG2      VAL  15  -5.167   6.692  -3.372
  100   3HG2  VAL  15          3HG2      VAL  15  -6.502   7.840  -3.204
  101    H    GLN  16           H        GLN  16  -2.542  10.694  -5.205
  102    HA   GLN  16           HA       GLN  16  -0.121  11.272  -3.604
  103   1HB   GLN  16          1HB       GLN  16  -1.304  12.805  -5.959
  104   2HB   GLN  16          2HB       GLN  16   0.230  13.153  -5.152
  105   1HG   GLN  16          1HG       GLN  16   0.964  10.776  -5.740
  106   2HG   GLN  16          2HG       GLN  16  -0.466  10.676  -6.775
  107   1HE2  GLN  16          1HE2      GLN  16   2.684  12.246  -6.307
  108   2HE2  GLN  16          2HE2      GLN  16   2.729  12.985  -7.917
  109    H    GLY  17           H        GLY  17  -3.444  12.415  -3.756
  110   1HA   GLY  17          1HA       GLY  17  -4.538  13.685  -2.185
  111   2HA   GLY  17          2HA       GLY  17  -2.993  14.165  -1.455
  112    HA   PRO  18           HA       PRO  18  -4.629  17.456  -4.392
  113   1HB   PRO  18          1HB       PRO  18  -5.754  19.313  -2.748
  114   2HB   PRO  18          2HB       PRO  18  -6.601  17.824  -3.258
  115   1HG   PRO  18          1HG       PRO  18  -5.135  18.338  -0.660
  116   2HG   PRO  18          2HG       PRO  18  -6.750  17.612  -0.888
  117   1HD   PRO  18          1HD       PRO  18  -4.489  16.085  -0.548
  118   2HD   PRO  18          2HD       PRO  18  -5.855  15.557  -1.564
  119    H    CYS  19           H        CYS  19  -2.653  17.924  -1.422
  120    HA   CYS  19           HA       CYS  19  -1.863  20.570  -2.239
  121   1HB   CYS  19          1HB       CYS  19  -0.476  18.888  -0.161
  122   2HB   CYS  19          2HB       CYS  19  -0.495  20.623  -0.277
  123    H    ARG  20           H        ARG  20   0.322  21.240  -2.366
  124    HA   ARG  20           HA       ARG  20   1.891  19.589  -4.313
  125   1HB   ARG  20          1HB       ARG  20   1.281  22.516  -4.234
  126   2HB   ARG  20          2HB       ARG  20   2.736  21.949  -5.006
  127   1HG   ARG  20          1HG       ARG  20   0.817  22.381  -6.543
  128   2HG   ARG  20          2HG       ARG  20   1.589  20.823  -6.719
  129   1HD   ARG  20          1HD       ARG  20  -1.061  21.187  -5.274
  130   2HD   ARG  20          2HD       ARG  20  -0.907  20.886  -7.009
  131    HE   ARG  20           HE       ARG  20   0.378  19.020  -5.117
  132   1HH1  ARG  20          2HH2      ARG  20  -2.365  19.431  -7.319
  133   2HH1  ARG  20          1HH2      ARG  20  -2.908  17.799  -7.111
  134   1HH2  ARG  20          2HH1      ARG  20  -0.451  17.111  -4.660
  135   2HH2  ARG  20          1HH1      ARG  20  -1.818  16.427  -5.428
  136    H    GLY  21           H        GLY  21   2.098  20.057  -1.285
  137   1HA   GLY  21          1HA       GLY  21   5.000  20.768  -1.071
  138   2HA   GLY  21          2HA       GLY  21   3.932  20.220   0.276
  139    H    TRP  22           H        TRP  22   6.437  18.517  -0.286
  140    HA   TRP  22           HA       TRP  22   5.134  16.229  -1.533
  141   1HB   TRP  22          1HB       TRP  22   7.839  17.332  -2.340
  142   2HB   TRP  22          2HB       TRP  22   7.157  15.815  -2.868
  143    HD1  TRP  22           HD       TRP  22   7.896  18.867  -4.292
  144    HE1  TRP  22           1HE      TRP  22   6.336  19.660  -6.144
  145    HE3  TRP  22           3HE      TRP  22   3.844  15.870  -3.322
  146    HZ2  TRP  22           2HZ      TRP  22   3.740  18.973  -7.199
  147    HZ3  TRP  22           3HZ      TRP  22   1.861  15.937  -4.781
  148    HH2  TRP  22           HH       TRP  22   1.798  17.471  -6.752
  149    H    GLU  23           H        GLU  23   5.482  14.627  -0.518
  150    HA   GLU  23           HA       GLU  23   7.526  14.194   1.610
  151   1HB   GLU  23          1HB       GLU  23   5.535  14.848   2.676
  152   2HB   GLU  23          2HB       GLU  23   4.515  14.015   1.517
  153   1HG   GLU  23          1HG       GLU  23   4.248  12.873   3.485
  154   2HG   GLU  23          2HG       GLU  23   5.210  11.845   2.438
  155    HA   PRO  24           HA       PRO  24   7.978  10.459  -1.193
  156   1HB   PRO  24          1HB       PRO  24  10.205   9.435  -0.040
  157   2HB   PRO  24          2HB       PRO  24  10.256  10.869  -1.110
  158   1HG   PRO  24          1HG       PRO  24  10.257  10.807   1.922
  159   2HG   PRO  24          2HG       PRO  24  11.321  11.750   0.832
  160   1HD   PRO  24          1HD       PRO  24   9.109  12.817   2.006
  161   2HD   PRO  24          2HD       PRO  24   9.613  13.305   0.364
  162    H    ARG  25           H        ARG  25   6.571   9.040  -0.942
  163    HA   ARG  25           HA       ARG  25   6.445   7.421   1.552
  164   1HB   ARG  25          1HB       ARG  25   4.171   8.353  -0.252
  165   2HB   ARG  25          2HB       ARG  25   3.971   7.126   0.996
  166   1HG   ARG  25          1HG       ARG  25   4.847   9.988   1.469
  167   2HG   ARG  25          2HG       ARG  25   3.224   9.351   1.703
  168   1HD   ARG  25          1HD       ARG  25   4.078   7.815   3.473
  169   2HD   ARG  25          2HD       ARG  25   5.686   8.470   3.236
  170    HE   ARG  25           HE       ARG  25   5.143  10.448   4.298
  171   1HH1  ARG  25          2HH2      ARG  25   2.178   8.531   4.100
  172   2HH1  ARG  25          1HH2      ARG  25   1.322   9.480   5.266
  173   1HH2  ARG  25          2HH1      ARG  25   4.130  11.685   5.698
  174   2HH2  ARG  25          1HH1      ARG  25   2.482  11.416   6.223
  175    H    TRP  26           H        TRP  26   5.067   5.392   0.825
  176    HA   TRP  26           HA       TRP  26   6.071   4.188  -1.673
  177   1HB   TRP  26          1HB       TRP  26   6.304   3.206   1.198
  178   2HB   TRP  26          2HB       TRP  26   6.210   2.073  -0.138
  179    HD1  TRP  26           HD       TRP  26   8.499   4.890   1.196
  180    HE1  TRP  26           1HE      TRP  26  10.894   4.370   0.533
  181    HE3  TRP  26           3HE      TRP  26   7.624   0.800  -1.685
  182    HZ2  TRP  26           2HZ      TRP  26  12.238   2.618  -1.424
  183    HZ3  TRP  26           3HZ      TRP  26   9.349   0.089  -3.356
  184    HH2  TRP  26           HH       TRP  26  11.670   0.790  -3.064
  185    H    ALA  27           H        ALA  27   4.451   2.799  -2.577
  186    HA   ALA  27           HA       ALA  27   2.063   2.212  -0.977
  187   1HB   ALA  27          1HB       ALA  27   1.258   4.257  -1.983
  188   2HB   ALA  27          2HB       ALA  27   1.938   3.803  -3.573
  189   3HB   ALA  27          3HB       ALA  27   0.561   2.920  -2.891
  190    H    TYR  28           H        TYR  28   0.986   0.435  -1.769
  191    HA   TYR  28           HA       TYR  28   2.556  -1.345  -3.471
  192   1HB   TYR  28          1HB       TYR  28   1.346  -2.174  -1.453
  193   2HB   TYR  28          2HB       TYR  28  -0.177  -1.689  -2.179
  194    HD1  TYR  28           1HD      TYR  28  -1.155  -2.900  -3.990
  195    HD2  TYR  28           2HD      TYR  28   2.674  -4.094  -2.451
  196    HE1  TYR  28           1HE      TYR  28  -1.349  -5.029  -5.198
  197    HE2  TYR  28           2HE      TYR  28   2.541  -6.206  -3.725
  198    HH   TYR  28           HH       TYR  28   1.309  -7.450  -5.319
  199    H    SER  29           H        SER  29   2.081  -1.903  -5.609
  200    HA   SER  29           HA       SER  29  -0.314  -0.645  -6.850
  201   1HB   SER  29          1HB       SER  29   2.563  -0.780  -7.695
  202   2HB   SER  29          2HB       SER  29   1.339  -0.591  -8.918
  203    HG   SER  29           HG       SER  29   0.874   0.902  -6.666
  204    HA   PRO  30           HA       PRO  30  -0.843  -5.109  -7.423
  205   1HB   PRO  30          1HB       PRO  30  -3.402  -5.048  -8.459
  206   2HB   PRO  30          2HB       PRO  30  -3.030  -5.044  -6.707
  207   1HG   PRO  30          1HG       PRO  30  -3.686  -2.751  -8.519
  208   2HG   PRO  30          2HG       PRO  30  -4.259  -3.025  -6.848
  209   1HD   PRO  30          1HD       PRO  30  -2.242  -1.286  -7.446
  210   2HD   PRO  30          2HD       PRO  30  -2.243  -2.233  -5.930
  211    H    LEU  31           H        LEU  31  -1.606  -2.535  -9.871
  212    HA   LEU  31           HA       LEU  31  -1.316  -4.182 -12.130
  213   1HB   LEU  31          1HB       LEU  31  -0.956  -1.250 -11.639
  214   2HB   LEU  31          2HB       LEU  31  -0.527  -1.942 -13.200
  215    HG   LEU  31           HG       LEU  31  -3.248  -2.363 -11.911
  216   1HD1  LEU  31          1HD1      LEU  31  -2.375  -0.357 -14.052
  217   2HD1  LEU  31          2HD1      LEU  31  -4.042  -0.609 -13.454
  218   3HD1  LEU  31          3HD1      LEU  31  -2.813   0.033 -12.366
  219   1HD2  LEU  31          1HD2      LEU  31  -2.793  -4.056 -13.630
  220   2HD2  LEU  31          2HD2      LEU  31  -3.949  -2.888 -14.259
  221   3HD2  LEU  31          3HD2      LEU  31  -2.248  -2.802 -14.764
  222    H    LEU  32           H        LEU  32   1.119  -3.052  -9.922
  223    HA   LEU  32           HA       LEU  32   3.340  -3.933 -11.712
  224   1HB   LEU  32          1HB       LEU  32   3.104  -2.132  -9.306
  225   2HB   LEU  32          2HB       LEU  32   4.656  -2.787  -9.721
  226    HG   LEU  32           HG       LEU  32   2.992  -1.194 -11.715
  227   1HD1  LEU  32          1HD1      LEU  32   4.525   0.694 -11.216
  228   2HD1  LEU  32          2HD1      LEU  32   3.515   0.256  -9.838
  229   3HD1  LEU  32          3HD1      LEU  32   5.230  -0.244  -9.878
  230   1HD2  LEU  32          1HD2      LEU  32   5.946  -1.989 -11.682
  231   2HD2  LEU  32          2HD2      LEU  32   4.702  -2.618 -12.779
  232   3HD2  LEU  32          3HD2      LEU  32   5.178  -0.927 -12.885
  233    H    GLN  33           H        GLN  33   1.269  -5.029  -9.473
  234    HA   GLN  33           HA       GLN  33   0.982  -6.537  -7.915
  235   1HB   GLN  33          1HB       GLN  33   1.762  -7.770 -10.046
  236   2HB   GLN  33          2HB       GLN  33   3.283  -8.021  -9.209
  237   1HG   GLN  33          1HG       GLN  33   0.554  -9.080  -8.481
  238   2HG   GLN  33          2HG       GLN  33   1.874  -9.998  -9.173
  239   1HE2  GLN  33          1HE2      GLN  33   3.913 -10.212  -7.669
  240   2HE2  GLN  33          2HE2      GLN  33   3.518 -10.418  -5.973
  241    H    GLN  34           H        GLN  34   3.038  -4.294  -7.349
  242    HA   GLN  34           HA       GLN  34   4.168  -5.386  -4.913
  243   1HB   GLN  34          1HB       GLN  34   5.723  -6.230  -6.831
  244   2HB   GLN  34          2HB       GLN  34   6.254  -4.546  -6.941
  245   1HG   GLN  34          1HG       GLN  34   7.090  -4.624  -4.636
  246   2HG   GLN  34          2HG       GLN  34   6.332  -6.201  -4.389
  247   1HE2  GLN  34          1HE2      GLN  34   8.060  -7.538  -4.133
  248   2HE2  GLN  34          2HE2      GLN  34   9.262  -7.881  -5.370
  249    H    CYS  35           H        CYS  35   5.648  -3.731  -3.865
  250    HA   CYS  35           HA       CYS  35   4.388  -1.101  -4.064
  251   1HB   CYS  35          1HB       CYS  35   6.473  -2.246  -2.182
  252   2HB   CYS  35          2HB       CYS  35   5.868  -0.600  -2.102
  253    H    HIS  36           H        HIS  36   5.300   0.765  -4.301
  254    HA   HIS  36           HA       HIS  36   8.152   0.965  -5.098
  255   1HB   HIS  36          1HB       HIS  36   7.699   2.252  -7.114
  256   2HB   HIS  36          2HB       HIS  36   6.944   0.674  -7.223
  257    HD1  HIS  36           1HD      HIS  36   5.965   4.379  -6.583
  258    HD2  HIS  36           2HD      HIS  36   4.239   0.614  -7.572
  259    HE1  HIS  36           1HE      HIS  36   3.492   4.795  -7.178
  260    HE2  HIS  36           2HE      HIS  36   2.499   2.437  -7.751
  261    HA   PRO  37           HA       PRO  37   7.766   4.745  -2.708
  262   1HB   PRO  37          1HB       PRO  37   9.718   6.298  -4.094
  263   2HB   PRO  37          2HB       PRO  37   9.952   5.332  -2.616
  264   1HG   PRO  37          1HG       PRO  37  11.004   4.774  -5.244
  265   2HG   PRO  37          2HG       PRO  37  11.130   3.769  -3.775
  266   1HD   PRO  37          1HD       PRO  37   9.344   3.443  -6.085
  267   2HD   PRO  37          2HD       PRO  37   9.830   2.266  -4.844
  268    H    PHE  38           H        PHE  38   7.103   7.195  -3.050
  269    HA   PHE  38           HA       PHE  38   6.618   7.993  -5.730
  270   1HB   PHE  38          1HB       PHE  38   4.290   8.044  -5.893
  271   2HB   PHE  38          2HB       PHE  38   4.658   6.406  -5.438
  272    HD1  PHE  38           1HD      PHE  38   4.507   5.922  -2.755
  273    HD2  PHE  38           2HD      PHE  38   2.494   9.106  -4.866
  274    HE1  PHE  38           1HE      PHE  38   2.725   5.995  -1.014
  275    HE2  PHE  38           2HE      PHE  38   0.733   9.126  -3.144
  276    HZ   PHE  38           HZ       PHE  38   0.840   7.562  -1.206
  277    H    VAL  39           H        VAL  39   5.540  10.126  -5.772
  278    HA   VAL  39           HA       VAL  39   6.348  11.771  -3.461
  279    HB   VAL  39           HB       VAL  39   5.533  12.356  -6.347
  280   1HG1  VAL  39          1HG1      VAL  39   6.173  14.282  -4.089
  281   2HG1  VAL  39          2HG1      VAL  39   6.161  14.740  -5.807
  282   3HG1  VAL  39          3HG1      VAL  39   4.677  14.177  -5.036
  283   1HG2  VAL  39          1HG2      VAL  39   7.854  13.200  -6.538
  284   2HG2  VAL  39          2HG2      VAL  39   8.170  12.733  -4.855
  285   3HG2  VAL  39          3HG2      VAL  39   7.840  11.493  -6.085
  286    H    TYR  40           H        TYR  40   4.820  11.989  -1.934
  287    HA   TYR  40           HA       TYR  40   1.936  12.042  -2.648
  288   1HB   TYR  40          1HB       TYR  40   2.279  10.196  -1.242
  289   2HB   TYR  40          2HB       TYR  40   3.556  10.971  -0.352
  290    HD1  TYR  40           1HD      TYR  40   3.181  11.677   1.748
  291    HD2  TYR  40           2HD      TYR  40  -0.194  11.437  -0.910
  292    HE1  TYR  40           1HE      TYR  40   1.673  12.091   3.660
  293    HE2  TYR  40           2HE      TYR  40  -1.682  12.038   1.001
  294    HH   TYR  40           HH       TYR  40  -1.578  12.900   3.293
  295    H    GLY  41           H        GLY  41   0.733  13.752  -1.511
  296   1HA   GLY  41          1HA       GLY  41   2.329  16.142  -1.434
  297   2HA   GLY  41          2HA       GLY  41   0.608  16.061  -1.500
  298    H    GLY  42           H        GLY  42   1.576  14.068   1.015
  299   1HA   GLY  42          1HA       GLY  42   1.971  14.228   3.224
  300   2HA   GLY  42          2HA       GLY  42   2.276  15.961   3.093
  301    H    CYS  43           H        CYS  43  -0.304  16.637   1.980
  302    HA   CYS  43           HA       CYS  43  -2.034  16.485   4.318
  303   1HB   CYS  43          1HB       CYS  43  -3.320  18.127   3.295
  304   2HB   CYS  43          2HB       CYS  43  -1.664  18.528   2.917
  305    H    GLU  44           H        GLU  44  -4.552  16.231   3.267
  306    HA   GLU  44           HA       GLU  44  -5.327  13.754   3.662
  307   1HB   GLU  44          1HB       GLU  44  -6.524  15.326   1.373
  308   2HB   GLU  44          2HB       GLU  44  -7.276  14.054   2.329
  309   1HG   GLU  44          1HG       GLU  44  -8.158  15.947   3.276
  310   2HG   GLU  44          2HG       GLU  44  -6.856  15.566   4.389
  311    H    GLY  45           H        GLY  45  -5.320  11.712   2.803
  312   1HA   GLY  45          1HA       GLY  45  -5.297  11.062   0.055
  313   2HA   GLY  45          2HA       GLY  45  -3.693  10.784   0.780
  314    H    ASN  46           H        ASN  46  -4.784   8.505   0.035
  315    HA   ASN  46           HA       ASN  46  -6.606   7.479   2.110
  316   1HB   ASN  46          1HB       ASN  46  -5.558   6.004  -0.305
  317   2HB   ASN  46          2HB       ASN  46  -6.891   5.531   0.727
  318   1HD2  ASN  46          1HD2      ASN  46  -8.351   5.315  -1.137
  319   2HD2  ASN  46          2HD2      ASN  46  -8.989   6.810  -1.793
  320    H    GLY  47           H        GLY  47  -6.113   4.964   2.359
  321   1HA   GLY  47          1HA       GLY  47  -3.944   4.925   4.285
  322   2HA   GLY  47          2HA       GLY  47  -5.116   3.645   3.996
  323    H    ASN  48           H        ASN  48  -3.910   4.031   0.944
  324    HA   ASN  48           HA       ASN  48  -1.865   1.898   1.355
  325   1HB   ASN  48          1HB       ASN  48  -3.448   1.655  -0.583
  326   2HB   ASN  48          2HB       ASN  48  -2.854   3.183  -1.228
  327   1HD2  ASN  48          1HD2      ASN  48  -2.474   1.368  -3.026
  328   2HD2  ASN  48          2HD2      ASN  48  -0.878   0.737  -3.080
  329    H    ASN  49           H        ASN  49  -0.626   3.426   2.715
  330    HA   ASN  49           HA       ASN  49   1.160   5.153   1.135
  331   1HB   ASN  49          1HB       ASN  49  -0.993   6.421   1.670
  332   2HB   ASN  49          2HB       ASN  49  -0.592   6.268   3.377
  333   1HD2  ASN  49          1HD2      ASN  49  -0.790   8.625   1.438
  334   2HD2  ASN  49          2HD2      ASN  49   0.703   9.498   1.658
  335    H    PHE  50           H        PHE  50   3.055   4.454   1.866
  336    HA   PHE  50           HA       PHE  50   3.592   3.800   4.731
  337   1HB   PHE  50          1HB       PHE  50   4.519   2.520   2.103
  338   2HB   PHE  50          2HB       PHE  50   5.162   2.035   3.596
  339    HD1  PHE  50           1HD      PHE  50   2.232   1.947   1.357
  340    HD2  PHE  50           2HD      PHE  50   3.751   0.678   5.194
  341    HE1  PHE  50           1HE      PHE  50   0.353   0.357   1.578
  342    HE2  PHE  50           2HE      PHE  50   1.881  -0.929   5.391
  343    HZ   PHE  50           HZ       PHE  50   0.150  -1.053   3.610
  344    H    HIS  51           H        HIS  51   6.104   3.850   5.111
  345    HA   HIS  51           HA       HIS  51   7.420   5.901   3.446
  346   1HB   HIS  51          1HB       HIS  51   7.626   5.534   6.389
  347   2HB   HIS  51          2HB       HIS  51   8.991   6.111   5.494
  348    HD1  HIS  51           1HD      HIS  51   8.380   8.408   3.832
  349    HD2  HIS  51           2HD      HIS  51   6.227   7.521   7.390
  350    HE1  HIS  51           1HE      HIS  51   7.789  10.618   4.882
  351    HE2  HIS  51           2HE      HIS  51   6.337  10.170   6.889
  352    H    SER  52           H        SER  52   7.516   2.534   4.024
  353    HA   SER  52           HA       SER  52  10.299   2.595   3.000
  354   1HB   SER  52          1HB       SER  52  10.629   0.614   4.631
  355   2HB   SER  52          2HB       SER  52  10.746   2.261   5.246
  356    HG   SER  52           HG       SER  52   9.311   0.539   6.381
  357    H    ARG  53           H        ARG  53  10.966   0.634   2.106
  358    HA   ARG  53           HA       ARG  53   9.030  -0.582   0.313
  359   1HB   ARG  53          1HB       ARG  53  11.375  -0.262  -0.307
  360   2HB   ARG  53          2HB       ARG  53  11.897  -1.289   1.026
  361   1HG   ARG  53          1HG       ARG  53  11.942  -2.435  -1.090
  362   2HG   ARG  53          2HG       ARG  53  10.857  -3.231   0.040
  363   1HD   ARG  53          1HD       ARG  53   8.927  -2.204  -1.217
  364   2HD   ARG  53          2HD       ARG  53  10.045  -1.524  -2.362
  365    HE   ARG  53           HE       ARG  53  10.087  -4.425  -1.695
  366   1HH1  ARG  53          2HH2      ARG  53   9.112  -2.372  -4.482
  367   2HH1  ARG  53          1HH2      ARG  53   9.580  -3.638  -5.566
  368   1HH2  ARG  53          2HH1      ARG  53  10.350  -5.899  -3.051
  369   2HH2  ARG  53          1HH1      ARG  53  10.243  -5.697  -4.780
  370    H    GLU  54           H        GLU  54  10.811  -1.596   3.184
  371    HA   GLU  54           HA       GLU  54  10.010  -4.121   3.809
  372   1HB   GLU  54          1HB       GLU  54  11.672  -3.010   4.966
  373   2HB   GLU  54          2HB       GLU  54  10.821  -1.544   5.126
  374   1HG   GLU  54          1HG       GLU  54   9.523  -3.545   6.811
  375   2HG   GLU  54          2HG       GLU  54  11.274  -3.553   7.082
  376    H    SER  55           H        SER  55   8.477  -1.419   5.492
  377    HA   SER  55           HA       SER  55   6.290  -2.769   6.376
  378   1HB   SER  55          1HB       SER  55   5.104  -0.549   6.572
  379   2HB   SER  55          2HB       SER  55   6.761  -0.555   7.194
  380    HG   SER  55           HG       SER  55   7.433   0.670   5.614
  381    H    CYS  56           H        CYS  56   6.551  -1.359   3.211
  382    HA   CYS  56           HA       CYS  56   3.760  -1.696   2.534
  383   1HB   CYS  56          1HB       CYS  56   5.681  -0.123   1.601
  384   2HB   CYS  56          2HB       CYS  56   6.134  -1.484   0.623
  385    H    GLU  57           H        GLU  57   6.732  -3.519   1.886
  386    HA   GLU  57           HA       GLU  57   5.341  -5.586   0.411
  387   1HB   GLU  57          1HB       GLU  57   8.114  -5.636   1.566
  388   2HB   GLU  57          2HB       GLU  57   7.334  -7.016   0.762
  389   1HG   GLU  57          1HG       GLU  57   6.750  -5.141  -1.101
  390   2HG   GLU  57          2HG       GLU  57   8.165  -4.378  -0.412
  391    H    ASP  58           H        ASP  58   5.954  -5.101   3.860
  392    HA   ASP  58           HA       ASP  58   4.928  -7.625   4.728
  393   1HB   ASP  58          1HB       ASP  58   6.110  -6.150   6.252
  394   2HB   ASP  58          2HB       ASP  58   4.901  -4.890   6.057
  395    H    ALA  59           H        ALA  59   3.259  -4.467   3.915
  396    HA   ALA  59           HA       ALA  59   0.670  -5.569   4.449
  397   1HB   ALA  59          1HB       ALA  59  -0.217  -3.724   3.125
  398   2HB   ALA  59          2HB       ALA  59   1.086  -3.169   4.200
  399   3HB   ALA  59          3HB       ALA  59   1.391  -3.379   2.460
  400    H    CYS  60           H        CYS  60   2.457  -5.407   1.304
  401    HA   CYS  60           HA       CYS  60   1.497  -7.923   0.439
  402   1HB   CYS  60          1HB       CYS  60   0.430  -5.438  -0.868
  403   2HB   CYS  60          2HB       CYS  60   0.686  -6.812  -1.803
  404    HA   PRO  61           HA       PRO  61   1.519  -8.499  -2.202
  405   1HB   PRO  61          1HB       PRO  61   3.059 -10.415  -3.418
  406   2HB   PRO  61          2HB       PRO  61   2.799  -8.776  -4.091
  407   1HG   PRO  61          1HG       PRO  61   5.156  -9.748  -2.442
  408   2HG   PRO  61          2HG       PRO  61   5.185  -8.840  -3.989
  409   1HD   PRO  61          1HD       PRO  61   5.409  -7.617  -1.538
  410   2HD   PRO  61          2HD       PRO  61   4.600  -6.828  -2.920
  411    H    VAL  62           H        VAL  62   0.408  -9.959  -1.258
  412    HA   VAL  62           HA       VAL  62   1.543 -12.135   0.371
  413    HB   VAL  62           HB       VAL  62  -0.780 -10.280   1.036
  414   1HG1  VAL  62          1HG1      VAL  62  -0.977 -11.630   3.187
  415   2HG1  VAL  62          2HG1      VAL  62  -1.671 -12.368   1.759
  416   3HG1  VAL  62          3HG1      VAL  62  -0.073 -12.919   2.373
  417   1HG2  VAL  62          1HG2      VAL  62   1.706 -11.040   2.663
  418   2HG2  VAL  62          2HG2      VAL  62   1.559  -9.550   1.745
  419   3HG2  VAL  62          3HG2      VAL  62   0.486  -9.822   3.097
  420    H    VAL  63           H        VAL  63  -0.970 -13.447   0.512
  421    HA   VAL  63           HA       VAL  63  -1.036 -14.784  -1.959
  422    HB   VAL  63           HB       VAL  63  -3.480 -14.659  -0.202
  423   1HG1  VAL  63          1HG1      VAL  63  -2.215 -16.908  -1.818
  424   2HG1  VAL  63          2HG1      VAL  63  -3.681 -17.050  -0.828
  425   3HG1  VAL  63          3HG1      VAL  63  -3.684 -15.996  -2.242
  426   1HG2  VAL  63          1HG2      VAL  63  -2.481 -16.547   1.154
  427   2HG2  VAL  63          2HG2      VAL  63  -0.921 -16.235   0.364
  428   3HG2  VAL  63          3HG2      VAL  63  -1.666 -15.012   1.418
  429    H    ASP  64           H        ASP  64  -2.320 -14.660  -3.734
  430    HA   ASP  64           HA       ASP  64  -2.728 -12.113  -4.717
  431   1HB   ASP  64          1HB       ASP  64  -2.273 -13.995  -6.161
  432   2HB   ASP  64          2HB       ASP  64  -3.878 -14.665  -5.846
  433    H    HIS  65           H        HIS  65  -4.099 -10.827  -4.888
  434    HA   HIS  65           HA       HIS  65  -5.817  -9.781  -3.265
  435   1HB   HIS  65          1HB       HIS  65  -5.919  -9.356  -6.272
  436   2HB   HIS  65          2HB       HIS  65  -6.250  -8.166  -5.031
  437    HD1  HIS  65           1HD      HIS  65  -3.317  -9.995  -6.716
  438    HD2  HIS  65           2HD      HIS  65  -4.077  -7.041  -3.763
  439    HE1  HIS  65           1HE      HIS  65  -1.048  -8.922  -6.117
  440    HE2  HIS  65           2HE      HIS  65  -1.506  -7.146  -4.360
  441    H    HIS  66           H        HIS  66  -7.141 -12.494  -4.362
  442    HA   HIS  66           HA       HIS  66  -9.600 -11.608  -5.563
  443   1HB   HIS  66          1HB       HIS  66  -9.232 -14.186  -3.997
  444   2HB   HIS  66          2HB       HIS  66 -10.396 -13.868  -5.288
  445    HD1  HIS  66           1HD      HIS  66  -7.063 -15.364  -4.780
  446    HD2  HIS  66           2HD      HIS  66  -8.855 -12.915  -7.705
  447    HE1  HIS  66           1HE      HIS  66  -5.604 -15.518  -6.889
  448    HE2  HIS  66           2HE      HIS  66  -6.498 -13.901  -8.481
  449    H    HIS  67           H        HIS  67 -11.729 -11.918  -4.568
  450    HA   HIS  67           HA       HIS  67 -12.551 -10.329  -2.596
  451   1HB   HIS  67          1HB       HIS  67 -13.633 -13.105  -3.192
  452   2HB   HIS  67          2HB       HIS  67 -14.414 -12.013  -2.067
  453    HD1  HIS  67           1HD      HIS  67 -13.626 -12.079  -5.946
  454    HD2  HIS  67           2HD      HIS  67 -15.685  -9.838  -3.019
  455    HE1  HIS  67           1HE      HIS  67 -15.077 -10.505  -7.169
  456    HE2  HIS  67           2HE      HIS  67 -16.097  -8.961  -5.449
  457    H    HIS  68           H        HIS  68 -11.412  -9.908  -0.843
  458    HA   HIS  68           HA       HIS  68  -9.920 -11.649   0.688
  459   1HB   HIS  68          1HB       HIS  68  -9.888  -9.066   0.393
  460   2HB   HIS  68          2HB       HIS  68 -10.950  -9.022   1.787
  461    HD1  HIS  68           1HD      HIS  68  -7.999  -7.695   1.766
  462    HD2  HIS  68           2HD      HIS  68  -9.033 -11.571   3.230
  463    HE1  HIS  68           1HE      HIS  68  -6.182  -8.365   3.332
  464    HE2  HIS  68           2HE      HIS  68  -6.766 -10.719   4.248
  465    H    HIS  69           H        HIS  69 -11.413 -13.434   1.086
  466    HA   HIS  69           HA       HIS  69 -13.528 -13.242   3.032
  467   1HB   HIS  69          1HB       HIS  69 -13.135 -15.184   1.450
  468   2HB   HIS  69          2HB       HIS  69 -11.692 -15.606   2.367
  469    HD1  HIS  69           1HD      HIS  69 -12.167 -16.608   4.982
  470    HD2  HIS  69           2HD      HIS  69 -15.519 -15.939   2.443
  471    HE1  HIS  69           1HE      HIS  69 -14.091 -17.749   6.059
  472    HE2  HIS  69           2HE      HIS  69 -16.163 -17.411   4.529
  473    H    HIS  70           H        HIS  70 -13.415 -13.932   5.302
  474    HA   HIS  70           HA       HIS  70 -10.767 -13.544   6.608
  475   1HB   HIS  70          1HB       HIS  70 -12.323 -11.782   7.348
  476   2HB   HIS  70          2HB       HIS  70 -13.596 -12.977   7.625
  477    HD1  HIS  70           1HD      HIS  70 -12.630 -15.018   9.362
  478    HD2  HIS  70           2HD      HIS  70 -11.111 -11.099   9.609
  479    HE1  HIS  70           1HE      HIS  70 -11.602 -14.765  11.781
  480    HE2  HIS  70           2HE      HIS  70 -10.674 -12.349  11.880
  Start of MODEL    6
    1   1H    GLU   1          1H        GLU   1  -7.650  -1.216  10.656
    2   2H    GLU   1          2H        GLU   1  -8.956  -2.215  10.840
    3   3H    GLU   1          H         GLU   1  -9.174  -0.727  10.180
    4    HA   GLU   1           HA       GLU   1  -7.830  -1.313   8.298
    5   1HB   GLU   1          1HB       GLU   1  -7.686  -3.953   9.786
    6   2HB   GLU   1          2HB       GLU   1  -7.469  -3.878   8.037
    7   1HG   GLU   1          1HG       GLU   1  -5.322  -3.800   9.440
    8   2HG   GLU   1          2HG       GLU   1  -5.507  -2.576   8.171
    9    H    ALA   2           H        ALA   2  -8.881  -2.903   6.474
   10    HA   ALA   2           HA       ALA   2 -11.597  -3.655   6.993
   11   1HB   ALA   2          1HB       ALA   2 -12.471  -2.264   5.110
   12   2HB   ALA   2          2HB       ALA   2 -11.943  -1.261   6.473
   13   3HB   ALA   2          3HB       ALA   2 -10.912  -1.420   5.025
   14    H    GLU   3           H        GLU   3 -12.350  -4.839   5.109
   15    HA   GLU   3           HA       GLU   3 -10.123  -5.997   3.464
   16   1HB   GLU   3          1HB       GLU   3 -12.486  -7.172   4.950
   17   2HB   GLU   3          2HB       GLU   3 -11.778  -8.047   3.613
   18   1HG   GLU   3          1HG       GLU   3 -10.089  -7.048   5.950
   19   2HG   GLU   3          2HG       GLU   3 -10.957  -8.582   5.987
   20    H    ALA   4           H        ALA   4 -13.729  -5.823   3.414
   21    HA   ALA   4           HA       ALA   4 -13.590  -5.125   0.502
   22   1HB   ALA   4          1HB       ALA   4 -14.569  -7.366   0.853
   23   2HB   ALA   4          2HB       ALA   4 -15.748  -6.672   1.997
   24   3HB   ALA   4          3HB       ALA   4 -15.792  -6.209   0.282
   25    H    GLU   5           H        GLU   5 -14.682  -4.327   3.640
   26    HA   GLU   5           HA       GLU   5 -16.840  -2.604   3.178
   27   1HB   GLU   5          1HB       GLU   5 -14.830  -2.144   5.411
   28   2HB   GLU   5          2HB       GLU   5 -16.556  -1.835   5.403
   29   1HG   GLU   5          1HG       GLU   5 -16.232  -3.706   6.815
   30   2HG   GLU   5          2HG       GLU   5 -16.938  -4.348   5.331
   31    H    PHE   6           H        PHE   6 -13.467  -2.103   2.645
   32    HA   PHE   6           HA       PHE   6 -13.892   0.461   1.403
   33   1HB   PHE   6          1HB       PHE   6 -13.249   1.075   3.761
   34   2HB   PHE   6          2HB       PHE   6 -11.789   0.111   3.589
   35    HD1  PHE   6           1HD      PHE   6 -13.531   3.196   2.501
   36    HD2  PHE   6           2HD      PHE   6  -9.867   0.927   2.303
   37    HE1  PHE   6           1HE      PHE   6 -12.355   5.169   1.563
   38    HE2  PHE   6           2HE      PHE   6  -8.704   2.875   1.345
   39    HZ   PHE   6           HZ       PHE   6  -9.945   5.031   0.993
   40    H    THR   7           H        THR   7 -12.016   0.785  -0.129
   41    HA   THR   7           HA       THR   7 -11.248  -1.672  -1.266
   42    HB   THR   7           HB       THR   7  -9.940   1.000  -1.852
   43    HG1  THR   7           1HG      THR   7 -11.738   1.372  -3.226
   44   1HG2  THR   7          1HG2      THR   7  -9.930   0.157  -4.162
   45   2HG2  THR   7          2HG2      THR   7  -9.170  -1.041  -3.100
   46   3HG2  THR   7          3HG2      THR   7 -10.832  -1.293  -3.666
   47    H    ASP   8           H        ASP   8  -9.951  -2.998  -0.122
   48    HA   ASP   8           HA       ASP   8  -7.813  -2.711   1.548
   49   1HB   ASP   8          1HB       ASP   8  -8.647  -4.866   0.902
   50   2HB   ASP   8          2HB       ASP   8  -8.257  -4.593  -0.789
   51    H    ALA   9           H        ALA   9  -5.835  -1.866   1.476
   52    HA   ALA   9           HA       ALA   9  -4.981  -0.012  -0.422
   53   1HB   ALA   9          1HB       ALA   9  -2.751  -0.238   0.671
   54   2HB   ALA   9          2HB       ALA   9  -4.070  -0.109   1.851
   55   3HB   ALA   9          3HB       ALA   9  -3.322  -1.688   1.513
   56    H    CYS  10           H        CYS  10  -4.473  -3.489  -0.316
   57    HA   CYS  10           HA       CYS  10  -2.350  -3.733  -2.217
   58   1HB   CYS  10          1HB       CYS  10  -3.333  -5.413  -0.557
   59   2HB   CYS  10          2HB       CYS  10  -4.612  -5.690  -1.719
   60    H    VAL  11           H        VAL  11  -5.837  -3.271  -2.597
   61    HA   VAL  11           HA       VAL  11  -5.775  -3.795  -5.507
   62    HB   VAL  11           HB       VAL  11  -8.163  -3.390  -3.654
   63   1HG1  VAL  11          1HG1      VAL  11  -9.390  -4.693  -5.393
   64   2HG1  VAL  11          2HG1      VAL  11  -8.759  -3.181  -6.025
   65   3HG1  VAL  11          3HG1      VAL  11  -7.922  -4.701  -6.402
   66   1HG2  VAL  11          1HG2      VAL  11  -8.415  -5.880  -3.658
   67   2HG2  VAL  11          2HG2      VAL  11  -6.814  -6.017  -4.424
   68   3HG2  VAL  11          3HG2      VAL  11  -6.988  -5.355  -2.783
   69    H    LEU  12           H        LEU  12  -5.187  -1.103  -3.479
   70    HA   LEU  12           HA       LEU  12  -6.914   0.692  -5.091
   71   1HB   LEU  12          1HB       LEU  12  -7.602   0.711  -2.930
   72   2HB   LEU  12          2HB       LEU  12  -5.969   0.651  -2.253
   73    HG   LEU  12           HG       LEU  12  -5.943   3.134  -3.308
   74   1HD1  LEU  12          1HD1      LEU  12  -8.047   4.236  -3.237
   75   2HD1  LEU  12          2HD1      LEU  12  -8.407   2.746  -4.125
   76   3HD1  LEU  12          3HD1      LEU  12  -8.842   2.866  -2.422
   77   1HD2  LEU  12          1HD2      LEU  12  -6.659   3.912  -1.101
   78   2HD2  LEU  12          2HD2      LEU  12  -7.222   2.273  -0.690
   79   3HD2  LEU  12          3HD2      LEU  12  -5.498   2.587  -0.991
   80    HA   PRO  13           HA       PRO  13  -3.062   2.360  -6.579
   81   1HB   PRO  13          1HB       PRO  13  -3.885   4.870  -7.442
   82   2HB   PRO  13          2HB       PRO  13  -4.146   3.346  -8.316
   83   1HG   PRO  13          1HG       PRO  13  -6.079   4.964  -6.693
   84   2HG   PRO  13          2HG       PRO  13  -6.410   3.908  -8.098
   85   1HD   PRO  13          1HD       PRO  13  -6.746   3.303  -5.343
   86   2HD   PRO  13          2HD       PRO  13  -6.852   2.113  -6.639
   87    H    ALA  14           H        ALA  14  -1.785   4.458  -6.388
   88    HA   ALA  14           HA       ALA  14  -1.375   5.078  -3.541
   89   1HB   ALA  14          1HB       ALA  14  -0.139   6.389  -6.018
   90   2HB   ALA  14          2HB       ALA  14   0.479   6.426  -4.354
   91   3HB   ALA  14          3HB       ALA  14   0.498   4.909  -5.272
   92    H    VAL  15           H        VAL  15  -1.739   7.249  -2.640
   93    HA   VAL  15           HA       VAL  15  -3.299   9.105  -4.356
   94    HB   VAL  15           HB       VAL  15  -3.882   8.636  -1.441
   95   1HG1  VAL  15          1HG1      VAL  15  -5.311  10.319  -3.531
   96   2HG1  VAL  15          2HG1      VAL  15  -5.904  10.012  -1.886
   97   3HG1  VAL  15          3HG1      VAL  15  -4.409  10.907  -2.107
   98   1HG2  VAL  15          1HG2      VAL  15  -6.095   7.718  -2.289
   99   2HG2  VAL  15          2HG2      VAL  15  -5.403   7.706  -3.918
  100   3HG2  VAL  15          3HG2      VAL  15  -4.711   6.671  -2.644
  101    H    GLN  16           H        GLN  16  -2.512  10.976  -4.350
  102    HA   GLN  16           HA       GLN  16   0.023  11.534  -2.949
  103   1HB   GLN  16          1HB       GLN  16  -1.379  13.251  -5.040
  104   2HB   GLN  16          2HB       GLN  16   0.292  13.375  -4.482
  105   1HG   GLN  16          1HG       GLN  16   0.646  11.000  -5.408
  106   2HG   GLN  16          2HG       GLN  16  -0.947  11.142  -6.151
  107   1HE2  GLN  16          1HE2      GLN  16   2.287  12.667  -6.023
  108   2HE2  GLN  16          2HE2      GLN  16   2.152  13.448  -7.610
  109    H    GLY  17           H        GLY  17  -3.312  12.592  -2.943
  110   1HA   GLY  17          1HA       GLY  17  -4.452  13.688  -1.297
  111   2HA   GLY  17          2HA       GLY  17  -2.939  14.280  -0.574
  112    HA   PRO  18           HA       PRO  18  -4.928  17.387  -3.541
  113   1HB   PRO  18          1HB       PRO  18  -5.948  19.278  -1.820
  114   2HB   PRO  18          2HB       PRO  18  -6.803  17.773  -2.264
  115   1HG   PRO  18          1HG       PRO  18  -5.114  18.286   0.207
  116   2HG   PRO  18          2HG       PRO  18  -6.765  17.592   0.110
  117   1HD   PRO  18          1HD       PRO  18  -4.570  15.995   0.288
  118   2HD   PRO  18          2HD       PRO  18  -5.953  15.535  -0.729
  119    H    CYS  19           H        CYS  19  -2.305  17.542  -1.404
  120    HA   CYS  19           HA       CYS  19  -1.751  20.364  -1.490
  121   1HB   CYS  19          1HB       CYS  19  -0.015  17.987  -0.726
  122   2HB   CYS  19          2HB       CYS  19   0.440  19.667  -0.485
  123    H    ARG  20           H        ARG  20   0.708  20.856  -2.035
  124    HA   ARG  20           HA       ARG  20   1.525  19.811  -4.657
  125   1HB   ARG  20          1HB       ARG  20   0.950  22.705  -4.042
  126   2HB   ARG  20          2HB       ARG  20   2.189  22.251  -5.196
  127   1HG   ARG  20          1HG       ARG  20   0.691  21.950  -6.799
  128   2HG   ARG  20          2HG       ARG  20  -0.103  20.675  -5.912
  129   1HD   ARG  20          1HD       ARG  20  -0.693  23.635  -5.578
  130   2HD   ARG  20          2HD       ARG  20  -1.561  22.564  -6.687
  131    HE   ARG  20           HE       ARG  20  -2.045  21.170  -4.562
  132   1HH1  ARG  20          2HH2      ARG  20  -2.045  24.718  -4.732
  133   2HH1  ARG  20          1HH2      ARG  20  -3.296  24.930  -3.557
  134   1HH2  ARG  20          2HH1      ARG  20  -3.744  21.441  -3.069
  135   2HH2  ARG  20          1HH1      ARG  20  -4.279  22.994  -2.538
  136    H    GLY  21           H        GLY  21   2.295  19.832  -1.735
  137   1HA   GLY  21          1HA       GLY  21   5.170  20.654  -1.862
  138   2HA   GLY  21          2HA       GLY  21   4.292  20.130  -0.381
  139    H    TRP  22           H        TRP  22   6.691  18.634  -1.535
  140    HA   TRP  22           HA       TRP  22   5.320  16.188  -2.453
  141   1HB   TRP  22          1HB       TRP  22   7.849  17.405  -3.561
  142   2HB   TRP  22          2HB       TRP  22   7.163  15.873  -4.043
  143    HD1  TRP  22           HD       TRP  22   7.584  18.928  -5.523
  144    HE1  TRP  22           1HE      TRP  22   5.689  19.812  -6.987
  145    HE3  TRP  22           3HE      TRP  22   3.746  15.925  -3.870
  146    HZ2  TRP  22           2HZ      TRP  22   2.875  19.302  -7.406
  147    HZ3  TRP  22           3HZ      TRP  22   1.493  16.173  -4.791
  148    HH2  TRP  22           HH       TRP  22   1.029  17.840  -6.574
  149    H    GLU  23           H        GLU  23   5.486  14.861  -0.984
  150    HA   GLU  23           HA       GLU  23   7.843  14.495   0.789
  151   1HB   GLU  23          1HB       GLU  23   5.894  15.374   1.944
  152   2HB   GLU  23          2HB       GLU  23   4.824  14.226   1.150
  153   1HG   GLU  23          1HG       GLU  23   5.019  13.508   3.351
  154   2HG   GLU  23          2HG       GLU  23   5.896  12.359   2.358
  155    HA   PRO  24           HA       PRO  24   7.723  10.527  -1.604
  156   1HB   PRO  24          1HB       PRO  24   9.895   9.300  -0.532
  157   2HB   PRO  24          2HB       PRO  24  10.024  10.660  -1.691
  158   1HG   PRO  24          1HG       PRO  24  10.220  10.765   1.335
  159   2HG   PRO  24          2HG       PRO  24  11.310  11.518   0.126
  160   1HD   PRO  24          1HD       PRO  24   9.302  12.887   1.355
  161   2HD   PRO  24          2HD       PRO  24   9.753  13.231  -0.340
  162    H    ARG  25           H        ARG  25   6.602   8.796  -1.269
  163    HA   ARG  25           HA       ARG  25   6.531   7.419   1.346
  164   1HB   ARG  25          1HB       ARG  25   4.096   8.371  -0.234
  165   2HB   ARG  25          2HB       ARG  25   3.990   7.071   0.951
  166   1HG   ARG  25          1HG       ARG  25   4.924   9.892   1.585
  167   2HG   ARG  25          2HG       ARG  25   3.300   9.244   1.852
  168   1HD   ARG  25          1HD       ARG  25   4.179   7.542   3.371
  169   2HD   ARG  25          2HD       ARG  25   5.824   8.137   3.153
  170    HE   ARG  25           HE       ARG  25   3.623   9.386   4.636
  171   1HH1  ARG  25          2HH2      ARG  25   6.959   9.903   3.277
  172   2HH1  ARG  25          1HH2      ARG  25   7.217  11.247   4.352
  173   1HH2  ARG  25          2HH1      ARG  25   4.189  11.318   5.975
  174   2HH2  ARG  25          1HH1      ARG  25   5.742  12.058   5.624
  175    H    TRP  26           H        TRP  26   5.155   5.262   0.869
  176    HA   TRP  26           HA       TRP  26   6.080   4.195  -1.778
  177   1HB   TRP  26          1HB       TRP  26   6.167   3.008   1.013
  178   2HB   TRP  26          2HB       TRP  26   6.170   2.001  -0.427
  179    HD1  TRP  26           HD       TRP  26   8.279   4.911   1.051
  180    HE1  TRP  26           1HE      TRP  26  10.721   4.567   0.408
  181    HE3  TRP  26           3HE      TRP  26   7.758   0.677  -1.751
  182    HZ2  TRP  26           2HZ      TRP  26  12.277   2.649  -1.175
  183    HZ3  TRP  26           3HZ      TRP  26   9.630  -0.045  -3.232
  184    HH2  TRP  26           HH       TRP  26  11.908   0.740  -2.769
  185    H    ALA  27           H        ALA  27   4.568   2.829  -2.866
  186    HA   ALA  27           HA       ALA  27   2.060   2.231  -1.471
  187   1HB   ALA  27          1HB       ALA  27   0.706   2.836  -3.503
  188   2HB   ALA  27          2HB       ALA  27   1.297   4.217  -2.598
  189   3HB   ALA  27          3HB       ALA  27   2.098   3.715  -4.129
  190    H    TYR  28           H        TYR  28   1.076   0.436  -2.250
  191    HA   TYR  28           HA       TYR  28   2.763  -1.415  -3.757
  192   1HB   TYR  28          1HB       TYR  28   1.436  -2.194  -1.817
  193   2HB   TYR  28          2HB       TYR  28  -0.044  -1.677  -2.600
  194    HD1  TYR  28           1HD      TYR  28  -1.210  -3.100  -4.049
  195    HD2  TYR  28           2HD      TYR  28   2.884  -4.028  -3.093
  196    HE1  TYR  28           1HE      TYR  28  -1.468  -5.311  -5.107
  197    HE2  TYR  28           2HE      TYR  28   2.667  -6.202  -4.250
  198    HH   TYR  28           HH       TYR  28  -0.474  -7.415  -5.375
  199    H    SER  29           H        SER  29   2.319  -2.217  -5.817
  200    HA   SER  29           HA       SER  29   0.097  -0.973  -7.332
  201   1HB   SER  29          1HB       SER  29   3.006  -1.367  -7.997
  202   2HB   SER  29          2HB       SER  29   1.866  -1.167  -9.288
  203    HG   SER  29           HG       SER  29   1.589   0.474  -7.060
  204    HA   PRO  30           HA       PRO  30  -0.657  -5.453  -7.476
  205   1HB   PRO  30          1HB       PRO  30  -3.161  -5.328  -8.664
  206   2HB   PRO  30          2HB       PRO  30  -2.873  -5.181  -6.908
  207   1HG   PRO  30          1HG       PRO  30  -3.288  -2.979  -8.934
  208   2HG   PRO  30          2HG       PRO  30  -3.969  -3.117  -7.283
  209   1HD   PRO  30          1HD       PRO  30  -1.819  -1.556  -7.842
  210   2HD   PRO  30          2HD       PRO  30  -1.943  -2.436  -6.292
  211    H    LEU  31           H        LEU  31  -1.078  -3.046 -10.040
  212    HA   LEU  31           HA       LEU  31  -0.889  -4.788 -12.291
  213   1HB   LEU  31          1HB       LEU  31  -0.479  -1.841 -11.860
  214   2HB   LEU  31          2HB       LEU  31  -0.125  -2.581 -13.419
  215    HG   LEU  31           HG       LEU  31  -2.808  -2.992 -12.042
  216   1HD1  LEU  31          1HD1      LEU  31  -2.436  -0.599 -12.364
  217   2HD1  LEU  31          2HD1      LEU  31  -2.014  -0.881 -14.074
  218   3HD1  LEU  31          3HD1      LEU  31  -3.666  -1.208 -13.488
  219   1HD2  LEU  31          1HD2      LEU  31  -2.332  -4.612 -13.863
  220   2HD2  LEU  31          2HD2      LEU  31  -3.585  -3.477 -14.359
  221   3HD2  LEU  31          3HD2      LEU  31  -1.926  -3.278 -14.959
  222    H    LEU  32           H        LEU  32   1.536  -3.833  -9.998
  223    HA   LEU  32           HA       LEU  32   3.706  -4.793 -11.802
  224   1HB   LEU  32          1HB       LEU  32   3.558  -2.837  -9.512
  225   2HB   LEU  32          2HB       LEU  32   5.083  -3.554  -9.924
  226    HG   LEU  32           HG       LEU  32   3.417  -2.043 -11.973
  227   1HD1  LEU  32          1HD1      LEU  32   5.714  -1.035 -10.239
  228   2HD1  LEU  32          2HD1      LEU  32   5.002  -0.159 -11.614
  229   3HD1  LEU  32          3HD1      LEU  32   4.016  -0.492 -10.188
  230   1HD2  LEU  32          1HD2      LEU  32   6.354  -2.893 -11.950
  231   2HD2  LEU  32          2HD2      LEU  32   5.074  -3.568 -12.975
  232   3HD2  LEU  32          3HD2      LEU  32   5.578  -1.896 -13.202
  233    H    GLN  33           H        GLN  33   1.624  -5.670  -9.362
  234    HA   GLN  33           HA       GLN  33   1.494  -6.969  -7.639
  235   1HB   GLN  33          1HB       GLN  33   1.901  -8.533  -9.631
  236   2HB   GLN  33          2HB       GLN  33   3.535  -8.755  -8.998
  237   1HG   GLN  33          1HG       GLN  33   1.704  -9.061  -6.803
  238   2HG   GLN  33          2HG       GLN  33   1.004  -9.935  -8.150
  239   1HE2  GLN  33          1HE2      GLN  33   4.202  -9.536  -6.526
  240   2HE2  GLN  33          2HE2      GLN  33   4.617 -11.259  -6.623
  241    H    GLN  34           H        GLN  34   3.287  -4.793  -7.274
  242    HA   GLN  34           HA       GLN  34   4.921  -5.653  -5.055
  243   1HB   GLN  34          1HB       GLN  34   6.308  -6.408  -7.056
  244   2HB   GLN  34          2HB       GLN  34   6.344  -4.715  -7.560
  245   1HG   GLN  34          1HG       GLN  34   8.425  -5.716  -6.481
  246   2HG   GLN  34          2HG       GLN  34   7.910  -4.102  -6.046
  247   1HE2  GLN  34          1HE2      GLN  34   7.571  -7.568  -4.779
  248   2HE2  GLN  34          2HE2      GLN  34   7.799  -6.979  -3.128
  249    H    CYS  35           H        CYS  35   6.356  -3.721  -4.458
  250    HA   CYS  35           HA       CYS  35   4.632  -1.312  -4.424
  251   1HB   CYS  35          1HB       CYS  35   6.793  -2.449  -2.622
  252   2HB   CYS  35          2HB       CYS  35   6.239  -0.791  -2.471
  253    H    HIS  36           H        HIS  36   5.534   0.709  -4.449
  254    HA   HIS  36           HA       HIS  36   8.345   1.001  -5.235
  255   1HB   HIS  36          1HB       HIS  36   7.956   2.245  -7.295
  256   2HB   HIS  36          2HB       HIS  36   7.304   0.624  -7.422
  257    HD1  HIS  36           1HD      HIS  36   6.060   4.261  -6.876
  258    HD2  HIS  36           2HD      HIS  36   4.631   0.417  -8.049
  259    HE1  HIS  36           1HE      HIS  36   3.647   4.555  -7.698
  260    HE2  HIS  36           2HE      HIS  36   2.836   2.151  -8.370
  261    HA   PRO  37           HA       PRO  37   7.854   4.819  -2.950
  262   1HB   PRO  37          1HB       PRO  37   9.690   6.133  -4.927
  263   2HB   PRO  37          2HB       PRO  37   9.848   6.025  -3.148
  264   1HG   PRO  37          1HG       PRO  37  11.390   4.518  -4.852
  265   2HG   PRO  37          2HG       PRO  37  10.814   3.889  -3.283
  266   1HD   PRO  37          1HD       PRO  37   9.748   3.277  -6.016
  267   2HD   PRO  37          2HD       PRO  37   9.927   2.237  -4.595
  268    H    PHE  38           H        PHE  38   6.943   7.171  -3.321
  269    HA   PHE  38           HA       PHE  38   6.347   7.916  -6.008
  270   1HB   PHE  38          1HB       PHE  38   4.032   7.794  -6.074
  271   2HB   PHE  38          2HB       PHE  38   4.482   6.218  -5.479
  272    HD1  PHE  38           1HD      PHE  38   2.511   9.176  -4.912
  273    HD2  PHE  38           2HD      PHE  38   4.261   5.783  -2.893
  274    HE1  PHE  38           1HE      PHE  38   0.889   9.422  -3.094
  275    HE2  PHE  38           2HE      PHE  38   2.572   6.033  -1.076
  276    HZ   PHE  38           HZ       PHE  38   0.890   7.836  -1.174
  277    H    VAL  39           H        VAL  39   5.039  10.029  -5.918
  278    HA   VAL  39           HA       VAL  39   6.133  11.685  -3.728
  279    HB   VAL  39           HB       VAL  39   5.096  12.244  -6.540
  280   1HG1  VAL  39          1HG1      VAL  39   5.783  14.183  -4.312
  281   2HG1  VAL  39          2HG1      VAL  39   5.775  14.649  -6.034
  282   3HG1  VAL  39          3HG1      VAL  39   4.293  14.084  -5.263
  283   1HG2  VAL  39          1HG2      VAL  39   7.426  11.401  -6.389
  284   2HG2  VAL  39          2HG2      VAL  39   7.391  13.096  -6.891
  285   3HG2  VAL  39          3HG2      VAL  39   7.815  12.681  -5.218
  286    H    TYR  40           H        TYR  40   4.815  12.010  -2.078
  287    HA   TYR  40           HA       TYR  40   1.886  12.165  -2.397
  288   1HB   TYR  40          1HB       TYR  40   2.312  10.285  -1.086
  289   2HB   TYR  40          2HB       TYR  40   3.747  10.947  -0.371
  290    HD1  TYR  40           1HD      TYR  40   3.747  11.871   1.731
  291    HD2  TYR  40           2HD      TYR  40  -0.012  11.319  -0.317
  292    HE1  TYR  40           1HE      TYR  40   2.554  12.238   3.851
  293    HE2  TYR  40           2HE      TYR  40  -1.219  11.801   1.790
  294    HH   TYR  40           HH       TYR  40  -0.918  12.680   3.990
  295    H    GLY  41           H        GLY  41   1.071  13.738  -0.493
  296   1HA   GLY  41          1HA       GLY  41   2.821  16.148  -0.587
  297   2HA   GLY  41          2HA       GLY  41   1.097  16.151  -0.878
  298    H    GLY  42           H        GLY  42   1.820  14.093   1.783
  299   1HA   GLY  42          1HA       GLY  42   2.096  14.422   4.043
  300   2HA   GLY  42          2HA       GLY  42   2.224  16.161   3.795
  301    H    CYS  43           H        CYS  43  -0.414  16.234   2.385
  302    HA   CYS  43           HA       CYS  43  -2.235  16.297   4.674
  303   1HB   CYS  43          1HB       CYS  43  -3.824  17.136   2.834
  304   2HB   CYS  43          2HB       CYS  43  -2.471  18.133   3.290
  305    H    GLU  44           H        GLU  44  -4.568  15.583   3.770
  306    HA   GLU  44           HA       GLU  44  -5.171  13.082   4.306
  307   1HB   GLU  44          1HB       GLU  44  -6.462  14.509   1.968
  308   2HB   GLU  44          2HB       GLU  44  -7.142  13.222   2.957
  309   1HG   GLU  44          1HG       GLU  44  -8.129  15.084   3.868
  310   2HG   GLU  44          2HG       GLU  44  -6.799  14.815   4.979
  311    H    GLY  45           H        GLY  45  -5.027  10.986   3.488
  312   1HA   GLY  45          1HA       GLY  45  -4.725  10.462   0.668
  313   2HA   GLY  45          2HA       GLY  45  -3.326   9.993   1.665
  314    H    ASN  46           H        ASN  46  -4.740   7.983   0.427
  315    HA   ASN  46           HA       ASN  46  -6.617   6.861   2.442
  316   1HB   ASN  46          1HB       ASN  46  -5.783   5.665  -0.205
  317   2HB   ASN  46          2HB       ASN  46  -7.068   5.096   0.850
  318   1HD2  ASN  46          1HD2      ASN  46  -8.405   5.099  -1.182
  319   2HD2  ASN  46          2HD2      ASN  46  -9.152   6.654  -1.531
  320    H    GLY  47           H        GLY  47  -6.216   4.286   2.324
  321   1HA   GLY  47          1HA       GLY  47  -4.023   3.871   4.098
  322   2HA   GLY  47          2HA       GLY  47  -5.105   2.625   3.478
  323    H    ASN  48           H        ASN  48  -3.961   3.712   0.612
  324    HA   ASN  48           HA       ASN  48  -1.668   1.806   0.685
  325   1HB   ASN  48          1HB       ASN  48  -3.301   1.523  -1.190
  326   2HB   ASN  48          2HB       ASN  48  -2.840   3.132  -1.779
  327   1HD2  ASN  48          1HD2      ASN  48  -2.338   1.240  -3.611
  328   2HD2  ASN  48          2HD2      ASN  48  -0.697   0.697  -3.630
  329    H    ASN  49           H        ASN  49  -0.754   3.372   2.203
  330    HA   ASN  49           HA       ASN  49   1.059   5.222   0.843
  331   1HB   ASN  49          1HB       ASN  49  -1.013   6.559   1.500
  332   2HB   ASN  49          2HB       ASN  49  -0.693   6.134   3.180
  333   1HD2  ASN  49          1HD2      ASN  49  -0.382   8.638   1.122
  334   2HD2  ASN  49          2HD2      ASN  49   1.043   9.388   1.786
  335    H    PHE  50           H        PHE  50   2.893   4.298   1.549
  336    HA   PHE  50           HA       PHE  50   3.043   3.221   4.309
  337   1HB   PHE  50          1HB       PHE  50   4.263   2.215   1.721
  338   2HB   PHE  50          2HB       PHE  50   4.626   1.518   3.243
  339    HD1  PHE  50           1HD      PHE  50   2.450   1.235   0.481
  340    HD2  PHE  50           2HD      PHE  50   2.330   1.092   4.789
  341    HE1  PHE  50           1HE      PHE  50   0.309  -0.030   0.410
  342    HE2  PHE  50           2HE      PHE  50   0.157  -0.052   4.693
  343    HZ   PHE  50           HZ       PHE  50  -0.880  -0.577   2.509
  344    H    HIS  51           H        HIS  51   5.295   2.961   5.092
  345    HA   HIS  51           HA       HIS  51   6.422   5.712   5.135
  346   1HB   HIS  51          1HB       HIS  51   7.632   3.285   6.563
  347   2HB   HIS  51          2HB       HIS  51   7.537   4.931   7.097
  348    HD1  HIS  51           1HD      HIS  51   6.602   1.784   8.194
  349    HD2  HIS  51           2HD      HIS  51   4.301   5.266   7.335
  350    HE1  HIS  51           1HE      HIS  51   4.384   1.529   9.441
  351    HE2  HIS  51           2HE      HIS  51   2.977   3.633   8.921
  352    H    SER  52           H        SER  52   7.113   2.464   3.843
  353    HA   SER  52           HA       SER  52   9.617   3.234   2.613
  354   1HB   SER  52          1HB       SER  52  10.829   1.466   4.176
  355   2HB   SER  52          2HB       SER  52  10.553   3.099   4.809
  356    HG   SER  52           HG       SER  52   9.759   1.450   6.338
  357    H    ARG  53           H        ARG  53  10.677   0.862   2.091
  358    HA   ARG  53           HA       ARG  53   8.823  -0.633   0.518
  359   1HB   ARG  53          1HB       ARG  53  11.300  -0.573   0.171
  360   2HB   ARG  53          2HB       ARG  53  11.493  -1.535   1.645
  361   1HG   ARG  53          1HG       ARG  53  11.599  -3.006  -0.185
  362   2HG   ARG  53          2HG       ARG  53  10.069  -3.329   0.603
  363   1HD   ARG  53          1HD       ARG  53   8.865  -2.089  -1.150
  364   2HD   ARG  53          2HD       ARG  53  10.339  -1.563  -1.883
  365    HE   ARG  53           HE       ARG  53   8.984  -4.074  -2.260
  366   1HH1  ARG  53          2HH2      ARG  53  12.258  -2.812  -2.358
  367   2HH1  ARG  53          1HH2      ARG  53  12.958  -4.293  -2.947
  368   1HH2  ARG  53          2HH1      ARG  53   9.951  -6.050  -2.569
  369   2HH2  ARG  53          1HH1      ARG  53  11.542  -6.217  -3.162
  370    H    GLU  54           H        GLU  54  10.147  -1.180   3.780
  371    HA   GLU  54           HA       GLU  54   9.162  -3.508   4.697
  372   1HB   GLU  54          1HB       GLU  54  10.522  -2.070   5.975
  373   2HB   GLU  54          2HB       GLU  54   9.651  -0.667   5.595
  374   1HG   GLU  54          1HG       GLU  54   8.059  -2.266   7.455
  375   2HG   GLU  54          2HG       GLU  54   9.716  -2.068   8.041
  376    H    SER  55           H        SER  55   7.303  -0.586   5.355
  377    HA   SER  55           HA       SER  55   5.039  -2.095   6.155
  378   1HB   SER  55          1HB       SER  55   3.875   0.215   5.981
  379   2HB   SER  55          2HB       SER  55   5.121  -0.094   7.186
  380    HG   SER  55           HG       SER  55   6.557   0.975   6.088
  381    H    CYS  56           H        CYS  56   5.940  -0.922   3.044
  382    HA   CYS  56           HA       CYS  56   3.325  -1.323   1.858
  383   1HB   CYS  56          1HB       CYS  56   5.451   0.104   1.133
  384   2HB   CYS  56          2HB       CYS  56   6.047  -1.387   0.461
  385    H    GLU  57           H        GLU  57   6.336  -3.229   2.055
  386    HA   GLU  57           HA       GLU  57   5.126  -5.381   0.505
  387   1HB   GLU  57          1HB       GLU  57   7.697  -5.299   2.101
  388   2HB   GLU  57          2HB       GLU  57   7.052  -6.780   1.352
  389   1HG   GLU  57          1HG       GLU  57   6.808  -5.402  -0.824
  390   2HG   GLU  57          2HG       GLU  57   7.832  -4.200  -0.060
  391    H    ASP  58           H        ASP  58   5.275  -4.596   3.965
  392    HA   ASP  58           HA       ASP  58   4.046  -6.967   4.933
  393   1HB   ASP  58          1HB       ASP  58   5.056  -5.288   6.395
  394   2HB   ASP  58          2HB       ASP  58   3.867  -4.089   5.896
  395    H    ALA  59           H        ALA  59   2.603  -3.949   3.418
  396    HA   ALA  59           HA       ALA  59  -0.065  -4.958   3.760
  397   1HB   ALA  59          1HB       ALA  59   0.976  -3.011   1.660
  398   2HB   ALA  59          2HB       ALA  59  -0.720  -3.290   2.103
  399   3HB   ALA  59          3HB       ALA  59   0.412  -2.616   3.297
  400    H    CYS  60           H        CYS  60   2.047  -4.983   0.779
  401    HA   CYS  60           HA       CYS  60   1.369  -7.653   0.183
  402   1HB   CYS  60          1HB       CYS  60   0.190  -5.457  -1.497
  403   2HB   CYS  60          2HB       CYS  60   0.645  -6.903  -2.240
  404    HA   PRO  61           HA       PRO  61   1.560  -8.614  -2.193
  405   1HB   PRO  61          1HB       PRO  61   3.237 -10.391  -3.397
  406   2HB   PRO  61          2HB       PRO  61   2.805  -8.824  -4.145
  407   1HG   PRO  61          1HG       PRO  61   5.314  -9.510  -2.579
  408   2HG   PRO  61          2HG       PRO  61   5.182  -8.641  -4.135
  409   1HD   PRO  61          1HD       PRO  61   5.389  -7.386  -1.667
  410   2HD   PRO  61          2HD       PRO  61   4.572  -6.652  -3.070
  411    H    VAL  62           H        VAL  62   0.749  -9.693  -0.464
  412    HA   VAL  62           HA       VAL  62   2.418 -11.664   0.959
  413    HB   VAL  62           HB       VAL  62   0.451  -9.696   2.212
  414   1HG1  VAL  62          1HG1      VAL  62   0.225 -11.645   3.588
  415   2HG1  VAL  62          2HG1      VAL  62   1.993 -11.967   3.537
  416   3HG1  VAL  62          3HG1      VAL  62   1.327 -10.583   4.420
  417   1HG2  VAL  62          1HG2      VAL  62   3.485 -10.012   2.470
  418   2HG2  VAL  62          2HG2      VAL  62   2.607  -8.665   1.730
  419   3HG2  VAL  62          3HG2      VAL  62   2.499  -8.916   3.456
  420    H    VAL  63           H        VAL  63   0.519 -12.913   2.302
  421    HA   VAL  63           HA       VAL  63  -0.962 -14.362   0.310
  422    HB   VAL  63           HB       VAL  63  -1.479 -14.361   3.288
  423   1HG1  VAL  63          1HG1      VAL  63  -3.111 -15.600   1.995
  424   2HG1  VAL  63          2HG1      VAL  63  -1.817 -16.518   1.170
  425   3HG1  VAL  63          3HG1      VAL  63  -2.108 -16.726   2.916
  426   1HG2  VAL  63          1HG2      VAL  63   0.156 -16.275   3.458
  427   2HG2  VAL  63          2HG2      VAL  63   0.670 -15.936   1.789
  428   3HG2  VAL  63          3HG2      VAL  63   0.941 -14.749   3.083
  429    H    ASP  64           H        ASP  64  -3.099 -14.299  -0.056
  430    HA   ASP  64           HA       ASP  64  -4.501 -11.889  -0.323
  431   1HB   ASP  64          1HB       ASP  64  -5.043 -13.747  -1.697
  432   2HB   ASP  64          2HB       ASP  64  -5.269 -14.820  -0.316
  433    H    HIS  65           H        HIS  65  -5.113 -10.599   1.264
  434    HA   HIS  65           HA       HIS  65  -5.384 -11.051   3.967
  435   1HB   HIS  65          1HB       HIS  65  -6.821  -8.896   2.351
  436   2HB   HIS  65          2HB       HIS  65  -6.420  -8.854   4.054
  437    HD1  HIS  65           1HD      HIS  65  -5.479  -6.791   1.547
  438    HD2  HIS  65           2HD      HIS  65  -3.225  -9.672   3.740
  439    HE1  HIS  65           1HE      HIS  65  -3.061  -6.003   1.571
  440    HE2  HIS  65           2HE      HIS  65  -1.675  -7.719   2.785
  441    H    HIS  66           H        HIS  66  -8.290  -9.960   2.336
  442    HA   HIS  66           HA       HIS  66 -10.237 -11.446   3.534
  443   1HB   HIS  66          1HB       HIS  66 -11.490 -10.880   1.235
  444   2HB   HIS  66          2HB       HIS  66 -11.015  -9.631   2.355
  445    HD1  HIS  66           1HD      HIS  66  -8.717 -11.262  -0.398
  446    HD2  HIS  66           2HD      HIS  66  -9.968  -7.599   1.296
  447    HE1  HIS  66           1HE      HIS  66  -7.298  -9.472  -1.411
  448    HE2  HIS  66           2HE      HIS  66  -7.965  -7.263  -0.293
  449    H    HIS  67           H        HIS  67  -8.838 -13.350   3.551
  450    HA   HIS  67           HA       HIS  67  -8.046 -14.961   1.658
  451   1HB   HIS  67          1HB       HIS  67  -7.864 -15.054   4.270
  452   2HB   HIS  67          2HB       HIS  67  -9.094 -16.313   4.130
  453    HD1  HIS  67           1HD      HIS  67  -5.686 -15.343   2.590
  454    HD2  HIS  67           2HD      HIS  67  -8.169 -18.694   3.311
  455    HE1  HIS  67           1HE      HIS  67  -4.410 -17.464   1.718
  456    HE2  HIS  67           2HE      HIS  67  -6.004 -19.481   2.120
  457    H    HIS  68           H        HIS  68  -9.153 -15.176  -0.100
  458    HA   HIS  68           HA       HIS  68 -11.744 -16.341  -0.455
  459   1HB   HIS  68          1HB       HIS  68 -10.190 -14.890  -2.002
  460   2HB   HIS  68          2HB       HIS  68  -9.386 -16.382  -2.414
  461    HD1  HIS  68           1HD      HIS  68 -12.398 -14.312  -3.181
  462    HD2  HIS  68           2HD      HIS  68 -10.985 -18.251  -3.778
  463    HE1  HIS  68           1HE      HIS  68 -13.858 -15.334  -5.058
  464    HE2  HIS  68           2HE      HIS  68 -12.988 -17.738  -5.416
  465    H    HIS  69           H        HIS  69 -11.718 -18.078   0.948
  466    HA   HIS  69           HA       HIS  69 -10.177 -19.878   1.821
  467   1HB   HIS  69          1HB       HIS  69 -12.587 -19.851   2.226
  468   2HB   HIS  69          2HB       HIS  69 -12.871 -20.691   0.703
  469    HD1  HIS  69           1HD      HIS  69 -11.591 -23.221   0.601
  470    HD2  HIS  69           2HD      HIS  69 -12.310 -21.387   4.344
  471    HE1  HIS  69           1HE      HIS  69 -11.447 -25.104   2.401
  472    HE2  HIS  69           2HE      HIS  69 -11.884 -23.953   4.669
  473    H    HIS  70           H        HIS  70  -8.344 -20.388   0.762
  474    HA   HIS  70           HA       HIS  70  -8.230 -22.839  -0.699
  475   1HB   HIS  70          1HB       HIS  70  -8.140 -21.098  -2.511
  476   2HB   HIS  70          2HB       HIS  70  -6.912 -20.221  -1.597
  477    HD1  HIS  70           1HD      HIS  70  -5.372 -23.168  -0.946
  478    HD2  HIS  70           2HD      HIS  70  -6.301 -21.216  -4.576
  479    HE1  HIS  70           1HE      HIS  70  -3.683 -24.053  -2.716
  480    HE2  HIS  70           2HE      HIS  70  -4.270 -22.847  -4.930
  Start of MODEL    7
    1   1H    GLU   1          1H        GLU   1 -15.847   1.967   4.525
    2   2H    GLU   1          2H        GLU   1 -15.738   3.344   5.483
    3   3H    GLU   1          H         GLU   1 -16.315   1.907   6.087
    4    HA   GLU   1           HA       GLU   1 -14.271   0.837   5.733
    5   1HB   GLU   1          1HB       GLU   1 -13.112   3.550   5.026
    6   2HB   GLU   1          2HB       GLU   1 -12.250   2.021   5.179
    7   1HG   GLU   1          1HG       GLU   1 -14.089   2.970   2.993
    8   2HG   GLU   1          2HG       GLU   1 -12.437   2.369   2.866
    9    H    ALA   2           H        ALA   2 -15.477   0.964   7.927
   10    HA   ALA   2           HA       ALA   2 -13.907   2.278  10.019
   11   1HB   ALA   2          1HB       ALA   2 -15.546  -0.306   9.991
   12   2HB   ALA   2          2HB       ALA   2 -14.919   0.524  11.432
   13   3HB   ALA   2          3HB       ALA   2 -16.162   1.301  10.443
   14    H    GLU   3           H        GLU   3 -12.618   0.678  11.428
   15    HA   GLU   3           HA       GLU   3 -10.257  -0.119  10.182
   16   1HB   GLU   3          1HB       GLU   3 -11.150  -1.655  12.645
   17   2HB   GLU   3          2HB       GLU   3  -9.569  -1.067  12.203
   18   1HG   GLU   3          1HG       GLU   3 -10.223   0.233  14.052
   19   2HG   GLU   3          2HG       GLU   3 -10.442   1.305  12.659
   20    H    ALA   4           H        ALA   4 -12.971  -2.141  11.232
   21    HA   ALA   4           HA       ALA   4 -11.934  -4.604  10.176
   22   1HB   ALA   4          1HB       ALA   4 -14.150  -5.510  10.770
   23   2HB   ALA   4          2HB       ALA   4 -13.518  -4.492  12.081
   24   3HB   ALA   4          3HB       ALA   4 -14.780  -3.864  10.994
   25    H    GLU   5           H        GLU   5 -13.260  -1.962   8.464
   26    HA   GLU   5           HA       GLU   5 -14.514  -3.700   6.372
   27   1HB   GLU   5          1HB       GLU   5 -14.603  -0.731   6.947
   28   2HB   GLU   5          2HB       GLU   5 -15.137  -1.419   5.435
   29   1HG   GLU   5          1HG       GLU   5 -16.870  -2.736   6.726
   30   2HG   GLU   5          2HG       GLU   5 -16.435  -1.750   8.143
   31    H    PHE   6           H        PHE   6 -12.115  -1.101   6.908
   32    HA   PHE   6           HA       PHE   6 -11.503  -0.128   4.559
   33   1HB   PHE   6          1HB       PHE   6 -10.329   0.571   6.512
   34   2HB   PHE   6          2HB       PHE   6  -9.511  -0.985   6.654
   35    HD1  PHE   6           1HD      PHE   6 -10.010   1.695   4.011
   36    HD2  PHE   6           2HD      PHE   6  -7.290  -1.079   5.887
   37    HE1  PHE   6           1HE      PHE   6  -8.240   2.348   2.417
   38    HE2  PHE   6           2HE      PHE   6  -5.509  -0.395   4.305
   39    HZ   PHE   6           HZ       PHE   6  -5.994   1.277   2.535
   40    H    THR   7           H        THR   7 -11.713  -1.084   2.748
   41    HA   THR   7           HA       THR   7 -10.913  -3.592   1.907
   42    HB   THR   7           HB       THR   7 -11.177  -1.026   0.278
   43    HG1  THR   7           1HG      THR   7 -12.991  -1.253   1.464
   44   1HG2  THR   7          1HG2      THR   7 -10.265  -2.936  -1.027
   45   2HG2  THR   7          2HG2      THR   7 -11.624  -3.954  -0.494
   46   3HG2  THR   7          3HG2      THR   7 -11.916  -2.537  -1.528
   47    H    ASP   8           H        ASP   8  -9.042  -4.452   1.470
   48    HA   ASP   8           HA       ASP   8  -6.699  -3.574   2.489
   49   1HB   ASP   8          1HB       ASP   8  -7.349  -5.924   1.582
   50   2HB   ASP   8          2HB       ASP   8  -6.671  -5.381   0.060
   51    H    ALA   9           H        ALA   9  -5.100  -2.274   2.026
   52    HA   ALA   9           HA       ALA   9  -5.253  -0.271   0.064
   53   1HB   ALA   9          1HB       ALA   9  -2.865  -1.268   1.667
   54   2HB   ALA   9          2HB       ALA   9  -2.938   0.254   0.769
   55   3HB   ALA   9          3HB       ALA   9  -4.009   0.007   2.158
   56    H    CYS  10           H        CYS  10  -3.924  -3.502  -0.108
   57    HA   CYS  10           HA       CYS  10  -2.158  -3.405  -2.262
   58   1HB   CYS  10          1HB       CYS  10  -2.670  -5.227  -0.672
   59   2HB   CYS  10          2HB       CYS  10  -4.230  -5.468  -1.429
   60    H    VAL  11           H        VAL  11  -5.716  -3.202  -2.256
   61    HA   VAL  11           HA       VAL  11  -5.860  -3.523  -5.194
   62    HB   VAL  11           HB       VAL  11  -8.186  -3.246  -3.261
   63   1HG1  VAL  11          1HG1      VAL  11  -7.877  -4.718  -5.924
   64   2HG1  VAL  11          2HG1      VAL  11  -9.350  -4.675  -4.928
   65   3HG1  VAL  11          3HG1      VAL  11  -8.757  -3.198  -5.673
   66   1HG2  VAL  11          1HG2      VAL  11  -6.910  -5.084  -2.296
   67   2HG2  VAL  11          2HG2      VAL  11  -8.287  -5.751  -3.156
   68   3HG2  VAL  11          3HG2      VAL  11  -6.672  -5.818  -3.899
   69    H    LEU  12           H        LEU  12  -5.177  -0.918  -3.194
   70    HA   LEU  12           HA       LEU  12  -7.106   0.919  -4.466
   71   1HB   LEU  12          1HB       LEU  12  -7.633   0.975  -2.350
   72   2HB   LEU  12          2HB       LEU  12  -6.010   0.580  -1.746
   73    HG   LEU  12           HG       LEU  12  -5.471   3.054  -2.361
   74   1HD1  LEU  12          1HD1      LEU  12  -8.198   3.888  -1.683
   75   2HD1  LEU  12          2HD1      LEU  12  -7.126   4.423  -3.018
   76   3HD1  LEU  12          3HD1      LEU  12  -8.203   3.026  -3.211
   77   1HD2  LEU  12          1HD2      LEU  12  -5.569   2.082  -0.115
   78   2HD2  LEU  12          2HD2      LEU  12  -6.247   3.705  -0.139
   79   3HD2  LEU  12          3HD2      LEU  12  -7.327   2.291  -0.075
   80    HA   PRO  13           HA       PRO  13  -3.464   2.595  -6.351
   81   1HB   PRO  13          1HB       PRO  13  -4.492   5.023  -7.283
   82   2HB   PRO  13          2HB       PRO  13  -4.619   3.441  -8.085
   83   1HG   PRO  13          1HG       PRO  13  -6.683   4.962  -6.549
   84   2HG   PRO  13          2HG       PRO  13  -6.919   3.743  -7.837
   85   1HD   PRO  13          1HD       PRO  13  -7.159   3.381  -5.031
   86   2HD   PRO  13          2HD       PRO  13  -7.167   2.070  -6.206
   87    H    ALA  14           H        ALA  14  -2.105   4.463  -6.308
   88    HA   ALA  14           HA       ALA  14  -1.706   5.552  -3.594
   89   1HB   ALA  14          1HB       ALA  14   0.404   6.331  -4.503
   90   2HB   ALA  14          2HB       ALA  14   0.177   4.671  -5.069
   91   3HB   ALA  14          3HB       ALA  14  -0.125   6.031  -6.172
   92    H    VAL  15           H        VAL  15  -1.758   7.909  -3.198
   93    HA   VAL  15           HA       VAL  15  -2.873   9.599  -5.350
   94    HB   VAL  15           HB       VAL  15  -4.058   9.255  -2.583
   95   1HG1  VAL  15          1HG1      VAL  15  -4.193  11.596  -3.076
   96   2HG1  VAL  15          2HG1      VAL  15  -4.834  11.270  -4.712
   97   3HG1  VAL  15          3HG1      VAL  15  -5.788  10.894  -3.256
   98   1HG2  VAL  15          1HG2      VAL  15  -5.176   8.675  -5.363
   99   2HG2  VAL  15          2HG2      VAL  15  -4.884   7.497  -4.062
  100   3HG2  VAL  15          3HG2      VAL  15  -6.169   8.695  -3.897
  101    H    GLN  16           H        GLN  16  -2.224  11.597  -5.217
  102    HA   GLN  16           HA       GLN  16   0.123  12.377  -3.692
  103   1HB   GLN  16          1HB       GLN  16  -1.698  13.754  -5.678
  104   2HB   GLN  16          2HB       GLN  16  -0.537  14.697  -4.734
  105   1HG   GLN  16          1HG       GLN  16   0.375  14.200  -6.901
  106   2HG   GLN  16          2HG       GLN  16   1.302  13.351  -5.666
  107   1HE2  GLN  16          1HE2      GLN  16   1.578  11.155  -5.942
  108   2HE2  GLN  16          2HE2      GLN  16   0.720  10.237  -7.188
  109    H    GLY  17           H        GLY  17  -3.113  13.901  -3.888
  110   1HA   GLY  17          1HA       GLY  17  -4.458  14.275  -1.872
  111   2HA   GLY  17          2HA       GLY  17  -2.939  14.709  -1.059
  112    HA   PRO  18           HA       PRO  18  -4.859  18.320  -3.435
  113   1HB   PRO  18          1HB       PRO  18  -5.766  19.946  -1.402
  114   2HB   PRO  18          2HB       PRO  18  -6.701  18.598  -2.106
  115   1HG   PRO  18          1HG       PRO  18  -5.043  18.590   0.429
  116   2HG   PRO  18          2HG       PRO  18  -6.701  17.960   0.175
  117   1HD   PRO  18          1HD       PRO  18  -4.508  16.331   0.111
  118   2HD   PRO  18          2HD       PRO  18  -5.913  16.048  -0.946
  119    H    CYS  19           H        CYS  19  -2.226  17.991  -1.340
  120    HA   CYS  19           HA       CYS  19  -1.459  20.756  -1.053
  121   1HB   CYS  19          1HB       CYS  19   0.044  18.152  -0.610
  122   2HB   CYS  19          2HB       CYS  19   0.728  19.731  -0.272
  123    H    ARG  20           H        ARG  20   1.009  21.135  -1.627
  124    HA   ARG  20           HA       ARG  20   1.629  20.377  -4.399
  125   1HB   ARG  20          1HB       ARG  20   1.314  23.213  -3.414
  126   2HB   ARG  20          2HB       ARG  20   2.453  22.806  -4.684
  127   1HG   ARG  20          1HG       ARG  20   0.840  22.873  -6.203
  128   2HG   ARG  20          2HG       ARG  20   0.067  21.483  -5.486
  129   1HD   ARG  20          1HD       ARG  20  -0.446  24.389  -4.777
  130   2HD   ARG  20          2HD       ARG  20  -1.440  23.388  -5.836
  131    HE   ARG  20           HE       ARG  20  -1.938  21.919  -3.921
  132   1HH1  ARG  20          2HH2      ARG  20  -0.965  25.261  -3.195
  133   2HH1  ARG  20          1HH2      ARG  20  -1.916  25.384  -1.758
  134   1HH2  ARG  20          2HH1      ARG  20  -3.252  22.108  -2.103
  135   2HH2  ARG  20          1HH1      ARG  20  -3.256  23.504  -1.080
  136    H    GLY  21           H        GLY  21   2.536  19.995  -1.533
  137   1HA   GLY  21          1HA       GLY  21   5.468  20.507  -1.826
  138   2HA   GLY  21          2HA       GLY  21   4.643  20.143  -0.270
  139    H    TRP  22           H        TRP  22   6.710  18.357  -1.614
  140    HA   TRP  22           HA       TRP  22   4.956  16.067  -2.284
  141   1HB   TRP  22          1HB       TRP  22   7.517  16.877  -3.663
  142   2HB   TRP  22          2HB       TRP  22   6.542  15.472  -4.020
  143    HD1  TRP  22           HD       TRP  22   7.235  18.609  -5.443
  144    HE1  TRP  22           1HE      TRP  22   5.321  19.779  -6.659
  145    HE3  TRP  22           3HE      TRP  22   3.301  15.807  -3.706
  146    HZ2  TRP  22           2HZ      TRP  22   2.432  19.590  -6.817
  147    HZ3  TRP  22           3HZ      TRP  22   0.992  16.371  -4.363
  148    HH2  TRP  22           HH       TRP  22   0.539  18.243  -5.915
  149    H    GLU  23           H        GLU  23   5.069  14.835  -0.717
  150    HA   GLU  23           HA       GLU  23   7.477  14.333   0.920
  151   1HB   GLU  23          1HB       GLU  23   5.457  15.030   2.113
  152   2HB   GLU  23          2HB       GLU  23   4.481  13.819   1.291
  153   1HG   GLU  23          1HG       GLU  23   4.808  13.053   3.468
  154   2HG   GLU  23          2HG       GLU  23   5.738  12.020   2.399
  155    HA   PRO  24           HA       PRO  24   7.519  10.513  -1.729
  156   1HB   PRO  24          1HB       PRO  24   9.786   9.370  -0.746
  157   2HB   PRO  24          2HB       PRO  24   9.805  10.751  -1.884
  158   1HG   PRO  24          1HG       PRO  24  10.108  10.821   1.131
  159   2HG   PRO  24          2HG       PRO  24  11.108  11.651  -0.103
  160   1HD   PRO  24          1HD       PRO  24   9.084  12.890   1.228
  161   2HD   PRO  24          2HD       PRO  24   9.441  13.285  -0.478
  162    H    ARG  25           H        ARG  25   6.463   8.739  -1.379
  163    HA   ARG  25           HA       ARG  25   6.553   7.351   1.239
  164   1HB   ARG  25          1HB       ARG  25   4.042   8.226  -0.254
  165   2HB   ARG  25          2HB       ARG  25   4.002   6.886   0.891
  166   1HG   ARG  25          1HG       ARG  25   4.877   9.710   1.602
  167   2HG   ARG  25          2HG       ARG  25   3.272   9.022   1.868
  168   1HD   ARG  25          1HD       ARG  25   4.197   7.280   3.313
  169   2HD   ARG  25          2HD       ARG  25   5.832   7.897   3.083
  170    HE   ARG  25           HE       ARG  25   3.650   9.069   4.656
  171   1HH1  ARG  25          2HH2      ARG  25   6.936   9.705   3.220
  172   2HH1  ARG  25          1HH2      ARG  25   7.208  10.979   4.365
  173   1HH2  ARG  25          2HH1      ARG  25   4.237  10.908   6.097
  174   2HH2  ARG  25          1HH1      ARG  25   5.752  11.696   5.721
  175    H    TRP  26           H        TRP  26   5.240   5.154   0.835
  176    HA   TRP  26           HA       TRP  26   6.252   3.969  -1.715
  177   1HB   TRP  26          1HB       TRP  26   6.117   2.936   1.144
  178   2HB   TRP  26          2HB       TRP  26   6.200   1.849  -0.235
  179    HD1  TRP  26           HD       TRP  26   8.300   4.504   1.596
  180    HE1  TRP  26           1HE      TRP  26  10.764   4.189   0.979
  181    HE3  TRP  26           3HE      TRP  26   7.772   0.753  -1.796
  182    HZ2  TRP  26           2HZ      TRP  26  12.314   2.562  -0.906
  183    HZ3  TRP  26           3HZ      TRP  26   9.692   0.056  -3.226
  184    HH2  TRP  26           HH       TRP  26  11.961   0.818  -2.675
  185    H    ALA  27           H        ALA  27   4.674   2.754  -2.889
  186    HA   ALA  27           HA       ALA  27   2.143   2.163  -1.516
  187   1HB   ALA  27          1HB       ALA  27   1.420   4.172  -2.615
  188   2HB   ALA  27          2HB       ALA  27   2.241   3.706  -4.144
  189   3HB   ALA  27          3HB       ALA  27   0.831   2.821  -3.560
  190    H    TYR  28           H        TYR  28   1.130   0.397  -2.310
  191    HA   TYR  28           HA       TYR  28   2.817  -1.453  -3.813
  192   1HB   TYR  28          1HB       TYR  28   1.469  -2.272  -1.895
  193   2HB   TYR  28          2HB       TYR  28  -0.001  -1.705  -2.669
  194    HD1  TYR  28           1HD      TYR  28  -1.139  -3.015  -4.255
  195    HD2  TYR  28           2HD      TYR  28   2.851  -4.137  -3.095
  196    HE1  TYR  28           1HE      TYR  28  -1.431  -5.163  -5.399
  197    HE2  TYR  28           2HE      TYR  28   2.608  -6.271  -4.340
  198    HH   TYR  28           HH       TYR  28  -0.473  -7.354  -5.636
  199    H    SER  29           H        SER  29   2.512  -2.173  -5.882
  200    HA   SER  29           HA       SER  29   0.282  -1.007  -7.451
  201   1HB   SER  29          1HB       SER  29   3.225  -1.259  -7.996
  202   2HB   SER  29          2HB       SER  29   2.142  -1.143  -9.342
  203    HG   SER  29           HG       SER  29   1.617   0.524  -7.181
  204    HA   PRO  30           HA       PRO  30  -0.247  -5.504  -7.787
  205   1HB   PRO  30          1HB       PRO  30  -2.703  -5.415  -9.116
  206   2HB   PRO  30          2HB       PRO  30  -2.488  -5.455  -7.347
  207   1HG   PRO  30          1HG       PRO  30  -3.073  -3.109  -9.124
  208   2HG   PRO  30          2HG       PRO  30  -3.642  -3.422  -7.460
  209   1HD   PRO  30          1HD       PRO  30  -1.607  -1.680  -8.077
  210   2HD   PRO  30          2HD       PRO  30  -1.688  -2.563  -6.527
  211    H    LEU  31           H        LEU  31  -0.637  -3.017 -10.313
  212    HA   LEU  31           HA       LEU  31  -0.233  -4.683 -12.597
  213   1HB   LEU  31          1HB       LEU  31   0.207  -1.710 -12.113
  214   2HB   LEU  31          2HB       LEU  31   0.508  -2.520 -13.636
  215    HG   LEU  31           HG       LEU  31  -1.999  -3.457 -13.242
  216   1HD1  LEU  31          1HD1      LEU  31  -3.445  -1.652 -12.390
  217   2HD1  LEU  31          2HD1      LEU  31  -2.369  -2.234 -11.123
  218   3HD1  LEU  31          3HD1      LEU  31  -2.020  -0.692 -11.941
  219   1HD2  LEU  31          1HD2      LEU  31  -1.190  -2.320 -15.237
  220   2HD2  LEU  31          2HD2      LEU  31  -2.769  -1.688 -14.753
  221   3HD2  LEU  31          3HD2      LEU  31  -1.292  -0.744 -14.414
  222    H    LEU  32           H        LEU  32   1.986  -3.772 -10.093
  223    HA   LEU  32           HA       LEU  32   4.307  -4.635 -11.747
  224   1HB   LEU  32          1HB       LEU  32   3.936  -2.699  -9.470
  225   2HB   LEU  32          2HB       LEU  32   5.510  -3.366  -9.772
  226    HG   LEU  32           HG       LEU  32   3.948  -1.901 -11.939
  227   1HD1  LEU  32          1HD1      LEU  32   6.069  -0.816 -10.045
  228   2HD1  LEU  32          2HD1      LEU  32   5.439   0.028 -11.478
  229   3HD1  LEU  32          3HD1      LEU  32   4.350  -0.333 -10.137
  230   1HD2  LEU  32          1HD2      LEU  32   6.182  -1.686 -13.013
  231   2HD2  LEU  32          2HD2      LEU  32   6.902  -2.654 -11.704
  232   3HD2  LEU  32          3HD2      LEU  32   5.722  -3.373 -12.816
  233    H    GLN  33           H        GLN  33   2.079  -5.592  -9.532
  234    HA   GLN  33           HA       GLN  33   1.772  -6.947  -7.888
  235   1HB   GLN  33          1HB       GLN  33   2.518  -8.431  -9.833
  236   2HB   GLN  33          2HB       GLN  33   4.059  -8.600  -8.990
  237   1HG   GLN  33          1HG       GLN  33   1.956  -9.059  -7.078
  238   2HG   GLN  33          2HG       GLN  33   1.507  -9.928  -8.534
  239   1HE2  GLN  33          1HE2      GLN  33   4.405  -9.422  -6.445
  240   2HE2  GLN  33          2HE2      GLN  33   4.947 -11.108  -6.561
  241    H    GLN  34           H        GLN  34   3.604  -4.700  -7.310
  242    HA   GLN  34           HA       GLN  34   4.705  -5.593  -4.810
  243   1HB   GLN  34          1HB       GLN  34   6.402  -6.494  -6.601
  244   2HB   GLN  34          2HB       GLN  34   6.866  -4.802  -6.794
  245   1HG   GLN  34          1HG       GLN  34   7.543  -4.709  -4.411
  246   2HG   GLN  34          2HG       GLN  34   6.894  -6.333  -4.158
  247   1HE2  GLN  34          1HE2      GLN  34   8.640  -7.637  -3.866
  248   2HE2  GLN  34          2HE2      GLN  34   9.948  -7.858  -5.027
  249    H    CYS  35           H        CYS  35   6.067  -3.805  -3.824
  250    HA   CYS  35           HA       CYS  35   4.732  -1.245  -4.305
  251   1HB   CYS  35          1HB       CYS  35   6.635  -2.244  -2.164
  252   2HB   CYS  35          2HB       CYS  35   6.017  -0.598  -2.239
  253    H    HIS  36           H        HIS  36   5.615   0.633  -4.536
  254    HA   HIS  36           HA       HIS  36   8.530   0.911  -5.029
  255   1HB   HIS  36          1HB       HIS  36   8.271   2.050  -7.165
  256   2HB   HIS  36          2HB       HIS  36   7.609   0.429  -7.255
  257    HD1  HIS  36           1HD      HIS  36   6.386   4.108  -6.996
  258    HD2  HIS  36           2HD      HIS  36   4.939   0.207  -7.916
  259    HE1  HIS  36           1HE      HIS  36   4.001   4.368  -7.888
  260    HE2  HIS  36           2HE      HIS  36   3.177   1.946  -8.425
  261    HA   PRO  37           HA       PRO  37   7.911   4.820  -2.967
  262   1HB   PRO  37          1HB       PRO  37   9.728   6.116  -4.984
  263   2HB   PRO  37          2HB       PRO  37   9.835   6.135  -3.197
  264   1HG   PRO  37          1HG       PRO  37  11.500   4.579  -4.691
  265   2HG   PRO  37          2HG       PRO  37  10.807   3.982  -3.151
  266   1HD   PRO  37          1HD       PRO  37   9.883   3.392  -5.972
  267   2HD   PRO  37          2HD       PRO  37  10.097   2.280  -4.599
  268    H    PHE  38           H        PHE  38   6.858   7.100  -3.380
  269    HA   PHE  38           HA       PHE  38   6.211   7.782  -6.076
  270   1HB   PHE  38          1HB       PHE  38   3.904   7.461  -6.135
  271   2HB   PHE  38          2HB       PHE  38   4.477   5.937  -5.500
  272    HD1  PHE  38           1HD      PHE  38   2.300   8.753  -4.992
  273    HD2  PHE  38           2HD      PHE  38   4.346   5.595  -2.890
  274    HE1  PHE  38           1HE      PHE  38   0.802   9.064  -3.084
  275    HE2  PHE  38           2HE      PHE  38   2.731   5.860  -0.998
  276    HZ   PHE  38           HZ       PHE  38   0.968   7.579  -1.090
  277    H    VAL  39           H        VAL  39   4.560   9.711  -5.915
  278    HA   VAL  39           HA       VAL  39   5.661  11.571  -3.920
  279    HB   VAL  39           HB       VAL  39   4.090  11.886  -6.535
  280   1HG1  VAL  39          1HG1      VAL  39   4.725  14.354  -6.280
  281   2HG1  VAL  39          2HG1      VAL  39   3.495  13.779  -5.153
  282   3HG1  VAL  39          3HG1      VAL  39   5.153  13.974  -4.594
  283   1HG2  VAL  39          1HG2      VAL  39   6.465  11.185  -6.850
  284   2HG2  VAL  39          2HG2      VAL  39   6.252  12.866  -7.351
  285   3HG2  VAL  39          3HG2      VAL  39   7.004  12.500  -5.786
  286    H    TYR  40           H        TYR  40   4.481  11.958  -2.114
  287    HA   TYR  40           HA       TYR  40   1.522  11.915  -2.224
  288   1HB   TYR  40          1HB       TYR  40   2.136  10.053  -0.943
  289   2HB   TYR  40          2HB       TYR  40   3.507  10.852  -0.221
  290    HD1  TYR  40           1HD      TYR  40   3.371  11.543   1.959
  291    HD2  TYR  40           2HD      TYR  40  -0.256  11.274  -0.374
  292    HE1  TYR  40           1HE      TYR  40   2.048  12.004   3.980
  293    HE2  TYR  40           2HE      TYR  40  -1.579  11.859   1.643
  294    HH   TYR  40           HH       TYR  40  -1.337  12.752   3.877
  295    H    GLY  41           H        GLY  41   0.720  13.580  -0.488
  296   1HA   GLY  41          1HA       GLY  41   2.443  16.013  -0.687
  297   2HA   GLY  41          2HA       GLY  41   0.699  15.963  -0.794
  298    H    GLY  42           H        GLY  42   1.500  13.928   1.777
  299   1HA   GLY  42          1HA       GLY  42   1.852  14.208   4.029
  300   2HA   GLY  42          2HA       GLY  42   2.095  15.947   3.816
  301    H    CYS  43           H        CYS  43  -0.434  16.443   2.502
  302    HA   CYS  43           HA       CYS  43  -2.328  16.368   4.733
  303   1HB   CYS  43          1HB       CYS  43  -3.792  17.583   3.065
  304   2HB   CYS  43          2HB       CYS  43  -2.314  18.384   3.525
  305    H    GLU  44           H        GLU  44  -4.697  15.920   3.655
  306    HA   GLU  44           HA       GLU  44  -5.413  13.383   3.803
  307   1HB   GLU  44          1HB       GLU  44  -6.557  15.196   1.662
  308   2HB   GLU  44          2HB       GLU  44  -7.322  13.803   2.421
  309   1HG   GLU  44          1HG       GLU  44  -8.285  15.539   3.567
  310   2HG   GLU  44          2HG       GLU  44  -7.006  15.066   4.671
  311    H    GLY  45           H        GLY  45  -5.277  11.444   2.698
  312   1HA   GLY  45          1HA       GLY  45  -5.026  11.196  -0.120
  313   2HA   GLY  45          2HA       GLY  45  -3.518  10.770   0.702
  314    H    ASN  46           H        ASN  46  -4.658   8.620  -0.456
  315    HA   ASN  46           HA       ASN  46  -6.638   7.465   1.400
  316   1HB   ASN  46          1HB       ASN  46  -5.581   6.064  -1.056
  317   2HB   ASN  46          2HB       ASN  46  -7.035   5.746  -0.134
  318   1HD2  ASN  46          1HD2      ASN  46  -8.231   5.732  -2.190
  319   2HD2  ASN  46          2HD2      ASN  46  -8.724   7.319  -2.778
  320    H    GLY  47           H        GLY  47  -6.303   4.971   1.547
  321   1HA   GLY  47          1HA       GLY  47  -4.294   4.652   3.561
  322   2HA   GLY  47          2HA       GLY  47  -5.396   3.404   2.995
  323    H    ASN  48           H        ASN  48  -3.903   4.140   0.144
  324    HA   ASN  48           HA       ASN  48  -1.823   2.058   0.597
  325   1HB   ASN  48          1HB       ASN  48  -3.274   1.807  -1.414
  326   2HB   ASN  48          2HB       ASN  48  -2.618   3.332  -2.037
  327   1HD2  ASN  48          1HD2      ASN  48  -2.244   1.280  -3.634
  328   2HD2  ASN  48          2HD2      ASN  48  -0.620   0.661  -3.659
  329    H    ASN  49           H        ASN  49  -0.954   3.574   2.133
  330    HA   ASN  49           HA       ASN  49   1.073   5.343   0.886
  331   1HB   ASN  49          1HB       ASN  49  -0.877   6.750   1.588
  332   2HB   ASN  49          2HB       ASN  49  -0.781   6.083   3.212
  333   1HD2  ASN  49          1HD2      ASN  49  -0.218   8.832   1.695
  334   2HD2  ASN  49          2HD2      ASN  49   1.178   9.420   2.533
  335    H    PHE  50           H        PHE  50   2.827   4.202   1.476
  336    HA   PHE  50           HA       PHE  50   2.960   3.074   4.198
  337   1HB   PHE  50          1HB       PHE  50   4.212   2.049   1.651
  338   2HB   PHE  50          2HB       PHE  50   4.597   1.441   3.193
  339    HD1  PHE  50           1HD      PHE  50   2.899   0.354   4.672
  340    HD2  PHE  50           2HD      PHE  50   1.894   1.590   0.661
  341    HE1  PHE  50           1HE      PHE  50   0.746  -0.851   4.838
  342    HE2  PHE  50           2HE      PHE  50  -0.251   0.351   0.839
  343    HZ   PHE  50           HZ       PHE  50  -0.854  -0.800   2.944
  344    H    HIS  51           H        HIS  51   4.854   2.993   5.143
  345    HA   HIS  51           HA       HIS  51   6.227   5.601   5.084
  346   1HB   HIS  51          1HB       HIS  51   6.448   3.330   7.101
  347   2HB   HIS  51          2HB       HIS  51   6.616   5.042   7.360
  348    HD1  HIS  51           1HD      HIS  51   4.254   2.349   7.996
  349    HD2  HIS  51           2HD      HIS  51   3.863   6.167   6.225
  350    HE1  HIS  51           1HE      HIS  51   1.733   2.757   7.634
  351    HE2  HIS  51           2HE      HIS  51   1.521   5.062   6.529
  352    H    SER  52           H        SER  52   6.717   2.361   4.179
  353    HA   SER  52           HA       SER  52   9.595   2.742   3.651
  354   1HB   SER  52          1HB       SER  52   9.945   0.562   5.101
  355   2HB   SER  52          2HB       SER  52   9.816   2.115   5.930
  356    HG   SER  52           HG       SER  52   8.372   0.250   6.729
  357    H    ARG  53           H        ARG  53  10.493   0.750   2.724
  358    HA   ARG  53           HA       ARG  53   8.854  -0.436   0.641
  359   1HB   ARG  53          1HB       ARG  53  11.226  -0.131   0.338
  360   2HB   ARG  53          2HB       ARG  53  11.578  -1.141   1.742
  361   1HG   ARG  53          1HG       ARG  53  11.924  -2.325  -0.305
  362   2HG   ARG  53          2HG       ARG  53  10.672  -3.102   0.647
  363   1HD   ARG  53          1HD       ARG  53   8.984  -2.018  -0.950
  364   2HD   ARG  53          2HD       ARG  53  10.344  -1.494  -1.926
  365    HE   ARG  53           HE       ARG  53  10.130  -4.328  -1.093
  366   1HH1  ARG  53          2HH2      ARG  53   9.532  -2.424  -4.090
  367   2HH1  ARG  53          1HH2      ARG  53  10.104  -3.755  -5.037
  368   1HH2  ARG  53          2HH1      ARG  53  10.552  -5.883  -2.339
  369   2HH2  ARG  53          1HH1      ARG  53  10.676  -5.766  -4.064
  370    H    GLU  54           H        GLU  54  10.144  -1.518   3.756
  371    HA   GLU  54           HA       GLU  54   9.249  -4.078   4.118
  372   1HB   GLU  54          1HB       GLU  54  10.745  -3.076   5.580
  373   2HB   GLU  54          2HB       GLU  54   9.861  -1.620   5.736
  374   1HG   GLU  54          1HG       GLU  54   8.324  -3.743   7.011
  375   2HG   GLU  54          2HG       GLU  54  10.004  -3.808   7.550
  376    H    SER  55           H        SER  55   7.533  -1.439   5.730
  377    HA   SER  55           HA       SER  55   5.233  -2.808   6.185
  378   1HB   SER  55          1HB       SER  55   4.008  -0.646   6.429
  379   2HB   SER  55          2HB       SER  55   5.557  -0.728   7.270
  380    HG   SER  55           HG       SER  55   6.481   0.566   5.779
  381    H    CYS  56           H        CYS  56   5.969  -1.254   3.160
  382    HA   CYS  56           HA       CYS  56   3.316  -1.509   2.028
  383   1HB   CYS  56          1HB       CYS  56   5.372   0.003   1.410
  384   2HB   CYS  56          2HB       CYS  56   5.966  -1.380   0.532
  385    H    GLU  57           H        GLU  57   6.323  -3.409   1.817
  386    HA   GLU  57           HA       GLU  57   5.059  -5.437   0.195
  387   1HB   GLU  57          1HB       GLU  57   7.681  -5.485   1.670
  388   2HB   GLU  57          2HB       GLU  57   6.969  -6.948   0.952
  389   1HG   GLU  57          1HG       GLU  57   6.627  -5.542  -1.206
  390   2HG   GLU  57          2HG       GLU  57   7.723  -4.380  -0.482
  391    H    ASP  58           H        ASP  58   5.198  -4.959   3.714
  392    HA   ASP  58           HA       ASP  58   3.951  -7.450   4.372
  393   1HB   ASP  58          1HB       ASP  58   4.680  -6.201   6.250
  394   2HB   ASP  58          2HB       ASP  58   3.818  -4.750   5.749
  395    H    ALA  59           H        ALA  59   2.527  -4.283   3.241
  396    HA   ALA  59           HA       ALA  59  -0.168  -5.193   3.397
  397   1HB   ALA  59          1HB       ALA  59  -0.754  -3.477   1.835
  398   2HB   ALA  59          2HB       ALA  59   0.473  -2.866   2.969
  399   3HB   ALA  59          3HB       ALA  59   0.923  -3.283   1.300
  400    H    CYS  60           H        CYS  60   2.040  -5.253   0.539
  401    HA   CYS  60           HA       CYS  60   1.282  -7.877  -0.088
  402   1HB   CYS  60          1HB       CYS  60   0.247  -5.673  -1.811
  403   2HB   CYS  60          2HB       CYS  60   0.717  -7.104  -2.565
  404    HA   PRO  61           HA       PRO  61   1.423  -8.910  -2.487
  405   1HB   PRO  61          1HB       PRO  61   2.988 -10.867  -3.544
  406   2HB   PRO  61          2HB       PRO  61   2.732  -9.294  -4.358
  407   1HG   PRO  61          1HG       PRO  61   5.077 -10.115  -2.602
  408   2HG   PRO  61          2HG       PRO  61   5.126  -9.350  -4.219
  409   1HD   PRO  61          1HD       PRO  61   5.319  -7.911  -1.885
  410   2HD   PRO  61          2HD       PRO  61   4.541  -7.255  -3.351
  411    H    VAL  62           H        VAL  62   0.473  -9.645  -0.628
  412    HA   VAL  62           HA       VAL  62   1.536 -11.951   0.773
  413    HB   VAL  62           HB       VAL  62   0.764  -9.332   2.140
  414   1HG1  VAL  62          1HG1      VAL  62   1.507 -10.458   4.278
  415   2HG1  VAL  62          2HG1      VAL  62  -0.033 -10.986   3.661
  416   3HG1  VAL  62          3HG1      VAL  62   1.424 -12.010   3.420
  417   1HG2  VAL  62          1HG2      VAL  62   3.105  -9.313   1.317
  418   2HG2  VAL  62          2HG2      VAL  62   3.088  -9.393   3.061
  419   3HG2  VAL  62          3HG2      VAL  62   3.419 -10.862   2.113
  420    H    VAL  63           H        VAL  63  -0.502 -12.277   2.460
  421    HA   VAL  63           HA       VAL  63  -2.820 -12.737   0.713
  422    HB   VAL  63           HB       VAL  63  -2.588 -13.260   3.686
  423   1HG1  VAL  63          1HG1      VAL  63  -4.247 -15.056   3.237
  424   2HG1  VAL  63          2HG1      VAL  63  -4.857 -13.445   2.842
  425   3HG1  VAL  63          3HG1      VAL  63  -4.324 -14.538   1.539
  426   1HG2  VAL  63          1HG2      VAL  63  -1.767 -15.143   1.427
  427   2HG2  VAL  63          2HG2      VAL  63  -0.706 -14.484   2.689
  428   3HG2  VAL  63          3HG2      VAL  63  -1.966 -15.628   3.128
  429    H    ASP  64           H        ASP  64  -4.814 -11.771   1.118
  430    HA   ASP  64           HA       ASP  64  -5.108  -9.060   1.741
  431   1HB   ASP  64          1HB       ASP  64  -6.880 -10.128   0.582
  432   2HB   ASP  64          2HB       ASP  64  -6.981 -11.448   1.748
  433    H    HIS  65           H        HIS  65  -5.028  -7.922   3.642
  434    HA   HIS  65           HA       HIS  65  -4.602  -9.276   6.120
  435   1HB   HIS  65          1HB       HIS  65  -4.857  -6.339   5.361
  436   2HB   HIS  65          2HB       HIS  65  -4.474  -6.902   6.985
  437    HD1  HIS  65           1HD      HIS  65  -1.815  -7.088   7.417
  438    HD2  HIS  65           2HD      HIS  65  -2.981  -7.354   3.332
  439    HE1  HIS  65           1HE      HIS  65   0.295  -7.383   6.045
  440    HE2  HIS  65           2HE      HIS  65  -0.385  -7.522   3.618
  441    H    HIS  66           H        HIS  66  -6.587 -10.423   5.961
  442    HA   HIS  66           HA       HIS  66  -9.066 -10.040   5.650
  443   1HB   HIS  66          1HB       HIS  66  -8.113 -11.525   8.103
  444   2HB   HIS  66          2HB       HIS  66  -9.661 -11.753   7.294
  445    HD1  HIS  66           1HD      HIS  66  -8.439 -11.683   4.241
  446    HD2  HIS  66           2HD      HIS  66  -6.909 -13.820   7.561
  447    HE1  HIS  66           1HE      HIS  66  -7.112 -13.617   3.292
  448    HE2  HIS  66           2HE      HIS  66  -6.122 -14.907   5.303
  449    H    HIS  67           H        HIS  67  -9.453  -7.802   5.963
  450    HA   HIS  67           HA       HIS  67 -10.652  -6.893   8.469
  451   1HB   HIS  67          1HB       HIS  67 -11.664  -5.288   6.374
  452   2HB   HIS  67          2HB       HIS  67 -10.288  -4.916   7.390
  453    HD1  HIS  67           1HD      HIS  67  -8.121  -4.459   6.058
  454    HD2  HIS  67           2HD      HIS  67 -10.839  -7.052   4.114
  455    HE1  HIS  67           1HE      HIS  67  -6.909  -5.415   3.990
  456    HE2  HIS  67           2HE      HIS  67  -8.560  -6.998   2.848
  457    H    HIS  68           H        HIS  68 -12.736  -7.455   9.029
  458    HA   HIS  68           HA       HIS  68 -14.357  -9.216   7.351
  459   1HB   HIS  68          1HB       HIS  68 -14.244  -9.509   9.799
  460   2HB   HIS  68          2HB       HIS  68 -14.901  -7.888  10.040
  461    HD1  HIS  68           1HD      HIS  68 -17.481  -7.652   9.950
  462    HD2  HIS  68           2HD      HIS  68 -16.029 -11.149   8.150
  463    HE1  HIS  68           1HE      HIS  68 -19.522  -8.949   9.092
  464    HE2  HIS  68           2HE      HIS  68 -18.549 -10.956   7.847
  465    H    HIS  69           H        HIS  69 -14.185  -7.341   5.585
  466    HA   HIS  69           HA       HIS  69 -16.168  -5.238   5.905
  467   1HB   HIS  69          1HB       HIS  69 -14.132  -5.338   4.247
  468   2HB   HIS  69          2HB       HIS  69 -15.237  -6.204   3.186
  469    HD1  HIS  69           1HD      HIS  69 -14.114  -3.319   2.305
  470    HD2  HIS  69           2HD      HIS  69 -17.562  -3.831   4.720
  471    HE1  HIS  69           1HE      HIS  69 -15.449  -1.217   2.144
  472    HE2  HIS  69           2HE      HIS  69 -17.414  -1.467   3.826
  473    H    HIS  70           H        HIS  70 -16.373  -8.660   5.146
  474    HA   HIS  70           HA       HIS  70 -19.225  -8.498   4.937
  475   1HB   HIS  70          1HB       HIS  70 -18.454  -8.544   2.527
  476   2HB   HIS  70          2HB       HIS  70 -17.546 -10.020   2.881
  477    HD1  HIS  70           1HD      HIS  70 -20.025 -11.230   4.706
  478    HD2  HIS  70           2HD      HIS  70 -20.053  -9.786   0.738
  479    HE1  HIS  70           1HE      HIS  70 -22.059 -12.363   3.516
  480    HE2  HIS  70           2HE      HIS  70 -22.051 -11.455   1.089
  Start of MODEL    8
    1   1H    GLU   1          1H        GLU   1 -17.430 -10.602  -2.792
    2   2H    GLU   1          2H        GLU   1 -17.057  -8.990  -2.448
    3   3H    GLU   1          H         GLU   1 -16.974 -10.121  -1.302
    4    HA   GLU   1           HA       GLU   1 -15.304 -10.376  -3.671
    5   1HB   GLU   1          1HB       GLU   1 -15.172  -8.161  -2.024
    6   2HB   GLU   1          2HB       GLU   1 -14.063  -9.248  -1.198
    7   1HG   GLU   1          1HG       GLU   1 -14.011  -8.295  -4.101
    8   2HG   GLU   1          2HG       GLU   1 -12.859  -7.872  -2.826
    9    H    ALA   2           H        ALA   2 -13.065 -11.382  -2.199
   10    HA   ALA   2           HA       ALA   2 -13.981 -13.578  -0.493
   11   1HB   ALA   2          1HB       ALA   2 -11.226 -12.343  -1.005
   12   2HB   ALA   2          2HB       ALA   2 -11.553 -13.839  -0.087
   13   3HB   ALA   2          3HB       ALA   2 -11.888 -13.767  -1.825
   14    H    GLU   3           H        GLU   3 -11.537 -12.144   1.214
   15    HA   GLU   3           HA       GLU   3 -13.449 -11.056   3.114
   16   1HB   GLU   3          1HB       GLU   3 -10.499 -11.561   3.156
   17   2HB   GLU   3          2HB       GLU   3 -11.229 -10.502   4.380
   18   1HG   GLU   3          1HG       GLU   3 -12.838 -12.228   5.015
   19   2HG   GLU   3          2HG       GLU   3 -12.278 -13.290   3.725
   20    H    ALA   4           H        ALA   4 -11.236  -9.697   0.765
   21    HA   ALA   4           HA       ALA   4 -10.883  -7.127   1.518
   22   1HB   ALA   4          1HB       ALA   4 -10.086  -6.825  -0.752
   23   2HB   ALA   4          2HB       ALA   4  -9.667  -8.452  -0.215
   24   3HB   ALA   4          3HB       ALA   4 -11.038  -8.211  -1.312
   25    H    GLU   5           H        GLU   5 -13.939  -7.695   1.462
   26    HA   GLU   5           HA       GLU   5 -15.305  -6.077  -0.415
   27   1HB   GLU   5          1HB       GLU   5 -15.946  -6.097   2.559
   28   2HB   GLU   5          2HB       GLU   5 -17.062  -5.801   1.238
   29   1HG   GLU   5          1HG       GLU   5 -15.676  -8.435   1.838
   30   2HG   GLU   5          2HG       GLU   5 -17.276  -8.000   2.420
   31    H    PHE   6           H        PHE   6 -13.730  -5.192   2.636
   32    HA   PHE   6           HA       PHE   6 -13.985  -2.277   2.101
   33   1HB   PHE   6          1HB       PHE   6 -14.363  -3.144   4.422
   34   2HB   PHE   6          2HB       PHE   6 -12.732  -3.782   4.446
   35    HD1  PHE   6           1HD      PHE   6 -10.745  -2.126   4.301
   36    HD2  PHE   6           2HD      PHE   6 -14.829  -0.842   4.889
   37    HE1  PHE   6           1HE      PHE   6  -9.945   0.057   5.120
   38    HE2  PHE   6           2HE      PHE   6 -14.011   1.341   5.721
   39    HZ   PHE   6           HZ       PHE   6 -11.570   1.797   5.846
   40    H    THR   7           H        THR   7 -12.710  -2.048   0.307
   41    HA   THR   7           HA       THR   7 -10.827  -3.424  -0.798
   42    HB   THR   7           HB       THR   7 -10.549  -0.411  -0.595
   43    HG1  THR   7           1HG      THR   7 -12.501  -1.954  -1.965
   44   1HG2  THR   7          1HG2      THR   7 -10.071  -0.566  -3.008
   45   2HG2  THR   7          2HG2      THR   7  -8.919  -1.537  -2.079
   46   3HG2  THR   7          3HG2      THR   7 -10.250  -2.332  -2.949
   47    H    ASP   8           H        ASP   8  -9.000  -4.374  -0.256
   48    HA   ASP   8           HA       ASP   8  -7.332  -3.705   2.015
   49   1HB   ASP   8          1HB       ASP   8  -7.584  -5.959   0.705
   50   2HB   ASP   8          2HB       ASP   8  -6.440  -5.249  -0.431
   51    H    ALA   9           H        ALA   9  -5.136  -2.847   1.871
   52    HA   ALA   9           HA       ALA   9  -4.921  -0.433   0.291
   53   1HB   ALA   9          1HB       ALA   9  -2.589  -0.409   1.141
   54   2HB   ALA   9          2HB       ALA   9  -3.764  -0.636   2.450
   55   3HB   ALA   9          3HB       ALA   9  -2.829  -2.023   1.836
   56    H    CYS  10           H        CYS  10  -3.990  -3.785  -0.012
   57    HA   CYS  10           HA       CYS  10  -2.210  -3.811  -2.166
   58   1HB   CYS  10          1HB       CYS  10  -3.125  -5.643  -0.615
   59   2HB   CYS  10          2HB       CYS  10  -4.494  -5.754  -1.706
   60    H    VAL  11           H        VAL  11  -5.750  -3.396  -2.185
   61    HA   VAL  11           HA       VAL  11  -5.903  -3.547  -5.137
   62    HB   VAL  11           HB       VAL  11  -8.085  -3.651  -3.011
   63   1HG1  VAL  11          1HG1      VAL  11  -9.474  -4.672  -4.829
   64   2HG1  VAL  11          2HG1      VAL  11  -9.056  -3.000  -5.166
   65   3HG1  VAL  11          3HG1      VAL  11  -8.180  -4.305  -5.991
   66   1HG2  VAL  11          1HG2      VAL  11  -8.197  -6.093  -3.530
   67   2HG2  VAL  11          2HG2      VAL  11  -6.736  -5.928  -4.526
   68   3HG2  VAL  11          3HG2      VAL  11  -6.678  -5.646  -2.775
   69    H    LEU  12           H        LEU  12  -5.247  -1.088  -2.914
   70    HA   LEU  12           HA       LEU  12  -7.234   0.779  -4.086
   71   1HB   LEU  12          1HB       LEU  12  -7.749   0.661  -1.921
   72   2HB   LEU  12          2HB       LEU  12  -6.098   0.328  -1.389
   73    HG   LEU  12           HG       LEU  12  -5.806   2.925  -2.075
   74   1HD1  LEU  12          1HD1      LEU  12  -7.704   4.242  -1.817
   75   2HD1  LEU  12          2HD1      LEU  12  -8.421   2.863  -2.664
   76   3HD1  LEU  12          3HD1      LEU  12  -8.612   2.975  -0.927
   77   1HD2  LEU  12          1HD2      LEU  12  -6.067   3.402   0.274
   78   2HD2  LEU  12          2HD2      LEU  12  -7.080   1.951   0.516
   79   3HD2  LEU  12          3HD2      LEU  12  -5.370   1.802   0.101
   80    HA   PRO  13           HA       PRO  13  -3.709   2.565  -5.986
   81   1HB   PRO  13          1HB       PRO  13  -4.653   5.091  -6.667
   82   2HB   PRO  13          2HB       PRO  13  -4.997   3.577  -7.531
   83   1HG   PRO  13          1HG       PRO  13  -6.720   5.115  -5.605
   84   2HG   PRO  13          2HG       PRO  13  -7.230   4.118  -7.001
   85   1HD   PRO  13          1HD       PRO  13  -7.243   3.378  -4.282
   86   2HD   PRO  13          2HD       PRO  13  -7.391   2.224  -5.620
   87    H    ALA  14           H        ALA  14  -2.269   4.345  -5.941
   88    HA   ALA  14           HA       ALA  14  -1.491   5.154  -3.235
   89   1HB   ALA  14          1HB       ALA  14  -0.327   5.973  -5.948
   90   2HB   ALA  14          2HB       ALA  14   0.455   6.096  -4.361
   91   3HB   ALA  14          3HB       ALA  14   0.133   4.503  -5.076
   92    H    VAL  15           H        VAL  15  -2.572   6.896  -2.305
   93    HA   VAL  15           HA       VAL  15  -3.631   9.015  -4.102
   94    HB   VAL  15           HB       VAL  15  -3.958   8.830  -1.114
   95   1HG1  VAL  15          1HG1      VAL  15  -5.395  10.446  -3.266
   96   2HG1  VAL  15          2HG1      VAL  15  -5.943  10.324  -1.587
   97   3HG1  VAL  15          3HG1      VAL  15  -4.389  11.067  -1.929
   98   1HG2  VAL  15          1HG2      VAL  15  -6.286   8.018  -1.614
   99   2HG2  VAL  15          2HG2      VAL  15  -5.824   7.840  -3.316
  100   3HG2  VAL  15          3HG2      VAL  15  -5.043   6.840  -2.068
  101    H    GLN  16           H        GLN  16  -2.665  10.846  -4.283
  102    HA   GLN  16           HA       GLN  16  -0.039  11.349  -2.996
  103   1HB   GLN  16          1HB       GLN  16  -1.385  12.815  -5.304
  104   2HB   GLN  16          2HB       GLN  16   0.286  12.990  -4.759
  105   1HG   GLN  16          1HG       GLN  16   0.663  10.555  -5.351
  106   2HG   GLN  16          2HG       GLN  16  -0.963  10.509  -6.034
  107   1HE2  GLN  16          1HE2      GLN  16   2.210  12.147  -6.324
  108   2HE2  GLN  16          2HE2      GLN  16   1.972  12.606  -8.023
  109    H    GLY  17           H        GLY  17  -3.316  12.561  -3.023
  110   1HA   GLY  17          1HA       GLY  17  -4.373  13.992  -1.634
  111   2HA   GLY  17          2HA       GLY  17  -2.848  14.494  -0.887
  112    HA   PRO  18           HA       PRO  18  -4.328  17.487  -4.255
  113   1HB   PRO  18          1HB       PRO  18  -5.530  19.510  -2.853
  114   2HB   PRO  18          2HB       PRO  18  -6.353  17.979  -3.265
  115   1HG   PRO  18          1HG       PRO  18  -4.967  18.695  -0.656
  116   2HG   PRO  18          2HG       PRO  18  -6.616  18.030  -0.894
  117   1HD   PRO  18          1HD       PRO  18  -4.494  16.425  -0.306
  118   2HD   PRO  18          2HD       PRO  18  -5.769  15.880  -1.407
  119    H    CYS  19           H        CYS  19  -2.017  17.709  -1.802
  120    HA   CYS  19           HA       CYS  19  -1.373  20.497  -1.876
  121   1HB   CYS  19          1HB       CYS  19   0.267  18.102  -0.979
  122   2HB   CYS  19          2HB       CYS  19   0.684  19.773  -0.650
  123    H    ARG  20           H        ARG  20   1.111  20.993  -2.207
  124    HA   ARG  20           HA       ARG  20   2.133  19.913  -4.749
  125   1HB   ARG  20          1HB       ARG  20   1.588  22.817  -4.161
  126   2HB   ARG  20          2HB       ARG  20   2.902  22.335  -5.216
  127   1HG   ARG  20          1HG       ARG  20   1.526  22.101  -6.934
  128   2HG   ARG  20          2HG       ARG  20   0.655  20.815  -6.135
  129   1HD   ARG  20          1HD       ARG  20   0.062  23.772  -5.785
  130   2HD   ARG  20          2HD       ARG  20  -0.721  22.735  -6.984
  131    HE   ARG  20           HE       ARG  20  -1.413  21.298  -4.970
  132   1HH1  ARG  20          2HH2      ARG  20  -1.277  24.847  -4.935
  133   2HH1  ARG  20          1HH2      ARG  20  -2.606  25.041  -3.846
  134   1HH2  ARG  20          2HH1      ARG  20  -3.201  21.545  -3.608
  135   2HH2  ARG  20          1HH1      ARG  20  -3.733  23.084  -3.025
  136    H    GLY  21           H        GLY  21   2.681  19.906  -1.768
  137   1HA   GLY  21          1HA       GLY  21   5.593  20.617  -1.736
  138   2HA   GLY  21          2HA       GLY  21   4.616  20.153  -0.298
  139    H    TRP  22           H        TRP  22   7.010  18.552  -1.342
  140    HA   TRP  22           HA       TRP  22   5.569  16.155  -2.297
  141   1HB   TRP  22          1HB       TRP  22   8.246  17.171  -3.236
  142   2HB   TRP  22          2HB       TRP  22   7.456  15.702  -3.757
  143    HD1  TRP  22           HD       TRP  22   8.226  18.720  -5.206
  144    HE1  TRP  22           1HE      TRP  22   6.507  19.730  -6.799
  145    HE3  TRP  22           3HE      TRP  22   4.074  16.017  -3.814
  146    HZ2  TRP  22           2HZ      TRP  22   3.700  19.411  -7.423
  147    HZ3  TRP  22           3HZ      TRP  22   1.917  16.411  -4.902
  148    HH2  TRP  22           HH       TRP  22   1.705  18.080  -6.729
  149    H    GLU  23           H        GLU  23   5.515  14.882  -0.810
  150    HA   GLU  23           HA       GLU  23   7.672  14.344   1.162
  151   1HB   GLU  23          1HB       GLU  23   5.715  15.273   2.184
  152   2HB   GLU  23          2HB       GLU  23   4.638  14.326   1.169
  153   1HG   GLU  23          1HG       GLU  23   4.409  13.398   3.241
  154   2HG   GLU  23          2HG       GLU  23   5.386  12.255   2.338
  155    HA   PRO  24           HA       PRO  24   7.666  10.515  -1.499
  156   1HB   PRO  24          1HB       PRO  24   9.783   9.261  -0.371
  157   2HB   PRO  24          2HB       PRO  24   9.974  10.679  -1.448
  158   1HG   PRO  24          1HG       PRO  24   9.994  10.629   1.585
  159   2HG   PRO  24          2HG       PRO  24  11.153  11.438   0.484
  160   1HD   PRO  24          1HD       PRO  24   9.079  12.758   1.657
  161   2HD   PRO  24          2HD       PRO  24   9.624  13.172   0.004
  162    H    ARG  25           H        ARG  25   6.560   8.788  -1.302
  163    HA   ARG  25           HA       ARG  25   6.333   7.365   1.283
  164   1HB   ARG  25          1HB       ARG  25   4.016   8.295  -0.475
  165   2HB   ARG  25          2HB       ARG  25   3.836   6.979   0.690
  166   1HG   ARG  25          1HG       ARG  25   4.702   9.800   1.412
  167   2HG   ARG  25          2HG       ARG  25   3.069   9.152   1.544
  168   1HD   ARG  25          1HD       ARG  25   3.836   7.438   3.138
  169   2HD   ARG  25          2HD       ARG  25   5.485   8.056   3.048
  170    HE   ARG  25           HE       ARG  25   3.112   9.315   4.232
  171   1HH1  ARG  25          2HH2      ARG  25   6.554   9.758   3.299
  172   2HH1  ARG  25          1HH2      ARG  25   6.817  11.097   4.293
  173   1HH2  ARG  25          2HH1      ARG  25   3.493  11.272   5.528
  174   2HH2  ARG  25          1HH1      ARG  25   5.071  11.982   5.523
  175    H    TRP  26           H        TRP  26   5.097   5.255   0.754
  176    HA   TRP  26           HA       TRP  26   6.157   4.026  -1.738
  177   1HB   TRP  26          1HB       TRP  26   6.058   3.091   1.165
  178   2HB   TRP  26          2HB       TRP  26   6.169   1.963  -0.174
  179    HD1  TRP  26           HD       TRP  26   8.222   4.719   1.570
  180    HE1  TRP  26           1HE      TRP  26  10.697   4.355   1.033
  181    HE3  TRP  26           3HE      TRP  26   7.738   0.795  -1.586
  182    HZ2  TRP  26           2HZ      TRP  26  12.269   2.651  -0.784
  183    HZ3  TRP  26           3HZ      TRP  26   9.648   0.076  -3.039
  184    HH2  TRP  26           HH       TRP  26  11.925   0.848  -2.496
  185    H    ALA  27           H        ALA  27   4.567   2.776  -2.834
  186    HA   ALA  27           HA       ALA  27   2.104   2.126  -1.382
  187   1HB   ALA  27          1HB       ALA  27   2.037   3.753  -3.953
  188   2HB   ALA  27          2HB       ALA  27   0.679   2.794  -3.358
  189   3HB   ALA  27          3HB       ALA  27   1.253   4.129  -2.379
  190    H    TYR  28           H        TYR  28   1.091   0.357  -2.179
  191    HA   TYR  28           HA       TYR  28   2.744  -1.412  -3.805
  192   1HB   TYR  28          1HB       TYR  28   1.469  -2.313  -1.880
  193   2HB   TYR  28          2HB       TYR  28  -0.035  -1.749  -2.593
  194    HD1  TYR  28           1HD      TYR  28  -1.217  -3.086  -4.098
  195    HD2  TYR  28           2HD      TYR  28   2.895  -4.025  -3.283
  196    HE1  TYR  28           1HE      TYR  28  -1.491  -5.214  -5.301
  197    HE2  TYR  28           2HE      TYR  28   2.668  -6.138  -4.582
  198    HH   TYR  28           HH       TYR  28  -0.449  -7.330  -5.700
  199    H    SER  29           H        SER  29   2.367  -2.070  -5.876
  200    HA   SER  29           HA       SER  29   0.101  -0.842  -7.347
  201   1HB   SER  29          1HB       SER  29   3.028  -1.109  -7.986
  202   2HB   SER  29          2HB       SER  29   1.902  -0.902  -9.287
  203    HG   SER  29           HG       SER  29   1.510   0.670  -7.027
  204    HA   PRO  30           HA       PRO  30  -0.444  -5.344  -7.768
  205   1HB   PRO  30          1HB       PRO  30  -2.934  -5.261  -8.991
  206   2HB   PRO  30          2HB       PRO  30  -2.676  -5.221  -7.225
  207   1HG   PRO  30          1HG       PRO  30  -3.178  -2.911  -9.100
  208   2HG   PRO  30          2HG       PRO  30  -3.864  -3.194  -7.468
  209   1HD   PRO  30          1HD       PRO  30  -1.789  -1.494  -7.903
  210   2HD   PRO  30          2HD       PRO  30  -1.884  -2.479  -6.413
  211    H    LEU  31           H        LEU  31  -0.943  -2.807 -10.195
  212    HA   LEU  31           HA       LEU  31  -0.617  -4.385 -12.544
  213   1HB   LEU  31          1HB       LEU  31  -0.343  -1.459 -11.915
  214   2HB   LEU  31          2HB       LEU  31   0.070  -2.080 -13.509
  215    HG   LEU  31           HG       LEU  31  -2.616  -2.691 -12.219
  216   1HD1  LEU  31          1HD1      LEU  31  -3.525  -0.855 -13.562
  217   2HD1  LEU  31          2HD1      LEU  31  -2.342  -0.270 -12.376
  218   3HD1  LEU  31          3HD1      LEU  31  -1.878  -0.421 -14.092
  219   1HD2  LEU  31          1HD2      LEU  31  -2.040  -4.167 -14.129
  220   2HD2  LEU  31          2HD2      LEU  31  -3.330  -3.055 -14.578
  221   3HD2  LEU  31          3HD2      LEU  31  -1.669  -2.751 -15.128
  222    H    LEU  32           H        LEU  32   1.707  -3.540 -10.128
  223    HA   LEU  32           HA       LEU  32   3.960  -4.293 -11.925
  224   1HB   LEU  32          1HB       LEU  32   3.684  -2.457  -9.554
  225   2HB   LEU  32          2HB       LEU  32   5.248  -3.093  -9.966
  226    HG   LEU  32           HG       LEU  32   3.561  -1.555 -11.982
  227   1HD1  LEU  32          1HD1      LEU  32   4.048  -0.062 -10.126
  228   2HD1  LEU  32          2HD1      LEU  32   5.772  -0.527 -10.157
  229   3HD1  LEU  32          3HD1      LEU  32   5.051   0.374 -11.511
  230   1HD2  LEU  32          1HD2      LEU  32   5.304  -2.965 -13.010
  231   2HD2  LEU  32          2HD2      LEU  32   5.735  -1.264 -13.157
  232   3HD2  LEU  32          3HD2      LEU  32   6.531  -2.278 -11.929
  233    H    GLN  33           H        GLN  33   1.850  -5.362  -9.639
  234    HA   GLN  33           HA       GLN  33   1.657  -6.767  -8.009
  235   1HB   GLN  33          1HB       GLN  33   2.279  -8.184 -10.050
  236   2HB   GLN  33          2HB       GLN  33   3.872  -8.375  -9.314
  237   1HG   GLN  33          1HG       GLN  33   1.891  -8.904  -7.290
  238   2HG   GLN  33          2HG       GLN  33   1.361  -9.732  -8.742
  239   1HE2  GLN  33          1HE2      GLN  33   4.314  -9.298  -6.723
  240   2HE2  GLN  33          2HE2      GLN  33   4.856 -10.979  -6.927
  241    H    GLN  34           H        GLN  34   3.439  -4.523  -7.436
  242    HA   GLN  34           HA       GLN  34   4.842  -5.562  -5.123
  243   1HB   GLN  34          1HB       GLN  34   6.349  -6.096  -7.232
  244   2HB   GLN  34          2HB       GLN  34   6.655  -4.355  -7.224
  245   1HG   GLN  34          1HG       GLN  34   7.589  -4.523  -4.930
  246   2HG   GLN  34          2HG       GLN  34   7.239  -6.254  -4.921
  247   1HE2  GLN  34          1HE2      GLN  34   8.197  -7.291  -7.237
  248   2HE2  GLN  34          2HE2      GLN  34   9.885  -6.869  -7.444
  249    H    CYS  35           H        CYS  35   6.106  -3.766  -4.082
  250    HA   CYS  35           HA       CYS  35   4.651  -1.209  -4.309
  251   1HB   CYS  35          1HB       CYS  35   6.591  -2.368  -2.298
  252   2HB   CYS  35          2HB       CYS  35   6.187  -0.663  -2.312
  253    H    HIS  36           H        HIS  36   5.552   0.689  -4.430
  254    HA   HIS  36           HA       HIS  36   8.426   0.965  -5.057
  255   1HB   HIS  36          1HB       HIS  36   8.132   2.139  -7.165
  256   2HB   HIS  36          2HB       HIS  36   7.441   0.531  -7.273
  257    HD1  HIS  36           1HD      HIS  36   6.316   4.230  -6.959
  258    HD2  HIS  36           2HD      HIS  36   4.734   0.375  -7.858
  259    HE1  HIS  36           1HE      HIS  36   3.928   4.563  -7.829
  260    HE2  HIS  36           2HE      HIS  36   3.013   2.161  -8.320
  261    HA   PRO  37           HA       PRO  37   7.826   4.830  -2.908
  262   1HB   PRO  37          1HB       PRO  37   9.753   6.133  -4.809
  263   2HB   PRO  37          2HB       PRO  37   9.818   6.058  -3.023
  264   1HG   PRO  37          1HG       PRO  37  11.457   4.533  -4.607
  265   2HG   PRO  37          2HG       PRO  37  10.785   3.924  -3.067
  266   1HD   PRO  37          1HD       PRO  37   9.851   3.339  -5.876
  267   2HD   PRO  37          2HD       PRO  37   9.998   2.251  -4.481
  268    H    PHE  38           H        PHE  38   6.969   7.199  -3.337
  269    HA   PHE  38           HA       PHE  38   6.482   7.922  -6.044
  270   1HB   PHE  38          1HB       PHE  38   4.152   7.839  -6.198
  271   2HB   PHE  38          2HB       PHE  38   4.601   6.238  -5.672
  272    HD1  PHE  38           1HD      PHE  38   4.364   5.712  -3.096
  273    HD2  PHE  38           2HD      PHE  38   2.485   9.053  -5.076
  274    HE1  PHE  38           1HE      PHE  38   2.639   5.844  -1.297
  275    HE2  PHE  38           2HE      PHE  38   0.796   9.162  -3.285
  276    HZ   PHE  38           HZ       PHE  38   0.864   7.552  -1.388
  277    H    VAL  39           H        VAL  39   5.156  10.013  -6.033
  278    HA   VAL  39           HA       VAL  39   6.170  11.700  -3.838
  279    HB   VAL  39           HB       VAL  39   5.118  12.271  -6.650
  280   1HG1  VAL  39          1HG1      VAL  39   6.012  14.179  -4.459
  281   2HG1  VAL  39          2HG1      VAL  39   5.881  14.640  -6.173
  282   3HG1  VAL  39          3HG1      VAL  39   4.445  14.130  -5.284
  283   1HG2  VAL  39          1HG2      VAL  39   7.439  13.045  -7.059
  284   2HG2  VAL  39          2HG2      VAL  39   7.895  12.565  -5.413
  285   3HG2  VAL  39          3HG2      VAL  39   7.412  11.340  -6.606
  286    H    TYR  40           H        TYR  40   4.805  12.114  -2.228
  287    HA   TYR  40           HA       TYR  40   1.897  12.320  -2.660
  288   1HB   TYR  40          1HB       TYR  40   2.149  10.346  -1.457
  289   2HB   TYR  40          2HB       TYR  40   3.581  10.874  -0.629
  290    HD1  TYR  40           1HD      TYR  40   3.527  11.766   1.469
  291    HD2  TYR  40           2HD      TYR  40  -0.171  11.351  -0.674
  292    HE1  TYR  40           1HE      TYR  40   2.280  12.098   3.586
  293    HE2  TYR  40           2HE      TYR  40  -1.428  11.783   1.408
  294    HH   TYR  40           HH       TYR  40  -1.160  12.612   3.645
  295    H    GLY  41           H        GLY  41   1.034  13.851  -0.828
  296   1HA   GLY  41          1HA       GLY  41   2.936  16.145  -0.622
  297   2HA   GLY  41          2HA       GLY  41   1.243  16.263  -1.028
  298    H    GLY  42           H        GLY  42   1.703  14.046   1.576
  299   1HA   GLY  42          1HA       GLY  42   1.839  14.278   3.869
  300   2HA   GLY  42          2HA       GLY  42   2.020  16.026   3.707
  301    H    CYS  43           H        CYS  43  -0.436  16.317   2.127
  302    HA   CYS  43           HA       CYS  43  -2.490  16.350   4.168
  303   1HB   CYS  43          1HB       CYS  43  -3.865  17.155   2.122
  304   2HB   CYS  43          2HB       CYS  43  -2.590  18.156   2.755
  305    H    GLU  44           H        GLU  44  -4.722  15.668   3.025
  306    HA   GLU  44           HA       GLU  44  -5.481  13.274   3.684
  307   1HB   GLU  44          1HB       GLU  44  -6.399  14.530   1.083
  308   2HB   GLU  44          2HB       GLU  44  -7.255  13.326   2.035
  309   1HG   GLU  44          1HG       GLU  44  -8.289  15.285   2.668
  310   2HG   GLU  44          2HG       GLU  44  -7.169  15.013   3.992
  311    H    GLY  45           H        GLY  45  -5.287  11.103   3.154
  312   1HA   GLY  45          1HA       GLY  45  -4.878  10.233   0.465
  313   2HA   GLY  45          2HA       GLY  45  -3.473   9.925   1.515
  314    H    ASN  46           H        ASN  46  -5.017   7.831   0.408
  315    HA   ASN  46           HA       ASN  46  -6.702   6.850   2.649
  316   1HB   ASN  46          1HB       ASN  46  -6.284   5.580  -0.070
  317   2HB   ASN  46          2HB       ASN  46  -7.378   5.030   1.188
  318   1HD2  ASN  46          1HD2      ASN  46  -9.047   5.069  -0.560
  319   2HD2  ASN  46          2HD2      ASN  46  -9.833   6.631  -0.762
  320    H    GLY  47           H        GLY  47  -6.332   4.225   2.508
  321   1HA   GLY  47          1HA       GLY  47  -4.119   3.850   4.241
  322   2HA   GLY  47          2HA       GLY  47  -5.151   2.576   3.598
  323    H    ASN  48           H        ASN  48  -3.986   3.659   0.736
  324    HA   ASN  48           HA       ASN  48  -1.637   1.847   0.915
  325   1HB   ASN  48          1HB       ASN  48  -3.248   1.362  -0.906
  326   2HB   ASN  48          2HB       ASN  48  -2.888   2.948  -1.608
  327   1HD2  ASN  48          1HD2      ASN  48  -2.356   1.168  -3.335
  328   2HD2  ASN  48          2HD2      ASN  48  -0.702   0.659  -3.477
  329    H    ASN  49           H        ASN  49  -0.768   3.524   2.331
  330    HA   ASN  49           HA       ASN  49   0.972   5.343   0.822
  331   1HB   ASN  49          1HB       ASN  49  -1.128   6.649   1.442
  332   2HB   ASN  49          2HB       ASN  49  -0.795   6.309   3.129
  333   1HD2  ASN  49          1HD2      ASN  49  -0.257   8.486   0.565
  334   2HD2  ASN  49          2HD2      ASN  49   0.925   9.468   1.376
  335    H    PHE  50           H        PHE  50   2.841   4.418   1.537
  336    HA   PHE  50           HA       PHE  50   3.076   3.619   4.391
  337   1HB   PHE  50          1HB       PHE  50   4.185   2.353   1.861
  338   2HB   PHE  50          2HB       PHE  50   4.688   1.856   3.415
  339    HD1  PHE  50           1HD      PHE  50   2.081   1.565   0.909
  340    HD2  PHE  50           2HD      PHE  50   2.821   1.171   5.144
  341    HE1  PHE  50           1HE      PHE  50  -0.078   0.396   1.195
  342    HE2  PHE  50           2HE      PHE  50   0.636   0.041   5.417
  343    HZ   PHE  50           HZ       PHE  50  -0.849  -0.283   3.456
  344    H    HIS  51           H        HIS  51   5.116   3.716   5.334
  345    HA   HIS  51           HA       HIS  51   6.620   6.146   4.447
  346   1HB   HIS  51          1HB       HIS  51   6.428   4.636   7.092
  347   2HB   HIS  51          2HB       HIS  51   7.622   5.873   6.775
  348    HD1  HIS  51           1HD      HIS  51   6.831   8.392   7.004
  349    HD2  HIS  51           2HD      HIS  51   3.729   5.506   7.029
  350    HE1  HIS  51           1HE      HIS  51   4.679   9.629   7.677
  351    HE2  HIS  51           2HE      HIS  51   2.784   7.851   7.662
  352    H    SER  52           H        SER  52   6.838   2.710   4.216
  353    HA   SER  52           HA       SER  52   9.723   2.910   3.668
  354   1HB   SER  52          1HB       SER  52   9.917   0.824   5.252
  355   2HB   SER  52          2HB       SER  52   9.904   2.444   5.959
  356    HG   SER  52           HG       SER  52   8.348   0.612   6.784
  357    H    ARG  53           H        ARG  53  10.551   0.898   2.841
  358    HA   ARG  53           HA       ARG  53   8.957  -0.286   0.750
  359   1HB   ARG  53          1HB       ARG  53  11.329  -0.031   0.512
  360   2HB   ARG  53          2HB       ARG  53  11.629  -0.994   1.958
  361   1HG   ARG  53          1HG       ARG  53  12.028  -2.221  -0.087
  362   2HG   ARG  53          2HG       ARG  53  10.806  -2.983   0.915
  363   1HD   ARG  53          1HD       ARG  53   9.060  -2.032  -0.660
  364   2HD   ARG  53          2HD       ARG  53  10.349  -1.409  -1.662
  365    HE   ARG  53           HE       ARG  53  10.317  -4.258  -0.870
  366   1HH1  ARG  53          2HH2      ARG  53   9.820  -2.095  -3.715
  367   2HH1  ARG  53          1HH2      ARG  53  10.060  -3.427  -4.809
  368   1HH2  ARG  53          2HH1      ARG  53  10.257  -5.880  -2.372
  369   2HH2  ARG  53          1HH1      ARG  53  10.426  -5.539  -4.086
  370    H    GLU  54           H        GLU  54  10.197  -1.492   3.851
  371    HA   GLU  54           HA       GLU  54   9.133  -3.952   4.228
  372   1HB   GLU  54          1HB       GLU  54  10.628  -3.054   5.708
  373   2HB   GLU  54          2HB       GLU  54   9.892  -1.521   5.822
  374   1HG   GLU  54          1HG       GLU  54   8.213  -3.596   7.102
  375   2HG   GLU  54          2HG       GLU  54   9.869  -3.599   7.711
  376    H    SER  55           H        SER  55   7.519  -1.219   5.748
  377    HA   SER  55           HA       SER  55   5.139  -2.479   6.206
  378   1HB   SER  55          1HB       SER  55   4.034  -0.251   6.391
  379   2HB   SER  55          2HB       SER  55   5.566  -0.387   7.255
  380    HG   SER  55           HG       SER  55   6.548   0.894   5.853
  381    H    CYS  56           H        CYS  56   5.993  -0.969   3.177
  382    HA   CYS  56           HA       CYS  56   3.389  -1.153   1.943
  383   1HB   CYS  56          1HB       CYS  56   5.500   0.238   1.374
  384   2HB   CYS  56          2HB       CYS  56   6.075  -1.186   0.538
  385    H    GLU  57           H        GLU  57   6.307  -3.183   1.984
  386    HA   GLU  57           HA       GLU  57   5.233  -5.220   0.263
  387   1HB   GLU  57          1HB       GLU  57   7.555  -5.240   2.183
  388   2HB   GLU  57          2HB       GLU  57   6.958  -6.751   1.455
  389   1HG   GLU  57          1HG       GLU  57   7.083  -5.737  -0.807
  390   2HG   GLU  57          2HG       GLU  57   7.719  -4.251  -0.116
  391    H    ASP  58           H        ASP  58   4.888  -4.749   3.803
  392    HA   ASP  58           HA       ASP  58   3.336  -7.174   4.135
  393   1HB   ASP  58          1HB       ASP  58   4.042  -6.031   6.143
  394   2HB   ASP  58          2HB       ASP  58   3.171  -4.563   5.686
  395    H    ALA  59           H        ALA  59   2.472  -3.845   3.157
  396    HA   ALA  59           HA       ALA  59  -0.301  -4.156   2.913
  397   1HB   ALA  59          1HB       ALA  59  -0.364  -2.227   1.673
  398   2HB   ALA  59          2HB       ALA  59   1.179  -2.060   2.553
  399   3HB   ALA  59          3HB       ALA  59   1.155  -2.537   0.840
  400    H    CYS  60           H        CYS  60   2.221  -5.121   0.562
  401    HA   CYS  60           HA       CYS  60   1.411  -7.470  -0.110
  402   1HB   CYS  60          1HB       CYS  60   0.118  -5.455  -1.775
  403   2HB   CYS  60          2HB       CYS  60   0.751  -6.789  -2.591
  404    HA   PRO  61           HA       PRO  61   1.478  -8.566  -2.640
  405   1HB   PRO  61          1HB       PRO  61   3.076 -10.493  -3.645
  406   2HB   PRO  61          2HB       PRO  61   2.825  -8.925  -4.469
  407   1HG   PRO  61          1HG       PRO  61   5.149  -9.735  -2.688
  408   2HG   PRO  61          2HG       PRO  61   5.206  -8.950  -4.297
  409   1HD   PRO  61          1HD       PRO  61   5.355  -7.551  -1.923
  410   2HD   PRO  61          2HD       PRO  61   4.630  -6.866  -3.401
  411    H    VAL  62           H        VAL  62   0.475  -9.302  -0.805
  412    HA   VAL  62           HA       VAL  62   1.550 -11.625   0.569
  413    HB   VAL  62           HB       VAL  62   0.648  -9.080   1.993
  414   1HG1  VAL  62          1HG1      VAL  62   1.333 -10.269   4.120
  415   2HG1  VAL  62          2HG1      VAL  62  -0.166 -10.806   3.426
  416   3HG1  VAL  62          3HG1      VAL  62   1.322 -11.790   3.204
  417   1HG2  VAL  62          1HG2      VAL  62   3.033  -9.013   1.258
  418   2HG2  VAL  62          2HG2      VAL  62   2.926  -9.108   3.000
  419   3HG2  VAL  62          3HG2      VAL  62   3.333 -10.560   2.055
  420    H    VAL  63           H        VAL  63  -0.514 -12.081   2.166
  421    HA   VAL  63           HA       VAL  63  -2.784 -12.579   0.359
  422    HB   VAL  63           HB       VAL  63  -2.438 -13.350   3.273
  423   1HG1  VAL  63          1HG1      VAL  63  -4.212 -14.506   1.077
  424   2HG1  VAL  63          2HG1      VAL  63  -4.011 -15.212   2.695
  425   3HG1  VAL  63          3HG1      VAL  63  -4.751 -13.623   2.529
  426   1HG2  VAL  63          1HG2      VAL  63  -1.622 -14.938   0.801
  427   2HG2  VAL  63          2HG2      VAL  63  -0.551 -14.365   2.098
  428   3HG2  VAL  63          3HG2      VAL  63  -1.736 -15.617   2.442
  429    H    ASP  64           H        ASP  64  -4.950 -11.910   1.086
  430    HA   ASP  64           HA       ASP  64  -5.484  -9.285   1.660
  431   1HB   ASP  64          1HB       ASP  64  -7.190 -10.887   0.958
  432   2HB   ASP  64          2HB       ASP  64  -7.014 -11.812   2.450
  433    H    HIS  65           H        HIS  65  -5.428  -7.946   3.434
  434    HA   HIS  65           HA       HIS  65  -4.440  -8.797   5.972
  435   1HB   HIS  65          1HB       HIS  65  -5.728  -6.201   5.002
  436   2HB   HIS  65          2HB       HIS  65  -5.048  -6.429   6.612
  437    HD1  HIS  65           1HD      HIS  65  -3.898  -6.209   2.907
  438    HD2  HIS  65           2HD      HIS  65  -2.324  -6.495   6.860
  439    HE1  HIS  65           1HE      HIS  65  -1.327  -6.233   2.751
  440    HE2  HIS  65           2HE      HIS  65  -0.411  -6.169   5.165
  441    H    HIS  66           H        HIS  66  -5.826 -10.434   6.313
  442    HA   HIS  66           HA       HIS  66  -8.270 -11.087   6.087
  443   1HB   HIS  66          1HB       HIS  66  -6.419 -11.650   8.344
  444   2HB   HIS  66          2HB       HIS  66  -8.103 -12.138   8.536
  445    HD1  HIS  66           1HD      HIS  66  -5.811 -12.337   5.337
  446    HD2  HIS  66           2HD      HIS  66  -8.937 -14.175   7.448
  447    HE1  HIS  66           1HE      HIS  66  -6.766 -14.129   3.854
  448    HE2  HIS  66           2HE      HIS  66  -8.787 -15.051   5.166
  449    H    HIS  67           H        HIS  67  -9.542  -9.525   5.753
  450    HA   HIS  67           HA       HIS  67 -10.880  -7.958   7.827
  451   1HB   HIS  67          1HB       HIS  67 -11.907  -8.504   5.026
  452   2HB   HIS  67          2HB       HIS  67 -12.280  -7.148   6.049
  453    HD1  HIS  67           1HD      HIS  67  -9.285  -8.515   3.836
  454    HD2  HIS  67           2HD      HIS  67 -11.045  -4.957   5.374
  455    HE1  HIS  67           1HE      HIS  67  -8.220  -6.664   2.654
  456    HE2  HIS  67           2HE      HIS  67  -9.402  -4.472   3.426
  457    H    HIS  68           H        HIS  68 -10.907 -10.504   8.710
  458    HA   HIS  68           HA       HIS  68 -12.645 -12.380   7.882
  459   1HB   HIS  68          1HB       HIS  68 -12.715 -13.271  10.134
  460   2HB   HIS  68          2HB       HIS  68 -11.105 -12.732   9.698
  461    HD1  HIS  68           1HD      HIS  68 -13.755 -12.299  12.274
  462    HD2  HIS  68           2HD      HIS  68 -10.273 -10.291  10.941
  463    HE1  HIS  68           1HE      HIS  68 -13.138 -10.617  14.118
  464    HE2  HIS  68           2HE      HIS  68 -10.991  -9.391  13.293
  465    H    HIS  69           H        HIS  69 -14.681 -12.278   7.225
  466    HA   HIS  69           HA       HIS  69 -16.445 -10.165   7.817
  467   1HB   HIS  69          1HB       HIS  69 -17.070 -12.917   6.664
  468   2HB   HIS  69          2HB       HIS  69 -18.215 -11.584   6.727
  469    HD1  HIS  69           1HD      HIS  69 -17.732 -12.513   3.854
  470    HD2  HIS  69           2HD      HIS  69 -15.355  -9.617   5.847
  471    HE1  HIS  69           1HE      HIS  69 -16.595 -11.102   2.048
  472    HE2  HIS  69           2HE      HIS  69 -15.103  -9.417   3.258
  473    H    HIS  70           H        HIS  70 -15.742 -12.677  10.018
  474    HA   HIS  70           HA       HIS  70 -17.778 -11.817  11.783
  475   1HB   HIS  70          1HB       HIS  70 -18.893 -13.798  10.651
  476   2HB   HIS  70          2HB       HIS  70 -17.503 -14.792  11.118
  477    HD1  HIS  70           1HD      HIS  70 -17.362 -13.356  14.097
  478    HD2  HIS  70           2HD      HIS  70 -20.627 -15.215  12.166
  479    HE1  HIS  70           1HE      HIS  70 -19.008 -14.111  15.979
  480    HE2  HIS  70           2HE      HIS  70 -21.000 -15.243  14.767
  Start of MODEL    9
    1   1H    GLU   1          1H        GLU   1  -9.148  -0.103  -1.407
    2   2H    GLU   1          2H        GLU   1 -10.317  -1.300  -1.584
    3   3H    GLU   1          H         GLU   1  -9.337  -1.300  -0.293
    4    HA   GLU   1           HA       GLU   1 -10.219   0.813   0.440
    5   1HB   GLU   1          1HB       GLU   1 -12.281   0.510  -1.738
    6   2HB   GLU   1          2HB       GLU   1 -12.202   1.739  -0.478
    7   1HG   GLU   1          1HG       GLU   1 -10.326   1.372  -2.828
    8   2HG   GLU   1          2HG       GLU   1 -11.378   2.745  -2.478
    9    H    ALA   2           H        ALA   2 -13.188   0.280   0.396
   10    HA   ALA   2           HA       ALA   2 -13.316  -0.873   2.984
   11   1HB   ALA   2          1HB       ALA   2 -15.746  -0.722   2.703
   12   2HB   ALA   2          2HB       ALA   2 -14.960   0.739   2.076
   13   3HB   ALA   2          3HB       ALA   2 -15.555  -0.512   0.950
   14    H    GLU   3           H        GLU   3 -12.716  -2.669   0.238
   15    HA   GLU   3           HA       GLU   3 -14.216  -5.024   0.548
   16   1HB   GLU   3          1HB       GLU   3 -11.237  -4.935  -0.113
   17   2HB   GLU   3          2HB       GLU   3 -12.404  -6.177  -0.546
   18   1HG   GLU   3          1HG       GLU   3 -12.133  -5.054  -2.547
   19   2HG   GLU   3          2HG       GLU   3 -13.604  -4.310  -1.919
   20    H    ALA   4           H        ALA   4 -11.667  -3.710   2.550
   21    HA   ALA   4           HA       ALA   4 -11.850  -6.037   4.384
   22   1HB   ALA   4          1HB       ALA   4  -9.594  -5.971   3.360
   23   2HB   ALA   4          2HB       ALA   4  -9.402  -4.291   3.894
   24   3HB   ALA   4          3HB       ALA   4  -9.531  -5.592   5.098
   25    H    GLU   5           H        GLU   5 -11.309  -5.308   6.638
   26    HA   GLU   5           HA       GLU   5 -13.191  -3.403   7.499
   27   1HB   GLU   5          1HB       GLU   5 -10.788  -4.134   9.206
   28   2HB   GLU   5          2HB       GLU   5 -12.422  -3.713   9.706
   29   1HG   GLU   5          1HG       GLU   5 -12.470  -5.979  10.046
   30   2HG   GLU   5          2HG       GLU   5 -13.102  -5.928   8.399
   31    H    PHE   6           H        PHE   6 -10.044  -2.787   6.289
   32    HA   PHE   6           HA       PHE   6 -10.294   0.036   6.904
   33   1HB   PHE   6          1HB       PHE   6  -8.684  -0.694   8.618
   34   2HB   PHE   6          2HB       PHE   6  -7.742  -1.561   7.405
   35    HD1  PHE   6           1HD      PHE   6  -8.756   1.825   8.598
   36    HD2  PHE   6           2HD      PHE   6  -6.223  -0.386   5.891
   37    HE1  PHE   6           1HE      PHE   6  -7.487   3.893   8.082
   38    HE2  PHE   6           2HE      PHE   6  -4.965   1.676   5.379
   39    HZ   PHE   6           HZ       PHE   6  -5.588   3.827   6.476
   40    H    THR   7           H        THR   7  -9.436   1.226   5.226
   41    HA   THR   7           HA       THR   7  -9.854   0.701   2.709
   42    HB   THR   7           HB       THR   7  -7.639   2.468   3.833
   43    HG1  THR   7           1HG      THR   7  -9.329   3.907   4.305
   44   1HG2  THR   7          1HG2      THR   7  -9.606   2.898   1.549
   45   2HG2  THR   7          2HG2      THR   7  -8.491   4.122   2.176
   46   3HG2  THR   7          3HG2      THR   7  -7.850   2.656   1.405
   47    H    ASP   8           H        ASP   8  -9.170  -1.365   1.958
   48    HA   ASP   8           HA       ASP   8  -6.582  -2.326   2.150
   49   1HB   ASP   8          1HB       ASP   8  -8.552  -3.724   1.676
   50   2HB   ASP   8          2HB       ASP   8  -8.533  -3.170  -0.003
   51    H    ALA   9           H        ALA   9  -5.145  -0.905   1.646
   52    HA   ALA   9           HA       ALA   9  -4.455   0.586  -0.476
   53   1HB   ALA   9          1HB       ALA   9  -3.078   0.313   1.551
   54   2HB   ALA   9          2HB       ALA   9  -2.697  -1.360   1.089
   55   3HB   ALA   9          3HB       ALA   9  -2.090  -0.028   0.104
   56    H    CYS  10           H        CYS  10  -4.403  -2.963  -0.472
   57    HA   CYS  10           HA       CYS  10  -2.500  -3.331  -2.567
   58   1HB   CYS  10          1HB       CYS  10  -3.282  -4.916  -0.762
   59   2HB   CYS  10          2HB       CYS  10  -4.744  -5.178  -1.711
   60    H    VAL  11           H        VAL  11  -5.996  -2.626  -2.494
   61    HA   VAL  11           HA       VAL  11  -6.273  -3.248  -5.387
   62    HB   VAL  11           HB       VAL  11  -8.391  -2.465  -3.353
   63   1HG1  VAL  11          1HG1      VAL  11  -9.182  -2.375  -5.689
   64   2HG1  VAL  11          2HG1      VAL  11  -8.583  -4.024  -5.978
   65   3HG1  VAL  11          3HG1      VAL  11  -9.926  -3.724  -4.848
   66   1HG2  VAL  11          1HG2      VAL  11  -7.395  -5.280  -4.012
   67   2HG2  VAL  11          2HG2      VAL  11  -7.366  -4.478  -2.420
   68   3HG2  VAL  11          3HG2      VAL  11  -8.900  -4.915  -3.135
   69    H    LEU  12           H        LEU  12  -5.216  -0.596  -3.576
   70    HA   LEU  12           HA       LEU  12  -6.880   1.349  -5.012
   71   1HB   LEU  12          1HB       LEU  12  -7.374   1.651  -2.989
   72   2HB   LEU  12          2HB       LEU  12  -5.838   1.099  -2.292
   73    HG   LEU  12           HG       LEU  12  -4.915   3.362  -3.044
   74   1HD1  LEU  12          1HD1      LEU  12  -6.902   5.145  -2.839
   75   2HD1  LEU  12          2HD1      LEU  12  -6.428   4.509  -4.399
   76   3HD1  LEU  12          3HD1      LEU  12  -7.859   3.850  -3.549
   77   1HD2  LEU  12          1HD2      LEU  12  -5.602   2.552  -0.708
   78   2HD2  LEU  12          2HD2      LEU  12  -5.304   4.274  -1.032
   79   3HD2  LEU  12          3HD2      LEU  12  -6.968   3.635  -0.911
   80    HA   PRO  13           HA       PRO  13  -3.239   2.752  -7.232
   81   1HB   PRO  13          1HB       PRO  13  -4.823   5.310  -7.337
   82   2HB   PRO  13          2HB       PRO  13  -4.021   4.440  -8.674
   83   1HG   PRO  13          1HG       PRO  13  -6.735   4.324  -8.336
   84   2HG   PRO  13          2HG       PRO  13  -5.798   2.891  -8.862
   85   1HD   PRO  13          1HD       PRO  13  -6.922   3.473  -6.120
   86   2HD   PRO  13          2HD       PRO  13  -6.765   1.936  -6.964
   87    H    ALA  14           H        ALA  14  -1.563   4.471  -6.895
   88    HA   ALA  14           HA       ALA  14  -1.172   5.016  -4.074
   89   1HB   ALA  14          1HB       ALA  14   0.679   4.545  -5.697
   90   2HB   ALA  14          2HB       ALA  14   0.354   6.105  -6.488
   91   3HB   ALA  14          3HB       ALA  14   0.905   6.059  -4.800
   92    H    VAL  15           H        VAL  15  -2.319   6.624  -3.021
   93    HA   VAL  15           HA       VAL  15  -3.348   8.884  -4.602
   94    HB   VAL  15           HB       VAL  15  -3.825   8.286  -1.690
   95   1HG1  VAL  15          1HG1      VAL  15  -5.298  10.083  -3.648
   96   2HG1  VAL  15          2HG1      VAL  15  -5.885   9.663  -2.029
   97   3HG1  VAL  15          3HG1      VAL  15  -4.392  10.567  -2.185
   98   1HG2  VAL  15          1HG2      VAL  15  -6.093   7.424  -2.549
   99   2HG2  VAL  15          2HG2      VAL  15  -5.385   7.409  -4.165
  100   3HG2  VAL  15          3HG2      VAL  15  -4.713   6.373  -2.888
  101    H    GLN  16           H        GLN  16  -2.584  10.797  -4.515
  102    HA   GLN  16           HA       GLN  16  -0.087  11.395  -3.027
  103   1HB   GLN  16          1HB       GLN  16  -1.588  13.226  -4.948
  104   2HB   GLN  16          2HB       GLN  16   0.033  13.439  -4.305
  105   1HG   GLN  16          1HG       GLN  16   0.652  11.285  -5.570
  106   2HG   GLN  16          2HG       GLN  16  -0.907  11.459  -6.397
  107   1HE2  GLN  16          1HE2      GLN  16   2.344  12.577  -6.218
  108   2HE2  GLN  16          2HE2      GLN  16   2.201  13.971  -7.289
  109    H    GLY  17           H        GLY  17  -3.507  12.262  -2.964
  110   1HA   GLY  17          1HA       GLY  17  -4.652  13.317  -1.250
  111   2HA   GLY  17          2HA       GLY  17  -3.128  13.963  -0.599
  112    HA   PRO  18           HA       PRO  18  -5.417  16.924  -3.516
  113   1HB   PRO  18          1HB       PRO  18  -6.148  18.928  -1.747
  114   2HB   PRO  18          2HB       PRO  18  -7.145  17.499  -2.144
  115   1HG   PRO  18          1HG       PRO  18  -5.365  17.926   0.256
  116   2HG   PRO  18          2HG       PRO  18  -7.001  17.213   0.203
  117   1HD   PRO  18          1HD       PRO  18  -4.735  15.674   0.303
  118   2HD   PRO  18          2HD       PRO  18  -6.180  15.146  -0.586
  119    H    CYS  19           H        CYS  19  -3.211  17.781  -0.824
  120    HA   CYS  19           HA       CYS  19  -2.327  20.227  -1.858
  121   1HB   CYS  19          1HB       CYS  19  -0.621  18.379  -0.174
  122   2HB   CYS  19          2HB       CYS  19  -0.585  20.121  -0.196
  123    H    ARG  20           H        ARG  20  -0.076  20.714  -2.466
  124    HA   ARG  20           HA       ARG  20   0.909  18.840  -4.589
  125   1HB   ARG  20          1HB       ARG  20   0.667  21.851  -4.761
  126   2HB   ARG  20          2HB       ARG  20   1.491  20.797  -5.888
  127   1HG   ARG  20          1HG       ARG  20  -1.503  20.812  -5.341
  128   2HG   ARG  20          2HG       ARG  20  -0.671  21.526  -6.721
  129   1HD   ARG  20          1HD       ARG  20  -1.619  19.615  -7.593
  130   2HD   ARG  20          2HD       ARG  20   0.083  19.193  -7.366
  131    HE   ARG  20           HE       ARG  20  -1.548  18.457  -5.080
  132   1HH1  ARG  20          2HH2      ARG  20  -0.898  17.250  -8.384
  133   2HH1  ARG  20          1HH2      ARG  20  -0.931  15.586  -7.842
  134   1HH2  ARG  20          2HH1      ARG  20  -1.838  16.305  -4.536
  135   2HH2  ARG  20          1HH1      ARG  20  -1.685  15.071  -5.736
  136    H    GLY  21           H        GLY  21   1.760  19.459  -1.878
  137   1HA   GLY  21          1HA       GLY  21   4.569  20.491  -2.143
  138   2HA   GLY  21          2HA       GLY  21   3.819  19.887  -0.625
  139    H    TRP  22           H        TRP  22   6.333  18.560  -1.509
  140    HA   TRP  22           HA       TRP  22   5.242  16.037  -2.579
  141   1HB   TRP  22          1HB       TRP  22   7.785  17.389  -3.492
  142   2HB   TRP  22          2HB       TRP  22   7.206  15.823  -4.017
  143    HD1  TRP  22           HD       TRP  22   7.617  18.884  -5.476
  144    HE1  TRP  22           1HE      TRP  22   5.788  19.714  -7.066
  145    HE3  TRP  22           3HE      TRP  22   3.847  15.663  -4.170
  146    HZ2  TRP  22           2HZ      TRP  22   3.007  19.076  -7.671
  147    HZ3  TRP  22           3HZ      TRP  22   1.680  15.742  -5.299
  148    HH2  TRP  22           HH       TRP  22   1.283  17.410  -7.111
  149    H    GLU  23           H        GLU  23   5.427  14.681  -1.161
  150    HA   GLU  23           HA       GLU  23   7.689  14.433   0.757
  151   1HB   GLU  23          1HB       GLU  23   5.714  15.303   1.843
  152   2HB   GLU  23          2HB       GLU  23   4.666  14.173   0.995
  153   1HG   GLU  23          1HG       GLU  23   4.744  13.452   3.202
  154   2HG   GLU  23          2HG       GLU  23   5.643  12.286   2.247
  155    HA   PRO  24           HA       PRO  24   7.708  10.450  -1.609
  156   1HB   PRO  24          1HB       PRO  24   9.876   9.274  -0.455
  157   2HB   PRO  24          2HB       PRO  24   9.998  10.588  -1.666
  158   1HG   PRO  24          1HG       PRO  24  10.146  10.820   1.354
  159   2HG   PRO  24          2HG       PRO  24  11.247  11.537   0.133
  160   1HD   PRO  24          1HD       PRO  24   9.220  12.937   1.261
  161   2HD   PRO  24          2HD       PRO  24   9.656  13.191  -0.452
  162    H    ARG  25           H        ARG  25   6.725   8.662  -1.290
  163    HA   ARG  25           HA       ARG  25   6.532   7.334   1.345
  164   1HB   ARG  25          1HB       ARG  25   4.183   8.185  -0.413
  165   2HB   ARG  25          2HB       ARG  25   4.020   6.916   0.800
  166   1HG   ARG  25          1HG       ARG  25   4.849   9.780   1.393
  167   2HG   ARG  25          2HG       ARG  25   3.233   9.102   1.571
  168   1HD   ARG  25          1HD       ARG  25   4.033   7.491   3.225
  169   2HD   ARG  25          2HD       ARG  25   5.674   8.129   3.089
  170    HE   ARG  25           HE       ARG  25   3.291   9.482   4.227
  171   1HH1  ARG  25          2HH2      ARG  25   6.765   9.918   3.279
  172   2HH1  ARG  25          1HH2      ARG  25   6.934  11.228   4.394
  173   1HH2  ARG  25          2HH1      ARG  25   3.736  11.372   5.669
  174   2HH2  ARG  25          1HH1      ARG  25   5.323  12.074   5.480
  175    H    TRP  26           H        TRP  26   5.214   5.159   0.820
  176    HA   TRP  26           HA       TRP  26   6.314   3.953  -1.678
  177   1HB   TRP  26          1HB       TRP  26   6.086   2.912   1.171
  178   2HB   TRP  26          2HB       TRP  26   6.142   1.818  -0.203
  179    HD1  TRP  26           HD       TRP  26   8.315   4.386   1.666
  180    HE1  TRP  26           1HE      TRP  26  10.777   3.902   1.190
  181    HE3  TRP  26           3HE      TRP  26   7.741   0.577  -1.680
  182    HZ2  TRP  26           2HZ      TRP  26  12.317   2.171  -0.600
  183    HZ3  TRP  26           3HZ      TRP  26   9.671  -0.207  -3.028
  184    HH2  TRP  26           HH       TRP  26  11.954   0.446  -2.388
  185    H    ALA  27           H        ALA  27   4.736   2.708  -2.858
  186    HA   ALA  27           HA       ALA  27   2.143   2.227  -1.565
  187   1HB   ALA  27          1HB       ALA  27   0.952   2.914  -3.702
  188   2HB   ALA  27          2HB       ALA  27   1.502   4.230  -2.683
  189   3HB   ALA  27          3HB       ALA  27   2.418   3.787  -4.163
  190    H    TYR  28           H        TYR  28   1.087   0.467  -2.403
  191    HA   TYR  28           HA       TYR  28   2.758  -1.434  -3.866
  192   1HB   TYR  28          1HB       TYR  28   1.337  -2.266  -2.034
  193   2HB   TYR  28          2HB       TYR  28  -0.093  -1.584  -2.788
  194    HD1  TYR  28           1HD      TYR  28  -1.372  -2.828  -4.333
  195    HD2  TYR  28           2HD      TYR  28   2.652  -4.104  -3.439
  196    HE1  TYR  28           1HE      TYR  28  -1.754  -4.896  -5.597
  197    HE2  TYR  28           2HE      TYR  28   2.324  -6.105  -4.870
  198    HH   TYR  28           HH       TYR  28   0.760  -7.410  -6.142
  199    H    SER  29           H        SER  29   2.515  -2.040  -6.001
  200    HA   SER  29           HA       SER  29   0.313  -0.819  -7.563
  201   1HB   SER  29          1HB       SER  29   3.263  -1.006  -8.086
  202   2HB   SER  29          2HB       SER  29   2.178  -0.805  -9.425
  203    HG   SER  29           HG       SER  29   1.615   0.719  -7.181
  204    HA   PRO  30           HA       PRO  30  -0.140  -5.300  -8.177
  205   1HB   PRO  30          1HB       PRO  30  -2.566  -5.220  -9.512
  206   2HB   PRO  30          2HB       PRO  30  -2.392  -5.242  -7.737
  207   1HG   PRO  30          1HG       PRO  30  -2.864  -2.877  -9.553
  208   2HG   PRO  30          2HG       PRO  30  -3.608  -3.226  -7.962
  209   1HD   PRO  30          1HD       PRO  30  -1.546  -1.470  -8.274
  210   2HD   PRO  30          2HD       PRO  30  -1.704  -2.477  -6.806
  211    H    LEU  31           H        LEU  31  -0.570  -2.682 -10.519
  212    HA   LEU  31           HA       LEU  31  -0.108  -4.151 -12.914
  213   1HB   LEU  31          1HB       LEU  31   0.094  -1.252 -12.146
  214   2HB   LEU  31          2HB       LEU  31   0.594  -1.795 -13.744
  215    HG   LEU  31           HG       LEU  31  -2.143  -2.502 -12.617
  216   1HD1  LEU  31          1HD1      LEU  31  -1.903  -0.073 -12.645
  217   2HD1  LEU  31          2HD1      LEU  31  -1.354  -0.134 -14.342
  218   3HD1  LEU  31          3HD1      LEU  31  -3.016  -0.618 -13.914
  219   1HD2  LEU  31          1HD2      LEU  31  -2.735  -2.767 -15.020
  220   2HD2  LEU  31          2HD2      LEU  31  -1.058  -2.402 -15.477
  221   3HD2  LEU  31          3HD2      LEU  31  -1.441  -3.875 -14.567
  222    H    LEU  32           H        LEU  32   2.094  -3.387 -10.367
  223    HA   LEU  32           HA       LEU  32   4.438  -4.039 -12.090
  224   1HB   LEU  32          1HB       LEU  32   4.010  -2.284  -9.678
  225   2HB   LEU  32          2HB       LEU  32   5.597  -2.915  -9.976
  226    HG   LEU  32           HG       LEU  32   4.070  -1.313 -12.081
  227   1HD1  LEU  32          1HD1      LEU  32   6.136  -0.345 -10.068
  228   2HD1  LEU  32          2HD1      LEU  32   5.519   0.593 -11.448
  229   3HD1  LEU  32          3HD1      LEU  32   4.411   0.117 -10.157
  230   1HD2  LEU  32          1HD2      LEU  32   6.330  -0.998 -13.079
  231   2HD2  LEU  32          2HD2      LEU  32   7.029  -2.050 -11.824
  232   3HD2  LEU  32          3HD2      LEU  32   5.887  -2.701 -13.016
  233    H    GLN  33           H        GLN  33   2.247  -5.216  -9.979
  234    HA   GLN  33           HA       GLN  33   1.992  -6.648  -8.328
  235   1HB   GLN  33          1HB       GLN  33   2.587  -7.955 -10.496
  236   2HB   GLN  33          2HB       GLN  33   4.130  -8.275  -9.721
  237   1HG   GLN  33          1HG       GLN  33   1.386  -9.261  -9.070
  238   2HG   GLN  33          2HG       GLN  33   2.858 -10.196  -9.288
  239   1HE2  GLN  33          1HE2      GLN  33   3.957 -10.836  -7.363
  240   2HE2  GLN  33          2HE2      GLN  33   3.461 -10.275  -5.778
  241    H    GLN  34           H        GLN  34   3.626  -4.529  -7.556
  242    HA   GLN  34           HA       GLN  34   5.082  -5.605  -5.325
  243   1HB   GLN  34          1HB       GLN  34   6.704  -5.984  -7.324
  244   2HB   GLN  34          2HB       GLN  34   6.758  -4.230  -7.441
  245   1HG   GLN  34          1HG       GLN  34   8.656  -5.594  -6.264
  246   2HG   GLN  34          2HG       GLN  34   8.192  -3.991  -5.747
  247   1HE2  GLN  34          1HE2      GLN  34   7.454  -7.514  -4.880
  248   2HE2  GLN  34          2HE2      GLN  34   7.524  -7.084  -3.163
  249    H    CYS  35           H        CYS  35   6.271  -3.763  -4.256
  250    HA   CYS  35           HA       CYS  35   4.654  -1.288  -4.331
  251   1HB   CYS  35          1HB       CYS  35   6.623  -2.430  -2.322
  252   2HB   CYS  35          2HB       CYS  35   5.944  -0.813  -2.205
  253    H    HIS  36           H        HIS  36   5.597   0.654  -4.408
  254    HA   HIS  36           HA       HIS  36   8.513   0.836  -4.887
  255   1HB   HIS  36          1HB       HIS  36   8.375   2.010  -7.015
  256   2HB   HIS  36          2HB       HIS  36   7.647   0.422  -7.151
  257    HD1  HIS  36           1HD      HIS  36   6.619   4.151  -6.960
  258    HD2  HIS  36           2HD      HIS  36   4.965   0.320  -7.799
  259    HE1  HIS  36           1HE      HIS  36   4.271   4.527  -7.918
  260    HE2  HIS  36           2HE      HIS  36   3.298   2.139  -8.364
  261    HA   PRO  37           HA       PRO  37   8.003   4.733  -2.821
  262   1HB   PRO  37          1HB       PRO  37  10.004   5.910  -4.741
  263   2HB   PRO  37          2HB       PRO  37  10.005   5.954  -2.952
  264   1HG   PRO  37          1HG       PRO  37  11.662   4.271  -4.307
  265   2HG   PRO  37          2HG       PRO  37  10.819   3.724  -2.823
  266   1HD   PRO  37          1HD       PRO  37  10.063   3.177  -5.697
  267   2HD   PRO  37          2HD       PRO  37  10.108   2.072  -4.306
  268    H    PHE  38           H        PHE  38   7.052   7.045  -3.274
  269    HA   PHE  38           HA       PHE  38   6.618   7.758  -6.009
  270   1HB   PHE  38          1HB       PHE  38   4.306   7.620  -6.191
  271   2HB   PHE  38          2HB       PHE  38   4.743   6.054  -5.557
  272    HD1  PHE  38           1HD      PHE  38   2.609   8.904  -5.174
  273    HD2  PHE  38           2HD      PHE  38   4.483   5.723  -2.935
  274    HE1  PHE  38           1HE      PHE  38   0.877   9.100  -3.448
  275    HE2  PHE  38           2HE      PHE  38   2.703   5.939  -1.200
  276    HZ   PHE  38           HZ       PHE  38   0.897   7.591  -1.451
  277    H    VAL  39           H        VAL  39   5.319   9.855  -6.045
  278    HA   VAL  39           HA       VAL  39   6.204  11.554  -3.799
  279    HB   VAL  39           HB       VAL  39   5.403  12.055  -6.695
  280   1HG1  VAL  39          1HG1      VAL  39   5.844  14.070  -4.468
  281   2HG1  VAL  39          2HG1      VAL  39   5.925  14.481  -6.201
  282   3HG1  VAL  39          3HG1      VAL  39   4.421  13.870  -5.509
  283   1HG2  VAL  39          1HG2      VAL  39   7.961  12.649  -5.129
  284   2HG2  VAL  39          2HG2      VAL  39   7.753  11.317  -6.290
  285   3HG2  VAL  39          3HG2      VAL  39   7.683  12.995  -6.845
  286    H    TYR  40           H        TYR  40   4.793  11.860  -2.272
  287    HA   TYR  40           HA       TYR  40   1.883  11.956  -2.707
  288   1HB   TYR  40          1HB       TYR  40   2.291  10.119  -1.349
  289   2HB   TYR  40          2HB       TYR  40   3.707  10.795  -0.614
  290    HD1  TYR  40           1HD      TYR  40   3.663  11.697   1.470
  291    HD2  TYR  40           2HD      TYR  40  -0.073  11.192  -0.618
  292    HE1  TYR  40           1HE      TYR  40   2.445  12.007   3.595
  293    HE2  TYR  40           2HE      TYR  40  -1.293  11.725   1.487
  294    HH   TYR  40           HH       TYR  40  -0.958  12.557   3.725
  295    H    GLY  41           H        GLY  41   0.924  13.569  -0.903
  296   1HA   GLY  41          1HA       GLY  41   2.627  15.979  -0.998
  297   2HA   GLY  41          2HA       GLY  41   0.910  15.986  -1.265
  298    H    GLY  42           H        GLY  42   1.881  13.952   1.340
  299   1HA   GLY  42          1HA       GLY  42   2.270  14.187   3.557
  300   2HA   GLY  42          2HA       GLY  42   2.419  15.934   3.372
  301    H    CYS  43           H        CYS  43  -0.305  16.283   2.295
  302    HA   CYS  43           HA       CYS  43  -1.831  16.061   4.793
  303   1HB   CYS  43          1HB       CYS  43  -3.451  17.449   3.700
  304   2HB   CYS  43          2HB       CYS  43  -1.846  18.103   3.495
  305    H    GLU  44           H        GLU  44  -4.332  15.588   4.070
  306    HA   GLU  44           HA       GLU  44  -4.948  13.084   4.505
  307   1HB   GLU  44          1HB       GLU  44  -6.472  14.693   2.446
  308   2HB   GLU  44          2HB       GLU  44  -7.060  13.323   3.386
  309   1HG   GLU  44          1HG       GLU  44  -7.905  15.137   4.534
  310   2HG   GLU  44          2HG       GLU  44  -6.510  14.682   5.495
  311    H    GLY  45           H        GLY  45  -5.018  11.019   3.543
  312   1HA   GLY  45          1HA       GLY  45  -4.988  10.711   0.667
  313   2HA   GLY  45          2HA       GLY  45  -3.537  10.104   1.494
  314    H    ASN  46           H        ASN  46  -5.048   8.254   0.221
  315    HA   ASN  46           HA       ASN  46  -6.924   7.044   2.156
  316   1HB   ASN  46          1HB       ASN  46  -6.159   6.147  -0.630
  317   2HB   ASN  46          2HB       ASN  46  -7.400   5.415   0.371
  318   1HD2  ASN  46          1HD2      ASN  46  -9.138   5.634  -1.053
  319   2HD2  ASN  46          2HD2      ASN  46  -9.750   7.235  -1.420
  320    H    GLY  47           H        GLY  47  -6.562   4.401   1.658
  321   1HA   GLY  47          1HA       GLY  47  -4.721   3.688   3.662
  322   2HA   GLY  47          2HA       GLY  47  -5.532   2.569   2.571
  323    H    ASN  48           H        ASN  48  -4.198   3.663   0.115
  324    HA   ASN  48           HA       ASN  48  -1.759   2.076   0.416
  325   1HB   ASN  48          1HB       ASN  48  -3.273   1.911  -1.645
  326   2HB   ASN  48          2HB       ASN  48  -2.614   3.465  -2.141
  327   1HD2  ASN  48          1HD2      ASN  48  -2.169   1.465  -3.837
  328   2HD2  ASN  48          2HD2      ASN  48  -0.572   0.805  -3.790
  329    H    ASN  49           H        ASN  49  -1.043   3.643   2.050
  330    HA   ASN  49           HA       ASN  49   0.971   5.365   0.734
  331   1HB   ASN  49          1HB       ASN  49  -1.030   6.788   1.386
  332   2HB   ASN  49          2HB       ASN  49  -0.799   6.297   3.048
  333   1HD2  ASN  49          1HD2      ASN  49  -0.034   8.577   0.727
  334   2HD2  ASN  49          2HD2      ASN  49   1.205   9.428   1.593
  335    H    PHE  50           H        PHE  50   2.705   4.244   1.379
  336    HA   PHE  50           HA       PHE  50   2.850   3.226   4.152
  337   1HB   PHE  50          1HB       PHE  50   4.152   2.157   1.640
  338   2HB   PHE  50          2HB       PHE  50   4.485   1.563   3.203
  339    HD1  PHE  50           1HD      PHE  50   2.577   0.649   4.671
  340    HD2  PHE  50           2HD      PHE  50   2.104   1.475   0.466
  341    HE1  PHE  50           1HE      PHE  50   0.501  -0.699   4.638
  342    HE2  PHE  50           2HE      PHE  50   0.079   0.067   0.426
  343    HZ   PHE  50           HZ       PHE  50  -0.779  -0.948   2.525
  344    H    HIS  51           H        HIS  51   4.934   3.072   4.994
  345    HA   HIS  51           HA       HIS  51   6.352   5.670   4.584
  346   1HB   HIS  51          1HB       HIS  51   6.089   3.906   7.048
  347   2HB   HIS  51          2HB       HIS  51   6.730   5.528   6.939
  348    HD1  HIS  51           1HD      HIS  51   4.610   7.330   5.793
  349    HD2  HIS  51           2HD      HIS  51   3.529   3.520   7.246
  350    HE1  HIS  51           1HE      HIS  51   2.048   7.117   5.529
  351    HE2  HIS  51           2HE      HIS  51   1.412   4.829   6.404
  352    H    SER  52           H        SER  52   6.639   2.401   4.188
  353    HA   SER  52           HA       SER  52   9.552   2.467   3.728
  354   1HB   SER  52          1HB       SER  52   9.618   0.357   5.305
  355   2HB   SER  52          2HB       SER  52   9.633   1.963   6.036
  356    HG   SER  52           HG       SER  52   7.993   0.267   6.857
  357    H    ARG  53           H        ARG  53  10.257   0.320   2.952
  358    HA   ARG  53           HA       ARG  53   8.537  -0.787   0.859
  359   1HB   ARG  53          1HB       ARG  53  10.965  -0.723   0.612
  360   2HB   ARG  53          2HB       ARG  53  11.148  -1.752   2.038
  361   1HG   ARG  53          1HG       ARG  53  11.375  -3.105   0.165
  362   2HG   ARG  53          2HG       ARG  53   9.841  -3.555   0.866
  363   1HD   ARG  53          1HD       ARG  53   8.689  -2.204  -0.907
  364   2HD   ARG  53          2HD       ARG  53  10.225  -1.768  -1.587
  365    HE   ARG  53           HE       ARG  53   8.776  -4.226  -1.964
  366   1HH1  ARG  53          2HH2      ARG  53  12.092  -3.068  -1.974
  367   2HH1  ARG  53          1HH2      ARG  53  12.753  -4.565  -2.562
  368   1HH2  ARG  53          2HH1      ARG  53   9.670  -6.228  -2.316
  369   2HH2  ARG  53          1HH1      ARG  53  11.277  -6.440  -2.856
  370    H    GLU  54           H        GLU  54   9.780  -1.879   3.991
  371    HA   GLU  54           HA       GLU  54   8.679  -4.299   4.484
  372   1HB   GLU  54          1HB       GLU  54  10.212  -3.352   5.928
  373   2HB   GLU  54          2HB       GLU  54   9.463  -1.820   5.997
  374   1HG   GLU  54          1HG       GLU  54   7.759  -3.808   7.336
  375   2HG   GLU  54          2HG       GLU  54   9.419  -3.880   7.933
  376    H    SER  55           H        SER  55   7.124  -1.480   5.902
  377    HA   SER  55           HA       SER  55   4.729  -2.643   6.425
  378   1HB   SER  55          1HB       SER  55   3.645  -0.381   6.415
  379   2HB   SER  55          2HB       SER  55   5.165  -0.484   7.305
  380    HG   SER  55           HG       SER  55   6.205   0.622   5.786
  381    H    CYS  56           H        CYS  56   5.580  -1.391   3.276
  382    HA   CYS  56           HA       CYS  56   2.921  -1.625   2.154
  383   1HB   CYS  56          1HB       CYS  56   5.016  -0.207   1.384
  384   2HB   CYS  56          2HB       CYS  56   5.620  -1.683   0.690
  385    H    GLU  57           H        GLU  57   5.852  -3.622   1.959
  386    HA   GLU  57           HA       GLU  57   4.524  -5.724   0.494
  387   1HB   GLU  57          1HB       GLU  57   7.074  -5.750   2.130
  388   2HB   GLU  57          2HB       GLU  57   6.427  -7.169   1.275
  389   1HG   GLU  57          1HG       GLU  57   6.303  -5.726  -0.830
  390   2HG   GLU  57          2HG       GLU  57   7.233  -4.504   0.029
  391    H    ASP  58           H        ASP  58   4.757  -4.989   3.962
  392    HA   ASP  58           HA       ASP  58   3.551  -7.353   4.908
  393   1HB   ASP  58          1HB       ASP  58   4.521  -5.488   6.352
  394   2HB   ASP  58          2HB       ASP  58   2.978  -4.640   6.144
  395    H    ALA  59           H        ALA  59   2.062  -4.306   3.548
  396    HA   ALA  59           HA       ALA  59  -0.609  -5.418   3.816
  397   1HB   ALA  59          1HB       ALA  59  -1.289  -3.664   2.224
  398   2HB   ALA  59          2HB       ALA  59  -0.264  -3.028   3.532
  399   3HB   ALA  59          3HB       ALA  59   0.409  -3.275   1.904
  400    H    CYS  60           H        CYS  60   1.504  -5.132   0.843
  401    HA   CYS  60           HA       CYS  60   0.952  -7.801   0.024
  402   1HB   CYS  60          1HB       CYS  60  -0.124  -5.460  -1.569
  403   2HB   CYS  60          2HB       CYS  60   0.272  -6.915  -2.327
  404    HA   PRO  61           HA       PRO  61   1.266  -8.670  -1.922
  405   1HB   PRO  61          1HB       PRO  61   2.606  -9.883  -3.907
  406   2HB   PRO  61          2HB       PRO  61   1.852  -8.275  -4.114
  407   1HG   PRO  61          1HG       PRO  61   4.784  -8.913  -3.639
  408   2HG   PRO  61          2HG       PRO  61   4.065  -7.717  -4.746
  409   1HD   PRO  61          1HD       PRO  61   4.991  -7.234  -2.102
  410   2HD   PRO  61          2HD       PRO  61   3.975  -6.136  -3.073
  411    H    VAL  62           H        VAL  62   1.567  -9.735   0.147
  412    HA   VAL  62           HA       VAL  62   3.492 -11.944   0.156
  413    HB   VAL  62           HB       VAL  62   3.064  -9.987   2.468
  414   1HG1  VAL  62          1HG1      VAL  62   3.389 -12.077   3.571
  415   2HG1  VAL  62          2HG1      VAL  62   4.657 -12.578   2.406
  416   3HG1  VAL  62          3HG1      VAL  62   4.943 -11.288   3.590
  417   1HG2  VAL  62          1HG2      VAL  62   5.589 -10.633   0.850
  418   2HG2  VAL  62          2HG2      VAL  62   4.679  -9.118   0.773
  419   3HG2  VAL  62          3HG2      VAL  62   5.508  -9.538   2.255
  420    H    VAL  63           H        VAL  63   2.483 -13.149   2.459
  421    HA   VAL  63           HA       VAL  63  -0.108 -14.090   1.635
  422    HB   VAL  63           HB       VAL  63   0.994 -14.236   4.448
  423   1HG1  VAL  63          1HG1      VAL  63  -1.302 -15.046   4.201
  424   2HG1  VAL  63          2HG1      VAL  63  -0.807 -16.118   2.869
  425   3HG1  VAL  63          3HG1      VAL  63  -0.219 -16.400   4.521
  426   1HG2  VAL  63          1HG2      VAL  63   1.706 -16.071   2.110
  427   2HG2  VAL  63          2HG2      VAL  63   2.834 -15.055   3.036
  428   3HG2  VAL  63          3HG2      VAL  63   2.057 -16.426   3.816
  429    H    ASP  64           H        ASP  64  -2.096 -13.513   2.519
  430    HA   ASP  64           HA       ASP  64  -2.949 -11.029   2.435
  431   1HB   ASP  64          1HB       ASP  64  -4.581 -12.722   2.612
  432   2HB   ASP  64          2HB       ASP  64  -4.014 -13.230   4.208
  433    H    HIS  65           H        HIS  65  -2.986  -9.253   3.371
  434    HA   HIS  65           HA       HIS  65  -1.567  -7.946   5.147
  435   1HB   HIS  65          1HB       HIS  65  -4.603  -7.501   5.259
  436   2HB   HIS  65          2HB       HIS  65  -3.308  -6.328   5.243
  437    HD1  HIS  65           1HD      HIS  65  -5.128  -8.830   2.925
  438    HD2  HIS  65           2HD      HIS  65  -3.168  -5.070   2.942
  439    HE1  HIS  65           1HE      HIS  65  -5.724  -7.616   0.714
  440    HE2  HIS  65           2HE      HIS  65  -4.648  -5.393   0.800
  441    H    HIS  66           H        HIS  66  -0.968  -9.014   6.966
  442    HA   HIS  66           HA       HIS  66  -1.995 -10.931   8.432
  443   1HB   HIS  66          1HB       HIS  66  -0.273  -8.775   9.641
  444   2HB   HIS  66          2HB       HIS  66  -0.336 -10.490  10.088
  445    HD1  HIS  66           1HD      HIS  66   1.741  -8.240   7.921
  446    HD2  HIS  66           2HD      HIS  66  -0.303 -11.918   7.295
  447    HE1  HIS  66           1HE      HIS  66   2.294  -9.005   5.645
  448    HE2  HIS  66           2HE      HIS  66   0.988 -11.173   5.198
  449    H    HIS  67           H        HIS  67  -4.121 -10.809   8.432
  450    HA   HIS  67           HA       HIS  67  -5.653  -8.953   9.867
  451   1HB   HIS  67          1HB       HIS  67  -6.104 -11.539   8.392
  452   2HB   HIS  67          2HB       HIS  67  -7.340 -11.104   9.544
  453    HD1  HIS  67           1HD      HIS  67  -6.273 -10.286   6.047
  454    HD2  HIS  67           2HD      HIS  67  -8.704  -8.733   9.155
  455    HE1  HIS  67           1HE      HIS  67  -7.862  -8.589   4.969
  456    HE2  HIS  67           2HE      HIS  67  -9.388  -7.663   6.929
  457    H    HIS  68           H        HIS  68  -6.796  -9.042  11.659
  458    HA   HIS  68           HA       HIS  68  -5.924 -10.744  13.907
  459   1HB   HIS  68          1HB       HIS  68  -7.628  -9.346  15.156
  460   2HB   HIS  68          2HB       HIS  68  -6.432  -8.358  14.339
  461    HD1  HIS  68           1HD      HIS  68 -10.234  -9.225  14.113
  462    HD2  HIS  68           2HD      HIS  68  -7.258  -6.906  12.136
  463    HE1  HIS  68           1HE      HIS  68 -11.423  -7.787  12.400
  464    HE2  HIS  68           2HE      HIS  68  -9.650  -6.556  11.085
  465    H    HIS  69           H        HIS  69  -8.076 -11.769  15.143
  466    HA   HIS  69           HA       HIS  69  -9.373 -13.607  13.350
  467   1HB   HIS  69          1HB       HIS  69  -9.290 -13.948  15.829
  468   2HB   HIS  69          2HB       HIS  69 -10.355 -12.562  16.060
  469    HD1  HIS  69           1HD      HIS  69 -12.904 -13.104  14.298
  470    HD2  HIS  69           2HD      HIS  69 -10.596 -16.143  16.215
  471    HE1  HIS  69           1HE      HIS  69 -14.406 -15.062  14.571
  472    HE2  HIS  69           2HE      HIS  69 -13.046 -16.951  15.721
  473    H    HIS  70           H        HIS  70 -10.773 -12.972  11.702
  474    HA   HIS  70           HA       HIS  70 -11.651 -10.269  11.518
  475   1HB   HIS  70          1HB       HIS  70 -11.248 -12.001   9.610
  476   2HB   HIS  70          2HB       HIS  70 -12.896 -12.546   9.955
  477    HD1  HIS  70           1HD      HIS  70 -14.363  -9.864  10.337
  478    HD2  HIS  70           2HD      HIS  70 -11.272 -10.433   7.522
  479    HE1  HIS  70           1HE      HIS  70 -14.644  -8.007   8.504
  480    HE2  HIS  70           2HE      HIS  70 -12.629  -8.311   6.914
  Start of MODEL   10
    1   1H    GLU   1          1H        GLU   1   0.731  -8.604   6.975
    2   2H    GLU   1          2H        GLU   1   0.978  -6.986   7.147
    3   3H    GLU   1          H         GLU   1   0.658  -7.608   5.677
    4    HA   GLU   1           HA       GLU   1  -1.257  -7.647   7.887
    5   1HB   GLU   1          1HB       GLU   1  -0.504  -5.394   6.583
    6   2HB   GLU   1          2HB       GLU   1  -1.662  -5.995   5.402
    7   1HG   GLU   1          1HG       GLU   1  -2.141  -5.402   8.363
    8   2HG   GLU   1          2HG       GLU   1  -2.751  -4.468   6.986
    9    H    ALA   2           H        ALA   2  -3.219  -8.785   7.330
   10    HA   ALA   2           HA       ALA   2  -3.499  -9.974   4.656
   11   1HB   ALA   2          1HB       ALA   2  -3.254 -11.705   7.157
   12   2HB   ALA   2          2HB       ALA   2  -3.697 -12.258   5.531
   13   3HB   ALA   2          3HB       ALA   2  -2.068 -11.612   5.824
   14    H    GLU   3           H        GLU   3  -4.880  -8.577   7.451
   15    HA   GLU   3           HA       GLU   3  -7.409 -10.016   7.225
   16   1HB   GLU   3          1HB       GLU   3  -6.366  -8.203   9.415
   17   2HB   GLU   3          2HB       GLU   3  -7.930  -9.024   9.403
   18   1HG   GLU   3          1HG       GLU   3  -5.176 -10.300   9.528
   19   2HG   GLU   3          2HG       GLU   3  -6.464 -10.379  10.727
   20    H    ALA   4           H        ALA   4  -6.184  -6.910   6.261
   21    HA   ALA   4           HA       ALA   4  -8.459  -5.350   6.416
   22   1HB   ALA   4          1HB       ALA   4  -7.479  -3.980   4.646
   23   2HB   ALA   4          2HB       ALA   4  -6.255  -4.499   5.821
   24   3HB   ALA   4          3HB       ALA   4  -6.359  -5.289   4.229
   25    H    GLU   5           H        GLU   5 -10.080  -7.072   6.002
   26    HA   GLU   5           HA       GLU   5 -11.075  -7.618   3.417
   27   1HB   GLU   5          1HB       GLU   5 -12.465  -7.554   6.116
   28   2HB   GLU   5          2HB       GLU   5 -13.230  -8.120   4.626
   29   1HG   GLU   5          1HG       GLU   5 -10.721  -9.347   5.865
   30   2HG   GLU   5          2HG       GLU   5 -12.349  -9.978   6.000
   31    H    PHE   6           H        PHE   6 -11.041  -4.738   5.172
   32    HA   PHE   6           HA       PHE   6 -13.295  -3.340   3.947
   33   1HB   PHE   6          1HB       PHE   6 -12.236  -2.725   6.132
   34   2HB   PHE   6          2HB       PHE   6 -10.742  -2.349   5.289
   35    HD1  PHE   6           1HD      PHE   6 -10.334  -0.062   4.886
   36    HD2  PHE   6           2HD      PHE   6 -14.420  -1.457   5.061
   37    HE1  PHE   6           1HE      PHE   6 -11.141   2.238   4.471
   38    HE2  PHE   6           2HE      PHE   6 -15.216   0.848   4.627
   39    HZ   PHE   6           HZ       PHE   6 -13.586   2.703   4.336
   40    H    THR   7           H        THR   7 -12.115  -1.095   2.948
   41    HA   THR   7           HA       THR   7 -11.447  -1.615   0.253
   42    HB   THR   7           HB       THR   7 -10.730   0.891   1.842
   43    HG1  THR   7           1HG      THR   7 -12.765   0.859   2.335
   44   1HG2  THR   7          1HG2      THR   7 -11.253   2.033  -0.273
   45   2HG2  THR   7          2HG2      THR   7  -9.994   0.811  -0.531
   46   3HG2  THR   7          3HG2      THR   7 -11.668   0.483  -1.036
   47    H    ASP   8           H        ASP   8  -9.805  -3.112   0.152
   48    HA   ASP   8           HA       ASP   8  -7.474  -3.212   1.679
   49   1HB   ASP   8          1HB       ASP   8  -8.471  -5.079   0.501
   50   2HB   ASP   8          2HB       ASP   8  -8.069  -4.373  -1.064
   51    H    ALA   9           H        ALA   9  -5.835  -1.901   1.707
   52    HA   ALA   9           HA       ALA   9  -5.093   0.151  -0.033
   53   1HB   ALA   9          1HB       ALA   9  -2.857  -0.054   1.063
   54   2HB   ALA   9          2HB       ALA   9  -4.203  -0.015   2.217
   55   3HB   ALA   9          3HB       ALA   9  -3.394  -1.555   1.827
   56    H    CYS  10           H        CYS  10  -4.192  -3.314  -0.138
   57    HA   CYS  10           HA       CYS  10  -2.097  -3.139  -2.049
   58   1HB   CYS  10          1HB       CYS  10  -2.629  -4.973  -0.466
   59   2HB   CYS  10          2HB       CYS  10  -4.060  -5.362  -1.402
   60    H    VAL  11           H        VAL  11  -5.640  -3.162  -2.434
   61    HA   VAL  11           HA       VAL  11  -5.398  -3.487  -5.377
   62    HB   VAL  11           HB       VAL  11  -7.855  -3.564  -3.577
   63   1HG1  VAL  11          1HG1      VAL  11  -8.483  -3.111  -5.904
   64   2HG1  VAL  11          2HG1      VAL  11  -7.459  -4.447  -6.473
   65   3HG1  VAL  11          3HG1      VAL  11  -8.911  -4.767  -5.495
   66   1HG2  VAL  11          1HG2      VAL  11  -6.402  -5.464  -2.987
   67   2HG2  VAL  11          2HG2      VAL  11  -7.784  -6.040  -3.898
   68   3HG2  VAL  11          3HG2      VAL  11  -6.202  -5.876  -4.698
   69    H    LEU  12           H        LEU  12  -5.403  -0.976  -3.098
   70    HA   LEU  12           HA       LEU  12  -7.218   0.779  -4.622
   71   1HB   LEU  12          1HB       LEU  12  -7.864   0.715  -2.512
   72   2HB   LEU  12          2HB       LEU  12  -6.242   0.516  -1.838
   73    HG   LEU  12           HG       LEU  12  -6.085   3.105  -2.502
   74   1HD1  LEU  12          1HD1      LEU  12  -8.559   3.023  -3.384
   75   2HD1  LEU  12          2HD1      LEU  12  -9.035   2.706  -1.731
   76   3HD1  LEU  12          3HD1      LEU  12  -8.247   4.236  -2.128
   77   1HD2  LEU  12          1HD2      LEU  12  -7.065   3.462  -0.088
   78   2HD2  LEU  12          2HD2      LEU  12  -7.343   1.731  -0.088
   79   3HD2  LEU  12          3HD2      LEU  12  -5.692   2.341  -0.273
   80    HA   PRO  13           HA       PRO  13  -3.630   2.657  -6.337
   81   1HB   PRO  13          1HB       PRO  13  -4.664   5.067  -7.260
   82   2HB   PRO  13          2HB       PRO  13  -4.870   3.486  -8.047
   83   1HG   PRO  13          1HG       PRO  13  -6.805   5.032  -6.348
   84   2HG   PRO  13          2HG       PRO  13  -7.152   3.941  -7.721
   85   1HD   PRO  13          1HD       PRO  13  -7.340   3.331  -4.976
   86   2HD   PRO  13          2HD       PRO  13  -7.320   2.107  -6.258
   87    H    ALA  14           H        ALA  14  -2.437   4.747  -6.309
   88    HA   ALA  14           HA       ALA  14  -2.180   5.781  -3.526
   89   1HB   ALA  14          1HB       ALA  14  -0.156   4.819  -4.632
   90   2HB   ALA  14          2HB       ALA  14  -0.321   6.014  -5.946
   91   3HB   ALA  14          3HB       ALA  14   0.013   6.543  -4.287
   92    H    VAL  15           H        VAL  15  -2.065   8.176  -3.294
   93    HA   VAL  15           HA       VAL  15  -2.905   9.815  -5.573
   94    HB   VAL  15           HB       VAL  15  -4.437   9.542  -2.969
   95   1HG1  VAL  15          1HG1      VAL  15  -4.286  11.911  -3.289
   96   2HG1  VAL  15          2HG1      VAL  15  -4.749  11.765  -5.011
   97   3HG1  VAL  15          3HG1      VAL  15  -5.904  11.392  -3.711
   98   1HG2  VAL  15          1HG2      VAL  15  -6.411   9.239  -4.489
   99   2HG2  VAL  15          2HG2      VAL  15  -5.322   9.333  -5.891
  100   3HG2  VAL  15          3HG2      VAL  15  -5.194   7.991  -4.737
  101    H    GLN  16           H        GLN  16  -2.240  11.891  -5.299
  102    HA   GLN  16           HA       GLN  16   0.068  12.331  -3.578
  103   1HB   GLN  16          1HB       GLN  16  -1.293  13.970  -5.738
  104   2HB   GLN  16          2HB       GLN  16  -0.108  14.713  -4.653
  105   1HG   GLN  16          1HG       GLN  16   1.571  13.088  -5.241
  106   2HG   GLN  16          2HG       GLN  16   0.446  12.194  -6.273
  107   1HE2  GLN  16          1HE2      GLN  16   2.259  15.343  -5.916
  108   2HE2  GLN  16          2HE2      GLN  16   2.358  15.520  -7.653
  109    H    GLY  17           H        GLY  17  -3.006  14.141  -3.994
  110   1HA   GLY  17          1HA       GLY  17  -4.437  14.590  -2.068
  111   2HA   GLY  17          2HA       GLY  17  -2.960  14.914  -1.149
  112    HA   PRO  18           HA       PRO  18  -4.528  18.664  -3.563
  113   1HB   PRO  18          1HB       PRO  18  -5.595  20.240  -1.571
  114   2HB   PRO  18          2HB       PRO  18  -6.491  18.938  -2.403
  115   1HG   PRO  18          1HG       PRO  18  -5.060  18.798   0.268
  116   2HG   PRO  18          2HG       PRO  18  -6.715  18.245  -0.145
  117   1HD   PRO  18          1HD       PRO  18  -4.603  16.520  -0.083
  118   2HD   PRO  18          2HD       PRO  18  -5.899  16.346  -1.287
  119    H    CYS  19           H        CYS  19  -2.164  18.174  -1.179
  120    HA   CYS  19           HA       CYS  19  -1.314  20.881  -0.714
  121   1HB   CYS  19          1HB       CYS  19   0.128  18.223  -0.343
  122   2HB   CYS  19          2HB       CYS  19   0.725  19.769   0.233
  123    H    ARG  20           H        ARG  20   1.199  21.233  -1.103
  124    HA   ARG  20           HA       ARG  20   2.003  20.503  -3.841
  125   1HB   ARG  20          1HB       ARG  20   1.709  23.322  -2.809
  126   2HB   ARG  20          2HB       ARG  20   2.927  22.908  -3.999
  127   1HG   ARG  20          1HG       ARG  20   1.444  23.041  -5.639
  128   2HG   ARG  20          2HG       ARG  20   0.537  21.697  -4.995
  129   1HD   ARG  20          1HD       ARG  20   0.156  24.610  -4.234
  130   2HD   ARG  20          2HD       ARG  20  -0.788  23.746  -5.449
  131    HE   ARG  20           HE       ARG  20  -1.481  22.172  -3.600
  132   1HH1  ARG  20          2HH2      ARG  20  -0.812  25.603  -2.948
  133   2HH1  ARG  20          1HH2      ARG  20  -1.980  25.744  -1.683
  134   1HH2  ARG  20          2HH1      ARG  20  -3.065  22.377  -2.012
  135   2HH2  ARG  20          1HH1      ARG  20  -3.300  23.824  -1.092
  136    H    GLY  21           H        GLY  21   2.687  20.031  -0.915
  137   1HA   GLY  21          1HA       GLY  21   5.650  20.452  -0.989
  138   2HA   GLY  21          2HA       GLY  21   4.703  20.035   0.483
  139    H    TRP  22           H        TRP  22   6.820  18.234  -0.788
  140    HA   TRP  22           HA       TRP  22   5.049  16.038  -1.669
  141   1HB   TRP  22          1HB       TRP  22   7.654  16.902  -2.927
  142   2HB   TRP  22          2HB       TRP  22   6.720  15.500  -3.381
  143    HD1  TRP  22           HD       TRP  22   7.453  18.615  -4.725
  144    HE1  TRP  22           1HE      TRP  22   5.605  19.794  -6.022
  145    HE3  TRP  22           3HE      TRP  22   3.416  15.895  -3.094
  146    HZ2  TRP  22           2HZ      TRP  22   2.725  19.625  -6.305
  147    HZ3  TRP  22           3HZ      TRP  22   1.137  16.486  -3.838
  148    HH2  TRP  22           HH       TRP  22   0.777  18.328  -5.451
  149    H    GLU  23           H        GLU  23   5.106  14.672  -0.216
  150    HA   GLU  23           HA       GLU  23   7.464  13.896   1.399
  151   1HB   GLU  23          1HB       GLU  23   5.499  14.434   2.686
  152   2HB   GLU  23          2HB       GLU  23   4.440  13.537   1.609
  153   1HG   GLU  23          1HG       GLU  23   4.562  12.285   3.527
  154   2HG   GLU  23          2HG       GLU  23   5.495  11.416   2.323
  155    HA   PRO  24           HA       PRO  24   7.418  10.413  -1.740
  156   1HB   PRO  24          1HB       PRO  24   9.729   9.218  -0.981
  157   2HB   PRO  24          2HB       PRO  24   9.715  10.737  -1.931
  158   1HG   PRO  24          1HG       PRO  24  10.121  10.406   1.055
  159   2HG   PRO  24          2HG       PRO  24  11.057  11.417  -0.087
  160   1HD   PRO  24          1HD       PRO  24   9.033  12.391   1.496
  161   2HD   PRO  24          2HD       PRO  24   9.394  13.077  -0.117
  162    H    ARG  25           H        ARG  25   6.201   8.691  -1.419
  163    HA   ARG  25           HA       ARG  25   6.450   7.157   1.118
  164   1HB   ARG  25          1HB       ARG  25   3.872   8.061  -0.231
  165   2HB   ARG  25          2HB       ARG  25   3.912   6.769   0.976
  166   1HG   ARG  25          1HG       ARG  25   4.841   9.617   1.442
  167   2HG   ARG  25          2HG       ARG  25   3.264   8.981   1.885
  168   1HD   ARG  25          1HD       ARG  25   4.302   7.343   3.398
  169   2HD   ARG  25          2HD       ARG  25   5.911   7.927   2.965
  170    HE   ARG  25           HE       ARG  25   5.695   9.809   4.237
  171   1HH1  ARG  25          2HH2      ARG  25   2.482   8.288   4.141
  172   2HH1  ARG  25          1HH2      ARG  25   1.802   9.352   5.323
  173   1HH2  ARG  25          2HH1      ARG  25   4.921  11.093   5.705
  174   2HH2  ARG  25          1HH1      ARG  25   3.293  11.056   6.348
  175    H    TRP  26           H        TRP  26   5.119   5.008   0.708
  176    HA   TRP  26           HA       TRP  26   6.071   3.875  -1.887
  177   1HB   TRP  26          1HB       TRP  26   6.116   2.851   0.981
  178   2HB   TRP  26          2HB       TRP  26   6.241   1.772  -0.402
  179    HD1  TRP  26           HD       TRP  26   8.164   4.685   1.268
  180    HE1  TRP  26           1HE      TRP  26  10.610   4.584   0.548
  181    HE3  TRP  26           3HE      TRP  26   7.869   0.696  -1.842
  182    HZ2  TRP  26           2HZ      TRP  26  12.215   3.053  -1.386
  183    HZ3  TRP  26           3HZ      TRP  26   9.736   0.198  -3.452
  184    HH2  TRP  26           HH       TRP  26  11.937   1.263  -3.114
  185    H    ALA  27           H        ALA  27   4.501   2.640  -3.028
  186    HA   ALA  27           HA       ALA  27   2.023   1.926  -1.576
  187   1HB   ALA  27          1HB       ALA  27   2.082   3.419  -4.237
  188   2HB   ALA  27          2HB       ALA  27   0.668   2.586  -3.579
  189   3HB   ALA  27          3HB       ALA  27   1.336   3.957  -2.702
  190    H    TYR  28           H        TYR  28   1.076   0.064  -2.317
  191    HA   TYR  28           HA       TYR  28   2.804  -1.693  -3.884
  192   1HB   TYR  28          1HB       TYR  28   1.504  -2.505  -1.871
  193   2HB   TYR  28          2HB       TYR  28   0.020  -2.222  -2.758
  194    HD1  TYR  28           1HD      TYR  28  -0.771  -3.787  -4.415
  195    HD2  TYR  28           2HD      TYR  28   3.149  -4.302  -2.708
  196    HE1  TYR  28           1HE      TYR  28  -0.566  -5.988  -5.520
  197    HE2  TYR  28           2HE      TYR  28   3.397  -6.439  -3.873
  198    HH   TYR  28           HH       TYR  28   2.438  -7.939  -5.373
  199    H    SER  29           H        SER  29   2.452  -2.381  -5.980
  200    HA   SER  29           HA       SER  29   0.031  -1.366  -7.370
  201   1HB   SER  29          1HB       SER  29   2.933  -1.361  -8.139
  202   2HB   SER  29          2HB       SER  29   1.729  -1.289  -9.387
  203    HG   SER  29           HG       SER  29   1.234   0.270  -7.151
  204    HA   PRO  30           HA       PRO  30  -0.129  -5.882  -7.803
  205   1HB   PRO  30          1HB       PRO  30  -2.692  -6.008  -8.851
  206   2HB   PRO  30          2HB       PRO  30  -2.312  -5.976  -7.102
  207   1HG   PRO  30          1HG       PRO  30  -3.235  -3.734  -8.878
  208   2HG   PRO  30          2HG       PRO  30  -3.670  -4.063  -7.176
  209   1HD   PRO  30          1HD       PRO  30  -1.823  -2.176  -7.942
  210   2HD   PRO  30          2HD       PRO  30  -1.725  -3.037  -6.383
  211    H    LEU  31           H        LEU  31  -1.005  -3.368 -10.161
  212    HA   LEU  31           HA       LEU  31  -0.689  -4.866 -12.553
  213   1HB   LEU  31          1HB       LEU  31  -0.284  -1.894 -11.985
  214   2HB   LEU  31          2HB       LEU  31  -0.283  -2.646 -13.564
  215    HG   LEU  31           HG       LEU  31  -2.674  -3.609 -12.634
  216   1HD1  LEU  31          1HD1      LEU  31  -2.545  -2.250 -10.538
  217   2HD1  LEU  31          2HD1      LEU  31  -2.429  -0.774 -11.518
  218   3HD1  LEU  31          3HD1      LEU  31  -3.898  -1.770 -11.563
  219   1HD2  LEU  31          1HD2      LEU  31  -3.734  -1.887 -14.032
  220   2HD2  LEU  31          2HD2      LEU  31  -2.215  -0.955 -14.054
  221   3HD2  LEU  31          3HD2      LEU  31  -2.297  -2.562 -14.810
  222    H    LEU  32           H        LEU  32   1.695  -3.876 -10.233
  223    HA   LEU  32           HA       LEU  32   3.908  -4.482 -12.131
  224   1HB   LEU  32          1HB       LEU  32   3.618  -2.689  -9.728
  225   2HB   LEU  32          2HB       LEU  32   5.201  -3.214 -10.220
  226    HG   LEU  32           HG       LEU  32   3.324  -1.778 -12.143
  227   1HD1  LEU  32          1HD1      LEU  32   4.704   0.243 -11.717
  228   2HD1  LEU  32          2HD1      LEU  32   3.784  -0.266 -10.300
  229   3HD1  LEU  32          3HD1      LEU  32   5.534  -0.615 -10.398
  230   1HD2  LEU  32          1HD2      LEU  32   5.421  -1.330 -13.407
  231   2HD2  LEU  32          2HD2      LEU  32   6.337  -2.295 -12.226
  232   3HD2  LEU  32          3HD2      LEU  32   5.114  -3.058 -13.259
  233    H    GLN  33           H        GLN  33   1.986  -5.715  -9.761
  234    HA   GLN  33           HA       GLN  33   1.950  -7.179  -8.178
  235   1HB   GLN  33          1HB       GLN  33   2.680  -8.475 -10.265
  236   2HB   GLN  33          2HB       GLN  33   4.296  -8.521  -9.558
  237   1HG   GLN  33          1HG       GLN  33   2.393  -9.315  -7.539
  238   2HG   GLN  33          2HG       GLN  33   1.966 -10.160  -9.013
  239   1HE2  GLN  33          1HE2      GLN  33   4.917  -9.419  -7.049
  240   2HE2  GLN  33          2HE2      GLN  33   5.636 -11.016  -7.315
  241    H    GLN  34           H        GLN  34   3.668  -4.780  -7.682
  242    HA   GLN  34           HA       GLN  34   5.169  -5.748  -5.368
  243   1HB   GLN  34          1HB       GLN  34   6.674  -6.062  -7.552
  244   2HB   GLN  34          2HB       GLN  34   6.776  -4.303  -7.481
  245   1HG   GLN  34          1HG       GLN  34   7.605  -4.739  -4.994
  246   2HG   GLN  34          2HG       GLN  34   7.899  -6.360  -5.584
  247   1HE2  GLN  34          1HE2      GLN  34   8.669  -2.841  -6.228
  248   2HE2  GLN  34          2HE2      GLN  34  10.205  -3.263  -6.995
  249    H    CYS  35           H        CYS  35   6.265  -3.846  -4.311
  250    HA   CYS  35           HA       CYS  35   4.611  -1.410  -4.507
  251   1HB   CYS  35          1HB       CYS  35   6.755  -2.336  -2.561
  252   2HB   CYS  35          2HB       CYS  35   6.121  -0.699  -2.566
  253    H    HIS  36           H        HIS  36   5.420   0.600  -4.664
  254    HA   HIS  36           HA       HIS  36   8.257   0.978  -5.417
  255   1HB   HIS  36          1HB       HIS  36   7.794   2.159  -7.502
  256   2HB   HIS  36          2HB       HIS  36   7.195   0.514  -7.585
  257    HD1  HIS  36           1HD      HIS  36   5.836   4.131  -7.128
  258    HD2  HIS  36           2HD      HIS  36   4.514   0.195  -8.078
  259    HE1  HIS  36           1HE      HIS  36   3.397   4.308  -7.868
  260    HE2  HIS  36           2HE      HIS  36   2.638   1.860  -8.408
  261    HA   PRO  37           HA       PRO  37   7.660   4.824  -3.232
  262   1HB   PRO  37          1HB       PRO  37   9.293   6.200  -5.356
  263   2HB   PRO  37          2HB       PRO  37   9.516   6.217  -3.581
  264   1HG   PRO  37          1HG       PRO  37  11.121   4.724  -5.210
  265   2HG   PRO  37          2HG       PRO  37  10.583   4.122  -3.614
  266   1HD   PRO  37          1HD       PRO  37   9.505   3.412  -6.343
  267   2HD   PRO  37          2HD       PRO  37   9.801   2.369  -4.936
  268    H    PHE  38           H        PHE  38   6.583   7.108  -3.528
  269    HA   PHE  38           HA       PHE  38   5.755   7.848  -6.161
  270   1HB   PHE  38          1HB       PHE  38   3.433   7.633  -6.004
  271   2HB   PHE  38          2HB       PHE  38   4.032   6.058  -5.548
  272    HD1  PHE  38           1HD      PHE  38   1.910   8.796  -4.648
  273    HD2  PHE  38           2HD      PHE  38   4.130   5.508  -2.964
  274    HE1  PHE  38           1HE      PHE  38   0.536   8.918  -2.618
  275    HE2  PHE  38           2HE      PHE  38   2.646   5.587  -0.960
  276    HZ   PHE  38           HZ       PHE  38   0.864   7.273  -0.779
  277    H    VAL  39           H        VAL  39   4.392   9.937  -5.937
  278    HA   VAL  39           HA       VAL  39   5.594  11.566  -3.793
  279    HB   VAL  39           HB       VAL  39   3.988  12.362  -6.293
  280   1HG1  VAL  39          1HG1      VAL  39   4.860  14.648  -5.733
  281   2HG1  VAL  39          2HG1      VAL  39   3.709  14.016  -4.547
  282   3HG1  VAL  39          3HG1      VAL  39   5.438  13.989  -4.183
  283   1HG2  VAL  39          1HG2      VAL  39   6.221  11.449  -6.885
  284   2HG2  VAL  39          2HG2      VAL  39   6.193  13.200  -7.101
  285   3HG2  VAL  39          3HG2      VAL  39   6.984  12.501  -5.673
  286    H    TYR  40           H        TYR  40   4.399  12.169  -2.034
  287    HA   TYR  40           HA       TYR  40   1.455  12.096  -2.138
  288   1HB   TYR  40          1HB       TYR  40   2.054  10.097  -1.031
  289   2HB   TYR  40          2HB       TYR  40   3.374  10.848  -0.176
  290    HD1  TYR  40           1HD      TYR  40   3.114  11.359   2.019
  291    HD2  TYR  40           2HD      TYR  40  -0.390  11.251  -0.493
  292    HE1  TYR  40           1HE      TYR  40   1.713  11.712   3.996
  293    HE2  TYR  40           2HE      TYR  40  -1.813  11.672   1.491
  294    HH   TYR  40           HH       TYR  40  -1.695  12.421   3.780
  295    H    GLY  41           H        GLY  41   0.603  13.659  -0.421
  296   1HA   GLY  41          1HA       GLY  41   2.428  16.018  -0.272
  297   2HA   GLY  41          2HA       GLY  41   0.695  16.050  -0.493
  298    H    GLY  42           H        GLY  42   1.233  13.782   1.943
  299   1HA   GLY  42          1HA       GLY  42   1.416  13.896   4.249
  300   2HA   GLY  42          2HA       GLY  42   1.670  15.645   4.179
  301    H    CYS  43           H        CYS  43  -0.729  16.160   2.611
  302    HA   CYS  43           HA       CYS  43  -2.839  16.049   4.625
  303   1HB   CYS  43          1HB       CYS  43  -4.112  17.242   2.738
  304   2HB   CYS  43          2HB       CYS  43  -2.764  18.067   3.471
  305    H    GLU  44           H        GLU  44  -5.070  15.617   3.333
  306    HA   GLU  44           HA       GLU  44  -5.833  13.086   3.286
  307   1HB   GLU  44          1HB       GLU  44  -6.730  15.021   1.135
  308   2HB   GLU  44          2HB       GLU  44  -7.590  13.618   1.763
  309   1HG   GLU  44          1HG       GLU  44  -8.619  15.330   2.891
  310   2HG   GLU  44          2HG       GLU  44  -7.453  14.788   4.084
  311    H    GLY  45           H        GLY  45  -5.639  11.211   2.076
  312   1HA   GLY  45          1HA       GLY  45  -5.028  11.052  -0.676
  313   2HA   GLY  45          2HA       GLY  45  -3.601  10.663   0.298
  314    H    ASN  46           H        ASN  46  -4.205   8.413  -0.797
  315    HA   ASN  46           HA       ASN  46  -6.523   7.134   0.545
  316   1HB   ASN  46          1HB       ASN  46  -4.677   5.822  -1.465
  317   2HB   ASN  46          2HB       ASN  46  -6.208   5.254  -0.897
  318   1HD2  ASN  46          1HD2      ASN  46  -6.186   5.115  -3.452
  319   2HD2  ASN  46          2HD2      ASN  46  -7.167   6.432  -4.124
  320    H    GLY  47           H        GLY  47  -5.970   4.718   0.907
  321   1HA   GLY  47          1HA       GLY  47  -4.283   4.704   3.323
  322   2HA   GLY  47          2HA       GLY  47  -5.392   3.423   2.806
  323    H    ASN  48           H        ASN  48  -3.799   3.861   0.035
  324    HA   ASN  48           HA       ASN  48  -1.799   1.753   0.594
  325   1HB   ASN  48          1HB       ASN  48  -3.309   1.651  -1.426
  326   2HB   ASN  48          2HB       ASN  48  -2.510   3.096  -2.045
  327   1HD2  ASN  48          1HD2      ASN  48  -2.390   1.063  -3.611
  328   2HD2  ASN  48          2HD2      ASN  48  -0.847   0.224  -3.666
  329    H    ASN  49           H        ASN  49  -0.745   3.214   2.095
  330    HA   ASN  49           HA       ASN  49   1.179   5.043   0.793
  331   1HB   ASN  49          1HB       ASN  49  -0.918   6.313   1.411
  332   2HB   ASN  49          2HB       ASN  49  -0.686   5.831   3.090
  333   1HD2  ASN  49          1HD2      ASN  49  -0.591   8.484   1.513
  334   2HD2  ASN  49          2HD2      ASN  49   0.875   9.260   2.028
  335    H    PHE  50           H        PHE  50   2.993   4.075   1.469
  336    HA   PHE  50           HA       PHE  50   3.231   3.137   4.270
  337   1HB   PHE  50          1HB       PHE  50   4.307   1.953   1.689
  338   2HB   PHE  50          2HB       PHE  50   4.797   1.379   3.216
  339    HD1  PHE  50           1HD      PHE  50   2.131   1.297   0.728
  340    HD2  PHE  50           2HD      PHE  50   2.932   0.630   4.919
  341    HE1  PHE  50           1HE      PHE  50  -0.099   0.266   1.005
  342    HE2  PHE  50           2HE      PHE  50   0.678  -0.350   5.187
  343    HZ   PHE  50           HZ       PHE  50  -0.868  -0.470   3.250
  344    H    HIS  51           H        HIS  51   5.390   3.016   5.060
  345    HA   HIS  51           HA       HIS  51   6.654   5.681   4.675
  346   1HB   HIS  51          1HB       HIS  51   7.180   3.513   6.761
  347   2HB   HIS  51          2HB       HIS  51   7.646   5.190   6.834
  348    HD1  HIS  51           1HD      HIS  51   5.538   6.937   7.438
  349    HD2  HIS  51           2HD      HIS  51   4.760   2.782   7.457
  350    HE1  HIS  51           1HE      HIS  51   3.225   6.618   8.570
  351    HE2  HIS  51           2HE      HIS  51   2.766   4.075   8.565
  352    H    SER  52           H        SER  52   7.151   2.403   3.794
  353    HA   SER  52           HA       SER  52   9.949   2.860   3.019
  354   1HB   SER  52          1HB       SER  52  10.505   0.766   4.562
  355   2HB   SER  52          2HB       SER  52  10.366   2.355   5.329
  356    HG   SER  52           HG       SER  52   9.047   0.498   6.330
  357    H    ARG  53           H        ARG  53  10.846   0.754   2.209
  358    HA   ARG  53           HA       ARG  53   9.132  -0.561   0.301
  359   1HB   ARG  53          1HB       ARG  53  11.590  -0.313   0.065
  360   2HB   ARG  53          2HB       ARG  53  11.816  -1.399   1.440
  361   1HG   ARG  53          1HG       ARG  53  12.116  -2.629  -0.533
  362   2HG   ARG  53          2HG       ARG  53  10.612  -3.206   0.167
  363   1HD   ARG  53          1HD       ARG  53   9.333  -1.977  -1.522
  364   2HD   ARG  53          2HD       ARG  53  10.756  -1.125  -2.042
  365    HE   ARG  53           HE       ARG  53  11.707  -3.209  -2.891
  366   1HH1  ARG  53          2HH2      ARG  53   8.322  -3.483  -1.997
  367   2HH1  ARG  53          1HH2      ARG  53   8.274  -5.118  -2.520
  368   1HH2  ARG  53          2HH1      ARG  53  11.462  -5.459  -3.562
  369   2HH2  ARG  53          1HH1      ARG  53   9.991  -6.177  -3.044
  370    H    GLU  54           H        GLU  54  10.544  -1.523   3.410
  371    HA   GLU  54           HA       GLU  54   9.556  -3.992   3.982
  372   1HB   GLU  54          1HB       GLU  54  11.172  -2.975   5.296
  373   2HB   GLU  54          2HB       GLU  54  10.357  -1.477   5.420
  374   1HG   GLU  54          1HG       GLU  54   8.812  -3.464   6.895
  375   2HG   GLU  54          2HG       GLU  54  10.516  -3.580   7.338
  376    H    SER  55           H        SER  55   8.042  -1.190   5.517
  377    HA   SER  55           HA       SER  55   5.721  -2.467   6.167
  378   1HB   SER  55          1HB       SER  55   4.564  -0.273   6.386
  379   2HB   SER  55          2HB       SER  55   6.137  -0.384   7.170
  380    HG   SER  55           HG       SER  55   7.051   0.823   5.578
  381    H    CYS  56           H        CYS  56   6.320  -1.096   3.013
  382    HA   CYS  56           HA       CYS  56   3.613  -1.353   2.012
  383   1HB   CYS  56          1HB       CYS  56   5.684   0.013   1.186
  384   2HB   CYS  56          2HB       CYS  56   6.187  -1.459   0.402
  385    H    GLU  57           H        GLU  57   6.526  -3.364   1.966
  386    HA   GLU  57           HA       GLU  57   5.273  -5.519   0.508
  387   1HB   GLU  57          1HB       GLU  57   7.830  -5.491   2.129
  388   2HB   GLU  57          2HB       GLU  57   7.157  -6.959   1.369
  389   1HG   GLU  57          1HG       GLU  57   6.927  -5.601  -0.792
  390   2HG   GLU  57          2HG       GLU  57   7.890  -4.359  -0.031
  391    H    ASP  58           H        ASP  58   5.372  -4.720   3.970
  392    HA   ASP  58           HA       ASP  58   4.019  -7.136   4.738
  393   1HB   ASP  58          1HB       ASP  58   5.033  -5.740   6.456
  394   2HB   ASP  58          2HB       ASP  58   3.900  -4.423   6.101
  395    H    ALA  59           H        ALA  59   2.818  -3.980   3.487
  396    HA   ALA  59           HA       ALA  59   0.054  -4.563   3.720
  397   1HB   ALA  59          1HB       ALA  59   1.213  -2.405   2.883
  398   2HB   ALA  59          2HB       ALA  59   1.135  -3.139   1.270
  399   3HB   ALA  59          3HB       ALA  59  -0.360  -2.856   2.169
  400    H    CYS  60           H        CYS  60   2.305  -5.350   1.008
  401    HA   CYS  60           HA       CYS  60   1.264  -7.913   0.600
  402   1HB   CYS  60          1HB       CYS  60   0.639  -5.821  -1.458
  403   2HB   CYS  60          2HB       CYS  60   0.940  -7.400  -1.945
  404    HA   PRO  61           HA       PRO  61   1.538  -9.211  -1.189
  405   1HB   PRO  61          1HB       PRO  61   3.000 -11.328  -2.126
  406   2HB   PRO  61          2HB       PRO  61   2.644  -9.887  -3.127
  407   1HG   PRO  61          1HG       PRO  61   5.190 -10.512  -1.596
  408   2HG   PRO  61          2HG       PRO  61   5.017  -9.894  -3.265
  409   1HD   PRO  61          1HD       PRO  61   5.468  -8.290  -1.022
  410   2HD   PRO  61          2HD       PRO  61   4.677  -7.718  -2.516
  411    H    VAL  62           H        VAL  62   0.759 -10.125   0.714
  412    HA   VAL  62           HA       VAL  62   2.445 -11.914   2.328
  413    HB   VAL  62           HB       VAL  62   0.698  -9.644   3.370
  414   1HG1  VAL  62          1HG1      VAL  62   1.934 -11.947   4.939
  415   2HG1  VAL  62          2HG1      VAL  62   1.538 -10.388   5.679
  416   3HG1  VAL  62          3HG1      VAL  62   0.245 -11.333   4.989
  417   1HG2  VAL  62          1HG2      VAL  62   2.847  -9.004   4.524
  418   2HG2  VAL  62          2HG2      VAL  62   3.671 -10.302   3.637
  419   3HG2  VAL  62          3HG2      VAL  62   2.937  -8.939   2.775
  420    H    VAL  63           H        VAL  63   0.287 -12.772   3.947
  421    HA   VAL  63           HA       VAL  63  -1.080 -14.536   2.165
  422    HB   VAL  63           HB       VAL  63  -2.158 -13.820   4.882
  423   1HG1  VAL  63          1HG1      VAL  63  -2.067 -16.435   3.335
  424   2HG1  VAL  63          2HG1      VAL  63  -2.805 -16.191   4.935
  425   3HG1  VAL  63          3HG1      VAL  63  -3.482 -15.369   3.528
  426   1HG2  VAL  63          1HG2      VAL  63   0.215 -14.182   5.359
  427   2HG2  VAL  63          2HG2      VAL  63  -0.690 -15.597   5.877
  428   3HG2  VAL  63          3HG2      VAL  63   0.225 -15.651   4.352
  429    H    ASP  64           H        ASP  64  -3.080 -14.379   1.323
  430    HA   ASP  64           HA       ASP  64  -3.787 -11.800   0.377
  431   1HB   ASP  64          1HB       ASP  64  -4.038 -13.739  -1.019
  432   2HB   ASP  64          2HB       ASP  64  -5.140 -14.506   0.141
  433    H    HIS  65           H        HIS  65  -5.412 -10.447   0.708
  434    HA   HIS  65           HA       HIS  65  -6.939 -10.422   3.119
  435   1HB   HIS  65          1HB       HIS  65  -7.048  -8.672   0.617
  436   2HB   HIS  65          2HB       HIS  65  -7.892  -8.370   2.152
  437    HD1  HIS  65           1HD      HIS  65  -4.972  -7.062   0.573
  438    HD2  HIS  65           2HD      HIS  65  -6.098  -8.375   4.382
  439    HE1  HIS  65           1HE      HIS  65  -3.119  -6.247   2.186
  440    HE2  HIS  65           2HE      HIS  65  -4.002  -6.890   4.571
  441    H    HIS  66           H        HIS  66  -8.142 -12.088   3.126
  442    HA   HIS  66           HA       HIS  66  -9.080 -13.865   1.465
  443   1HB   HIS  66          1HB       HIS  66 -11.014 -13.249   3.632
  444   2HB   HIS  66          2HB       HIS  66 -10.245 -14.757   3.212
  445    HD1  HIS  66           1HD      HIS  66  -7.078 -13.727   3.790
  446    HD2  HIS  66           2HD      HIS  66 -10.533 -12.876   6.112
  447    HE1  HIS  66           1HE      HIS  66  -6.297 -13.141   6.149
  448    HE2  HIS  66           2HE      HIS  66  -8.302 -12.649   7.545
  449    H    HIS  67           H        HIS  67 -11.019 -10.897   1.884
  450    HA   HIS  67           HA       HIS  67 -13.303 -11.714   0.586
  451   1HB   HIS  67          1HB       HIS  67 -13.797  -9.380   0.131
  452   2HB   HIS  67          2HB       HIS  67 -13.223  -9.649   1.763
  453    HD1  HIS  67           1HD      HIS  67  -9.981  -9.452   0.511
  454    HD2  HIS  67           2HD      HIS  67 -13.224  -6.767   0.794
  455    HE1  HIS  67           1HE      HIS  67  -8.987  -7.100   0.752
  456    HE2  HIS  67           2HE      HIS  67 -10.979  -5.499   1.046
  457    H    HIS  68           H        HIS  68 -12.669 -13.160  -1.136
  458    HA   HIS  68           HA       HIS  68 -12.314 -11.712  -3.730
  459   1HB   HIS  68          1HB       HIS  68 -10.775 -14.081  -2.612
  460   2HB   HIS  68          2HB       HIS  68 -10.989 -13.935  -4.343
  461    HD1  HIS  68           1HD      HIS  68  -9.446 -12.299  -5.619
  462    HD2  HIS  68           2HD      HIS  68  -9.206 -12.248  -1.404
  463    HE1  HIS  68           1HE      HIS  68  -7.229 -11.072  -4.958
  464    HE2  HIS  68           2HE      HIS  68  -7.135 -11.178  -2.372
  465    H    HIS  69           H        HIS  69 -12.886 -12.949  -5.533
  466    HA   HIS  69           HA       HIS  69 -14.538 -15.348  -5.236
  467   1HB   HIS  69          1HB       HIS  69 -16.039 -13.192  -5.114
  468   2HB   HIS  69          2HB       HIS  69 -15.793 -13.123  -6.862
  469    HD1  HIS  69           1HD      HIS  69 -16.135 -16.036  -7.741
  470    HD2  HIS  69           2HD      HIS  69 -18.297 -14.315  -4.546
  471    HE1  HIS  69           1HE      HIS  69 -18.265 -17.501  -7.410
  472    HE2  HIS  69           2HE      HIS  69 -19.564 -16.426  -5.447
  473    H    HIS  70           H        HIS  70 -12.116 -13.689  -6.689
  474    HA   HIS  70           HA       HIS  70 -11.370 -15.490  -8.604
  475   1HB   HIS  70          1HB       HIS  70 -12.948 -14.028 -10.020
  476   2HB   HIS  70          2HB       HIS  70 -11.963 -12.635  -9.552
  477    HD1  HIS  70           1HD      HIS  70  -9.124 -14.148  -9.936
  478    HD2  HIS  70           2HD      HIS  70 -12.371 -13.970 -12.628
  479    HE1  HIS  70           1HE      HIS  70  -8.132 -14.545 -12.315
  480    HE2  HIS  70           2HE      HIS  70 -10.141 -14.435 -13.946
  Start of MODEL   11
    1   1H    GLU   1          1H        GLU   1  -9.380  -0.983  -2.823
    2   2H    GLU   1          2H        GLU   1  -9.386   0.283  -3.923
    3   3H    GLU   1          H         GLU   1  -8.884  -1.213  -4.379
    4    HA   GLU   1           HA       GLU   1 -11.555  -0.263  -3.759
    5   1HB   GLU   1          1HB       GLU   1 -10.220  -1.496  -6.175
    6   2HB   GLU   1          2HB       GLU   1 -11.963  -1.645  -5.956
    7   1HG   GLU   1          1HG       GLU   1 -11.547   0.287  -7.321
    8   2HG   GLU   1          2HG       GLU   1 -12.216   0.789  -5.768
    9    H    ALA   2           H        ALA   2 -13.016  -2.648  -4.510
   10    HA   ALA   2           HA       ALA   2 -12.327  -4.444  -2.291
   11   1HB   ALA   2          1HB       ALA   2 -14.173  -3.723  -0.954
   12   2HB   ALA   2          2HB       ALA   2 -13.356  -2.234  -1.409
   13   3HB   ALA   2          3HB       ALA   2 -14.840  -2.708  -2.248
   14    H    GLU   3           H        GLU   3 -14.621  -5.515  -1.848
   15    HA   GLU   3           HA       GLU   3 -16.086  -6.279  -4.298
   16   1HB   GLU   3          1HB       GLU   3 -14.661  -8.250  -2.447
   17   2HB   GLU   3          2HB       GLU   3 -16.121  -8.678  -3.330
   18   1HG   GLU   3          1HG       GLU   3 -14.989  -8.171  -5.481
   19   2HG   GLU   3          2HG       GLU   3 -13.499  -7.816  -4.585
   20    H    ALA   4           H        ALA   4 -15.576  -6.807  -0.832
   21    HA   ALA   4           HA       ALA   4 -18.415  -6.245  -0.199
   22   1HB   ALA   4          1HB       ALA   4 -16.502  -8.004   1.392
   23   2HB   ALA   4          2HB       ALA   4 -18.274  -7.861   1.546
   24   3HB   ALA   4          3HB       ALA   4 -17.582  -8.672   0.148
   25    H    GLU   5           H        GLU   5 -17.772  -5.946   2.649
   26    HA   GLU   5           HA       GLU   5 -17.029  -3.258   2.756
   27   1HB   GLU   5          1HB       GLU   5 -16.352  -5.077   5.081
   28   2HB   GLU   5          2HB       GLU   5 -16.933  -3.423   5.087
   29   1HG   GLU   5          1HG       GLU   5 -18.777  -4.574   5.854
   30   2HG   GLU   5          2HG       GLU   5 -19.164  -4.431   4.137
   31    H    PHE   6           H        PHE   6 -14.969  -6.032   2.652
   32    HA   PHE   6           HA       PHE   6 -12.529  -4.929   3.688
   33   1HB   PHE   6          1HB       PHE   6 -13.061  -7.313   3.625
   34   2HB   PHE   6          2HB       PHE   6 -13.067  -7.295   1.860
   35    HD1  PHE   6           1HD      PHE   6 -10.898  -6.773   4.880
   36    HD2  PHE   6           2HD      PHE   6 -11.020  -7.616   0.646
   37    HE1  PHE   6           1HE      PHE   6  -8.474  -7.294   4.909
   38    HE2  PHE   6           2HE      PHE   6  -8.576  -8.172   0.714
   39    HZ   PHE   6           HZ       PHE   6  -7.327  -7.989   2.807
   40    H    THR   7           H        THR   7 -12.129  -2.977   2.748
   41    HA   THR   7           HA       THR   7 -11.505  -2.834  -0.145
   42    HB   THR   7           HB       THR   7 -11.675  -0.645   1.982
   43    HG1  THR   7           1HG      THR   7 -13.691  -1.672   1.645
   44   1HG2  THR   7          1HG2      THR   7 -11.885   0.881   0.066
   45   2HG2  THR   7          2HG2      THR   7 -10.358  -0.014  -0.028
   46   3HG2  THR   7          3HG2      THR   7 -11.730  -0.477  -1.066
   47    H    ASP   8           H        ASP   8  -9.523  -3.916  -0.237
   48    HA   ASP   8           HA       ASP   8  -7.592  -3.685   1.942
   49   1HB   ASP   8          1HB       ASP   8  -8.060  -5.742   0.504
   50   2HB   ASP   8          2HB       ASP   8  -7.159  -4.947  -0.777
   51    H    ALA   9           H        ALA   9  -5.678  -2.568   1.900
   52    HA   ALA   9           HA       ALA   9  -5.434  -0.175   0.289
   53   1HB   ALA   9          1HB       ALA   9  -3.424  -1.531   2.123
   54   2HB   ALA   9          2HB       ALA   9  -3.245   0.071   1.383
   55   3HB   ALA   9          3HB       ALA   9  -4.541  -0.207   2.557
   56    H    CYS  10           H        CYS  10  -4.143  -3.494   0.182
   57    HA   CYS  10           HA       CYS  10  -2.184  -3.180  -1.867
   58   1HB   CYS  10          1HB       CYS  10  -2.339  -5.085  -0.392
   59   2HB   CYS  10          2HB       CYS  10  -3.954  -5.472  -0.951
   60    H    VAL  11           H        VAL  11  -5.729  -3.258  -2.008
   61    HA   VAL  11           HA       VAL  11  -5.687  -3.630  -4.950
   62    HB   VAL  11           HB       VAL  11  -7.947  -3.843  -2.923
   63   1HG1  VAL  11          1HG1      VAL  11  -7.913  -4.544  -5.895
   64   2HG1  VAL  11          2HG1      VAL  11  -9.191  -5.018  -4.752
   65   3HG1  VAL  11          3HG1      VAL  11  -8.931  -3.324  -5.112
   66   1HG2  VAL  11          1HG2      VAL  11  -6.431  -6.023  -4.445
   67   2HG2  VAL  11          2HG2      VAL  11  -6.280  -5.709  -2.713
   68   3HG2  VAL  11          3HG2      VAL  11  -7.812  -6.278  -3.354
   69    H    LEU  12           H        LEU  12  -5.311  -1.024  -2.904
   70    HA   LEU  12           HA       LEU  12  -7.283   0.724  -4.276
   71   1HB   LEU  12          1HB       LEU  12  -7.848   0.601  -2.097
   72   2HB   LEU  12          2HB       LEU  12  -6.187   0.475  -1.531
   73    HG   LEU  12           HG       LEU  12  -6.178   3.069  -2.224
   74   1HD1  LEU  12          1HD1      LEU  12  -9.051   2.565  -1.256
   75   2HD1  LEU  12          2HD1      LEU  12  -8.335   4.120  -1.718
   76   3HD1  LEU  12          3HD1      LEU  12  -8.692   2.895  -2.941
   77   1HD2  LEU  12          1HD2      LEU  12  -7.279   1.702   0.277
   78   2HD2  LEU  12          2HD2      LEU  12  -5.618   2.231  -0.027
   79   3HD2  LEU  12          3HD2      LEU  12  -6.919   3.420   0.230
   80    HA   PRO  13           HA       PRO  13  -3.768   2.667  -6.046
   81   1HB   PRO  13          1HB       PRO  13  -4.852   5.077  -6.894
   82   2HB   PRO  13          2HB       PRO  13  -5.120   3.500  -7.674
   83   1HG   PRO  13          1HG       PRO  13  -6.938   5.038  -5.847
   84   2HG   PRO  13          2HG       PRO  13  -7.365   3.974  -7.218
   85   1HD   PRO  13          1HD       PRO  13  -7.423   3.292  -4.497
   86   2HD   PRO  13          2HD       PRO  13  -7.420   2.108  -5.812
   87    H    ALA  14           H        ALA  14  -2.669   4.897  -6.084
   88    HA   ALA  14           HA       ALA  14  -2.293   5.886  -3.295
   89   1HB   ALA  14          1HB       ALA  14   0.012   6.334  -3.956
   90   2HB   ALA  14          2HB       ALA  14  -0.359   4.642  -4.307
   91   3HB   ALA  14          3HB       ALA  14  -0.314   5.833  -5.627
   92    H    VAL  15           H        VAL  15  -2.023   8.256  -3.136
   93    HA   VAL  15           HA       VAL  15  -2.786   9.855  -5.495
   94    HB   VAL  15           HB       VAL  15  -4.296   9.642  -2.873
   95   1HG1  VAL  15          1HG1      VAL  15  -4.635  11.815  -4.960
   96   2HG1  VAL  15          2HG1      VAL  15  -5.784  11.461  -3.648
   97   3HG1  VAL  15          3HG1      VAL  15  -4.168  12.001  -3.242
   98   1HG2  VAL  15          1HG2      VAL  15  -6.281   9.298  -4.382
   99   2HG2  VAL  15          2HG2      VAL  15  -5.187   9.329  -5.781
  100   3HG2  VAL  15          3HG2      VAL  15  -5.070   8.036  -4.568
  101    H    GLN  16           H        GLN  16  -2.151  11.940  -5.298
  102    HA   GLN  16           HA       GLN  16   0.166  12.575  -3.655
  103   1HB   GLN  16          1HB       GLN  16  -1.474  14.063  -5.726
  104   2HB   GLN  16          2HB       GLN  16  -0.296  14.921  -4.727
  105   1HG   GLN  16          1HG       GLN  16   0.706  14.384  -6.827
  106   2HG   GLN  16          2HG       GLN  16   1.485  13.431  -5.566
  107   1HE2  GLN  16          1HE2      GLN  16   1.608  11.227  -5.907
  108   2HE2  GLN  16          2HE2      GLN  16   0.745  10.417  -7.224
  109    H    GLY  17           H        GLY  17  -2.929  14.290  -4.055
  110   1HA   GLY  17          1HA       GLY  17  -4.425  14.767  -2.188
  111   2HA   GLY  17          2HA       GLY  17  -2.976  15.102  -1.224
  112    HA   PRO  18           HA       PRO  18  -4.428  18.818  -3.787
  113   1HB   PRO  18          1HB       PRO  18  -5.384  20.512  -1.827
  114   2HB   PRO  18          2HB       PRO  18  -6.352  19.244  -2.633
  115   1HG   PRO  18          1HG       PRO  18  -4.937  19.086   0.042
  116   2HG   PRO  18          2HG       PRO  18  -6.612  18.603  -0.378
  117   1HD   PRO  18          1HD       PRO  18  -4.572  16.792  -0.248
  118   2HD   PRO  18          2HD       PRO  18  -5.868  16.628  -1.449
  119    H    CYS  19           H        CYS  19  -2.008  18.264  -1.555
  120    HA   CYS  19           HA       CYS  19  -0.995  20.873  -0.980
  121   1HB   CYS  19          1HB       CYS  19   0.356  18.144  -1.029
  122   2HB   CYS  19          2HB       CYS  19   1.069  19.582  -0.337
  123    H    ARG  20           H        ARG  20   1.427  21.219  -1.521
  124    HA   ARG  20           HA       ARG  20   2.150  20.645  -4.301
  125   1HB   ARG  20          1HB       ARG  20   1.828  23.421  -3.184
  126   2HB   ARG  20          2HB       ARG  20   3.034  23.069  -4.410
  127   1HG   ARG  20          1HG       ARG  20   1.515  23.209  -6.020
  128   2HG   ARG  20          2HG       ARG  20   0.661  21.825  -5.396
  129   1HD   ARG  20          1HD       ARG  20   0.196  24.722  -4.642
  130   2HD   ARG  20          2HD       ARG  20  -0.773  23.765  -5.765
  131    HE   ARG  20           HE       ARG  20  -1.398  22.279  -3.897
  132   1HH1  ARG  20          2HH2      ARG  20  -0.407  25.598  -3.091
  133   2HH1  ARG  20          1HH2      ARG  20  -1.421  25.719  -1.697
  134   1HH2  ARG  20          2HH1      ARG  20  -2.780  22.467  -2.150
  135   2HH2  ARG  20          1HH1      ARG  20  -2.818  23.848  -1.104
  136    H    GLY  21           H        GLY  21   2.890  20.069  -1.440
  137   1HA   GLY  21          1HA       GLY  21   5.848  20.460  -1.558
  138   2HA   GLY  21          2HA       GLY  21   4.931  20.146  -0.042
  139    H    TRP  22           H        TRP  22   6.945  18.241  -1.291
  140    HA   TRP  22           HA       TRP  22   5.100  16.053  -2.044
  141   1HB   TRP  22          1HB       TRP  22   7.746  16.733  -3.331
  142   2HB   TRP  22          2HB       TRP  22   6.710  15.395  -3.746
  143    HD1  TRP  22           HD       TRP  22   7.630  18.508  -5.081
  144    HE1  TRP  22           1HE      TRP  22   5.831  19.812  -6.341
  145    HE3  TRP  22           3HE      TRP  22   3.486  15.896  -3.556
  146    HZ2  TRP  22           2HZ      TRP  22   2.939  19.793  -6.604
  147    HZ3  TRP  22           3HZ      TRP  22   1.236  16.595  -4.296
  148    HH2  TRP  22           HH       TRP  22   0.949  18.523  -5.818
  149    H    GLU  23           H        GLU  23   5.107  14.783  -0.512
  150    HA   GLU  23           HA       GLU  23   7.394  14.147   1.254
  151   1HB   GLU  23          1HB       GLU  23   5.316  14.904   2.289
  152   2HB   GLU  23          2HB       GLU  23   4.356  13.753   1.366
  153   1HG   GLU  23          1HG       GLU  23   4.486  12.953   3.554
  154   2HG   GLU  23          2HG       GLU  23   5.416  11.882   2.525
  155    HA   PRO  24           HA       PRO  24   7.467  10.439  -1.585
  156   1HB   PRO  24          1HB       PRO  24   9.746   9.288  -0.638
  157   2HB   PRO  24          2HB       PRO  24   9.756  10.708  -1.730
  158   1HG   PRO  24          1HG       PRO  24  10.046  10.678   1.290
  159   2HG   PRO  24          2HG       PRO  24  11.048  11.552   0.089
  160   1HD   PRO  24          1HD       PRO  24   9.021  12.756   1.440
  161   2HD   PRO  24          2HD       PRO  24   9.367  13.178  -0.261
  162    H    ARG  25           H        ARG  25   6.299   8.726  -1.250
  163    HA   ARG  25           HA       ARG  25   6.454   7.252   1.321
  164   1HB   ARG  25          1HB       ARG  25   3.917   8.198  -0.082
  165   2HB   ARG  25          2HB       ARG  25   3.896   6.858   1.066
  166   1HG   ARG  25          1HG       ARG  25   4.856   9.673   1.729
  167   2HG   ARG  25          2HG       ARG  25   3.252   9.025   2.068
  168   1HD   ARG  25          1HD       ARG  25   4.189   7.278   3.485
  169   2HD   ARG  25          2HD       ARG  25   5.831   7.840   3.184
  170    HE   ARG  25           HE       ARG  25   3.736   9.200   4.768
  171   1HH1  ARG  25          2HH2      ARG  25   6.994   9.562   3.271
  172   2HH1  ARG  25          1HH2      ARG  25   7.375  10.904   4.224
  173   1HH2  ARG  25          2HH1      ARG  25   4.446  10.929   6.211
  174   2HH2  ARG  25          1HH1      ARG  25   5.909  11.721   5.793
  175    H    TRP  26           H        TRP  26   5.085   5.090   0.876
  176    HA   TRP  26           HA       TRP  26   6.101   3.942  -1.686
  177   1HB   TRP  26          1HB       TRP  26   6.102   2.913   1.178
  178   2HB   TRP  26          2HB       TRP  26   6.174   1.827  -0.203
  179    HD1  TRP  26           HD       TRP  26   8.263   4.571   1.517
  180    HE1  TRP  26           1HE      TRP  26  10.713   4.279   0.846
  181    HE3  TRP  26           3HE      TRP  26   7.714   0.720  -1.754
  182    HZ2  TRP  26           2HZ      TRP  26  12.237   2.642  -1.057
  183    HZ3  TRP  26           3HZ      TRP  26   9.582   0.068  -3.265
  184    HH2  TRP  26           HH       TRP  26  11.860   0.875  -2.799
  185    H    ALA  27           H        ALA  27   4.535   2.679  -2.815
  186    HA   ALA  27           HA       ALA  27   2.052   2.011  -1.384
  187   1HB   ALA  27          1HB       ALA  27   2.054   3.573  -4.004
  188   2HB   ALA  27          2HB       ALA  27   0.666   2.700  -3.346
  189   3HB   ALA  27          3HB       ALA  27   1.321   4.054  -2.440
  190    H    TYR  28           H        TYR  28   1.041   0.229  -2.186
  191    HA   TYR  28           HA       TYR  28   2.726  -1.557  -3.776
  192   1HB   TYR  28          1HB       TYR  28   1.432  -2.398  -1.802
  193   2HB   TYR  28          2HB       TYR  28  -0.064  -1.976  -2.620
  194    HD1  TYR  28           1HD      TYR  28  -1.056  -3.480  -4.158
  195    HD2  TYR  28           2HD      TYR  28   3.042  -4.086  -3.009
  196    HE1  TYR  28           1HE      TYR  28  -1.057  -5.658  -5.332
  197    HE2  TYR  28           2HE      TYR  28   3.066  -6.230  -4.204
  198    HH   TYR  28           HH       TYR  28   1.868  -7.743  -5.427
  199    H    SER  29           H        SER  29   2.363  -2.237  -5.834
  200    HA   SER  29           HA       SER  29   0.009  -1.144  -7.278
  201   1HB   SER  29          1HB       SER  29   2.932  -1.226  -7.959
  202   2HB   SER  29          2HB       SER  29   1.786  -1.149  -9.256
  203    HG   SER  29           HG       SER  29   1.204   0.439  -7.067
  204    HA   PRO  30           HA       PRO  30  -0.322  -5.652  -7.686
  205   1HB   PRO  30          1HB       PRO  30  -2.853  -5.672  -8.837
  206   2HB   PRO  30          2HB       PRO  30  -2.532  -5.677  -7.080
  207   1HG   PRO  30          1HG       PRO  30  -3.290  -3.371  -8.852
  208   2HG   PRO  30          2HG       PRO  30  -3.809  -3.708  -7.174
  209   1HD   PRO  30          1HD       PRO  30  -1.870  -1.882  -7.805
  210   2HD   PRO  30          2HD       PRO  30  -1.840  -2.815  -6.282
  211    H    LEU  31           H        LEU  31  -1.017  -3.118 -10.102
  212    HA   LEU  31           HA       LEU  31  -0.671  -4.657 -12.459
  213   1HB   LEU  31          1HB       LEU  31  -0.172  -1.695 -11.920
  214   2HB   LEU  31          2HB       LEU  31  -0.151  -2.472 -13.487
  215    HG   LEU  31           HG       LEU  31  -2.603  -3.331 -12.621
  216   1HD1  LEU  31          1HD1      LEU  31  -2.492  -1.958 -10.534
  217   2HD1  LEU  31          2HD1      LEU  31  -2.288  -0.497 -11.522
  218   3HD1  LEU  31          3HD1      LEU  31  -3.790  -1.435 -11.607
  219   1HD2  LEU  31          1HD2      LEU  31  -3.555  -1.585 -14.066
  220   2HD2  LEU  31          2HD2      LEU  31  -2.002  -0.710 -14.049
  221   3HD2  LEU  31          3HD2      LEU  31  -2.121  -2.320 -14.794
  222    H    LEU  32           H        LEU  32   1.675  -3.712 -10.079
  223    HA   LEU  32           HA       LEU  32   3.921  -4.439 -11.900
  224   1HB   LEU  32          1HB       LEU  32   3.635  -2.613  -9.517
  225   2HB   LEU  32          2HB       LEU  32   5.207  -3.210  -9.958
  226    HG   LEU  32           HG       LEU  32   3.451  -1.713 -11.946
  227   1HD1  LEU  32          1HD1      LEU  32   3.918  -0.206 -10.100
  228   2HD1  LEU  32          2HD1      LEU  32   5.654  -0.625 -10.146
  229   3HD1  LEU  32          3HD1      LEU  32   4.897   0.254 -11.494
  230   1HD2  LEU  32          1HD2      LEU  32   6.441  -2.354 -11.933
  231   2HD2  LEU  32          2HD2      LEU  32   5.219  -3.076 -12.998
  232   3HD2  LEU  32          3HD2      LEU  32   5.600  -1.363 -13.149
  233    H    GLN  33           H        GLN  33   1.872  -5.562  -9.595
  234    HA   GLN  33           HA       GLN  33   1.706  -6.988  -7.993
  235   1HB   GLN  33          1HB       GLN  33   2.424  -8.359 -10.036
  236   2HB   GLN  33          2HB       GLN  33   4.011  -8.488  -9.278
  237   1HG   GLN  33          1HG       GLN  33   1.990  -9.149  -7.320
  238   2HG   GLN  33          2HG       GLN  33   1.584  -9.992  -8.799
  239   1HE2  GLN  33          1HE2      GLN  33   4.467  -9.383  -6.695
  240   2HE2  GLN  33          2HE2      GLN  33   5.094 -11.033  -6.888
  241    H    GLN  34           H        GLN  34   3.516  -4.675  -7.437
  242    HA   GLN  34           HA       GLN  34   4.968  -5.723  -5.107
  243   1HB   GLN  34          1HB       GLN  34   6.392  -6.130  -7.307
  244   2HB   GLN  34          2HB       GLN  34   6.637  -4.374  -7.217
  245   1HG   GLN  34          1HG       GLN  34   7.734  -4.568  -5.067
  246   2HG   GLN  34          2HG       GLN  34   7.391  -6.302  -5.006
  247   1HE2  GLN  34          1HE2      GLN  34   8.221  -7.494  -7.174
  248   2HE2  GLN  34          2HE2      GLN  34   9.843  -7.024  -7.654
  249    H    CYS  35           H        CYS  35   6.186  -3.895  -4.030
  250    HA   CYS  35           HA       CYS  35   4.668  -1.368  -4.284
  251   1HB   CYS  35          1HB       CYS  35   6.604  -2.454  -2.252
  252   2HB   CYS  35          2HB       CYS  35   6.174  -0.756  -2.290
  253    H    HIS  36           H        HIS  36   5.508   0.564  -4.414
  254    HA   HIS  36           HA       HIS  36   8.357   0.934  -5.138
  255   1HB   HIS  36          1HB       HIS  36   7.902   2.128  -7.218
  256   2HB   HIS  36          2HB       HIS  36   7.283   0.489  -7.305
  257    HD1  HIS  36           1HD      HIS  36   5.959   4.106  -6.772
  258    HD2  HIS  36           2HD      HIS  36   4.596   0.220  -7.868
  259    HE1  HIS  36           1HE      HIS  36   3.498   4.321  -7.467
  260    HE2  HIS  36           2HE      HIS  36   2.744   1.916  -8.142
  261    HA   PRO  37           HA       PRO  37   7.759   4.775  -2.928
  262   1HB   PRO  37          1HB       PRO  37   9.497   6.144  -4.963
  263   2HB   PRO  37          2HB       PRO  37   9.678   6.096  -3.184
  264   1HG   PRO  37          1HG       PRO  37  11.284   4.618  -4.831
  265   2HG   PRO  37          2HG       PRO  37  10.703   3.979  -3.263
  266   1HD   PRO  37          1HD       PRO  37   9.641   3.394  -6.032
  267   2HD   PRO  37          2HD       PRO  37   9.919   2.287  -4.669
  268    H    PHE  38           H        PHE  38   6.709   7.070  -3.287
  269    HA   PHE  38           HA       PHE  38   5.991   7.764  -5.964
  270   1HB   PHE  38          1HB       PHE  38   3.679   7.494  -5.949
  271   2HB   PHE  38          2HB       PHE  38   4.252   5.953  -5.358
  272    HD1  PHE  38           1HD      PHE  38   4.178   5.545  -2.774
  273    HD2  PHE  38           2HD      PHE  38   2.110   8.782  -4.731
  274    HE1  PHE  38           1HE      PHE  38   2.608   5.756  -0.840
  275    HE2  PHE  38           2HE      PHE  38   0.640   9.025  -2.785
  276    HZ   PHE  38           HZ       PHE  38   0.853   7.485  -0.841
  277    H    VAL  39           H        VAL  39   4.518   9.759  -5.842
  278    HA   VAL  39           HA       VAL  39   5.636  11.562  -3.805
  279    HB   VAL  39           HB       VAL  39   4.119  11.993  -6.431
  280   1HG1  VAL  39          1HG1      VAL  39   3.625  13.878  -4.964
  281   2HG1  VAL  39          2HG1      VAL  39   5.303  13.978  -4.445
  282   3HG1  VAL  39          3HG1      VAL  39   4.856  14.417  -6.110
  283   1HG2  VAL  39          1HG2      VAL  39   7.051  12.435  -5.629
  284   2HG2  VAL  39          2HG2      VAL  39   6.460  11.182  -6.739
  285   3HG2  VAL  39          3HG2      VAL  39   6.344  12.887  -7.192
  286    H    TYR  40           H        TYR  40   4.441  11.993  -2.029
  287    HA   TYR  40           HA       TYR  40   1.487  12.035  -2.180
  288   1HB   TYR  40          1HB       TYR  40   2.040  10.090  -0.976
  289   2HB   TYR  40          2HB       TYR  40   3.395  10.831  -0.174
  290    HD1  TYR  40           1HD      TYR  40   3.192  11.498   1.999
  291    HD2  TYR  40           2HD      TYR  40  -0.360  11.274  -0.443
  292    HE1  TYR  40           1HE      TYR  40   1.821  11.962   3.980
  293    HE2  TYR  40           2HE      TYR  40  -1.748  11.785   1.534
  294    HH   TYR  40           HH       TYR  40  -1.599  12.669   3.764
  295    H    GLY  41           H        GLY  41   0.725  13.682  -0.405
  296   1HA   GLY  41          1HA       GLY  41   2.580  16.032  -0.500
  297   2HA   GLY  41          2HA       GLY  41   0.835  16.064  -0.575
  298    H    GLY  42           H        GLY  42   1.129  13.954   1.876
  299   1HA   GLY  42          1HA       GLY  42   1.446  14.158   4.201
  300   2HA   GLY  42          2HA       GLY  42   1.752  15.893   4.045
  301    H    CYS  43           H        CYS  43  -0.615  16.240   2.288
  302    HA   CYS  43           HA       CYS  43  -2.783  16.445   4.228
  303   1HB   CYS  43          1HB       CYS  43  -3.962  17.298   2.066
  304   2HB   CYS  43          2HB       CYS  43  -2.711  18.267   2.793
  305    H    GLU  44           H        GLU  44  -4.980  15.845   2.962
  306    HA   GLU  44           HA       GLU  44  -5.716  13.303   3.172
  307   1HB   GLU  44          1HB       GLU  44  -6.637  15.064   0.879
  308   2HB   GLU  44          2HB       GLU  44  -7.497  13.721   1.620
  309   1HG   GLU  44          1HG       GLU  44  -8.528  15.480   2.650
  310   2HG   GLU  44          2HG       GLU  44  -7.293  15.120   3.846
  311    H    GLY  45           H        GLY  45  -5.516  11.336   2.101
  312   1HA   GLY  45          1HA       GLY  45  -4.925  11.015  -0.646
  313   2HA   GLY  45          2HA       GLY  45  -3.504  10.653   0.341
  314    H    ASN  46           H        ASN  46  -4.241   8.370  -0.700
  315    HA   ASN  46           HA       ASN  46  -6.552   7.232   0.751
  316   1HB   ASN  46          1HB       ASN  46  -4.804   5.713  -1.195
  317   2HB   ASN  46          2HB       ASN  46  -6.399   5.321  -0.630
  318   1HD2  ASN  46          1HD2      ASN  46  -6.337   5.026  -3.172
  319   2HD2  ASN  46          2HD2      ASN  46  -7.199   6.370  -3.930
  320    H    GLY  47           H        GLY  47  -6.140   4.825   1.241
  321   1HA   GLY  47          1HA       GLY  47  -4.433   4.777   3.607
  322   2HA   GLY  47          2HA       GLY  47  -5.518   3.486   3.065
  323    H    ASN  48           H        ASN  48  -3.928   3.858   0.317
  324    HA   ASN  48           HA       ASN  48  -1.881   1.812   0.920
  325   1HB   ASN  48          1HB       ASN  48  -3.340   1.584  -1.086
  326   2HB   ASN  48          2HB       ASN  48  -2.698   3.100  -1.709
  327   1HD2  ASN  48          1HD2      ASN  48  -2.415   1.195  -3.381
  328   2HD2  ASN  48          2HD2      ASN  48  -0.828   0.471  -3.478
  329    H    ASN  49           H        ASN  49  -0.942   3.406   2.423
  330    HA   ASN  49           HA       ASN  49   1.051   5.143   1.055
  331   1HB   ASN  49          1HB       ASN  49  -0.922   6.525   1.763
  332   2HB   ASN  49          2HB       ASN  49  -0.729   5.953   3.412
  333   1HD2  ASN  49          1HD2      ASN  49  -0.278   8.591   1.636
  334   2HD2  ASN  49          2HD2      ASN  49   1.100   9.304   2.406
  335    H    PHE  50           H        PHE  50   2.822   4.066   1.617
  336    HA   PHE  50           HA       PHE  50   3.133   3.064   4.379
  337   1HB   PHE  50          1HB       PHE  50   4.265   1.972   1.801
  338   2HB   PHE  50          2HB       PHE  50   4.691   1.377   3.333
  339    HD1  PHE  50           1HD      PHE  50   1.987   1.388   0.834
  340    HD2  PHE  50           2HD      PHE  50   2.923   0.490   4.951
  341    HE1  PHE  50           1HE      PHE  50  -0.206   0.265   1.112
  342    HE2  PHE  50           2HE      PHE  50   0.711  -0.581   5.219
  343    HZ   PHE  50           HZ       PHE  50  -0.883  -0.635   3.317
  344    H    HIS  51           H        HIS  51   5.260   2.967   5.128
  345    HA   HIS  51           HA       HIS  51   6.514   5.629   4.664
  346   1HB   HIS  51          1HB       HIS  51   6.595   3.778   7.067
  347   2HB   HIS  51          2HB       HIS  51   7.127   5.438   6.951
  348    HD1  HIS  51           1HD      HIS  51   4.755   7.043   5.892
  349    HD2  HIS  51           2HD      HIS  51   4.163   3.246   7.597
  350    HE1  HIS  51           1HE      HIS  51   2.207   6.610   5.885
  351    HE2  HIS  51           2HE      HIS  51   1.856   4.339   6.962
  352    H    SER  52           H        SER  52   6.991   2.434   4.066
  353    HA   SER  52           HA       SER  52   9.872   2.745   3.475
  354   1HB   SER  52          1HB       SER  52  10.212   0.596   4.970
  355   2HB   SER  52          2HB       SER  52  10.135   2.175   5.754
  356    HG   SER  52           HG       SER  52   8.677   0.332   6.617
  357    H    ARG  53           H        ARG  53  10.733   0.717   2.572
  358    HA   ARG  53           HA       ARG  53   8.992  -0.460   0.555
  359   1HB   ARG  53          1HB       ARG  53  11.360  -0.232   0.132
  360   2HB   ARG  53          2HB       ARG  53  11.743  -1.249   1.522
  361   1HG   ARG  53          1HG       ARG  53  11.939  -2.466  -0.531
  362   2HG   ARG  53          2HG       ARG  53  10.688  -3.182   0.471
  363   1HD   ARG  53          1HD       ARG  53   8.985  -2.041  -1.038
  364   2HD   ARG  53          2HD       ARG  53  10.303  -1.492  -2.040
  365    HE   ARG  53           HE       ARG  53   9.883  -4.377  -1.410
  366   1HH1  ARG  53          2HH2      ARG  53   9.651  -2.148  -4.167
  367   2HH1  ARG  53          1HH2      ARG  53  10.184  -3.375  -5.253
  368   1HH2  ARG  53          2HH1      ARG  53   9.908  -5.873  -2.977
  369   2HH2  ARG  53          1HH1      ARG  53  10.440  -5.479  -4.589
  370    H    GLU  54           H        GLU  54  10.397  -1.560   3.636
  371    HA   GLU  54           HA       GLU  54   9.418  -4.079   4.043
  372   1HB   GLU  54          1HB       GLU  54  10.961  -3.127   5.472
  373   2HB   GLU  54          2HB       GLU  54  10.147  -1.635   5.626
  374   1HG   GLU  54          1HG       GLU  54   8.546  -3.697   6.944
  375   2HG   GLU  54          2HG       GLU  54  10.231  -3.809   7.461
  376    H    SER  55           H        SER  55   7.806  -1.381   5.646
  377    HA   SER  55           HA       SER  55   5.484  -2.696   6.166
  378   1HB   SER  55          1HB       SER  55   4.316  -0.509   6.424
  379   2HB   SER  55          2HB       SER  55   5.885  -0.605   7.219
  380    HG   SER  55           HG       SER  55   6.783   0.673   5.728
  381    H    CYS  56           H        CYS  56   6.161  -1.156   3.109
  382    HA   CYS  56           HA       CYS  56   3.490  -1.364   2.021
  383   1HB   CYS  56          1HB       CYS  56   5.539   0.106   1.362
  384   2HB   CYS  56          2HB       CYS  56   6.120  -1.295   0.492
  385    H    GLU  57           H        GLU  57   6.451  -3.307   1.797
  386    HA   GLU  57           HA       GLU  57   5.422  -5.267   0.020
  387   1HB   GLU  57          1HB       GLU  57   7.721  -5.397   1.867
  388   2HB   GLU  57          2HB       GLU  57   7.249  -6.720   0.774
  389   1HG   GLU  57          1HG       GLU  57   7.528  -3.860  -0.283
  390   2HG   GLU  57          2HG       GLU  57   8.885  -4.887  -0.002
  391    H    ASP  58           H        ASP  58   5.258  -4.892   3.593
  392    HA   ASP  58           HA       ASP  58   3.967  -7.418   4.096
  393   1HB   ASP  58          1HB       ASP  58   4.874  -6.232   5.988
  394   2HB   ASP  58          2HB       ASP  58   3.810  -4.847   5.695
  395    H    ALA  59           H        ALA  59   2.733  -4.132   3.241
  396    HA   ALA  59           HA       ALA  59  -0.014  -4.727   3.330
  397   1HB   ALA  59          1HB       ALA  59  -0.413  -2.876   1.978
  398   2HB   ALA  59          2HB       ALA  59   1.170  -2.501   2.713
  399   3HB   ALA  59          3HB       ALA  59   1.065  -3.079   1.036
  400    H    CYS  60           H        CYS  60   2.317  -5.342   0.648
  401    HA   CYS  60           HA       CYS  60   1.483  -7.888   0.030
  402   1HB   CYS  60          1HB       CYS  60   0.439  -5.730  -1.760
  403   2HB   CYS  60          2HB       CYS  60   0.926  -7.198  -2.427
  404    HA   PRO  61           HA       PRO  61   1.751  -8.977  -2.036
  405   1HB   PRO  61          1HB       PRO  61   3.376 -10.697  -3.391
  406   2HB   PRO  61          2HB       PRO  61   2.849  -9.142  -4.102
  407   1HG   PRO  61          1HG       PRO  61   5.510  -9.795  -2.807
  408   2HG   PRO  61          2HG       PRO  61   5.191  -8.858  -4.292
  409   1HD   PRO  61          1HD       PRO  61   5.584  -7.781  -1.714
  410   2HD   PRO  61          2HD       PRO  61   4.813  -6.923  -3.068
  411    H    VAL  62           H        VAL  62   1.174 -10.360  -0.305
  412    HA   VAL  62           HA       VAL  62   3.213 -12.166   0.781
  413    HB   VAL  62           HB       VAL  62   1.370 -10.754   2.714
  414   1HG1  VAL  62          1HG1      VAL  62   3.242 -11.287   4.350
  415   2HG1  VAL  62          2HG1      VAL  62   2.425 -12.692   3.726
  416   3HG1  VAL  62          3HG1      VAL  62   4.016 -12.219   3.063
  417   1HG2  VAL  62          1HG2      VAL  62   4.140  -9.739   2.000
  418   2HG2  VAL  62          2HG2      VAL  62   2.591  -8.876   1.830
  419   3HG2  VAL  62          3HG2      VAL  62   3.198  -9.259   3.425
  420    H    VAL  63           H        VAL  63   1.800 -13.604   2.459
  421    HA   VAL  63           HA       VAL  63  -0.085 -15.107   1.028
  422    HB   VAL  63           HB       VAL  63   0.279 -14.893   4.030
  423   1HG1  VAL  63          1HG1      VAL  63  -1.680 -16.253   3.521
  424   2HG1  VAL  63          2HG1      VAL  63  -0.763 -17.185   2.306
  425   3HG1  VAL  63          3HG1      VAL  63  -0.375 -17.314   4.034
  426   1HG2  VAL  63          1HG2      VAL  63   1.889 -16.803   3.784
  427   2HG2  VAL  63          2HG2      VAL  63   1.803 -16.612   2.020
  428   3HG2  VAL  63          3HG2      VAL  63   2.486 -15.327   3.043
  429    H    ASP  64           H        ASP  64  -2.331 -15.363   1.464
  430    HA   ASP  64           HA       ASP  64  -3.925 -13.392   0.770
  431   1HB   ASP  64          1HB       ASP  64  -4.914 -15.483   0.800
  432   2HB   ASP  64          2HB       ASP  64  -4.487 -15.789   2.484
  433    H    HIS  65           H        HIS  65  -4.314 -11.429   1.395
  434    HA   HIS  65           HA       HIS  65  -4.441 -10.664   4.156
  435   1HB   HIS  65          1HB       HIS  65  -4.388  -9.170   1.495
  436   2HB   HIS  65          2HB       HIS  65  -4.939  -8.391   2.969
  437    HD1  HIS  65           1HD      HIS  65  -1.876 -10.838   3.084
  438    HD2  HIS  65           2HD      HIS  65  -2.874  -6.706   3.089
  439    HE1  HIS  65           1HE      HIS  65   0.183  -9.523   3.973
  440    HE2  HIS  65           2HE      HIS  65  -0.343  -7.129   3.851
  441    H    HIS  66           H        HIS  66  -6.144 -11.701   4.785
  442    HA   HIS  66           HA       HIS  66  -8.029 -13.102   3.786
  443   1HB   HIS  66          1HB       HIS  66  -8.629 -11.323   6.141
  444   2HB   HIS  66          2HB       HIS  66  -9.353 -12.896   5.778
  445    HD1  HIS  66           1HD      HIS  66  -6.642 -14.461   4.929
  446    HD2  HIS  66           2HD      HIS  66  -7.018 -11.767   8.190
  447    HE1  HIS  66           1HE      HIS  66  -4.646 -14.862   6.425
  448    HE2  HIS  66           2HE      HIS  66  -4.874 -13.264   8.450
  449    H    HIS  67           H        HIS  67  -8.416 -12.487   1.878
  450    HA   HIS  67           HA       HIS  67  -9.959 -10.358   0.958
  451   1HB   HIS  67          1HB       HIS  67  -8.345 -11.549  -0.368
  452   2HB   HIS  67          2HB       HIS  67  -9.181 -13.078  -0.147
  453    HD1  HIS  67           1HD      HIS  67 -11.062 -13.662  -1.800
  454    HD2  HIS  67           2HD      HIS  67  -9.656  -9.682  -2.052
  455    HE1  HIS  67           1HE      HIS  67 -12.152 -12.569  -3.943
  456    HE2  HIS  67           2HE      HIS  67 -11.396 -10.258  -4.050
  457    H    HIS  68           H        HIS  68 -11.746 -10.321   2.426
  458    HA   HIS  68           HA       HIS  68 -13.860 -12.251   2.505
  459   1HB   HIS  68          1HB       HIS  68 -13.577 -10.396   4.108
  460   2HB   HIS  68          2HB       HIS  68 -13.872  -9.239   2.824
  461    HD1  HIS  68           1HD      HIS  68 -16.758 -10.885   1.829
  462    HD2  HIS  68           2HD      HIS  68 -15.478  -8.941   5.385
  463    HE1  HIS  68           1HE      HIS  68 -18.808  -9.909   2.972
  464    HE2  HIS  68           2HE      HIS  68 -17.997  -8.660   5.032
  465    H    HIS  69           H        HIS  69 -14.195 -13.018   0.406
  466    HA   HIS  69           HA       HIS  69 -14.790 -11.465  -1.891
  467   1HB   HIS  69          1HB       HIS  69 -14.248 -13.846  -2.028
  468   2HB   HIS  69          2HB       HIS  69 -15.620 -14.268  -1.005
  469    HD1  HIS  69           1HD      HIS  69 -15.379 -12.355  -4.412
  470    HD2  HIS  69           2HD      HIS  69 -17.827 -14.914  -2.142
  471    HE1  HIS  69           1HE      HIS  69 -17.506 -12.726  -5.720
  472    HE2  HIS  69           2HE      HIS  69 -18.989 -14.097  -4.237
  473    H    HIS  70           H        HIS  70 -16.905 -11.222  -2.942
  474    HA   HIS  70           HA       HIS  70 -19.197 -10.728  -1.097
  475   1HB   HIS  70          1HB       HIS  70 -18.446  -8.644  -2.050
  476   2HB   HIS  70          2HB       HIS  70 -18.295  -9.345  -3.662
  477    HD1  HIS  70           1HD      HIS  70 -20.907 -10.502  -4.290
  478    HD2  HIS  70           2HD      HIS  70 -20.355  -6.877  -2.240
  479    HE1  HIS  70           1HE      HIS  70 -23.083  -9.060  -4.722
  480    HE2  HIS  70           2HE      HIS  70 -22.693  -6.846  -3.419
  Start of MODEL   12
    1   1H    GLU   1          1H        GLU   1   0.922   1.062   7.040
    2   2H    GLU   1          2H        GLU   1   1.258  -0.278   6.141
    3   3H    GLU   1          H         GLU   1   0.599  -0.415   7.681
    4    HA   GLU   1           HA       GLU   1  -1.400   0.364   7.112
    5   1HB   GLU   1          1HB       GLU   1  -0.093   1.391   4.581
    6   2HB   GLU   1          2HB       GLU   1  -1.837   1.217   4.756
    7   1HG   GLU   1          1HG       GLU   1  -1.408   3.448   5.314
    8   2HG   GLU   1          2HG       GLU   1  -1.775   2.620   6.815
    9    H    ALA   2           H        ALA   2   0.108  -2.213   6.886
   10    HA   ALA   2           HA       ALA   2  -1.327  -3.818   4.889
   11   1HB   ALA   2          1HB       ALA   2   0.921  -4.520   5.758
   12   2HB   ALA   2          2HB       ALA   2   0.246  -4.576   7.397
   13   3HB   ALA   2          3HB       ALA   2  -0.359  -5.685   6.147
   14    H    GLU   3           H        GLU   3  -1.609  -2.454   8.002
   15    HA   GLU   3           HA       GLU   3  -3.597  -3.630   9.392
   16   1HB   GLU   3          1HB       GLU   3  -3.416  -0.618   8.971
   17   2HB   GLU   3          2HB       GLU   3  -4.098  -1.474  10.348
   18   1HG   GLU   3          1HG       GLU   3  -2.057  -0.795  11.191
   19   2HG   GLU   3          2HG       GLU   3  -1.694  -2.448  10.692
   20    H    ALA   4           H        ALA   4  -3.977  -2.223   6.280
   21    HA   ALA   4           HA       ALA   4  -6.755  -1.619   6.179
   22   1HB   ALA   4          1HB       ALA   4  -6.397  -1.596   3.767
   23   2HB   ALA   4          2HB       ALA   4  -5.073  -0.746   4.591
   24   3HB   ALA   4          3HB       ALA   4  -4.817  -2.391   3.965
   25    H    GLU   5           H        GLU   5  -6.894  -3.842   7.578
   26    HA   GLU   5           HA       GLU   5  -7.471  -6.232   6.094
   27   1HB   GLU   5          1HB       GLU   5  -8.292  -5.301   8.871
   28   2HB   GLU   5          2HB       GLU   5  -8.616  -6.916   8.235
   29   1HG   GLU   5          1HG       GLU   5  -5.837  -5.682   8.606
   30   2HG   GLU   5          2HG       GLU   5  -6.599  -6.847   9.677
   31    H    PHE   6           H        PHE   6  -8.998  -3.278   6.610
   32    HA   PHE   6           HA       PHE   6 -11.788  -3.834   5.826
   33   1HB   PHE   6          1HB       PHE   6 -10.991  -2.033   7.461
   34   2HB   PHE   6          2HB       PHE   6 -10.201  -1.246   6.104
   35    HD1  PHE   6           1HD      PHE   6 -11.409   0.516   5.079
   36    HD2  PHE   6           2HD      PHE   6 -13.588  -2.657   7.045
   37    HE1  PHE   6           1HE      PHE   6 -13.546   1.651   4.563
   38    HE2  PHE   6           2HE      PHE   6 -15.720  -1.506   6.519
   39    HZ   PHE   6           HZ       PHE   6 -15.703   0.646   5.274
   40    H    THR   7           H        THR   7 -12.097  -1.818   3.999
   41    HA   THR   7           HA       THR   7 -11.587  -2.819   1.458
   42    HB   THR   7           HB       THR   7 -11.592   0.130   2.233
   43    HG1  THR   7           1HG      THR   7 -13.787  -1.573   1.648
   44   1HG2  THR   7          1HG2      THR   7 -12.479  -1.274  -0.336
   45   2HG2  THR   7          2HG2      THR   7 -12.660   0.459   0.026
   46   3HG2  THR   7          3HG2      THR   7 -11.043  -0.241  -0.146
   47    H    ASP   8           H        ASP   8  -9.707  -3.636   0.939
   48    HA   ASP   8           HA       ASP   8  -7.265  -3.064   1.942
   49   1HB   ASP   8          1HB       ASP   8  -8.151  -5.129   0.837
   50   2HB   ASP   8          2HB       ASP   8  -7.739  -4.409  -0.720
   51    H    ALA   9           H        ALA   9  -5.793  -1.685   1.729
   52    HA   ALA   9           HA       ALA   9  -5.558   0.443  -0.148
   53   1HB   ALA   9          1HB       ALA   9  -3.561  -0.895   1.747
   54   2HB   ALA   9          2HB       ALA   9  -3.263   0.611   0.883
   55   3HB   ALA   9          3HB       ALA   9  -4.562   0.536   2.090
   56    H    CYS  10           H        CYS  10  -4.291  -2.889  -0.103
   57    HA   CYS  10           HA       CYS  10  -2.334  -2.620  -2.190
   58   1HB   CYS  10          1HB       CYS  10  -2.230  -4.385  -0.588
   59   2HB   CYS  10          2HB       CYS  10  -3.856  -4.936  -0.968
   60    H    VAL  11           H        VAL  11  -5.859  -2.714  -2.299
   61    HA   VAL  11           HA       VAL  11  -5.811  -3.435  -5.181
   62    HB   VAL  11           HB       VAL  11  -8.093  -3.188  -3.181
   63   1HG1  VAL  11          1HG1      VAL  11  -8.101  -4.216  -6.051
   64   2HG1  VAL  11          2HG1      VAL  11  -9.431  -4.433  -4.889
   65   3HG1  VAL  11          3HG1      VAL  11  -8.989  -2.814  -5.417
   66   1HG2  VAL  11          1HG2      VAL  11  -8.185  -5.666  -3.327
   67   2HG2  VAL  11          2HG2      VAL  11  -6.751  -5.660  -4.377
   68   3HG2  VAL  11          3HG2      VAL  11  -6.632  -5.145  -2.687
   69    H    LEU  12           H        LEU  12  -5.373  -0.618  -3.350
   70    HA   LEU  12           HA       LEU  12  -7.124   1.023  -5.080
   71   1HB   LEU  12          1HB       LEU  12  -7.856   1.167  -2.939
   72   2HB   LEU  12          2HB       LEU  12  -6.232   1.193  -2.224
   73    HG   LEU  12           HG       LEU  12  -6.239   3.583  -3.518
   74   1HD1  LEU  12          1HD1      LEU  12  -8.409   4.654  -3.376
   75   2HD1  LEU  12          2HD1      LEU  12  -8.682   3.148  -4.273
   76   3HD1  LEU  12          3HD1      LEU  12  -9.127   3.234  -2.573
   77   1HD2  LEU  12          1HD2      LEU  12  -6.871   4.586  -1.439
   78   2HD2  LEU  12          2HD2      LEU  12  -7.441   3.017  -0.797
   79   3HD2  LEU  12          3HD2      LEU  12  -5.719   3.268  -1.186
   80    HA   PRO  13           HA       PRO  13  -3.349   2.752  -6.703
   81   1HB   PRO  13          1HB       PRO  13  -4.386   5.385  -7.215
   82   2HB   PRO  13          2HB       PRO  13  -4.205   4.028  -8.353
   83   1HG   PRO  13          1HG       PRO  13  -6.656   5.090  -7.208
   84   2HG   PRO  13          2HG       PRO  13  -6.468   3.769  -8.395
   85   1HD   PRO  13          1HD       PRO  13  -7.046   3.596  -5.542
   86   2HD   PRO  13          2HD       PRO  13  -7.059   2.290  -6.727
   87    H    ALA  14           H        ALA  14  -1.769   4.444  -6.285
   88    HA   ALA  14           HA       ALA  14  -1.441   5.075  -3.486
   89   1HB   ALA  14          1HB       ALA  14   0.399   4.547  -5.161
   90   2HB   ALA  14          2HB       ALA  14   0.101   6.127  -5.912
   91   3HB   ALA  14          3HB       ALA  14   0.651   6.034  -4.226
   92    H    VAL  15           H        VAL  15  -2.564   6.782  -2.518
   93    HA   VAL  15           HA       VAL  15  -3.589   8.930  -4.269
   94    HB   VAL  15           HB       VAL  15  -3.958   8.710  -1.302
   95   1HG1  VAL  15          1HG1      VAL  15  -4.467  10.929  -2.118
   96   2HG1  VAL  15          2HG1      VAL  15  -5.461  10.265  -3.442
   97   3HG1  VAL  15          3HG1      VAL  15  -5.984  10.115  -1.755
   98   1HG2  VAL  15          1HG2      VAL  15  -6.263   7.811  -1.910
   99   2HG2  VAL  15          2HG2      VAL  15  -5.693   7.632  -3.574
  100   3HG2  VAL  15          3HG2      VAL  15  -4.944   6.679  -2.272
  101    H    GLN  16           H        GLN  16  -2.629  10.661  -4.507
  102    HA   GLN  16           HA       GLN  16  -0.068  11.337  -3.179
  103   1HB   GLN  16          1HB       GLN  16  -1.415  12.733  -5.533
  104   2HB   GLN  16          2HB       GLN  16   0.253  12.921  -4.977
  105   1HG   GLN  16          1HG       GLN  16   0.584  10.429  -5.490
  106   2HG   GLN  16          2HG       GLN  16  -1.003  10.449  -6.260
  107   1HE2  GLN  16          1HE2      GLN  16   2.211  12.029  -6.347
  108   2HE2  GLN  16          2HE2      GLN  16   2.121  12.451  -8.070
  109    H    GLY  17           H        GLY  17  -3.380  12.466  -3.258
  110   1HA   GLY  17          1HA       GLY  17  -4.445  13.817  -1.771
  111   2HA   GLY  17          2HA       GLY  17  -2.899  14.336  -1.065
  112    HA   PRO  18           HA       PRO  18  -4.614  17.439  -4.188
  113   1HB   PRO  18          1HB       PRO  18  -5.693  19.398  -2.603
  114   2HB   PRO  18          2HB       PRO  18  -6.552  17.886  -3.014
  115   1HG   PRO  18          1HG       PRO  18  -4.960  18.490  -0.496
  116   2HG   PRO  18          2HG       PRO  18  -6.622  17.828  -0.626
  117   1HD   PRO  18          1HD       PRO  18  -4.469  16.192  -0.292
  118   2HD   PRO  18          2HD       PRO  18  -5.837  15.722  -1.328
  119    H    CYS  19           H        CYS  19  -2.147  17.632  -1.826
  120    HA   CYS  19           HA       CYS  19  -1.552  20.444  -2.061
  121   1HB   CYS  19          1HB       CYS  19   0.039  18.144  -0.890
  122   2HB   CYS  19          2HB       CYS  19   0.524  19.832  -0.794
  123    H    ARG  20           H        ARG  20   0.967  20.898  -2.418
  124    HA   ARG  20           HA       ARG  20   1.920  19.659  -4.916
  125   1HB   ARG  20          1HB       ARG  20   1.417  22.602  -4.495
  126   2HB   ARG  20          2HB       ARG  20   2.695  22.039  -5.554
  127   1HG   ARG  20          1HG       ARG  20   1.258  21.745  -7.215
  128   2HG   ARG  20          2HG       ARG  20   0.438  20.481  -6.332
  129   1HD   ARG  20          1HD       ARG  20  -0.199  23.448  -6.179
  130   2HD   ARG  20          2HD       ARG  20  -1.037  22.277  -7.197
  131    HE   ARG  20           HE       ARG  20  -1.683  21.058  -5.112
  132   1HH1  ARG  20          2HH2      ARG  20  -1.124  24.567  -4.988
  133   2HH1  ARG  20          1HH2      ARG  20  -2.286  24.860  -3.743
  134   1HH2  ARG  20          2HH1      ARG  20  -3.269  21.450  -3.554
  135   2HH2  ARG  20          1HH1      ARG  20  -3.541  23.010  -2.859
  136    H    GLY  21           H        GLY  21   2.549  19.829  -1.958
  137   1HA   GLY  21          1HA       GLY  21   5.466  20.520  -2.037
  138   2HA   GLY  21          2HA       GLY  21   4.521  20.139  -0.553
  139    H    TRP  22           H        TRP  22   6.881  18.460  -1.591
  140    HA   TRP  22           HA       TRP  22   5.361  16.036  -2.366
  141   1HB   TRP  22          1HB       TRP  22   8.027  16.937  -3.435
  142   2HB   TRP  22          2HB       TRP  22   7.179  15.467  -3.853
  143    HD1  TRP  22           HD       TRP  22   7.995  18.402  -5.450
  144    HE1  TRP  22           1HE      TRP  22   6.275  19.370  -7.071
  145    HE3  TRP  22           3HE      TRP  22   3.807  15.862  -3.876
  146    HZ2  TRP  22           2HZ      TRP  22   3.463  19.060  -7.664
  147    HZ3  TRP  22           3HZ      TRP  22   1.647  16.216  -4.998
  148    HH2  TRP  22           HH       TRP  22   1.455  17.789  -6.901
  149    H    GLU  23           H        GLU  23   5.315  14.887  -0.748
  150    HA   GLU  23           HA       GLU  23   7.549  14.313   1.117
  151   1HB   GLU  23          1HB       GLU  23   5.534  14.973   2.232
  152   2HB   GLU  23          2HB       GLU  23   4.528  14.017   1.157
  153   1HG   GLU  23          1HG       GLU  23   4.477  12.928   3.196
  154   2HG   GLU  23          2HG       GLU  23   5.452  11.931   2.134
  155    HA   PRO  24           HA       PRO  24   7.717  10.522  -1.583
  156   1HB   PRO  24          1HB       PRO  24   9.939   9.392  -0.508
  157   2HB   PRO  24          2HB       PRO  24  10.021  10.802  -1.607
  158   1HG   PRO  24          1HG       PRO  24  10.154  10.788   1.421
  159   2HG   PRO  24          2HG       PRO  24  11.206  11.666   0.268
  160   1HD   PRO  24          1HD       PRO  24   9.071  12.823   1.539
  161   2HD   PRO  24          2HD       PRO  24   9.571  13.313  -0.107
  162    H    ARG  25           H        ARG  25   6.475   8.827  -1.232
  163    HA   ARG  25           HA       ARG  25   6.500   7.475   1.417
  164   1HB   ARG  25          1HB       ARG  25   4.038   8.295  -0.193
  165   2HB   ARG  25          2HB       ARG  25   3.974   7.103   1.111
  166   1HG   ARG  25          1HG       ARG  25   4.899   9.975   1.434
  167   2HG   ARG  25          2HG       ARG  25   3.285   9.370   1.802
  168   1HD   ARG  25          1HD       ARG  25   4.166   7.841   3.469
  169   2HD   ARG  25          2HD       ARG  25   5.823   8.358   3.138
  170    HE   ARG  25           HE       ARG  25   5.558  10.374   4.195
  171   1HH1  ARG  25          2HH2      ARG  25   2.363   8.786   4.165
  172   2HH1  ARG  25          1HH2      ARG  25   1.665   9.911   5.271
  173   1HH2  ARG  25          2HH1      ARG  25   4.742  11.745   5.548
  174   2HH2  ARG  25          1HH1      ARG  25   3.110  11.707   6.188
  175    H    TRP  26           H        TRP  26   5.156   5.297   1.060
  176    HA   TRP  26           HA       TRP  26   6.149   4.058  -1.478
  177   1HB   TRP  26          1HB       TRP  26   5.994   3.059   1.389
  178   2HB   TRP  26          2HB       TRP  26   6.053   1.952   0.022
  179    HD1  TRP  26           HD       TRP  26   8.196   4.601   1.811
  180    HE1  TRP  26           1HE      TRP  26  10.642   4.308   1.133
  181    HE3  TRP  26           3HE      TRP  26   7.605   0.860  -1.590
  182    HZ2  TRP  26           2HZ      TRP  26  12.159   2.672  -0.778
  183    HZ3  TRP  26           3HZ      TRP  26   9.486   0.190  -3.065
  184    HH2  TRP  26           HH       TRP  26  11.770   0.941  -2.558
  185    H    ALA  27           H        ALA  27   4.615   2.719  -2.595
  186    HA   ALA  27           HA       ALA  27   2.057   2.173  -1.269
  187   1HB   ALA  27          1HB       ALA  27   2.177   3.785  -3.854
  188   2HB   ALA  27          2HB       ALA  27   0.753   2.895  -3.313
  189   3HB   ALA  27          3HB       ALA  27   1.343   4.217  -2.323
  190    H    TYR  28           H        TYR  28   0.978   0.467  -2.191
  191    HA   TYR  28           HA       TYR  28   2.683  -1.360  -3.724
  192   1HB   TYR  28          1HB       TYR  28   1.243  -2.170  -1.841
  193   2HB   TYR  28          2HB       TYR  28  -0.177  -1.658  -2.721
  194    HD1  TYR  28           1HD      TYR  28  -1.188  -3.041  -4.315
  195    HD2  TYR  28           2HD      TYR  28   2.822  -3.972  -3.050
  196    HE1  TYR  28           1HE      TYR  28  -1.326  -5.184  -5.499
  197    HE2  TYR  28           2HE      TYR  28   2.739  -6.075  -4.329
  198    HH   TYR  28           HH       TYR  28  -0.256  -7.286  -5.784
  199    H    SER  29           H        SER  29   2.380  -1.986  -5.823
  200    HA   SER  29           HA       SER  29   0.153  -0.743  -7.351
  201   1HB   SER  29          1HB       SER  29   3.093  -1.004  -7.913
  202   2HB   SER  29          2HB       SER  29   1.998  -0.827  -9.250
  203    HG   SER  29           HG       SER  29   1.532   0.772  -7.020
  204    HA   PRO  30           HA       PRO  30  -0.392  -5.228  -7.834
  205   1HB   PRO  30          1HB       PRO  30  -2.859  -5.101  -9.123
  206   2HB   PRO  30          2HB       PRO  30  -2.632  -5.160  -7.354
  207   1HG   PRO  30          1HG       PRO  30  -3.187  -2.783  -9.106
  208   2HG   PRO  30          2HG       PRO  30  -3.797  -3.126  -7.460
  209   1HD   PRO  30          1HD       PRO  30  -1.743  -1.385  -7.969
  210   2HD   PRO  30          2HD       PRO  30  -1.832  -2.343  -6.463
  211    H    LEU  31           H        LEU  31  -0.811  -2.649 -10.249
  212    HA   LEU  31           HA       LEU  31  -0.458  -4.193 -12.611
  213   1HB   LEU  31          1HB       LEU  31   0.157  -1.261 -12.027
  214   2HB   LEU  31          2HB       LEU  31   0.198  -2.026 -13.598
  215    HG   LEU  31           HG       LEU  31  -2.323  -2.772 -12.832
  216   1HD1  LEU  31          1HD1      LEU  31  -2.223  -1.417 -10.733
  217   2HD1  LEU  31          2HD1      LEU  31  -1.908   0.039 -11.702
  218   3HD1  LEU  31          3HD1      LEU  31  -3.452  -0.824 -11.850
  219   1HD2  LEU  31          1HD2      LEU  31  -1.708  -1.776 -14.977
  220   2HD2  LEU  31          2HD2      LEU  31  -3.131  -0.974 -14.301
  221   3HD2  LEU  31          3HD2      LEU  31  -1.539  -0.178 -14.219
  222    H    LEU  32           H        LEU  32   1.824  -3.400 -10.123
  223    HA   LEU  32           HA       LEU  32   4.111  -4.178 -11.870
  224   1HB   LEU  32          1HB       LEU  32   3.795  -2.353  -9.492
  225   2HB   LEU  32          2HB       LEU  32   5.359  -3.014  -9.853
  226    HG   LEU  32           HG       LEU  32   3.772  -1.436 -11.922
  227   1HD1  LEU  32          1HD1      LEU  32   5.271   0.465 -11.379
  228   2HD1  LEU  32          2HD1      LEU  32   4.203   0.035 -10.040
  229   3HD1  LEU  32          3HD1      LEU  32   5.922  -0.453 -10.003
  230   1HD2  LEU  32          1HD2      LEU  32   5.535  -2.870 -12.888
  231   2HD2  LEU  32          2HD2      LEU  32   5.996  -1.174 -13.009
  232   3HD2  LEU  32          3HD2      LEU  32   6.727  -2.204 -11.757
  233    H    GLN  33           H        GLN  33   1.935  -5.239  -9.625
  234    HA   GLN  33           HA       GLN  33   1.729  -6.635  -7.988
  235   1HB   GLN  33          1HB       GLN  33   2.283  -8.056 -10.049
  236   2HB   GLN  33          2HB       GLN  33   3.882  -8.291  -9.339
  237   1HG   GLN  33          1HG       GLN  33   1.945  -8.781  -7.277
  238   2HG   GLN  33          2HG       GLN  33   1.328  -9.567  -8.718
  239   1HE2  GLN  33          1HE2      GLN  33   4.430  -9.244  -6.897
  240   2HE2  GLN  33          2HE2      GLN  33   4.873 -10.952  -7.092
  241    H    GLN  34           H        GLN  34   3.437  -4.446  -7.304
  242    HA   GLN  34           HA       GLN  34   4.952  -5.569  -5.085
  243   1HB   GLN  34          1HB       GLN  34   6.393  -5.858  -7.307
  244   2HB   GLN  34          2HB       GLN  34   6.608  -4.105  -7.132
  245   1HG   GLN  34          1HG       GLN  34   7.723  -4.354  -5.023
  246   2HG   GLN  34          2HG       GLN  34   7.353  -6.083  -4.969
  247   1HE2  GLN  34          1HE2      GLN  34   8.174  -7.296  -7.092
  248   2HE2  GLN  34          2HE2      GLN  34   9.805  -6.868  -7.577
  249    H    CYS  35           H        CYS  35   6.141  -3.769  -3.929
  250    HA   CYS  35           HA       CYS  35   4.631  -1.222  -4.161
  251   1HB   CYS  35          1HB       CYS  35   6.502  -2.300  -2.055
  252   2HB   CYS  35          2HB       CYS  35   5.903  -0.650  -2.062
  253    H    HIS  36           H        HIS  36   5.528   0.701  -4.294
  254    HA   HIS  36           HA       HIS  36   8.428   0.956  -4.852
  255   1HB   HIS  36          1HB       HIS  36   8.195   2.095  -6.969
  256   2HB   HIS  36          2HB       HIS  36   7.478   0.500  -7.069
  257    HD1  HIS  36           1HD      HIS  36   6.405   4.221  -6.829
  258    HD2  HIS  36           2HD      HIS  36   4.809   0.379  -7.728
  259    HE1  HIS  36           1HE      HIS  36   4.058   4.580  -7.783
  260    HE2  HIS  36           2HE      HIS  36   3.122   2.187  -8.277
  261    HA   PRO  37           HA       PRO  37   7.844   4.817  -2.743
  262   1HB   PRO  37          1HB       PRO  37   9.707   6.235  -4.595
  263   2HB   PRO  37          2HB       PRO  37   9.852   5.992  -2.831
  264   1HG   PRO  37          1HG       PRO  37  11.415   4.647  -4.666
  265   2HG   PRO  37          2HG       PRO  37  10.907   3.935  -3.109
  266   1HD   PRO  37          1HD       PRO  37   9.741   3.481  -5.852
  267   2HD   PRO  37          2HD       PRO  37  10.044   2.310  -4.545
  268    H    PHE  38           H        PHE  38   6.867   7.122  -3.168
  269    HA   PHE  38           HA       PHE  38   6.332   7.799  -5.902
  270   1HB   PHE  38          1HB       PHE  38   4.025   7.618  -5.992
  271   2HB   PHE  38          2HB       PHE  38   4.503   6.078  -5.326
  272    HD1  PHE  38           1HD      PHE  38   2.385   8.933  -4.958
  273    HD2  PHE  38           2HD      PHE  38   4.323   5.834  -2.648
  274    HE1  PHE  38           1HE      PHE  38   0.675   9.154  -3.225
  275    HE2  PHE  38           2HE      PHE  38   2.578   6.095  -0.907
  276    HZ   PHE  38           HZ       PHE  38   0.738   7.719  -1.197
  277    H    VAL  39           H        VAL  39   4.970   9.861  -5.908
  278    HA   VAL  39           HA       VAL  39   6.010  11.651  -3.801
  279    HB   VAL  39           HB       VAL  39   4.985  12.026  -6.650
  280   1HG1  VAL  39          1HG1      VAL  39   5.603  14.471  -6.288
  281   2HG1  VAL  39          2HG1      VAL  39   4.126  13.923  -5.492
  282   3HG1  VAL  39          3HG1      VAL  39   5.607  14.113  -4.543
  283   1HG2  VAL  39          1HG2      VAL  39   7.682  12.602  -5.340
  284   2HG2  VAL  39          2HG2      VAL  39   7.331  11.248  -6.435
  285   3HG2  VAL  39          3HG2      VAL  39   7.261  12.907  -7.038
  286    H    TYR  40           H        TYR  40   4.652  12.081  -2.182
  287    HA   TYR  40           HA       TYR  40   1.736  12.265  -2.634
  288   1HB   TYR  40          1HB       TYR  40   2.008  10.334  -1.338
  289   2HB   TYR  40          2HB       TYR  40   3.419  10.938  -0.516
  290    HD1  TYR  40           1HD      TYR  40   3.289  11.728   1.612
  291    HD2  TYR  40           2HD      TYR  40  -0.322  11.532  -0.714
  292    HE1  TYR  40           1HE      TYR  40   1.964  12.138   3.654
  293    HE2  TYR  40           2HE      TYR  40  -1.648  12.077   1.312
  294    HH   TYR  40           HH       TYR  40  -1.418  12.883   3.573
  295    H    GLY  41           H        GLY  41   0.832  13.857  -0.940
  296   1HA   GLY  41          1HA       GLY  41   2.717  16.159  -0.748
  297   2HA   GLY  41          2HA       GLY  41   1.021  16.268  -1.135
  298    H    GLY  42           H        GLY  42   1.633  14.112   1.508
  299   1HA   GLY  42          1HA       GLY  42   1.782  14.343   3.778
  300   2HA   GLY  42          2HA       GLY  42   2.052  16.076   3.597
  301    H    CYS  43           H        CYS  43  -0.461  16.535   2.170
  302    HA   CYS  43           HA       CYS  43  -2.383  16.597   4.358
  303   1HB   CYS  43          1HB       CYS  43  -3.777  17.782   2.650
  304   2HB   CYS  43          2HB       CYS  43  -2.231  18.512   2.995
  305    H    GLU  44           H        GLU  44  -4.747  16.139   3.266
  306    HA   GLU  44           HA       GLU  44  -5.546  13.719   3.821
  307   1HB   GLU  44          1HB       GLU  44  -6.610  15.142   1.368
  308   2HB   GLU  44          2HB       GLU  44  -7.420  13.908   2.330
  309   1HG   GLU  44          1HG       GLU  44  -8.359  15.854   3.124
  310   2HG   GLU  44          2HG       GLU  44  -7.156  15.492   4.347
  311    H    GLY  45           H        GLY  45  -5.452  11.577   3.134
  312   1HA   GLY  45          1HA       GLY  45  -5.243  10.844   0.387
  313   2HA   GLY  45          2HA       GLY  45  -3.741  10.522   1.288
  314    H    ASN  46           H        ASN  46  -5.155   8.387   0.298
  315    HA   ASN  46           HA       ASN  46  -6.768   7.278   2.538
  316   1HB   ASN  46          1HB       ASN  46  -6.165   6.044  -0.138
  317   2HB   ASN  46          2HB       ASN  46  -7.309   5.429   1.040
  318   1HD2  ASN  46          1HD2      ASN  46  -8.866   5.339  -0.820
  319   2HD2  ASN  46          2HD2      ASN  46  -9.709   6.853  -1.124
  320    H    GLY  47           H        GLY  47  -6.282   4.728   2.457
  321   1HA   GLY  47          1HA       GLY  47  -3.896   4.451   3.985
  322   2HA   GLY  47          2HA       GLY  47  -5.011   3.160   3.553
  323    H    ASN  48           H        ASN  48  -4.031   4.237   0.507
  324    HA   ASN  48           HA       ASN  48  -1.819   2.229   0.569
  325   1HB   ASN  48          1HB       ASN  48  -3.484   1.958  -1.281
  326   2HB   ASN  48          2HB       ASN  48  -2.879   3.462  -1.976
  327   1HD2  ASN  48          1HD2      ASN  48  -2.403   1.544  -3.675
  328   2HD2  ASN  48          2HD2      ASN  48  -0.825   0.811  -3.592
  329    H    ASN  49           H        ASN  49  -0.869   3.733   2.017
  330    HA   ASN  49           HA       ASN  49   1.075   5.482   0.735
  331   1HB   ASN  49          1HB       ASN  49  -1.009   6.890   1.260
  332   2HB   ASN  49          2HB       ASN  49  -0.802   6.464   2.955
  333   1HD2  ASN  49          1HD2      ASN  49  -0.283   8.909   0.865
  334   2HD2  ASN  49          2HD2      ASN  49   1.095   9.661   1.601
  335    H    PHE  50           H        PHE  50   2.813   4.450   1.623
  336    HA   PHE  50           HA       PHE  50   2.643   3.323   4.373
  337   1HB   PHE  50          1HB       PHE  50   4.008   2.308   1.845
  338   2HB   PHE  50          2HB       PHE  50   4.438   1.703   3.377
  339    HD1  PHE  50           1HD      PHE  50   3.159   0.054   4.489
  340    HD2  PHE  50           2HD      PHE  50   1.512   2.043   1.038
  341    HE1  PHE  50           1HE      PHE  50   1.377  -1.652   4.355
  342    HE2  PHE  50           2HE      PHE  50  -0.339   0.396   0.981
  343    HZ   PHE  50           HZ       PHE  50  -0.434  -1.433   2.640
  344    H    HIS  51           H        HIS  51   4.632   3.104   5.421
  345    HA   HIS  51           HA       HIS  51   6.204   5.597   5.264
  346   1HB   HIS  51          1HB       HIS  51   6.213   3.321   7.310
  347   2HB   HIS  51          2HB       HIS  51   6.963   4.893   7.497
  348    HD1  HIS  51           1HD      HIS  51   5.095   7.028   7.696
  349    HD2  HIS  51           2HD      HIS  51   3.551   3.084   7.625
  350    HE1  HIS  51           1HE      HIS  51   2.534   7.162   8.158
  351    HE2  HIS  51           2HE      HIS  51   1.663   4.746   8.006
  352    H    SER  52           H        SER  52   6.566   2.250   4.325
  353    HA   SER  52           HA       SER  52   9.401   2.700   3.702
  354   1HB   SER  52          1HB       SER  52   9.982   0.599   5.087
  355   2HB   SER  52          2HB       SER  52   9.664   2.070   5.996
  356    HG   SER  52           HG       SER  52   8.568   0.147   6.829
  357    H    ARG  53           H        ARG  53  10.332   0.729   2.775
  358    HA   ARG  53           HA       ARG  53   8.658  -0.486   0.702
  359   1HB   ARG  53          1HB       ARG  53  11.028  -0.111   0.320
  360   2HB   ARG  53          2HB       ARG  53  11.443  -1.131   1.693
  361   1HG   ARG  53          1HG       ARG  53  11.751  -2.296  -0.342
  362   2HG   ARG  53          2HG       ARG  53  10.499  -3.097   0.583
  363   1HD   ARG  53          1HD       ARG  53   8.818  -2.015  -1.000
  364   2HD   ARG  53          2HD       ARG  53  10.161  -1.386  -1.916
  365    HE   ARG  53           HE       ARG  53   9.876  -4.297  -1.363
  366   1HH1  ARG  53          2HH2      ARG  53   9.567  -2.053  -4.079
  367   2HH1  ARG  53          1HH2      ARG  53  10.208  -3.212  -5.175
  368   1HH2  ARG  53          2HH1      ARG  53   9.949  -5.750  -2.966
  369   2HH2  ARG  53          1HH1      ARG  53  10.498  -5.315  -4.557
  370    H    GLU  54           H        GLU  54  10.165  -1.565   3.727
  371    HA   GLU  54           HA       GLU  54   9.365  -4.131   4.122
  372   1HB   GLU  54          1HB       GLU  54  10.825  -3.114   5.549
  373   2HB   GLU  54          2HB       GLU  54   9.963  -1.654   5.710
  374   1HG   GLU  54          1HG       GLU  54   8.811  -4.117   7.036
  375   2HG   GLU  54          2HG       GLU  54  10.289  -3.411   7.704
  376    H    SER  55           H        SER  55   7.569  -1.551   5.675
  377    HA   SER  55           HA       SER  55   5.374  -3.093   6.311
  378   1HB   SER  55          1HB       SER  55   4.051  -0.938   6.519
  379   2HB   SER  55          2HB       SER  55   5.601  -0.959   7.359
  380    HG   SER  55           HG       SER  55   6.490   0.332   5.868
  381    H    CYS  56           H        CYS  56   5.867  -1.407   3.312
  382    HA   CYS  56           HA       CYS  56   3.223  -1.835   2.238
  383   1HB   CYS  56          1HB       CYS  56   5.173  -0.132   1.620
  384   2HB   CYS  56          2HB       CYS  56   5.825  -1.447   0.684
  385    H    GLU  57           H        GLU  57   6.318  -3.493   1.850
  386    HA   GLU  57           HA       GLU  57   5.375  -5.451   0.016
  387   1HB   GLU  57          1HB       GLU  57   7.722  -5.459   1.811
  388   2HB   GLU  57          2HB       GLU  57   7.343  -6.757   0.656
  389   1HG   GLU  57          1HG       GLU  57   7.343  -3.836  -0.262
  390   2HG   GLU  57          2HG       GLU  57   8.789  -4.743  -0.016
  391    H    ASP  58           H        ASP  58   5.457  -5.252   3.617
  392    HA   ASP  58           HA       ASP  58   4.448  -7.864   4.177
  393   1HB   ASP  58          1HB       ASP  58   5.422  -6.572   5.960
  394   2HB   ASP  58          2HB       ASP  58   4.249  -5.271   5.748
  395    H    ALA  59           H        ALA  59   2.743  -4.731   3.351
  396    HA   ALA  59           HA       ALA  59   0.155  -5.960   3.702
  397   1HB   ALA  59          1HB       ALA  59  -0.743  -4.166   2.337
  398   2HB   ALA  59          2HB       ALA  59   0.483  -3.519   3.443
  399   3HB   ALA  59          3HB       ALA  59   0.867  -3.746   1.727
  400    H    CYS  60           H        CYS  60   2.105  -5.510   0.654
  401    HA   CYS  60           HA       CYS  60   1.457  -8.124  -0.295
  402   1HB   CYS  60          1HB       CYS  60   0.575  -5.632  -1.782
  403   2HB   CYS  60          2HB       CYS  60   0.715  -7.155  -2.526
  404    HA   PRO  61           HA       PRO  61   1.899  -8.771  -2.628
  405   1HB   PRO  61          1HB       PRO  61   3.712 -10.151  -4.123
  406   2HB   PRO  61          2HB       PRO  61   3.129  -8.528  -4.594
  407   1HG   PRO  61          1HG       PRO  61   5.723  -9.240  -3.177
  408   2HG   PRO  61          2HG       PRO  61   5.489  -8.122  -4.544
  409   1HD   PRO  61          1HD       PRO  61   5.596  -7.358  -1.864
  410   2HD   PRO  61          2HD       PRO  61   4.772  -6.414  -3.129
  411    H    VAL  62           H        VAL  62   1.294 -10.157  -0.943
  412    HA   VAL  62           HA       VAL  62   3.082 -12.351  -0.273
  413    HB   VAL  62           HB       VAL  62   1.508 -11.025   1.965
  414   1HG1  VAL  62          1HG1      VAL  62   3.240 -12.108   3.409
  415   2HG1  VAL  62          2HG1      VAL  62   2.335 -13.278   2.473
  416   3HG1  VAL  62          3HG1      VAL  62   3.978 -12.813   1.961
  417   1HG2  VAL  62          1HG2      VAL  62   2.918  -9.212   1.342
  418   2HG2  VAL  62          2HG2      VAL  62   3.552  -9.903   2.817
  419   3HG2  VAL  62          3HG2      VAL  62   4.363 -10.252   1.271
  420    H    VAL  63           H        VAL  63   1.422 -13.880   1.128
  421    HA   VAL  63           HA       VAL  63  -0.878 -14.354  -0.562
  422    HB   VAL  63           HB       VAL  63  -0.268 -15.420   2.209
  423   1HG1  VAL  63          1HG1      VAL  63  -1.635 -17.387   1.502
  424   2HG1  VAL  63          2HG1      VAL  63  -2.575 -15.902   1.589
  425   3HG1  VAL  63          3HG1      VAL  63  -2.054 -16.530   0.003
  426   1HG2  VAL  63          1HG2      VAL  63   1.636 -15.978   0.741
  427   2HG2  VAL  63          2HG2      VAL  63   0.686 -17.428   1.044
  428   3HG2  VAL  63          3HG2      VAL  63   0.523 -16.576  -0.506
  429    H    ASP  64           H        ASP  64  -3.069 -14.057   0.199
  430    HA   ASP  64           HA       ASP  64  -3.779 -11.514   0.736
  431   1HB   ASP  64          1HB       ASP  64  -5.321 -13.101  -0.134
  432   2HB   ASP  64          2HB       ASP  64  -5.292 -14.054   1.354
  433    H    HIS  65           H        HIS  65  -4.257 -10.180   2.385
  434    HA   HIS  65           HA       HIS  65  -2.583  -9.878   4.412
  435   1HB   HIS  65          1HB       HIS  65  -5.456  -8.956   4.256
  436   2HB   HIS  65          2HB       HIS  65  -4.348  -8.411   5.473
  437    HD1  HIS  65           1HD      HIS  65  -2.134  -8.351   2.486
  438    HD2  HIS  65           2HD      HIS  65  -5.364  -6.104   4.115
  439    HE1  HIS  65           1HE      HIS  65  -2.234  -6.183   1.235
  440    HE2  HIS  65           2HE      HIS  65  -4.219  -4.856   2.140
  441    H    HIS  66           H        HIS  66  -2.572  -9.754   6.511
  442    HA   HIS  66           HA       HIS  66  -2.509 -12.089   7.859
  443   1HB   HIS  66          1HB       HIS  66  -2.928  -9.421   9.238
  444   2HB   HIS  66          2HB       HIS  66  -1.975 -10.787   9.795
  445    HD1  HIS  66           1HD      HIS  66   0.098 -11.287   7.483
  446    HD2  HIS  66           2HD      HIS  66  -1.335  -7.455   8.628
  447    HE1  HIS  66           1HE      HIS  66   1.793  -9.540   6.629
  448    HE2  HIS  66           2HE      HIS  66   1.045  -7.317   7.386
  449    H    HIS  67           H        HIS  67  -5.292  -9.762   8.073
  450    HA   HIS  67           HA       HIS  67  -6.769 -11.998   9.320
  451   1HB   HIS  67          1HB       HIS  67  -6.140 -10.001  10.858
  452   2HB   HIS  67          2HB       HIS  67  -7.509  -9.202  10.070
  453    HD1  HIS  67           1HD      HIS  67  -9.908 -10.337  10.485
  454    HD2  HIS  67           2HD      HIS  67  -6.659 -12.563  11.895
  455    HE1  HIS  67           1HE      HIS  67 -10.873 -12.437  11.602
  456    HE2  HIS  67           2HE      HIS  67  -8.937 -13.806  12.309
  457    H    HIS  68           H        HIS  68  -6.705 -11.063   6.363
  458    HA   HIS  68           HA       HIS  68  -9.578 -10.537   5.923
  459   1HB   HIS  68          1HB       HIS  68  -7.235 -11.341   4.156
  460   2HB   HIS  68          2HB       HIS  68  -8.875 -11.333   3.539
  461    HD1  HIS  68           1HD      HIS  68  -7.207  -9.642   1.939
  462    HD2  HIS  68           2HD      HIS  68  -8.941  -8.271   5.540
  463    HE1  HIS  68           1HE      HIS  68  -7.418  -7.078   1.723
  464    HE2  HIS  68           2HE      HIS  68  -8.553  -6.253   3.920
  465    H    HIS  69           H        HIS  69  -9.186 -12.683   7.768
  466    HA   HIS  69           HA       HIS  69 -10.115 -15.096   6.440
  467   1HB   HIS  69          1HB       HIS  69  -7.673 -15.187   8.277
  468   2HB   HIS  69          2HB       HIS  69  -8.354 -16.517   7.349
  469    HD1  HIS  69           1HD      HIS  69  -8.414 -15.108   4.422
  470    HD2  HIS  69           2HD      HIS  69  -5.345 -14.561   7.267
  471    HE1  HIS  69           1HE      HIS  69  -6.357 -14.517   3.135
  472    HE2  HIS  69           2HE      HIS  69  -4.549 -13.973   4.809
  473    H    HIS  70           H        HIS  70 -10.072 -16.758   8.644
  474    HA   HIS  70           HA       HIS  70 -12.126 -15.696  10.366
  475   1HB   HIS  70          1HB       HIS  70 -11.778 -18.157   9.897
  476   2HB   HIS  70          2HB       HIS  70 -10.259 -18.073  10.803
  477    HD1  HIS  70           1HD      HIS  70 -11.773 -16.147  13.108
  478    HD2  HIS  70           2HD      HIS  70 -12.666 -20.029  11.699
  479    HE1  HIS  70           1HE      HIS  70 -13.120 -17.332  14.997
  480    HE2  HIS  70           2HE      HIS  70 -13.654 -19.707  14.111
  Start of MODEL   13
    1   1H    GLU   1          1H        GLU   1  -0.083  -6.880   5.796
    2   2H    GLU   1          2H        GLU   1   0.967  -6.326   6.956
    3   3H    GLU   1          H         GLU   1   0.582  -5.398   5.670
    4    HA   GLU   1           HA       GLU   1  -1.450  -6.272   7.557
    5   1HB   GLU   1          1HB       GLU   1   0.601  -4.443   8.151
    6   2HB   GLU   1          2HB       GLU   1  -0.767  -3.417   7.732
    7   1HG   GLU   1          1HG       GLU   1  -0.814  -5.708   9.751
    8   2HG   GLU   1          2HG       GLU   1  -0.630  -4.000  10.152
    9    H    ALA   2           H        ALA   2  -3.107  -6.461   6.338
   10    HA   ALA   2           HA       ALA   2  -4.054  -4.365   4.501
   11   1HB   ALA   2          1HB       ALA   2  -2.772  -5.941   3.086
   12   2HB   ALA   2          2HB       ALA   2  -3.687  -7.311   3.764
   13   3HB   ALA   2          3HB       ALA   2  -4.509  -6.098   2.782
   14    H    GLU   3           H        GLU   3  -4.734  -5.107   7.240
   15    HA   GLU   3           HA       GLU   3  -6.806  -6.730   7.675
   16   1HB   GLU   3          1HB       GLU   3  -6.061  -4.150   8.872
   17   2HB   GLU   3          2HB       GLU   3  -7.630  -4.777   9.312
   18   1HG   GLU   3          1HG       GLU   3  -5.175  -6.593   9.450
   19   2HG   GLU   3          2HG       GLU   3  -5.543  -5.437  10.751
   20    H    ALA   4           H        ALA   4  -7.461  -4.245   5.286
   21    HA   ALA   4           HA       ALA   4 -10.189  -3.865   6.206
   22   1HB   ALA   4          1HB       ALA   4 -10.561  -2.773   4.060
   23   2HB   ALA   4          2HB       ALA   4  -8.979  -2.262   4.698
   24   3HB   ALA   4          3HB       ALA   4  -9.076  -3.483   3.412
   25    H    GLU   5           H        GLU   5 -12.103  -4.615   5.214
   26    HA   GLU   5           HA       GLU   5 -11.972  -7.261   3.831
   27   1HB   GLU   5          1HB       GLU   5 -14.130  -5.981   5.558
   28   2HB   GLU   5          2HB       GLU   5 -14.477  -7.276   4.422
   29   1HG   GLU   5          1HG       GLU   5 -14.192  -8.425   6.394
   30   2HG   GLU   5          2HG       GLU   5 -12.667  -8.668   5.555
   31    H    PHE   6           H        PHE   6 -12.608  -3.964   3.435
   32    HA   PHE   6           HA       PHE   6 -14.238  -4.232   0.963
   33   1HB   PHE   6          1HB       PHE   6 -14.964  -2.547   2.662
   34   2HB   PHE   6          2HB       PHE   6 -13.365  -1.815   2.617
   35    HD1  PHE   6           1HD      PHE   6 -13.137   0.136   1.320
   36    HD2  PHE   6           2HD      PHE   6 -16.112  -2.787   0.191
   37    HE1  PHE   6           1HE      PHE   6 -13.840   1.574  -0.567
   38    HE2  PHE   6           2HE      PHE   6 -16.795  -1.348  -1.705
   39    HZ   PHE   6           HZ       PHE   6 -15.669   0.835  -2.091
   40    H    THR   7           H        THR   7 -13.114  -2.211  -0.469
   41    HA   THR   7           HA       THR   7 -10.808  -3.154  -1.697
   42    HB   THR   7           HB       THR   7 -11.607  -0.220  -1.512
   43    HG1  THR   7           1HG      THR   7 -13.490  -0.928  -2.072
   44   1HG2  THR   7          1HG2      THR   7 -10.912  -0.155  -3.862
   45   2HG2  THR   7          2HG2      THR   7  -9.582  -0.766  -2.859
   46   3HG2  THR   7          3HG2      THR   7 -10.555  -1.893  -3.833
   47    H    ASP   8           H        ASP   8  -9.266  -3.755  -0.165
   48    HA   ASP   8           HA       ASP   8  -8.064  -2.133   1.845
   49   1HB   ASP   8          1HB       ASP   8  -7.986  -4.628   1.703
   50   2HB   ASP   8          2HB       ASP   8  -6.867  -4.459   0.341
   51    H    ALA   9           H        ALA   9  -5.800  -1.553   1.905
   52    HA   ALA   9           HA       ALA   9  -5.141   0.544   0.082
   53   1HB   ALA   9          1HB       ALA   9  -3.466  -1.194   1.968
   54   2HB   ALA   9          2HB       ALA   9  -2.875   0.267   1.174
   55   3HB   ALA   9          3HB       ALA   9  -4.197   0.374   2.364
   56    H    CYS  10           H        CYS  10  -4.564  -2.899   0.235
   57    HA   CYS  10           HA       CYS  10  -2.485  -3.081  -1.773
   58   1HB   CYS  10          1HB       CYS  10  -2.861  -4.785  -0.091
   59   2HB   CYS  10          2HB       CYS  10  -4.465  -5.118  -0.707
   60    H    VAL  11           H        VAL  11  -5.986  -2.805  -2.007
   61    HA   VAL  11           HA       VAL  11  -6.003  -3.475  -4.889
   62    HB   VAL  11           HB       VAL  11  -8.375  -2.953  -3.060
   63   1HG1  VAL  11          1HG1      VAL  11  -9.586  -4.403  -4.677
   64   2HG1  VAL  11          2HG1      VAL  11  -8.914  -2.988  -5.477
   65   3HG1  VAL  11          3HG1      VAL  11  -8.103  -4.556  -5.647
   66   1HG2  VAL  11          1HG2      VAL  11  -7.206  -4.809  -1.990
   67   2HG2  VAL  11          2HG2      VAL  11  -8.613  -5.435  -2.832
   68   3HG2  VAL  11          3HG2      VAL  11  -6.998  -5.628  -3.552
   69    H    LEU  12           H        LEU  12  -5.444  -0.688  -2.987
   70    HA   LEU  12           HA       LEU  12  -7.135   1.030  -4.705
   71   1HB   LEU  12          1HB       LEU  12  -7.939   1.300  -2.652
   72   2HB   LEU  12          2HB       LEU  12  -6.426   0.999  -1.826
   73    HG   LEU  12           HG       LEU  12  -6.099   3.494  -3.177
   74   1HD1  LEU  12          1HD1      LEU  12  -8.738   3.439  -1.690
   75   2HD1  LEU  12          2HD1      LEU  12  -7.924   4.854  -2.432
   76   3HD1  LEU  12          3HD1      LEU  12  -8.574   3.558  -3.448
   77   1HD2  LEU  12          1HD2      LEU  12  -5.305   2.589  -0.904
   78   2HD2  LEU  12          2HD2      LEU  12  -5.582   4.296  -1.123
   79   3HD2  LEU  12          3HD2      LEU  12  -6.799   3.268  -0.266
   80    HA   PRO  13           HA       PRO  13  -3.366   2.621  -6.348
   81   1HB   PRO  13          1HB       PRO  13  -4.177   5.125  -7.258
   82   2HB   PRO  13          2HB       PRO  13  -4.444   3.575  -8.084
   83   1HG   PRO  13          1HG       PRO  13  -6.351   5.219  -6.441
   84   2HG   PRO  13          2HG       PRO  13  -6.711   4.183  -7.854
   85   1HD   PRO  13          1HD       PRO  13  -7.109   3.532  -5.157
   86   2HD   PRO  13          2HD       PRO  13  -7.045   2.326  -6.447
   87    H    ALA  14           H        ALA  14  -1.927   4.478  -6.245
   88    HA   ALA  14           HA       ALA  14  -1.359   5.215  -3.485
   89   1HB   ALA  14          1HB       ALA  14  -0.058   6.247  -6.055
   90   2HB   ALA  14          2HB       ALA  14   0.625   6.226  -4.417
   91   3HB   ALA  14          3HB       ALA  14   0.366   4.705  -5.290
   92    H    VAL  15           H        VAL  15  -2.505   6.881  -2.494
   93    HA   VAL  15           HA       VAL  15  -3.566   9.064  -4.203
   94    HB   VAL  15           HB       VAL  15  -3.926   8.812  -1.237
   95   1HG1  VAL  15          1HG1      VAL  15  -5.454  10.342  -3.381
   96   2HG1  VAL  15          2HG1      VAL  15  -5.945  10.222  -1.681
   97   3HG1  VAL  15          3HG1      VAL  15  -4.434  11.025  -2.086
   98   1HG2  VAL  15          1HG2      VAL  15  -5.693   7.714  -3.471
   99   2HG2  VAL  15          2HG2      VAL  15  -4.919   6.773  -2.177
  100   3HG2  VAL  15          3HG2      VAL  15  -6.231   7.905  -1.795
  101    H    GLN  16           H        GLN  16  -2.525  10.791  -4.392
  102    HA   GLN  16           HA       GLN  16   0.018  11.312  -2.952
  103   1HB   GLN  16          1HB       GLN  16  -1.103  12.874  -5.311
  104   2HB   GLN  16          2HB       GLN  16   0.545  12.879  -4.671
  105   1HG   GLN  16          1HG       GLN  16   0.504  10.307  -5.227
  106   2HG   GLN  16          2HG       GLN  16  -0.876  10.694  -6.243
  107   1HE2  GLN  16          1HE2      GLN  16   0.470  13.444  -6.948
  108   2HE2  GLN  16          2HE2      GLN  16   1.681  12.931  -8.114
  109    H    GLY  17           H        GLY  17  -3.241  12.539  -3.099
  110   1HA   GLY  17          1HA       GLY  17  -4.310  13.874  -1.599
  111   2HA   GLY  17          2HA       GLY  17  -2.775  14.366  -0.865
  112    HA   PRO  18           HA       PRO  18  -4.419  17.528  -3.981
  113   1HB   PRO  18          1HB       PRO  18  -5.558  19.446  -2.392
  114   2HB   PRO  18          2HB       PRO  18  -6.394  17.935  -2.853
  115   1HG   PRO  18          1HG       PRO  18  -4.866  18.499  -0.284
  116   2HG   PRO  18          2HG       PRO  18  -6.525  17.841  -0.469
  117   1HD   PRO  18          1HD       PRO  18  -4.386  16.199  -0.108
  118   2HD   PRO  18          2HD       PRO  18  -5.717  15.746  -1.195
  119    H    CYS  19           H        CYS  19  -1.991  17.634  -1.614
  120    HA   CYS  19           HA       CYS  19  -1.393  20.438  -1.611
  121   1HB   CYS  19          1HB       CYS  19   0.258  18.033  -0.783
  122   2HB   CYS  19          2HB       CYS  19   0.743  19.696  -0.510
  123    H    ARG  20           H        ARG  20   1.085  20.964  -2.003
  124    HA   ARG  20           HA       ARG  20   1.983  20.014  -4.645
  125   1HB   ARG  20          1HB       ARG  20   1.474  22.885  -3.873
  126   2HB   ARG  20          2HB       ARG  20   2.725  22.454  -5.024
  127   1HG   ARG  20          1HG       ARG  20   1.238  22.352  -6.664
  128   2HG   ARG  20          2HG       ARG  20   0.463  20.976  -5.917
  129   1HD   ARG  20          1HD       ARG  20  -0.208  23.889  -5.376
  130   2HD   ARG  20          2HD       ARG  20  -1.055  22.846  -6.520
  131    HE   ARG  20           HE       ARG  20  -1.625  21.356  -4.585
  132   1HH1  ARG  20          2HH2      ARG  20  -1.166  24.845  -4.063
  133   2HH1  ARG  20          1HH2      ARG  20  -2.322  24.956  -2.784
  134   1HH2  ARG  20          2HH1      ARG  20  -3.198  21.517  -2.984
  135   2HH2  ARG  20          1HH1      ARG  20  -3.510  22.977  -2.109
  136    H    GLY  21           H        GLY  21   2.679  19.848  -1.700
  137   1HA   GLY  21          1HA       GLY  21   5.596  20.526  -1.788
  138   2HA   GLY  21          2HA       GLY  21   4.678  20.088  -0.304
  139    H    TRP  22           H        TRP  22   6.976  18.441  -1.474
  140    HA   TRP  22           HA       TRP  22   5.434  16.062  -2.316
  141   1HB   TRP  22          1HB       TRP  22   8.057  17.012  -3.455
  142   2HB   TRP  22          2HB       TRP  22   7.180  15.578  -3.923
  143    HD1  TRP  22           HD       TRP  22   7.908  18.676  -5.313
  144    HE1  TRP  22           1HE      TRP  22   6.100  19.751  -6.757
  145    HE3  TRP  22           3HE      TRP  22   3.854  15.897  -3.809
  146    HZ2  TRP  22           2HZ      TRP  22   3.259  19.454  -7.229
  147    HZ3  TRP  22           3HZ      TRP  22   1.630  16.331  -4.757
  148    HH2  TRP  22           HH       TRP  22   1.309  18.089  -6.478
  149    H    GLU  23           H        GLU  23   5.476  14.801  -0.793
  150    HA   GLU  23           HA       GLU  23   7.750  14.282   1.042
  151   1HB   GLU  23          1HB       GLU  23   5.768  15.165   2.106
  152   2HB   GLU  23          2HB       GLU  23   4.709  14.097   1.192
  153   1HG   GLU  23          1HG       GLU  23   4.722  13.293   3.366
  154   2HG   GLU  23          2HG       GLU  23   5.606  12.143   2.382
  155    HA   PRO  24           HA       PRO  24   7.701  10.467  -1.619
  156   1HB   PRO  24          1HB       PRO  24   9.915   9.249  -0.608
  157   2HB   PRO  24          2HB       PRO  24   9.996  10.642  -1.731
  158   1HG   PRO  24          1HG       PRO  24  10.228  10.672   1.295
  159   2HG   PRO  24          2HG       PRO  24  11.287  11.479   0.094
  160   1HD   PRO  24          1HD       PRO  24   9.284  12.791   1.372
  161   2HD   PRO  24          2HD       PRO  24   9.671  13.154  -0.334
  162    H    ARG  25           H        ARG  25   6.481   8.809  -1.314
  163    HA   ARG  25           HA       ARG  25   6.513   7.336   1.264
  164   1HB   ARG  25          1HB       ARG  25   4.043   8.341  -0.218
  165   2HB   ARG  25          2HB       ARG  25   3.955   7.019   0.946
  166   1HG   ARG  25          1HG       ARG  25   4.990   9.806   1.605
  167   2HG   ARG  25          2HG       ARG  25   3.356   9.211   1.903
  168   1HD   ARG  25          1HD       ARG  25   4.177   7.459   3.358
  169   2HD   ARG  25          2HD       ARG  25   5.851   7.961   3.113
  170    HE   ARG  25           HE       ARG  25   3.761   9.371   4.640
  171   1HH1  ARG  25          2HH2      ARG  25   7.051   9.685   3.182
  172   2HH1  ARG  25          1HH2      ARG  25   7.431  11.052   4.106
  173   1HH2  ARG  25          2HH1      ARG  25   4.447  11.167   6.016
  174   2HH2  ARG  25          1HH1      ARG  25   5.943  11.927   5.623
  175    H    TRP  26           H        TRP  26   5.052   5.232   0.779
  176    HA   TRP  26           HA       TRP  26   6.076   4.060  -1.764
  177   1HB   TRP  26          1HB       TRP  26   6.044   3.022   1.095
  178   2HB   TRP  26          2HB       TRP  26   6.094   1.933  -0.286
  179    HD1  TRP  26           HD       TRP  26   8.220   4.681   1.398
  180    HE1  TRP  26           1HE      TRP  26  10.646   4.453   0.621
  181    HE3  TRP  26           3HE      TRP  26   7.616   0.853  -1.900
  182    HZ2  TRP  26           2HZ      TRP  26  12.131   2.851  -1.334
  183    HZ3  TRP  26           3HZ      TRP  26   9.462   0.216  -3.444
  184    HH2  TRP  26           HH       TRP  26  11.733   1.070  -3.058
  185    H    ALA  27           H        ALA  27   4.536   2.736  -2.870
  186    HA   ALA  27           HA       ALA  27   2.015   2.204  -1.484
  187   1HB   ALA  27          1HB       ALA  27   1.313   4.195  -2.629
  188   2HB   ALA  27          2HB       ALA  27   2.128   3.675  -4.144
  189   3HB   ALA  27          3HB       ALA  27   0.698   2.827  -3.544
  190    H    TYR  28           H        TYR  28   1.021   0.390  -2.181
  191    HA   TYR  28           HA       TYR  28   2.690  -1.480  -3.690
  192   1HB   TYR  28          1HB       TYR  28   1.396  -2.269  -1.720
  193   2HB   TYR  28          2HB       TYR  28  -0.098  -1.752  -2.477
  194    HD1  TYR  28           1HD      TYR  28  -1.344  -3.333  -3.638
  195    HD2  TYR  28           2HD      TYR  28   2.902  -3.935  -3.316
  196    HE1  TYR  28           1HE      TYR  28  -1.585  -5.481  -4.791
  197    HE2  TYR  28           2HE      TYR  28   2.700  -6.023  -4.602
  198    HH   TYR  28           HH       TYR  28  -0.422  -7.497  -5.371
  199    H    SER  29           H        SER  29   2.304  -2.220  -5.757
  200    HA   SER  29           HA       SER  29  -0.047  -1.106  -7.195
  201   1HB   SER  29          1HB       SER  29   2.860  -1.267  -7.947
  202   2HB   SER  29          2HB       SER  29   1.655  -1.107  -9.194
  203    HG   SER  29           HG       SER  29   1.266   0.448  -6.946
  204    HA   PRO  30           HA       PRO  30  -0.424  -5.624  -7.477
  205   1HB   PRO  30          1HB       PRO  30  -2.983  -5.672  -8.550
  206   2HB   PRO  30          2HB       PRO  30  -2.621  -5.592  -6.806
  207   1HG   PRO  30          1HG       PRO  30  -3.345  -3.340  -8.681
  208   2HG   PRO  30          2HG       PRO  30  -3.908  -3.620  -7.002
  209   1HD   PRO  30          1HD       PRO  30  -1.943  -1.840  -7.605
  210   2HD   PRO  30          2HD       PRO  30  -1.901  -2.792  -6.093
  211    H    LEU  31           H        LEU  31  -1.172  -3.162  -9.911
  212    HA   LEU  31           HA       LEU  31  -0.901  -4.780 -12.242
  213   1HB   LEU  31          1HB       LEU  31  -0.755  -1.828 -11.695
  214   2HB   LEU  31          2HB       LEU  31  -0.407  -2.468 -13.299
  215    HG   LEU  31           HG       LEU  31  -2.969  -3.190 -11.822
  216   1HD1  LEU  31          1HD1      LEU  31  -4.066  -1.449 -13.151
  217   2HD1  LEU  31          2HD1      LEU  31  -2.846  -0.763 -12.060
  218   3HD1  LEU  31          3HD1      LEU  31  -2.485  -0.938 -13.798
  219   1HD2  LEU  31          1HD2      LEU  31  -3.809  -3.664 -14.118
  220   2HD2  LEU  31          2HD2      LEU  31  -2.207  -3.285 -14.785
  221   3HD2  LEU  31          3HD2      LEU  31  -2.433  -4.689 -13.726
  222    H    LEU  32           H        LEU  32   1.510  -3.772  -9.983
  223    HA   LEU  32           HA       LEU  32   3.687  -4.434 -11.909
  224   1HB   LEU  32          1HB       LEU  32   3.479  -2.602  -9.526
  225   2HB   LEU  32          2HB       LEU  32   5.038  -3.180 -10.026
  226    HG   LEU  32           HG       LEU  32   3.174  -1.709 -11.934
  227   1HD1  LEU  32          1HD1      LEU  32   3.741  -0.197 -10.107
  228   2HD1  LEU  32          2HD1      LEU  32   5.472  -0.604 -10.262
  229   3HD1  LEU  32          3HD1      LEU  32   4.627   0.272 -11.559
  230   1HD2  LEU  32          1HD2      LEU  32   4.885  -3.053 -13.087
  231   2HD2  LEU  32          2HD2      LEU  32   5.254  -1.340 -13.251
  232   3HD2  LEU  32          3HD2      LEU  32   6.163  -2.333 -12.086
  233    H    GLN  33           H        GLN  33   1.763  -5.579  -9.485
  234    HA   GLN  33           HA       GLN  33   1.762  -6.935  -7.799
  235   1HB   GLN  33          1HB       GLN  33   2.189  -8.370  -9.879
  236   2HB   GLN  33          2HB       GLN  33   3.853  -8.530  -9.312
  237   1HG   GLN  33          1HG       GLN  33   2.135  -9.055  -7.071
  238   2HG   GLN  33          2HG       GLN  33   1.414  -9.887  -8.438
  239   1HE2  GLN  33          1HE2      GLN  33   4.630  -9.428  -6.867
  240   2HE2  GLN  33          2HE2      GLN  33   5.131 -11.114  -7.110
  241    H    GLN  34           H        GLN  34   3.402  -4.669  -7.301
  242    HA   GLN  34           HA       GLN  34   5.173  -5.676  -5.208
  243   1HB   GLN  34          1HB       GLN  34   6.393  -5.870  -7.576
  244   2HB   GLN  34          2HB       GLN  34   6.505  -4.105  -7.400
  245   1HG   GLN  34          1HG       GLN  34   7.807  -4.326  -5.365
  246   2HG   GLN  34          2HG       GLN  34   7.668  -6.085  -5.435
  247   1HE2  GLN  34          1HE2      GLN  34   8.148  -6.530  -8.245
  248   2HE2  GLN  34          2HE2      GLN  34   9.801  -6.034  -8.565
  249    H    CYS  35           H        CYS  35   6.285  -3.818  -4.163
  250    HA   CYS  35           HA       CYS  35   4.632  -1.342  -4.296
  251   1HB   CYS  35          1HB       CYS  35   6.679  -2.348  -2.326
  252   2HB   CYS  35          2HB       CYS  35   6.031  -0.716  -2.279
  253    H    HIS  36           H        HIS  36   5.449   0.624  -4.479
  254    HA   HIS  36           HA       HIS  36   8.297   0.972  -5.270
  255   1HB   HIS  36          1HB       HIS  36   7.794   2.187  -7.310
  256   2HB   HIS  36          2HB       HIS  36   7.122   0.571  -7.390
  257    HD1  HIS  36           1HD      HIS  36   5.946   4.228  -6.811
  258    HD2  HIS  36           2HD      HIS  36   4.424   0.382  -7.851
  259    HE1  HIS  36           1HE      HIS  36   3.486   4.530  -7.483
  260    HE2  HIS  36           2HE      HIS  36   2.621   2.126  -8.088
  261    HA   PRO  37           HA       PRO  37   7.757   4.755  -2.962
  262   1HB   PRO  37          1HB       PRO  37   9.593   6.368  -4.501
  263   2HB   PRO  37          2HB       PRO  37   9.874   5.583  -2.925
  264   1HG   PRO  37          1HG       PRO  37  11.052   4.846  -5.420
  265   2HG   PRO  37          2HG       PRO  37  11.105   3.932  -3.889
  266   1HD   PRO  37          1HD       PRO  37   9.421   3.473  -6.287
  267   2HD   PRO  37          2HD       PRO  37   9.926   2.334  -5.014
  268    H    PHE  38           H        PHE  38   6.896   7.126  -3.351
  269    HA   PHE  38           HA       PHE  38   6.276   7.840  -6.048
  270   1HB   PHE  38          1HB       PHE  38   3.963   7.678  -6.090
  271   2HB   PHE  38          2HB       PHE  38   4.449   6.117  -5.485
  272    HD1  PHE  38           1HD      PHE  38   4.293   5.736  -2.869
  273    HD2  PHE  38           2HD      PHE  38   2.394   8.996  -4.957
  274    HE1  PHE  38           1HE      PHE  38   2.600   5.960  -1.046
  275    HE2  PHE  38           2HE      PHE  38   0.752   9.201  -3.140
  276    HZ   PHE  38           HZ       PHE  38   0.827   7.666  -1.189
  277    H    VAL  39           H        VAL  39   4.849   9.909  -5.950
  278    HA   VAL  39           HA       VAL  39   6.040  11.657  -3.896
  279    HB   VAL  39           HB       VAL  39   4.753  12.119  -6.628
  280   1HG1  VAL  39          1HG1      VAL  39   4.090  13.995  -5.304
  281   2HG1  VAL  39          2HG1      VAL  39   5.683  14.118  -4.541
  282   3HG1  VAL  39          3HG1      VAL  39   5.473  14.535  -6.260
  283   1HG2  VAL  39          1HG2      VAL  39   7.083  11.280  -6.707
  284   2HG2  VAL  39          2HG2      VAL  39   7.000  12.964  -7.229
  285   3HG2  VAL  39          3HG2      VAL  39   7.593  12.574  -5.601
  286    H    TYR  40           H        TYR  40   4.787  12.051  -2.151
  287    HA   TYR  40           HA       TYR  40   1.851  12.205  -2.456
  288   1HB   TYR  40          1HB       TYR  40   2.181  10.250  -1.235
  289   2HB   TYR  40          2HB       TYR  40   3.619  10.829  -0.448
  290    HD1  TYR  40           1HD      TYR  40   3.580  11.701   1.673
  291    HD2  TYR  40           2HD      TYR  40  -0.126  11.317  -0.484
  292    HE1  TYR  40           1HE      TYR  40   2.337  12.068   3.775
  293    HE2  TYR  40           2HE      TYR  40  -1.382  11.802   1.594
  294    HH   TYR  40           HH       TYR  40  -1.104  12.655   3.822
  295    H    GLY  41           H        GLY  41   1.017  13.745  -0.662
  296   1HA   GLY  41          1HA       GLY  41   2.873  16.089  -0.546
  297   2HA   GLY  41          2HA       GLY  41   1.160  16.154  -0.880
  298    H    GLY  42           H        GLY  42   1.750  13.998   1.732
  299   1HA   GLY  42          1HA       GLY  42   1.948  14.252   4.015
  300   2HA   GLY  42          2HA       GLY  42   2.154  15.995   3.825
  301    H    CYS  43           H        CYS  43  -0.354  16.310   2.334
  302    HA   CYS  43           HA       CYS  43  -2.324  16.357   4.475
  303   1HB   CYS  43          1HB       CYS  43  -3.752  17.318   2.578
  304   2HB   CYS  43          2HB       CYS  43  -2.362  18.225   3.105
  305    H    GLU  44           H        GLU  44  -4.616  15.772   3.397
  306    HA   GLU  44           HA       GLU  44  -5.382  13.336   3.931
  307   1HB   GLU  44          1HB       GLU  44  -6.426  14.759   1.472
  308   2HB   GLU  44          2HB       GLU  44  -7.239  13.521   2.425
  309   1HG   GLU  44          1HG       GLU  44  -8.199  15.460   3.210
  310   2HG   GLU  44          2HG       GLU  44  -7.003  15.110   4.445
  311    H    GLY  45           H        GLY  45  -5.281  11.220   3.223
  312   1HA   GLY  45          1HA       GLY  45  -4.909  10.531   0.460
  313   2HA   GLY  45          2HA       GLY  45  -3.547  10.071   1.512
  314    H    ASN  46           H        ASN  46  -5.140   8.103   0.298
  315    HA   ASN  46           HA       ASN  46  -6.922   7.099   2.459
  316   1HB   ASN  46          1HB       ASN  46  -6.488   5.985  -0.312
  317   2HB   ASN  46          2HB       ASN  46  -7.596   5.337   0.879
  318   1HD2  ASN  46          1HD2      ASN  46  -9.295   5.492  -0.772
  319   2HD2  ASN  46          2HD2      ASN  46 -10.027   7.082  -0.964
  320    H    GLY  47           H        GLY  47  -6.616   4.456   2.162
  321   1HA   GLY  47          1HA       GLY  47  -4.609   3.854   3.995
  322   2HA   GLY  47          2HA       GLY  47  -5.481   2.663   3.036
  323    H    ASN  48           H        ASN  48  -4.242   3.711   0.415
  324    HA   ASN  48           HA       ASN  48  -1.810   2.084   0.713
  325   1HB   ASN  48          1HB       ASN  48  -3.342   1.784  -1.249
  326   2HB   ASN  48          2HB       ASN  48  -2.782   3.346  -1.860
  327   1HD2  ASN  48          1HD2      ASN  48  -2.369   1.287  -3.469
  328   2HD2  ASN  48          2HD2      ASN  48  -0.752   0.648  -3.472
  329    H    ASN  49           H        ASN  49  -1.034   3.664   2.253
  330    HA   ASN  49           HA       ASN  49   0.926   5.405   0.888
  331   1HB   ASN  49          1HB       ASN  49  -0.978   6.875   1.654
  332   2HB   ASN  49          2HB       ASN  49  -0.774   6.266   3.289
  333   1HD2  ASN  49          1HD2      ASN  49   0.041   8.753   1.213
  334   2HD2  ASN  49          2HD2      ASN  49   1.356   9.431   2.109
  335    H    PHE  50           H        PHE  50   2.661   4.234   1.441
  336    HA   PHE  50           HA       PHE  50   2.852   3.111   4.166
  337   1HB   PHE  50          1HB       PHE  50   4.077   2.127   1.590
  338   2HB   PHE  50          2HB       PHE  50   4.494   1.507   3.126
  339    HD1  PHE  50           1HD      PHE  50   2.750   0.492   4.669
  340    HD2  PHE  50           2HD      PHE  50   1.854   1.494   0.570
  341    HE1  PHE  50           1HE      PHE  50   0.673  -0.852   4.790
  342    HE2  PHE  50           2HE      PHE  50  -0.204   0.104   0.703
  343    HZ   PHE  50           HZ       PHE  50  -0.817  -1.015   2.820
  344    H    HIS  51           H        HIS  51   4.840   3.015   5.073
  345    HA   HIS  51           HA       HIS  51   6.127   5.664   4.867
  346   1HB   HIS  51          1HB       HIS  51   6.141   3.580   7.074
  347   2HB   HIS  51          2HB       HIS  51   6.658   5.249   7.154
  348    HD1  HIS  51           1HD      HIS  51   4.303   6.910   6.076
  349    HD2  HIS  51           2HD      HIS  51   3.699   2.995   7.475
  350    HE1  HIS  51           1HE      HIS  51   1.781   6.440   5.886
  351    HE2  HIS  51           2HE      HIS  51   1.409   4.100   6.797
  352    H    SER  52           H        SER  52   6.670   2.511   4.015
  353    HA   SER  52           HA       SER  52   9.496   2.927   3.348
  354   1HB   SER  52          1HB       SER  52  10.087   0.846   4.786
  355   2HB   SER  52          2HB       SER  52   9.847   2.366   5.631
  356    HG   SER  52           HG       SER  52   8.745   0.562   6.625
  357    H    ARG  53           H        ARG  53  10.386   0.904   2.437
  358    HA   ARG  53           HA       ARG  53   8.648  -0.357   0.446
  359   1HB   ARG  53          1HB       ARG  53  11.011  -0.046   0.010
  360   2HB   ARG  53          2HB       ARG  53  11.427  -1.045   1.406
  361   1HG   ARG  53          1HG       ARG  53  11.669  -2.312  -0.544
  362   2HG   ARG  53          2HG       ARG  53  10.331  -3.002   0.344
  363   1HD   ARG  53          1HD       ARG  53   8.800  -1.807  -1.327
  364   2HD   ARG  53          2HD       ARG  53  10.237  -1.317  -2.191
  365    HE   ARG  53           HE       ARG  53   9.678  -4.194  -1.623
  366   1HH1  ARG  53          2HH2      ARG  53   9.709  -1.936  -4.345
  367   2HH1  ARG  53          1HH2      ARG  53  10.302  -3.158  -5.411
  368   1HH2  ARG  53          2HH1      ARG  53   9.861  -5.671  -3.133
  369   2HH2  ARG  53          1HH1      ARG  53  10.407  -5.296  -4.759
  370    H    GLU  54           H        GLU  54  10.113  -1.295   3.525
  371    HA   GLU  54           HA       GLU  54   9.258  -3.835   4.054
  372   1HB   GLU  54          1HB       GLU  54  10.778  -2.775   5.396
  373   2HB   GLU  54          2HB       GLU  54   9.953  -1.288   5.485
  374   1HG   GLU  54          1HG       GLU  54   8.705  -3.575   6.988
  375   2HG   GLU  54          2HG       GLU  54  10.277  -2.990   7.557
  376    H    SER  55           H        SER  55   7.565  -1.125   5.524
  377    HA   SER  55           HA       SER  55   5.337  -2.585   6.203
  378   1HB   SER  55          1HB       SER  55   4.028  -0.389   6.300
  379   2HB   SER  55          2HB       SER  55   5.509  -0.476   7.232
  380    HG   SER  55           HG       SER  55   6.571   0.737   5.741
  381    H    CYS  56           H        CYS  56   5.836  -1.018   3.141
  382    HA   CYS  56           HA       CYS  56   3.191  -1.468   2.101
  383   1HB   CYS  56          1HB       CYS  56   5.168   0.106   1.299
  384   2HB   CYS  56          2HB       CYS  56   5.853  -1.315   0.570
  385    H    GLU  57           H        GLU  57   6.240  -3.261   1.725
  386    HA   GLU  57           HA       GLU  57   5.062  -5.243   0.071
  387   1HB   GLU  57          1HB       GLU  57   7.588  -5.376   1.626
  388   2HB   GLU  57          2HB       GLU  57   7.035  -6.609   0.470
  389   1HG   GLU  57          1HG       GLU  57   6.824  -3.815  -0.595
  390   2HG   GLU  57          2HG       GLU  57   8.401  -4.275  -0.101
  391    H    ASP  58           H        ASP  58   5.358  -4.838   3.580
  392    HA   ASP  58           HA       ASP  58   4.380  -7.348   4.452
  393   1HB   ASP  58          1HB       ASP  58   5.440  -5.494   5.864
  394   2HB   ASP  58          2HB       ASP  58   3.869  -4.685   5.840
  395    H    ALA  59           H        ALA  59   2.635  -4.295   3.357
  396    HA   ALA  59           HA       ALA  59   0.025  -5.462   3.857
  397   1HB   ALA  59          1HB       ALA  59   0.369  -3.067   3.473
  398   2HB   ALA  59          2HB       ALA  59   0.754  -3.386   1.763
  399   3HB   ALA  59          3HB       ALA  59  -0.854  -3.773   2.401
  400    H    CYS  60           H        CYS  60   1.838  -5.196   0.741
  401    HA   CYS  60           HA       CYS  60   1.350  -7.908  -0.012
  402   1HB   CYS  60          1HB       CYS  60   0.137  -5.580  -1.569
  403   2HB   CYS  60          2HB       CYS  60   0.382  -7.123  -2.246
  404    HA   PRO  61           HA       PRO  61   1.778  -8.477  -2.672
  405   1HB   PRO  61          1HB       PRO  61   3.777  -9.761  -4.080
  406   2HB   PRO  61          2HB       PRO  61   3.168  -8.163  -4.571
  407   1HG   PRO  61          1HG       PRO  61   5.572  -8.780  -2.802
  408   2HG   PRO  61          2HG       PRO  61   5.537  -7.740  -4.259
  409   1HD   PRO  61          1HD       PRO  61   5.275  -6.750  -1.713
  410   2HD   PRO  61          2HD       PRO  61   4.432  -6.007  -3.095
  411    H    VAL  62           H        VAL  62   3.374  -8.645   0.026
  412    HA   VAL  62           HA       VAL  62   4.000 -11.562  -0.013
  413    HB   VAL  62           HB       VAL  62   4.396  -9.570   2.236
  414   1HG1  VAL  62          1HG1      VAL  62   6.291 -11.123   2.882
  415   2HG1  VAL  62          2HG1      VAL  62   4.691 -11.799   3.081
  416   3HG1  VAL  62          3HG1      VAL  62   5.683 -12.270   1.670
  417   1HG2  VAL  62          1HG2      VAL  62   5.696  -8.723   0.269
  418   2HG2  VAL  62          2HG2      VAL  62   6.786  -9.348   1.488
  419   3HG2  VAL  62          3HG2      VAL  62   6.415 -10.327   0.047
  420    H    VAL  63           H        VAL  63   3.253 -12.588   2.209
  421    HA   VAL  63           HA       VAL  63   0.352 -12.532   1.926
  422    HB   VAL  63           HB       VAL  63   1.707 -14.089   4.091
  423   1HG1  VAL  63          1HG1      VAL  63  -0.731 -14.104   4.007
  424   2HG1  VAL  63          2HG1      VAL  63  -0.691 -14.690   2.327
  425   3HG1  VAL  63          3HG1      VAL  63  -0.090 -15.711   3.653
  426   1HG2  VAL  63          1HG2      VAL  63   2.011 -16.027   2.503
  427   2HG2  VAL  63          2HG2      VAL  63   1.647 -14.932   1.151
  428   3HG2  VAL  63          3HG2      VAL  63   3.100 -14.687   2.148
  429    H    ASP  64           H        ASP  64  -0.982 -11.655   3.226
  430    HA   ASP  64           HA       ASP  64  -0.213  -9.571   5.067
  431   1HB   ASP  64          1HB       ASP  64  -2.164  -9.271   3.676
  432   2HB   ASP  64          2HB       ASP  64  -2.924 -10.727   4.339
  433    H    HIS  65           H        HIS  65  -1.412  -9.506   7.344
  434    HA   HIS  65           HA       HIS  65  -0.904 -11.938   8.772
  435   1HB   HIS  65          1HB       HIS  65  -0.366  -9.043   9.497
  436   2HB   HIS  65          2HB       HIS  65   0.037 -10.437  10.468
  437    HD1  HIS  65           1HD      HIS  65   1.149 -11.726   7.296
  438    HD2  HIS  65           2HD      HIS  65   2.233  -8.275   9.491
  439    HE1  HIS  65           1HE      HIS  65   3.369 -10.910   6.387
  440    HE2  HIS  65           2HE      HIS  65   3.984  -8.810   7.745
  441    H    HIS  66           H        HIS  66  -3.506 -10.497   7.705
  442    HA   HIS  66           HA       HIS  66  -5.084  -9.256   9.206
  443   1HB   HIS  66          1HB       HIS  66  -5.488 -11.368   7.320
  444   2HB   HIS  66          2HB       HIS  66  -6.620 -11.663   8.607
  445    HD1  HIS  66           1HD      HIS  66  -5.820  -9.101   5.895
  446    HD2  HIS  66           2HD      HIS  66  -8.702  -9.897   8.866
  447    HE1  HIS  66           1HE      HIS  66  -7.999  -7.836   5.204
  448    HE2  HIS  66           2HE      HIS  66  -9.691  -8.210   7.101
  449    H    HIS  67           H        HIS  67  -5.665  -9.125  11.236
  450    HA   HIS  67           HA       HIS  67  -6.228 -11.405  13.010
  451   1HB   HIS  67          1HB       HIS  67  -4.306  -9.136  13.717
  452   2HB   HIS  67          2HB       HIS  67  -5.171 -10.082  14.921
  453    HD1  HIS  67           1HD      HIS  67  -4.004 -12.292  12.134
  454    HD2  HIS  67           2HD      HIS  67  -2.444 -10.540  15.646
  455    HE1  HIS  67           1HE      HIS  67  -1.893 -13.622  12.723
  456    HE2  HIS  67           2HE      HIS  67  -0.926 -12.538  14.869
  457    H    HIS  68           H        HIS  68  -8.141 -10.718  12.016
  458    HA   HIS  68           HA       HIS  68  -9.335  -8.522  11.541
  459   1HB   HIS  68          1HB       HIS  68 -10.367 -10.814  11.441
  460   2HB   HIS  68          2HB       HIS  68 -10.905 -10.584  13.112
  461    HD1  HIS  68           1HD      HIS  68 -12.678  -8.370  13.443
  462    HD2  HIS  68           2HD      HIS  68 -11.514  -9.339   9.496
  463    HE1  HIS  68           1HE      HIS  68 -14.198  -7.080  11.915
  464    HE2  HIS  68           2HE      HIS  68 -13.394  -7.611   9.478
  465    H    HIS  69           H        HIS  69  -9.296  -6.698  12.370
  466    HA   HIS  69           HA       HIS  69  -9.392  -5.590  14.829
  467   1HB   HIS  69          1HB       HIS  69 -10.586  -3.627  13.617
  468   2HB   HIS  69          2HB       HIS  69  -9.087  -4.214  12.922
  469    HD1  HIS  69           1HD      HIS  69  -9.215  -5.527  10.586
  470    HD2  HIS  69           2HD      HIS  69 -12.890  -4.032  12.078
  471    HE1  HIS  69           1HE      HIS  69 -10.945  -5.761   8.703
  472    HE2  HIS  69           2HE      HIS  69 -13.118  -4.906   9.544
  473    H    HIS  70           H        HIS  70 -11.297  -4.155  15.707
  474    HA   HIS  70           HA       HIS  70 -13.383  -5.914  16.692
  475   1HB   HIS  70          1HB       HIS  70 -12.546  -3.881  17.939
  476   2HB   HIS  70          2HB       HIS  70 -13.233  -2.862  16.664
  477    HD1  HIS  70           1HD      HIS  70 -15.975  -4.757  16.579
  478    HD2  HIS  70           2HD      HIS  70 -14.165  -2.675  19.777
  479    HE1  HIS  70           1HE      HIS  70 -17.861  -4.283  18.310
  480    HE2  HIS  70           2HE      HIS  70 -16.726  -3.011  20.267
  Start of MODEL   14
    1   1H    GLU   1          1H        GLU   1  -0.788   2.958   5.498
    2   2H    GLU   1          2H        GLU   1  -2.368   2.582   5.848
    3   3H    GLU   1          H         GLU   1  -1.862   2.555   4.288
    4    HA   GLU   1           HA       GLU   1  -0.512   0.701   4.655
    5   1HB   GLU   1          1HB       GLU   1  -1.257   1.231   7.544
    6   2HB   GLU   1          2HB       GLU   1  -0.845  -0.399   7.021
    7   1HG   GLU   1          1HG       GLU   1   1.068   0.695   8.026
    8   2HG   GLU   1          2HG       GLU   1   1.361   0.221   6.367
    9    H    ALA   2           H        ALA   2  -1.652  -1.636   5.425
   10    HA   ALA   2           HA       ALA   2  -4.504  -1.463   5.482
   11   1HB   ALA   2          1HB       ALA   2  -4.846  -3.222   3.755
   12   2HB   ALA   2          2HB       ALA   2  -4.242  -1.703   3.069
   13   3HB   ALA   2          3HB       ALA   2  -3.135  -3.089   3.281
   14    H    GLU   3           H        GLU   3  -5.167  -3.011   6.855
   15    HA   GLU   3           HA       GLU   3  -3.269  -5.120   7.780
   16   1HB   GLU   3          1HB       GLU   3  -5.228  -3.679   9.600
   17   2HB   GLU   3          2HB       GLU   3  -3.763  -4.543   9.987
   18   1HG   GLU   3          1HG       GLU   3  -3.401  -2.215  10.400
   19   2HG   GLU   3          2HG       GLU   3  -2.425  -2.669   9.002
   20    H    ALA   4           H        ALA   4  -6.667  -4.067   7.985
   21    HA   ALA   4           HA       ALA   4  -7.591  -6.887   8.006
   22   1HB   ALA   4          1HB       ALA   4  -9.418  -6.112   9.448
   23   2HB   ALA   4          2HB       ALA   4  -7.848  -5.699  10.158
   24   3HB   ALA   4          3HB       ALA   4  -8.810  -4.444   9.345
   25    H    GLU   5           H        GLU   5 -10.115  -6.751   7.508
   26    HA   GLU   5           HA       GLU   5 -10.890  -6.456   5.007
   27   1HB   GLU   5          1HB       GLU   5 -12.381  -6.166   7.602
   28   2HB   GLU   5          2HB       GLU   5 -13.244  -5.964   6.091
   29   1HG   GLU   5          1HG       GLU   5 -13.493  -8.224   6.947
   30   2HG   GLU   5          2HG       GLU   5 -12.747  -8.180   5.358
   31    H    PHE   6           H        PHE   6 -10.121  -3.755   6.753
   32    HA   PHE   6           HA       PHE   6 -11.675  -1.551   5.919
   33   1HB   PHE   6          1HB       PHE   6 -10.157  -1.756   7.875
   34   2HB   PHE   6          2HB       PHE   6  -8.785  -1.913   6.794
   35    HD1  PHE   6           1HD      PHE   6 -11.684   0.533   7.064
   36    HD2  PHE   6           2HD      PHE   6  -7.397  -0.045   6.926
   37    HE1  PHE   6           1HE      PHE   6 -11.343   2.986   7.061
   38    HE2  PHE   6           2HE      PHE   6  -7.072   2.392   6.926
   39    HZ   PHE   6           HZ       PHE   6  -9.040   3.929   6.987
   40    H    THR   7           H        THR   7  -9.805   0.186   4.969
   41    HA   THR   7           HA       THR   7 -10.050   0.160   2.177
   42    HB   THR   7           HB       THR   7  -8.058   1.656   3.947
   43    HG1  THR   7           1HG      THR   7  -9.828   2.337   4.815
   44   1HG2  THR   7          1HG2      THR   7  -8.386   3.476   2.267
   45   2HG2  THR   7          2HG2      THR   7  -7.595   2.034   1.590
   46   3HG2  THR   7          3HG2      THR   7  -9.315   2.353   1.255
   47    H    ASP   8           H        ASP   8  -9.294  -1.809   1.359
   48    HA   ASP   8           HA       ASP   8  -6.739  -2.906   1.941
   49   1HB   ASP   8          1HB       ASP   8  -8.544  -4.279   1.405
   50   2HB   ASP   8          2HB       ASP   8  -8.797  -3.506  -0.184
   51    H    ALA   9           H        ALA   9  -5.243  -1.440   1.574
   52    HA   ALA   9           HA       ALA   9  -4.632   0.160  -0.508
   53   1HB   ALA   9          1HB       ALA   9  -3.282   0.017   1.552
   54   2HB   ALA   9          2HB       ALA   9  -2.692  -1.592   1.071
   55   3HB   ALA   9          3HB       ALA   9  -2.250  -0.177   0.112
   56    H    CYS  10           H        CYS  10  -4.220  -3.372  -0.520
   57    HA   CYS  10           HA       CYS  10  -2.289  -3.476  -2.635
   58   1HB   CYS  10          1HB       CYS  10  -2.735  -5.189  -0.889
   59   2HB   CYS  10          2HB       CYS  10  -4.258  -5.579  -1.692
   60    H    VAL  11           H        VAL  11  -5.828  -3.201  -2.541
   61    HA   VAL  11           HA       VAL  11  -6.024  -3.725  -5.460
   62    HB   VAL  11           HB       VAL  11  -8.119  -3.578  -3.254
   63   1HG1  VAL  11          1HG1      VAL  11  -8.439  -4.348  -6.188
   64   2HG1  VAL  11          2HG1      VAL  11  -9.658  -4.641  -4.924
   65   3HG1  VAL  11          3HG1      VAL  11  -9.222  -2.992  -5.349
   66   1HG2  VAL  11          1HG2      VAL  11  -6.701  -5.611  -3.071
   67   2HG2  VAL  11          2HG2      VAL  11  -8.323  -6.025  -3.594
   68   3HG2  VAL  11          3HG2      VAL  11  -7.000  -5.978  -4.782
   69    H    LEU  12           H        LEU  12  -5.334  -0.986  -3.530
   70    HA   LEU  12           HA       LEU  12  -7.308   0.671  -4.984
   71   1HB   LEU  12          1HB       LEU  12  -7.806   0.699  -2.790
   72   2HB   LEU  12          2HB       LEU  12  -6.110   0.830  -2.259
   73    HG   LEU  12           HG       LEU  12  -6.488   3.254  -3.438
   74   1HD1  LEU  12          1HD1      LEU  12  -9.243   2.611  -2.291
   75   2HD1  LEU  12          2HD1      LEU  12  -8.734   4.065  -3.191
   76   3HD1  LEU  12          3HD1      LEU  12  -8.929   2.516  -4.020
   77   1HD2  LEU  12          1HD2      LEU  12  -5.754   3.112  -1.231
   78   2HD2  LEU  12          2HD2      LEU  12  -7.337   3.906  -1.097
   79   3HD2  LEU  12          3HD2      LEU  12  -7.192   2.200  -0.694
   80    HA   PRO  13           HA       PRO  13  -3.937   2.819  -7.003
   81   1HB   PRO  13          1HB       PRO  13  -5.624   5.279  -6.568
   82   2HB   PRO  13          2HB       PRO  13  -4.913   4.669  -8.089
   83   1HG   PRO  13          1HG       PRO  13  -7.585   4.408  -7.527
   84   2HG   PRO  13          2HG       PRO  13  -6.675   3.127  -8.392
   85   1HD   PRO  13          1HD       PRO  13  -7.517   3.161  -5.482
   86   2HD   PRO  13          2HD       PRO  13  -7.439   1.822  -6.638
   87    H    ALA  14           H        ALA  14  -2.337   4.543  -6.508
   88    HA   ALA  14           HA       ALA  14  -1.867   4.947  -3.649
   89   1HB   ALA  14          1HB       ALA  14  -0.509   6.220  -6.083
   90   2HB   ALA  14          2HB       ALA  14   0.115   6.170  -4.422
   91   3HB   ALA  14          3HB       ALA  14  -0.022   4.670  -5.365
   92    H    VAL  15           H        VAL  15  -1.955   7.110  -2.614
   93    HA   VAL  15           HA       VAL  15  -3.359   9.197  -4.205
   94    HB   VAL  15           HB       VAL  15  -3.971   8.584  -1.319
   95   1HG1  VAL  15          1HG1      VAL  15  -4.196  10.976  -1.752
   96   2HG1  VAL  15          2HG1      VAL  15  -5.157  10.652  -3.221
   97   3HG1  VAL  15          3HG1      VAL  15  -5.794  10.267  -1.611
   98   1HG2  VAL  15          1HG2      VAL  15  -6.282   8.077  -2.221
   99   2HG2  VAL  15          2HG2      VAL  15  -5.607   8.147  -3.855
  100   3HG2  VAL  15          3HG2      VAL  15  -5.055   6.894  -2.718
  101    H    GLN  16           H        GLN  16  -2.532  11.021  -4.106
  102    HA   GLN  16           HA       GLN  16   0.059  11.470  -2.740
  103   1HB   GLN  16          1HB       GLN  16  -1.210  13.073  -4.998
  104   2HB   GLN  16          2HB       GLN  16   0.469  13.116  -4.455
  105   1HG   GLN  16          1HG       GLN  16   0.716  10.722  -5.234
  106   2HG   GLN  16          2HG       GLN  16  -0.930  10.790  -5.865
  107   1HE2  GLN  16          1HE2      GLN  16   2.299  12.304  -6.166
  108   2HE2  GLN  16          2HE2      GLN  16   2.022  12.892  -7.818
  109    H    GLY  17           H        GLY  17  -3.226  12.669  -2.916
  110   1HA   GLY  17          1HA       GLY  17  -4.377  14.038  -1.548
  111   2HA   GLY  17          2HA       GLY  17  -2.895  14.589  -0.742
  112    HA   PRO  18           HA       PRO  18  -4.357  17.523  -4.186
  113   1HB   PRO  18          1HB       PRO  18  -5.560  19.571  -2.816
  114   2HB   PRO  18          2HB       PRO  18  -6.383  18.038  -3.224
  115   1HG   PRO  18          1HG       PRO  18  -5.023  18.773  -0.609
  116   2HG   PRO  18          2HG       PRO  18  -6.669  18.108  -0.860
  117   1HD   PRO  18          1HD       PRO  18  -4.551  16.513  -0.231
  118   2HD   PRO  18          2HD       PRO  18  -5.815  15.947  -1.334
  119    H    CYS  19           H        CYS  19  -2.040  17.766  -1.761
  120    HA   CYS  19           HA       CYS  19  -1.378  20.545  -1.816
  121   1HB   CYS  19          1HB       CYS  19   0.302  18.141  -1.021
  122   2HB   CYS  19          2HB       CYS  19   0.675  19.810  -0.627
  123    H    ARG  20           H        ARG  20   1.116  21.023  -2.203
  124    HA   ARG  20           HA       ARG  20   2.068  19.945  -4.772
  125   1HB   ARG  20          1HB       ARG  20   1.539  22.851  -4.181
  126   2HB   ARG  20          2HB       ARG  20   2.827  22.367  -5.267
  127   1HG   ARG  20          1HG       ARG  20   1.408  22.134  -6.949
  128   2HG   ARG  20          2HG       ARG  20   0.559  20.848  -6.130
  129   1HD   ARG  20          1HD       ARG  20  -0.027  23.806  -5.775
  130   2HD   ARG  20          2HD       ARG  20  -0.841  22.763  -6.946
  131    HE   ARG  20           HE       ARG  20  -1.494  21.336  -4.920
  132   1HH1  ARG  20          2HH2      ARG  20  -1.299  24.884  -4.840
  133   2HH1  ARG  20          1HH2      ARG  20  -2.594  25.084  -3.714
  134   1HH2  ARG  20          2HH1      ARG  20  -3.237  21.593  -3.512
  135   2HH2  ARG  20          1HH1      ARG  20  -3.731  23.129  -2.890
  136    H    GLY  21           H        GLY  21   2.702  19.959  -1.798
  137   1HA   GLY  21          1HA       GLY  21   5.613  20.671  -1.856
  138   2HA   GLY  21          2HA       GLY  21   4.677  20.219  -0.389
  139    H    TRP  22           H        TRP  22   7.055  18.618  -1.456
  140    HA   TRP  22           HA       TRP  22   5.623  16.198  -2.343
  141   1HB   TRP  22          1HB       TRP  22   8.238  17.253  -3.397
  142   2HB   TRP  22          2HB       TRP  22   7.467  15.753  -3.861
  143    HD1  TRP  22           HD       TRP  22   8.103  18.754  -5.400
  144    HE1  TRP  22           1HE      TRP  22   6.296  19.699  -6.934
  145    HE3  TRP  22           3HE      TRP  22   4.074  15.990  -3.786
  146    HZ2  TRP  22           2HZ      TRP  22   3.468  19.319  -7.420
  147    HZ3  TRP  22           3HZ      TRP  22   1.861  16.335  -4.765
  148    HH2  TRP  22           HH       TRP  22   1.530  17.975  -6.604
  149    H    GLU  23           H        GLU  23   5.670  14.912  -0.867
  150    HA   GLU  23           HA       GLU  23   7.927  14.396   1.002
  151   1HB   GLU  23          1HB       GLU  23   6.088  15.440   2.145
  152   2HB   GLU  23          2HB       GLU  23   4.902  14.505   1.250
  153   1HG   GLU  23          1HG       GLU  23   4.858  13.685   3.427
  154   2HG   GLU  23          2HG       GLU  23   5.606  12.444   2.439
  155    HA   PRO  24           HA       PRO  24   7.509  10.516  -1.470
  156   1HB   PRO  24          1HB       PRO  24   9.568   9.087  -0.417
  157   2HB   PRO  24          2HB       PRO  24   9.803  10.450  -1.554
  158   1HG   PRO  24          1HG       PRO  24  10.004  10.495   1.472
  159   2HG   PRO  24          2HG       PRO  24  11.154  11.174   0.274
  160   1HD   PRO  24          1HD       PRO  24   9.268  12.687   1.515
  161   2HD   PRO  24          2HD       PRO  24   9.730  13.007  -0.181
  162    H    ARG  25           H        ARG  25   6.394   8.779  -1.217
  163    HA   ARG  25           HA       ARG  25   6.115   7.414   1.401
  164   1HB   ARG  25          1HB       ARG  25   3.820   8.380  -0.366
  165   2HB   ARG  25          2HB       ARG  25   3.601   7.092   0.819
  166   1HG   ARG  25          1HG       ARG  25   4.553   9.895   1.502
  167   2HG   ARG  25          2HG       ARG  25   2.890   9.304   1.627
  168   1HD   ARG  25          1HD       ARG  25   3.540   7.623   3.248
  169   2HD   ARG  25          2HD       ARG  25   5.232   8.121   3.160
  170    HE   ARG  25           HE       ARG  25   2.974   9.678   4.302
  171   1HH1  ARG  25          2HH2      ARG  25   6.479   9.828   3.352
  172   2HH1  ARG  25          1HH2      ARG  25   6.750  11.094   4.496
  173   1HH2  ARG  25          2HH1      ARG  25   3.593  11.466   5.803
  174   2HH2  ARG  25          1HH1      ARG  25   5.237  12.035   5.612
  175    H    TRP  26           H        TRP  26   4.747   5.279   0.862
  176    HA   TRP  26           HA       TRP  26   5.877   4.083  -1.629
  177   1HB   TRP  26          1HB       TRP  26   5.681   3.048   1.223
  178   2HB   TRP  26          2HB       TRP  26   5.830   1.966  -0.157
  179    HD1  TRP  26           HD       TRP  26   7.771   4.785   1.639
  180    HE1  TRP  26           1HE      TRP  26  10.270   4.454   1.235
  181    HE3  TRP  26           3HE      TRP  26   7.562   0.641  -1.331
  182    HZ2  TRP  26           2HZ      TRP  26  11.963   2.781  -0.495
  183    HZ3  TRP  26           3HZ      TRP  26   9.559  -0.102  -2.602
  184    HH2  TRP  26           HH       TRP  26  11.754   0.781  -2.018
  185    H    ALA  27           H        ALA  27   4.359   2.864  -2.833
  186    HA   ALA  27           HA       ALA  27   1.787   2.228  -1.551
  187   1HB   ALA  27          1HB       ALA  27   1.062   4.260  -2.618
  188   2HB   ALA  27          2HB       ALA  27   1.929   3.841  -4.136
  189   3HB   ALA  27          3HB       ALA  27   0.518   2.927  -3.617
  190    H    TYR  28           H        TYR  28   0.767   0.504  -2.468
  191    HA   TYR  28           HA       TYR  28   2.509  -1.321  -3.925
  192   1HB   TYR  28          1HB       TYR  28   1.039  -2.113  -2.065
  193   2HB   TYR  28          2HB       TYR  28  -0.373  -1.599  -2.965
  194    HD1  TYR  28           1HD      TYR  28  -1.357  -2.977  -4.618
  195    HD2  TYR  28           2HD      TYR  28   2.573  -3.965  -3.139
  196    HE1  TYR  28           1HE      TYR  28  -1.503  -5.165  -5.716
  197    HE2  TYR  28           2HE      TYR  28   2.490  -6.111  -4.358
  198    HH   TYR  28           HH       TYR  28  -0.465  -7.281  -5.948
  199    H    SER  29           H        SER  29   2.265  -2.020  -6.014
  200    HA   SER  29           HA       SER  29   0.114  -0.810  -7.659
  201   1HB   SER  29          1HB       SER  29   3.076  -1.114  -8.094
  202   2HB   SER  29          2HB       SER  29   2.035  -0.944  -9.474
  203    HG   SER  29           HG       SER  29   1.545   0.681  -7.265
  204    HA   PRO  30           HA       PRO  30  -0.445  -5.308  -8.023
  205   1HB   PRO  30          1HB       PRO  30  -2.870  -5.202  -9.388
  206   2HB   PRO  30          2HB       PRO  30  -2.701  -5.207  -7.611
  207   1HG   PRO  30          1HG       PRO  30  -3.184  -2.887  -9.456
  208   2HG   PRO  30          2HG       PRO  30  -3.841  -3.167  -7.817
  209   1HD   PRO  30          1HD       PRO  30  -1.757  -1.461  -8.335
  210   2HD   PRO  30          2HD       PRO  30  -1.905  -2.355  -6.795
  211    H    LEU  31           H        LEU  31  -0.770  -2.791 -10.514
  212    HA   LEU  31           HA       LEU  31  -0.355  -4.411 -12.819
  213   1HB   LEU  31          1HB       LEU  31   0.219  -1.458 -12.301
  214   2HB   LEU  31          2HB       LEU  31   0.345  -2.266 -13.845
  215    HG   LEU  31           HG       LEU  31  -2.204  -3.020 -13.178
  216   1HD1  LEU  31          1HD1      LEU  31  -1.877  -0.171 -12.123
  217   2HD1  LEU  31          2HD1      LEU  31  -3.401  -1.063 -12.310
  218   3HD1  LEU  31          3HD1      LEU  31  -2.211  -1.599 -11.122
  219   1HD2  LEU  31          1HD2      LEU  31  -2.962  -1.280 -14.741
  220   2HD2  LEU  31          2HD2      LEU  31  -1.386  -0.459 -14.608
  221   3HD2  LEU  31          3HD2      LEU  31  -1.498  -2.082 -15.324
  222    H    LEU  32           H        LEU  32   1.847  -3.557 -10.276
  223    HA   LEU  32           HA       LEU  32   4.177  -4.392 -11.936
  224   1HB   LEU  32          1HB       LEU  32   3.813  -2.520  -9.598
  225   2HB   LEU  32          2HB       LEU  32   5.378  -3.200  -9.915
  226    HG   LEU  32           HG       LEU  32   3.856  -1.645 -12.044
  227   1HD1  LEU  32          1HD1      LEU  32   5.364   0.255 -11.493
  228   2HD1  LEU  32          2HD1      LEU  32   4.252  -0.140 -10.180
  229   3HD1  LEU  32          3HD1      LEU  32   5.960  -0.647 -10.081
  230   1HD2  LEU  32          1HD2      LEU  32   6.110  -1.414 -13.077
  231   2HD2  LEU  32          2HD2      LEU  32   6.799  -2.433 -11.790
  232   3HD2  LEU  32          3HD2      LEU  32   5.631  -3.105 -12.942
  233    H    GLN  33           H        GLN  33   1.922  -5.387  -9.715
  234    HA   GLN  33           HA       GLN  33   1.661  -6.768  -8.075
  235   1HB   GLN  33          1HB       GLN  33   2.311  -8.224 -10.078
  236   2HB   GLN  33          2HB       GLN  33   3.883  -8.424  -9.302
  237   1HG   GLN  33          1HG       GLN  33   1.875  -8.887  -7.304
  238   2HG   GLN  33          2HG       GLN  33   1.318  -9.709  -8.749
  239   1HE2  GLN  33          1HE2      GLN  33   4.418  -9.293  -6.934
  240   2HE2  GLN  33          2HE2      GLN  33   4.884 -10.997  -7.076
  241    H    GLN  34           H        GLN  34   3.406  -4.554  -7.460
  242    HA   GLN  34           HA       GLN  34   4.773  -5.544  -5.102
  243   1HB   GLN  34          1HB       GLN  34   6.386  -6.033  -7.112
  244   2HB   GLN  34          2HB       GLN  34   6.596  -4.275  -7.178
  245   1HG   GLN  34          1HG       GLN  34   7.497  -4.271  -4.894
  246   2HG   GLN  34          2HG       GLN  34   7.125  -5.994  -4.720
  247   1HE2  GLN  34          1HE2      GLN  34   9.524  -5.749  -4.046
  248   2HE2  GLN  34          2HE2      GLN  34  10.676  -6.032  -5.363
  249    H    CYS  35           H        CYS  35   5.995  -3.617  -4.063
  250    HA   CYS  35           HA       CYS  35   4.361  -1.173  -4.431
  251   1HB   CYS  35          1HB       CYS  35   6.262  -2.051  -2.222
  252   2HB   CYS  35          2HB       CYS  35   5.606  -0.435  -2.357
  253    H    HIS  36           H        HIS  36   5.335   0.809  -4.373
  254    HA   HIS  36           HA       HIS  36   8.224   0.945  -4.889
  255   1HB   HIS  36          1HB       HIS  36   8.076   2.167  -7.006
  256   2HB   HIS  36          2HB       HIS  36   7.374   0.568  -7.159
  257    HD1  HIS  36           1HD      HIS  36   6.244   4.264  -6.823
  258    HD2  HIS  36           2HD      HIS  36   4.752   0.433  -7.925
  259    HE1  HIS  36           1HE      HIS  36   3.878   4.609  -7.783
  260    HE2  HIS  36           2HE      HIS  36   3.035   2.215  -8.443
  261    HA   PRO  37           HA       PRO  37   7.693   4.803  -2.747
  262   1HB   PRO  37          1HB       PRO  37   9.719   6.039  -4.598
  263   2HB   PRO  37          2HB       PRO  37   9.733   5.973  -2.811
  264   1HG   PRO  37          1HG       PRO  37  11.347   4.380  -4.383
  265   2HG   PRO  37          2HG       PRO  37  10.683   3.840  -2.818
  266   1HD   PRO  37          1HD       PRO  37   9.801   3.059  -5.563
  267   2HD   PRO  37          2HD       PRO  37   9.784   2.145  -4.053
  268    H    PHE  38           H        PHE  38   6.833   7.149  -3.206
  269    HA   PHE  38           HA       PHE  38   6.490   7.898  -5.940
  270   1HB   PHE  38          1HB       PHE  38   4.164   7.831  -6.172
  271   2HB   PHE  38          2HB       PHE  38   4.577   6.231  -5.615
  272    HD1  PHE  38           1HD      PHE  38   4.250   5.731  -3.039
  273    HD2  PHE  38           2HD      PHE  38   2.524   9.116  -5.085
  274    HE1  PHE  38           1HE      PHE  38   2.492   5.939  -1.280
  275    HE2  PHE  38           2HE      PHE  38   0.818   9.309  -3.325
  276    HZ   PHE  38           HZ       PHE  38   0.783   7.707  -1.424
  277    H    VAL  39           H        VAL  39   5.302  10.030  -6.007
  278    HA   VAL  39           HA       VAL  39   6.240  11.698  -3.784
  279    HB   VAL  39           HB       VAL  39   5.175  12.228  -6.601
  280   1HG1  VAL  39          1HG1      VAL  39   4.431  14.096  -5.300
  281   2HG1  VAL  39          2HG1      VAL  39   5.978  14.207  -4.439
  282   3HG1  VAL  39          3HG1      VAL  39   5.873  14.626  -6.167
  283   1HG2  VAL  39          1HG2      VAL  39   7.473  13.047  -7.013
  284   2HG2  VAL  39          2HG2      VAL  39   7.931  12.633  -5.348
  285   3HG2  VAL  39          3HG2      VAL  39   7.494  11.357  -6.505
  286    H    TYR  40           H        TYR  40   4.899  12.223  -2.180
  287    HA   TYR  40           HA       TYR  40   1.988  12.411  -2.560
  288   1HB   TYR  40          1HB       TYR  40   2.254  10.448  -1.352
  289   2HB   TYR  40          2HB       TYR  40   3.703  10.968  -0.553
  290    HD1  TYR  40           1HD      TYR  40   3.703  12.055   1.502
  291    HD2  TYR  40           2HD      TYR  40  -0.043  11.302  -0.481
  292    HE1  TYR  40           1HE      TYR  40   2.517  12.319   3.663
  293    HE2  TYR  40           2HE      TYR  40  -1.239  11.688   1.640
  294    HH   TYR  40           HH       TYR  40  -0.923  12.621   3.857
  295    H    GLY  41           H        GLY  41   1.156  13.945  -0.661
  296   1HA   GLY  41          1HA       GLY  41   3.055  16.245  -0.519
  297   2HA   GLY  41          2HA       GLY  41   1.362  16.358  -0.940
  298    H    GLY  42           H        GLY  42   1.800  14.171   1.686
  299   1HA   GLY  42          1HA       GLY  42   1.903  14.447   3.985
  300   2HA   GLY  42          2HA       GLY  42   1.985  16.204   3.801
  301    H    CYS  43           H        CYS  43  -0.413  16.354   2.160
  302    HA   CYS  43           HA       CYS  43  -2.540  16.305   4.111
  303   1HB   CYS  43          1HB       CYS  43  -3.879  16.956   1.976
  304   2HB   CYS  43          2HB       CYS  43  -2.720  18.060   2.656
  305    H    GLU  44           H        GLU  44  -4.692  15.472   2.917
  306    HA   GLU  44           HA       GLU  44  -5.342  13.056   3.615
  307   1HB   GLU  44          1HB       GLU  44  -6.229  14.231   0.960
  308   2HB   GLU  44          2HB       GLU  44  -7.055  12.984   1.878
  309   1HG   GLU  44          1HG       GLU  44  -8.232  14.870   2.477
  310   2HG   GLU  44          2HG       GLU  44  -7.131  14.696   3.834
  311    H    GLY  45           H        GLY  45  -5.064  10.902   3.140
  312   1HA   GLY  45          1HA       GLY  45  -4.375  10.005   0.485
  313   2HA   GLY  45          2HA       GLY  45  -3.149   9.668   1.734
  314    H    ASN  46           H        ASN  46  -4.780   7.703   0.344
  315    HA   ASN  46           HA       ASN  46  -6.745   6.795   2.379
  316   1HB   ASN  46          1HB       ASN  46  -6.036   5.542  -0.291
  317   2HB   ASN  46          2HB       ASN  46  -7.373   5.090   0.773
  318   1HD2  ASN  46          1HD2      ASN  46  -8.326   5.331  -1.634
  319   2HD2  ASN  46          2HD2      ASN  46  -9.080   6.915  -1.798
  320    H    GLY  47           H        GLY  47  -6.579   4.124   2.186
  321   1HA   GLY  47          1HA       GLY  47  -4.546   3.272   3.911
  322   2HA   GLY  47          2HA       GLY  47  -5.506   2.204   2.887
  323    H    ASN  48           H        ASN  48  -4.539   3.297   0.294
  324    HA   ASN  48           HA       ASN  48  -1.940   1.954   0.295
  325   1HB   ASN  48          1HB       ASN  48  -3.636   1.627  -1.614
  326   2HB   ASN  48          2HB       ASN  48  -3.132   3.219  -2.168
  327   1HD2  ASN  48          1HD2      ASN  48  -2.569   1.428  -3.950
  328   2HD2  ASN  48          2HD2      ASN  48  -0.940   0.830  -3.960
  329    H    ASN  49           H        ASN  49  -1.298   3.569   1.836
  330    HA   ASN  49           HA       ASN  49   0.600   5.387   0.603
  331   1HB   ASN  49          1HB       ASN  49  -1.458   6.807   1.143
  332   2HB   ASN  49          2HB       ASN  49  -1.300   6.315   2.825
  333   1HD2  ASN  49          1HD2      ASN  49  -0.355   8.620   0.494
  334   2HD2  ASN  49          2HD2      ASN  49   0.839   9.418   1.464
  335    H    PHE  50           H        PHE  50   2.346   4.358   1.464
  336    HA   PHE  50           HA       PHE  50   2.190   3.284   4.218
  337   1HB   PHE  50          1HB       PHE  50   3.808   2.340   1.829
  338   2HB   PHE  50          2HB       PHE  50   4.135   1.789   3.398
  339    HD1  PHE  50           1HD      PHE  50   2.700   0.233   4.570
  340    HD2  PHE  50           2HD      PHE  50   1.566   1.775   0.711
  341    HE1  PHE  50           1HE      PHE  50   0.917  -1.476   4.418
  342    HE2  PHE  50           2HE      PHE  50  -0.184   0.066   0.542
  343    HZ   PHE  50           HZ       PHE  50  -0.586  -1.526   2.417
  344    H    HIS  51           H        HIS  51   3.892   3.597   5.530
  345    HA   HIS  51           HA       HIS  51   5.433   6.055   4.896
  346   1HB   HIS  51          1HB       HIS  51   5.302   4.465   7.464
  347   2HB   HIS  51          2HB       HIS  51   5.982   6.058   7.213
  348    HD1  HIS  51           1HD      HIS  51   3.664   7.535   5.639
  349    HD2  HIS  51           2HD      HIS  51   2.964   4.244   8.127
  350    HE1  HIS  51           1HE      HIS  51   1.136   7.093   5.617
  351    HE2  HIS  51           2HE      HIS  51   0.819   5.009   7.114
  352    H    SER  52           H        SER  52   5.932   2.763   4.666
  353    HA   SER  52           HA       SER  52   8.715   3.292   3.984
  354   1HB   SER  52          1HB       SER  52   9.796   1.670   5.376
  355   2HB   SER  52          2HB       SER  52   8.935   2.802   6.385
  356    HG   SER  52           HG       SER  52   7.180   0.994   6.253
  357    H    ARG  53           H        ARG  53   9.812   1.433   3.234
  358    HA   ARG  53           HA       ARG  53   8.608   0.064   1.041
  359   1HB   ARG  53          1HB       ARG  53  10.896   0.650   1.023
  360   2HB   ARG  53          2HB       ARG  53  11.205  -0.084   2.564
  361   1HG   ARG  53          1HG       ARG  53  12.050  -1.246   0.487
  362   2HG   ARG  53          2HG       ARG  53  11.287  -2.154   1.782
  363   1HD   ARG  53          1HD       ARG  53   9.163  -2.084   0.220
  364   2HD   ARG  53          2HD       ARG  53  10.179  -1.542  -0.996
  365    HE   ARG  53           HE       ARG  53  10.206  -3.774  -1.332
  366   1HH1  ARG  53          2HH2      ARG  53  11.268  -3.760   2.190
  367   2HH1  ARG  53          1HH2      ARG  53  10.818  -5.365   2.387
  368   1HH2  ARG  53          2HH1      ARG  53   9.983  -5.926  -1.013
  369   2HH2  ARG  53          1HH1      ARG  53  10.346  -6.663   0.536
  370    H    GLU  54           H        GLU  54   9.877  -1.220   4.148
  371    HA   GLU  54           HA       GLU  54   9.189  -3.846   3.613
  372   1HB   GLU  54          1HB       GLU  54  10.702  -2.729   5.433
  373   2HB   GLU  54          2HB       GLU  54   9.230  -2.718   6.396
  374   1HG   GLU  54          1HG       GLU  54  10.359  -4.818   6.777
  375   2HG   GLU  54          2HG       GLU  54   8.879  -5.186   5.877
  376    H    SER  55           H        SER  55   7.326  -1.515   5.610
  377    HA   SER  55           HA       SER  55   5.118  -3.141   6.092
  378   1HB   SER  55          1HB       SER  55   3.866  -0.875   6.251
  379   2HB   SER  55          2HB       SER  55   5.310  -1.057   7.254
  380    HG   SER  55           HG       SER  55   5.432   0.122   4.677
  381    H    CYS  56           H        CYS  56   5.883  -1.622   3.049
  382    HA   CYS  56           HA       CYS  56   3.110  -1.702   2.088
  383   1HB   CYS  56          1HB       CYS  56   5.019   0.036   1.512
  384   2HB   CYS  56          2HB       CYS  56   5.700  -1.226   0.519
  385    H    GLU  57           H        GLU  57   6.228  -3.301   1.368
  386    HA   GLU  57           HA       GLU  57   4.856  -5.248  -0.232
  387   1HB   GLU  57          1HB       GLU  57   7.682  -4.939   0.552
  388   2HB   GLU  57          2HB       GLU  57   7.120  -6.533  -0.028
  389   1HG   GLU  57          1HG       GLU  57   6.359  -5.684  -2.093
  390   2HG   GLU  57          2HG       GLU  57   6.207  -4.049  -1.506
  391    H    ASP  58           H        ASP  58   5.499  -5.088   3.242
  392    HA   ASP  58           HA       ASP  58   4.631  -7.716   3.849
  393   1HB   ASP  58          1HB       ASP  58   5.747  -6.426   5.499
  394   2HB   ASP  58          2HB       ASP  58   4.640  -5.072   5.288
  395    H    ALA  59           H        ALA  59   2.730  -4.632   3.143
  396    HA   ALA  59           HA       ALA  59   0.229  -5.953   3.653
  397   1HB   ALA  59          1HB       ALA  59  -0.818  -4.192   2.337
  398   2HB   ALA  59          2HB       ALA  59   0.396  -3.528   3.449
  399   3HB   ALA  59          3HB       ALA  59   0.761  -3.677   1.710
  400    H    CYS  60           H        CYS  60   2.154  -5.643   0.556
  401    HA   CYS  60           HA       CYS  60   1.351  -8.246  -0.210
  402   1HB   CYS  60          1HB       CYS  60   0.425  -5.925  -1.872
  403   2HB   CYS  60          2HB       CYS  60   0.766  -7.403  -2.570
  404    HA   PRO  61           HA       PRO  61   1.610  -9.243  -1.992
  405   1HB   PRO  61          1HB       PRO  61   3.033 -10.956  -3.575
  406   2HB   PRO  61          2HB       PRO  61   2.391  -9.406  -4.198
  407   1HG   PRO  61          1HG       PRO  61   5.224  -9.996  -3.255
  408   2HG   PRO  61          2HG       PRO  61   4.704  -9.142  -4.724
  409   1HD   PRO  61          1HD       PRO  61   5.399  -7.895  -2.321
  410   2HD   PRO  61          2HD       PRO  61   4.331  -7.170  -3.556
  411    H    VAL  62           H        VAL  62   1.766  -9.936   0.363
  412    HA   VAL  62           HA       VAL  62   3.727 -12.006   1.048
  413    HB   VAL  62           HB       VAL  62   3.453  -9.286   2.348
  414   1HG1  VAL  62          1HG1      VAL  62   4.732 -11.701   3.678
  415   2HG1  VAL  62          2HG1      VAL  62   5.109 -10.025   4.104
  416   3HG1  VAL  62          3HG1      VAL  62   3.485 -10.580   4.346
  417   1HG2  VAL  62          1HG2      VAL  62   5.949  -9.305   2.168
  418   2HG2  VAL  62          2HG2      VAL  62   5.871 -10.924   1.430
  419   3HG2  VAL  62          3HG2      VAL  62   5.204  -9.504   0.606
  420    H    VAL  63           H        VAL  63   2.820 -12.113   3.727
  421    HA   VAL  63           HA       VAL  63   0.652 -13.876   3.600
  422    HB   VAL  63           HB       VAL  63   1.406 -12.193   6.000
  423   1HG1  VAL  63          1HG1      VAL  63   0.252 -15.006   5.786
  424   2HG1  VAL  63          2HG1      VAL  63   0.783 -14.231   7.293
  425   3HG1  VAL  63          3HG1      VAL  63  -0.575 -13.552   6.410
  426   1HG2  VAL  63          1HG2      VAL  63   3.009 -14.039   6.603
  427   2HG2  VAL  63          2HG2      VAL  63   2.755 -14.744   4.989
  428   3HG2  VAL  63          3HG2      VAL  63   3.514 -13.146   5.182
  429    H    ASP  64           H        ASP  64  -1.604 -13.592   4.340
  430    HA   ASP  64           HA       ASP  64  -2.627 -11.275   2.955
  431   1HB   ASP  64          1HB       ASP  64  -3.794 -13.366   2.808
  432   2HB   ASP  64          2HB       ASP  64  -3.986 -13.459   4.559
  433    H    HIS  65           H        HIS  65  -2.543  -9.323   3.771
  434    HA   HIS  65           HA       HIS  65  -3.317  -8.625   6.444
  435   1HB   HIS  65          1HB       HIS  65  -2.331  -7.038   4.008
  436   2HB   HIS  65          2HB       HIS  65  -3.098  -6.250   5.381
  437    HD1  HIS  65           1HD      HIS  65  -1.204  -5.053   6.590
  438    HD2  HIS  65           2HD      HIS  65  -0.126  -8.900   5.204
  439    HE1  HIS  65           1HE      HIS  65   1.169  -5.558   7.480
  440    HE2  HIS  65           2HE      HIS  65   1.834  -7.814   6.560
  441    H    HIS  66           H        HIS  66  -5.499  -9.014   6.451
  442    HA   HIS  66           HA       HIS  66  -7.006 -10.111   4.552
  443   1HB   HIS  66          1HB       HIS  66  -8.111  -8.150   6.520
  444   2HB   HIS  66          2HB       HIS  66  -9.031  -9.307   5.620
  445    HD1  HIS  66           1HD      HIS  66  -9.565  -9.735   8.340
  446    HD2  HIS  66           2HD      HIS  66  -6.057 -11.305   6.558
  447    HE1  HIS  66           1HE      HIS  66  -8.704 -11.659   9.908
  448    HE2  HIS  66           2HE      HIS  66  -6.547 -12.578   8.762
  449    H    HIS  67           H        HIS  67  -6.500  -9.466   2.618
  450    HA   HIS  67           HA       HIS  67  -7.396  -7.032   1.442
  451   1HB   HIS  67          1HB       HIS  67  -6.865  -9.794   0.224
  452   2HB   HIS  67          2HB       HIS  67  -7.024  -8.299  -0.706
  453    HD1  HIS  67           1HD      HIS  67  -5.214  -6.267   0.445
  454    HD2  HIS  67           2HD      HIS  67  -4.340 -10.397   0.762
  455    HE1  HIS  67           1HE      HIS  67  -2.716  -6.475   1.122
  456    HE2  HIS  67           2HE      HIS  67  -2.157  -8.926   1.209
  457    H    HIS  68           H        HIS  68  -9.258  -7.023  -0.237
  458    HA   HIS  68           HA       HIS  68 -11.618  -7.567   1.281
  459   1HB   HIS  68          1HB       HIS  68 -11.181  -6.422  -1.430
  460   2HB   HIS  68          2HB       HIS  68 -12.763  -7.150  -1.138
  461    HD1  HIS  68           1HD      HIS  68 -14.430  -5.950   0.493
  462    HD2  HIS  68           2HD      HIS  68 -10.428  -4.749   0.781
  463    HE1  HIS  68           1HE      HIS  68 -14.315  -4.190   2.329
  464    HE2  HIS  68           2HE      HIS  68 -11.864  -3.519   2.558
  465    H    HIS  69           H        HIS  69 -11.536  -9.688   1.894
  466    HA   HIS  69           HA       HIS  69 -11.974 -11.941   0.193
  467   1HB   HIS  69          1HB       HIS  69 -13.080 -11.534   3.013
  468   2HB   HIS  69          2HB       HIS  69 -12.734 -13.067   2.226
  469    HD1  HIS  69           1HD      HIS  69 -11.243 -11.065   4.924
  470    HD2  HIS  69           2HD      HIS  69  -9.753 -12.951   1.385
  471    HE1  HIS  69           1HE      HIS  69  -8.829 -11.624   5.315
  472    HE2  HIS  69           2HE      HIS  69  -7.843 -12.592   3.265
  473    H    HIS  70           H        HIS  70 -13.966  -9.375   1.305
  474    HA   HIS  70           HA       HIS  70 -16.103  -9.491  -0.488
  475   1HB   HIS  70          1HB       HIS  70 -16.511 -10.017   2.504
  476   2HB   HIS  70          2HB       HIS  70 -17.585  -8.935   1.635
  477    HD1  HIS  70           1HD      HIS  70 -16.352 -12.225   0.053
  478    HD2  HIS  70           2HD      HIS  70 -19.775 -10.360   1.689
  479    HE1  HIS  70           1HE      HIS  70 -18.362 -13.768  -0.488
  480    HE2  HIS  70           2HE      HIS  70 -20.448 -12.613   0.517
  Start of MODEL   15
    1   1H    GLU   1          1H        GLU   1  -5.105 -15.824   4.471
    2   2H    GLU   1          2H        GLU   1  -4.488 -15.166   5.903
    3   3H    GLU   1          H         GLU   1  -4.449 -14.313   4.481
    4    HA   GLU   1           HA       GLU   1  -6.710 -14.154   4.338
    5   1HB   GLU   1          1HB       GLU   1  -6.857 -15.525   7.052
    6   2HB   GLU   1          2HB       GLU   1  -8.190 -14.828   6.135
    7   1HG   GLU   1          1HG       GLU   1  -6.668 -17.374   5.645
    8   2HG   GLU   1          2HG       GLU   1  -8.413 -17.105   5.668
    9    H    ALA   2           H        ALA   2  -7.196 -12.125   4.731
   10    HA   ALA   2           HA       ALA   2  -6.523 -10.700   7.158
   11   1HB   ALA   2          1HB       ALA   2  -5.139  -9.955   4.530
   12   2HB   ALA   2          2HB       ALA   2  -5.258  -8.900   5.958
   13   3HB   ALA   2          3HB       ALA   2  -4.374 -10.431   6.053
   14    H    GLU   3           H        GLU   3  -8.647 -10.672   7.211
   15    HA   GLU   3           HA       GLU   3 -10.726 -10.504   5.862
   16   1HB   GLU   3          1HB       GLU   3 -10.416  -8.739   8.306
   17   2HB   GLU   3          2HB       GLU   3 -11.903  -9.485   7.711
   18   1HG   GLU   3          1HG       GLU   3  -9.503 -10.832   8.978
   19   2HG   GLU   3          2HG       GLU   3 -11.188 -10.867   9.506
   20    H    ALA   4           H        ALA   4  -8.821  -7.691   5.460
   21    HA   ALA   4           HA       ALA   4 -10.840  -5.742   4.949
   22   1HB   ALA   4          1HB       ALA   4  -8.497  -5.138   5.331
   23   2HB   ALA   4          2HB       ALA   4  -8.028  -5.951   3.815
   24   3HB   ALA   4          3HB       ALA   4  -9.069  -4.520   3.769
   25    H    GLU   5           H        GLU   5 -12.396  -7.051   3.848
   26    HA   GLU   5           HA       GLU   5 -12.231  -7.614   1.007
   27   1HB   GLU   5          1HB       GLU   5 -14.479  -7.436   3.056
   28   2HB   GLU   5          2HB       GLU   5 -14.801  -7.787   1.365
   29   1HG   GLU   5          1HG       GLU   5 -12.936  -9.476   3.090
   30   2HG   GLU   5          2HG       GLU   5 -14.658  -9.785   2.907
   31    H    PHE   6           H        PHE   6 -12.801  -4.841   2.898
   32    HA   PHE   6           HA       PHE   6 -14.401  -3.200   1.135
   33   1HB   PHE   6          1HB       PHE   6 -14.134  -2.842   3.594
   34   2HB   PHE   6          2HB       PHE   6 -12.423  -2.504   3.357
   35    HD1  PHE   6           1HD      PHE   6 -11.715  -0.253   3.011
   36    HD2  PHE   6           2HD      PHE   6 -15.847  -1.315   2.323
   37    HE1  PHE   6           1HE      PHE   6 -12.256   2.117   2.574
   38    HE2  PHE   6           2HE      PHE   6 -16.376   1.069   1.886
   39    HZ   PHE   6           HZ       PHE   6 -14.585   2.788   2.001
   40    H    THR   7           H        THR   7 -13.099  -0.918   0.504
   41    HA   THR   7           HA       THR   7 -11.313  -1.599  -1.618
   42    HB   THR   7           HB       THR   7 -11.722   1.114  -0.295
   43    HG1  THR   7           1HG      THR   7 -13.326  -0.322  -2.125
   44   1HG2  THR   7          1HG2      THR   7 -11.318   1.972  -2.574
   45   2HG2  THR   7          2HG2      THR   7  -9.929   1.026  -2.006
   46   3HG2  THR   7          3HG2      THR   7 -11.065   0.315  -3.172
   47    H    ASP   8           H        ASP   8  -9.748  -2.822  -0.756
   48    HA   ASP   8           HA       ASP   8  -7.934  -2.289   1.349
   49   1HB   ASP   8          1HB       ASP   8  -8.340  -4.500   0.606
   50   2HB   ASP   8          2HB       ASP   8  -8.025  -4.084  -1.082
   51    H    ALA   9           H        ALA   9  -5.930  -1.554   1.388
   52    HA   ALA   9           HA       ALA   9  -5.110   0.646  -0.253
   53   1HB   ALA   9          1HB       ALA   9  -3.588  -1.189   1.666
   54   2HB   ALA   9          2HB       ALA   9  -2.924   0.286   0.956
   55   3HB   ALA   9          3HB       ALA   9  -4.315   0.387   2.057
   56    H    CYS  10           H        CYS  10  -4.389  -2.839  -0.217
   57    HA   CYS  10           HA       CYS  10  -2.337  -2.612  -2.286
   58   1HB   CYS  10          1HB       CYS  10  -1.846  -4.226  -0.820
   59   2HB   CYS  10          2HB       CYS  10  -3.468  -4.773  -0.592
   60    H    VAL  11           H        VAL  11  -5.797  -2.667  -2.431
   61    HA   VAL  11           HA       VAL  11  -5.740  -3.476  -5.292
   62    HB   VAL  11           HB       VAL  11  -7.974  -3.093  -3.266
   63   1HG1  VAL  11          1HG1      VAL  11  -8.927  -2.403  -5.392
   64   2HG1  VAL  11          2HG1      VAL  11  -8.235  -3.820  -6.212
   65   3HG1  VAL  11          3HG1      VAL  11  -9.519  -4.013  -4.993
   66   1HG2  VAL  11          1HG2      VAL  11  -8.326  -5.507  -3.584
   67   2HG2  VAL  11          2HG2      VAL  11  -7.012  -5.565  -4.787
   68   3HG2  VAL  11          3HG2      VAL  11  -6.661  -5.221  -3.089
   69    H    LEU  12           H        LEU  12  -5.302  -0.629  -3.427
   70    HA   LEU  12           HA       LEU  12  -6.838   1.055  -5.313
   71   1HB   LEU  12          1HB       LEU  12  -7.580   1.292  -3.175
   72   2HB   LEU  12          2HB       LEU  12  -5.961   1.275  -2.449
   73    HG   LEU  12           HG       LEU  12  -5.861   3.633  -3.785
   74   1HD1  LEU  12          1HD1      LEU  12  -8.303   3.273  -4.590
   75   2HD1  LEU  12          2HD1      LEU  12  -8.782   3.405  -2.903
   76   3HD1  LEU  12          3HD1      LEU  12  -7.997   4.785  -3.710
   77   1HD2  LEU  12          1HD2      LEU  12  -5.406   3.355  -1.439
   78   2HD2  LEU  12          2HD2      LEU  12  -6.506   4.710  -1.741
   79   3HD2  LEU  12          3HD2      LEU  12  -7.143   3.169  -1.084
   80    HA   PRO  13           HA       PRO  13  -2.929   2.501  -6.870
   81   1HB   PRO  13          1HB       PRO  13  -3.683   5.088  -7.709
   82   2HB   PRO  13          2HB       PRO  13  -3.812   3.579  -8.640
   83   1HG   PRO  13          1HG       PRO  13  -5.950   5.143  -7.316
   84   2HG   PRO  13          2HG       PRO  13  -6.092   3.906  -8.598
   85   1HD   PRO  13          1HD       PRO  13  -6.597   3.634  -5.792
   86   2HD   PRO  13          2HD       PRO  13  -6.683   2.331  -6.971
   87    H    ALA  14           H        ALA  14  -1.397   4.375  -6.643
   88    HA   ALA  14           HA       ALA  14  -0.992   5.050  -3.846
   89   1HB   ALA  14          1HB       ALA  14   0.394   6.172  -6.334
   90   2HB   ALA  14          2HB       ALA  14   0.996   6.165  -4.663
   91   3HB   ALA  14          3HB       ALA  14   0.841   4.640  -5.560
   92    H    VAL  15           H        VAL  15  -2.241   6.657  -2.874
   93    HA   VAL  15           HA       VAL  15  -3.405   8.743  -4.619
   94    HB   VAL  15           HB       VAL  15  -3.889   8.422  -1.684
   95   1HG1  VAL  15          1HG1      VAL  15  -6.024   9.584  -2.199
   96   2HG1  VAL  15          2HG1      VAL  15  -4.611  10.563  -2.557
   97   3HG1  VAL  15          3HG1      VAL  15  -5.498   9.767  -3.885
   98   1HG2  VAL  15          1HG2      VAL  15  -5.345   7.116  -4.030
   99   2HG2  VAL  15          2HG2      VAL  15  -4.581   6.286  -2.654
  100   3HG2  VAL  15          3HG2      VAL  15  -6.048   7.249  -2.414
  101    H    GLN  16           H        GLN  16  -2.548  10.552  -4.770
  102    HA   GLN  16           HA       GLN  16  -0.119  11.350  -3.300
  103   1HB   GLN  16          1HB       GLN  16  -1.614  12.875  -5.477
  104   2HB   GLN  16          2HB       GLN  16  -0.044  13.287  -4.784
  105   1HG   GLN  16          1HG       GLN  16   0.765  10.973  -5.581
  106   2HG   GLN  16          2HG       GLN  16  -0.728  10.893  -6.524
  107   1HE2  GLN  16          1HE2      GLN  16   2.395  12.517  -6.157
  108   2HE2  GLN  16          2HE2      GLN  16   2.283  13.450  -7.655
  109    H    GLY  17           H        GLY  17  -3.549  12.132  -3.190
  110   1HA   GLY  17          1HA       GLY  17  -4.669  13.280  -1.532
  111   2HA   GLY  17          2HA       GLY  17  -3.127  13.878  -0.879
  112    HA   PRO  18           HA       PRO  18  -5.148  17.084  -3.641
  113   1HB   PRO  18          1HB       PRO  18  -6.133  18.913  -1.874
  114   2HB   PRO  18          2HB       PRO  18  -6.992  17.405  -2.302
  115   1HG   PRO  18          1HG       PRO  18  -5.285  17.949   0.132
  116   2HG   PRO  18          2HG       PRO  18  -6.887  17.167   0.063
  117   1HD   PRO  18          1HD       PRO  18  -4.544  15.727   0.158
  118   2HD   PRO  18          2HD       PRO  18  -5.991  15.146  -0.705
  119    H    CYS  19           H        CYS  19  -2.890  17.621  -0.890
  120    HA   CYS  19           HA       CYS  19  -2.240  20.274  -1.794
  121   1HB   CYS  19          1HB       CYS  19  -0.612  18.633   0.136
  122   2HB   CYS  19          2HB       CYS  19  -0.685  20.364   0.023
  123    H    ARG  20           H        ARG  20  -0.097  20.988  -2.150
  124    HA   ARG  20           HA       ARG  20   1.310  19.350  -4.230
  125   1HB   ARG  20          1HB       ARG  20   0.640  22.266  -4.121
  126   2HB   ARG  20          2HB       ARG  20   2.022  21.719  -5.031
  127   1HG   ARG  20          1HG       ARG  20  -0.065  22.096  -6.360
  128   2HG   ARG  20          2HG       ARG  20   0.741  20.567  -6.615
  129   1HD   ARG  20          1HD       ARG  20  -1.757  20.840  -4.904
  130   2HD   ARG  20          2HD       ARG  20  -1.771  20.533  -6.646
  131    HE   ARG  20           HE       ARG  20  -0.217  18.729  -4.906
  132   1HH1  ARG  20          2HH2      ARG  20  -3.224  19.032  -6.749
  133   2HH1  ARG  20          1HH2      ARG  20  -3.677  17.384  -6.477
  134   1HH2  ARG  20          2HH1      ARG  20  -0.925  16.800  -4.338
  135   2HH2  ARG  20          1HH1      ARG  20  -2.354  16.071  -4.935
  136    H    GLY  21           H        GLY  21   1.807  19.876  -1.237
  137   1HA   GLY  21          1HA       GLY  21   4.685  20.680  -1.317
  138   2HA   GLY  21          2HA       GLY  21   3.789  20.059   0.118
  139    H    TRP  22           H        TRP  22   6.273  18.481  -0.619
  140    HA   TRP  22           HA       TRP  22   5.019  16.148  -1.833
  141   1HB   TRP  22          1HB       TRP  22   7.538  17.508  -2.823
  142   2HB   TRP  22          2HB       TRP  22   7.056  15.898  -3.265
  143    HD1  TRP  22           HD       TRP  22   7.446  18.691  -4.993
  144    HE1  TRP  22           1HE      TRP  22   5.692  19.331  -6.733
  145    HE3  TRP  22           3HE      TRP  22   3.573  15.710  -3.425
  146    HZ2  TRP  22           2HZ      TRP  22   3.004  18.572  -7.438
  147    HZ3  TRP  22           3HZ      TRP  22   1.466  15.633  -4.686
  148    HH2  TRP  22           HH       TRP  22   1.155  17.062  -6.711
  149    H    GLU  23           H        GLU  23   5.502  14.552  -0.827
  150    HA   GLU  23           HA       GLU  23   7.767  14.185   1.078
  151   1HB   GLU  23          1HB       GLU  23   5.853  14.761   2.367
  152   2HB   GLU  23          2HB       GLU  23   4.765  13.856   1.327
  153   1HG   GLU  23          1HG       GLU  23   4.839  12.692   3.315
  154   2HG   GLU  23          2HG       GLU  23   5.720  11.726   2.147
  155    HA   PRO  24           HA       PRO  24   7.892  10.419  -1.678
  156   1HB   PRO  24          1HB       PRO  24  10.114   9.257  -0.641
  157   2HB   PRO  24          2HB       PRO  24  10.196  10.686  -1.719
  158   1HG   PRO  24          1HG       PRO  24  10.350  10.624   1.309
  159   2HG   PRO  24          2HG       PRO  24  11.409  11.504   0.163
  160   1HD   PRO  24          1HD       PRO  24   9.312  12.687   1.453
  161   2HD   PRO  24          2HD       PRO  24   9.779  13.164  -0.205
  162    H    ARG  25           H        ARG  25   6.654   8.733  -1.363
  163    HA   ARG  25           HA       ARG  25   6.696   7.304   1.234
  164   1HB   ARG  25          1HB       ARG  25   4.204   8.203  -0.286
  165   2HB   ARG  25          2HB       ARG  25   4.158   6.964   0.969
  166   1HG   ARG  25          1HG       ARG  25   5.098   9.819   1.382
  167   2HG   ARG  25          2HG       ARG  25   3.497   9.192   1.777
  168   1HD   ARG  25          1HD       ARG  25   4.409   7.642   3.380
  169   2HD   ARG  25          2HD       ARG  25   6.065   8.116   2.996
  170    HE   ARG  25           HE       ARG  25   5.913  10.101   4.117
  171   1HH1  ARG  25          2HH2      ARG  25   2.658   8.651   4.166
  172   2HH1  ARG  25          1HH2      ARG  25   2.039   9.803   5.298
  173   1HH2  ARG  25          2HH1      ARG  25   5.200  11.478   5.528
  174   2HH2  ARG  25          1HH1      ARG  25   3.583  11.510   6.202
  175    H    TRP  26           H        TRP  26   5.334   5.181   0.824
  176    HA   TRP  26           HA       TRP  26   6.229   3.997  -1.769
  177   1HB   TRP  26          1HB       TRP  26   6.211   2.943   1.081
  178   2HB   TRP  26          2HB       TRP  26   6.209   1.865  -0.308
  179    HD1  TRP  26           HD       TRP  26   8.430   4.576   1.330
  180    HE1  TRP  26           1HE      TRP  26  10.851   4.200   0.614
  181    HE3  TRP  26           3HE      TRP  26   7.687   0.676  -1.845
  182    HZ2  TRP  26           2HZ      TRP  26  12.298   2.410  -1.218
  183    HZ3  TRP  26           3HZ      TRP  26   9.515  -0.073  -3.366
  184    HH2  TRP  26           HH       TRP  26  11.827   0.616  -2.916
  185    H    ALA  27           H        ALA  27   4.643   2.699  -2.839
  186    HA   ALA  27           HA       ALA  27   2.109   2.207  -1.439
  187   1HB   ALA  27          1HB       ALA  27   1.434   4.227  -2.531
  188   2HB   ALA  27          2HB       ALA  27   2.282   3.764  -4.044
  189   3HB   ALA  27          3HB       ALA  27   0.826   2.908  -3.520
  190    H    TYR  28           H        TYR  28   1.047   0.437  -2.218
  191    HA   TYR  28           HA       TYR  28   2.670  -1.442  -3.762
  192   1HB   TYR  28          1HB       TYR  28   1.277  -2.169  -1.804
  193   2HB   TYR  28          2HB       TYR  28  -0.165  -1.721  -2.695
  194    HD1  TYR  28           1HD      TYR  28  -1.149  -3.231  -4.238
  195    HD2  TYR  28           2HD      TYR  28   2.872  -3.969  -2.901
  196    HE1  TYR  28           1HE      TYR  28  -1.197  -5.451  -5.318
  197    HE2  TYR  28           2HE      TYR  28   2.870  -6.132  -4.044
  198    HH   TYR  28           HH       TYR  28   1.658  -7.636  -5.256
  199    H    SER  29           H        SER  29   2.279  -2.141  -5.832
  200    HA   SER  29           HA       SER  29   0.018  -0.896  -7.308
  201   1HB   SER  29          1HB       SER  29   2.931  -1.199  -7.984
  202   2HB   SER  29          2HB       SER  29   1.781  -1.018  -9.273
  203    HG   SER  29           HG       SER  29   1.419   0.595  -7.043
  204    HA   PRO  30           HA       PRO  30  -0.585  -5.386  -7.611
  205   1HB   PRO  30          1HB       PRO  30  -3.123  -5.293  -8.728
  206   2HB   PRO  30          2HB       PRO  30  -2.785  -5.247  -6.972
  207   1HG   PRO  30          1HG       PRO  30  -3.414  -2.968  -8.831
  208   2HG   PRO  30          2HG       PRO  30  -3.955  -3.215  -7.146
  209   1HD   PRO  30          1HD       PRO  30  -1.906  -1.533  -7.825
  210   2HD   PRO  30          2HD       PRO  30  -1.931  -2.422  -6.277
  211    H    LEU  31           H        LEU  31  -1.155  -2.879 -10.069
  212    HA   LEU  31           HA       LEU  31  -0.920  -4.490 -12.399
  213   1HB   LEU  31          1HB       LEU  31  -0.285  -1.541 -11.931
  214   2HB   LEU  31          2HB       LEU  31  -0.310  -2.350 -13.481
  215    HG   LEU  31           HG       LEU  31  -2.793  -3.080 -12.572
  216   1HD1  LEU  31          1HD1      LEU  31  -2.346  -0.225 -11.575
  217   2HD1  LEU  31          2HD1      LEU  31  -3.884  -1.110 -11.604
  218   3HD1  LEU  31          3HD1      LEU  31  -2.588  -1.642 -10.533
  219   1HD2  LEU  31          1HD2      LEU  31  -2.089  -0.535 -14.090
  220   2HD2  LEU  31          2HD2      LEU  31  -2.286  -2.160 -14.782
  221   3HD2  LEU  31          3HD2      LEU  31  -3.679  -1.339 -14.068
  222    H    LEU  32           H        LEU  32   1.493  -3.623 -10.056
  223    HA   LEU  32           HA       LEU  32   3.672  -4.479 -11.901
  224   1HB   LEU  32          1HB       LEU  32   3.532  -2.598  -9.551
  225   2HB   LEU  32          2HB       LEU  32   5.059  -3.281 -10.025
  226    HG   LEU  32           HG       LEU  32   3.324  -1.732 -11.988
  227   1HD1  LEU  32          1HD1      LEU  32   5.628  -0.722 -10.267
  228   2HD1  LEU  32          2HD1      LEU  32   4.870   0.174 -11.603
  229   3HD1  LEU  32          3HD1      LEU  32   3.917  -0.223 -10.171
  230   1HD2  LEU  32          1HD2      LEU  32   4.996  -3.191 -13.063
  231   2HD2  LEU  32          2HD2      LEU  32   5.455  -1.501 -13.253
  232   3HD2  LEU  32          3HD2      LEU  32   6.280  -2.513 -12.043
  233    H    GLN  33           H        GLN  33   1.618  -5.450  -9.513
  234    HA   GLN  33           HA       GLN  33   1.438  -6.833  -7.874
  235   1HB   GLN  33          1HB       GLN  33   2.019  -8.281  -9.907
  236   2HB   GLN  33          2HB       GLN  33   3.623  -8.471  -9.199
  237   1HG   GLN  33          1HG       GLN  33   1.662  -8.982  -7.148
  238   2HG   GLN  33          2HG       GLN  33   1.127  -9.823  -8.587
  239   1HE2  GLN  33          1HE2      GLN  33   4.224  -9.324  -6.755
  240   2HE2  GLN  33          2HE2      GLN  33   4.726 -11.012  -6.913
  241    H    GLN  34           H        GLN  34   3.323  -4.607  -7.401
  242    HA   GLN  34           HA       GLN  34   4.860  -5.683  -5.127
  243   1HB   GLN  34          1HB       GLN  34   6.222  -5.956  -7.439
  244   2HB   GLN  34          2HB       GLN  34   6.396  -4.206  -7.247
  245   1HG   GLN  34          1HG       GLN  34   8.357  -4.993  -6.423
  246   2HG   GLN  34          2HG       GLN  34   7.455  -4.700  -4.952
  247   1HE2  GLN  34          1HE2      GLN  34   6.849  -6.564  -3.644
  248   2HE2  GLN  34          2HE2      GLN  34   7.442  -8.160  -4.024
  249    H    CYS  35           H        CYS  35   6.027  -3.896  -4.027
  250    HA   CYS  35           HA       CYS  35   4.595  -1.312  -4.253
  251   1HB   CYS  35          1HB       CYS  35   6.517  -2.450  -2.233
  252   2HB   CYS  35          2HB       CYS  35   6.069  -0.756  -2.241
  253    H    HIS  36           H        HIS  36   5.519   0.580  -4.427
  254    HA   HIS  36           HA       HIS  36   8.383   0.828  -5.111
  255   1HB   HIS  36          1HB       HIS  36   8.061   1.948  -7.233
  256   2HB   HIS  36          2HB       HIS  36   7.342   0.351  -7.288
  257    HD1  HIS  36           1HD      HIS  36   6.251   4.071  -6.970
  258    HD2  HIS  36           2HD      HIS  36   4.656   0.227  -7.903
  259    HE1  HIS  36           1HE      HIS  36   3.873   4.420  -7.834
  260    HE2  HIS  36           2HE      HIS  36   2.944   2.026  -8.347
  261    HA   PRO  37           HA       PRO  37   7.900   4.738  -3.023
  262   1HB   PRO  37          1HB       PRO  37   9.720   6.026  -5.031
  263   2HB   PRO  37          2HB       PRO  37   9.883   5.949  -3.251
  264   1HG   PRO  37          1HG       PRO  37  11.430   4.420  -4.916
  265   2HG   PRO  37          2HG       PRO  37  10.832   3.803  -3.349
  266   1HD   PRO  37          1HD       PRO  37   9.732   3.268  -6.108
  267   2HD   PRO  37          2HD       PRO  37   9.985   2.148  -4.753
  268    H    PHE  38           H        PHE  38   7.025   7.095  -3.415
  269    HA   PHE  38           HA       PHE  38   6.385   7.850  -6.086
  270   1HB   PHE  38          1HB       PHE  38   4.068   7.778  -6.083
  271   2HB   PHE  38          2HB       PHE  38   4.506   6.189  -5.516
  272    HD1  PHE  38           1HD      PHE  38   2.530   9.117  -4.910
  273    HD2  PHE  38           2HD      PHE  38   4.387   5.789  -2.865
  274    HE1  PHE  38           1HE      PHE  38   0.841   9.256  -3.142
  275    HE2  PHE  38           2HE      PHE  38   2.661   5.965  -1.092
  276    HZ   PHE  38           HZ       PHE  38   0.870   7.656  -1.240
  277    H    VAL  39           H        VAL  39   5.185  10.046  -5.958
  278    HA   VAL  39           HA       VAL  39   6.222  11.533  -3.613
  279    HB   VAL  39           HB       VAL  39   5.168  12.604  -6.270
  280   1HG1  VAL  39          1HG1      VAL  39   5.060  14.148  -4.315
  281   2HG1  VAL  39          2HG1      VAL  39   6.780  13.860  -4.008
  282   3HG1  VAL  39          3HG1      VAL  39   6.257  14.689  -5.498
  283   1HG2  VAL  39          1HG2      VAL  39   7.258  11.375  -6.733
  284   2HG2  VAL  39          2HG2      VAL  39   7.552  13.115  -6.789
  285   3HG2  VAL  39          3HG2      VAL  39   8.057  12.187  -5.364
  286    H    TYR  40           H        TYR  40   4.794  11.783  -2.035
  287    HA   TYR  40           HA       TYR  40   1.871  11.846  -2.532
  288   1HB   TYR  40          1HB       TYR  40   2.375  10.060  -1.088
  289   2HB   TYR  40          2HB       TYR  40   3.706  10.891  -0.345
  290    HD1  TYR  40           1HD      TYR  40   3.509  11.589   1.780
  291    HD2  TYR  40           2HD      TYR  40  -0.076  11.319  -0.602
  292    HE1  TYR  40           1HE      TYR  40   2.155  11.998   3.797
  293    HE2  TYR  40           2HE      TYR  40  -1.420  11.851   1.426
  294    HH   TYR  40           HH       TYR  40  -1.173  12.675   3.703
  295    H    GLY  41           H        GLY  41   0.733  13.529  -1.192
  296   1HA   GLY  41          1HA       GLY  41   2.261  15.982  -1.315
  297   2HA   GLY  41          2HA       GLY  41   0.536  15.840  -1.295
  298    H    GLY  42           H        GLY  42   1.763  13.926   1.192
  299   1HA   GLY  42          1HA       GLY  42   2.319  14.155   3.363
  300   2HA   GLY  42          2HA       GLY  42   2.510  15.891   3.174
  301    H    CYS  43           H        CYS  43  -0.193  16.399   2.268
  302    HA   CYS  43           HA       CYS  43  -1.699  16.186   4.767
  303   1HB   CYS  43          1HB       CYS  43  -3.139  17.779   3.864
  304   2HB   CYS  43          2HB       CYS  43  -1.533  18.251   3.367
  305    H    GLU  44           H        GLU  44  -4.283  15.854   3.959
  306    HA   GLU  44           HA       GLU  44  -4.946  13.346   4.383
  307   1HB   GLU  44          1HB       GLU  44  -6.410  14.922   2.259
  308   2HB   GLU  44          2HB       GLU  44  -7.025  13.608   3.253
  309   1HG   GLU  44          1HG       GLU  44  -7.866  15.452   4.326
  310   2HG   GLU  44          2HG       GLU  44  -6.451  15.088   5.298
  311    H    GLY  45           H        GLY  45  -4.981  11.301   3.459
  312   1HA   GLY  45          1HA       GLY  45  -5.119  10.857   0.637
  313   2HA   GLY  45          2HA       GLY  45  -3.532  10.428   1.321
  314    H    ASN  46           H        ASN  46  -4.883   8.343   0.350
  315    HA   ASN  46           HA       ASN  46  -6.590   7.154   2.452
  316   1HB   ASN  46          1HB       ASN  46  -5.760   5.964  -0.194
  317   2HB   ASN  46          2HB       ASN  46  -7.021   5.358   0.858
  318   1HD2  ASN  46          1HD2      ASN  46  -8.627   5.342  -0.844
  319   2HD2  ASN  46          2HD2      ASN  46  -9.302   6.895  -1.314
  320    H    GLY  47           H        GLY  47  -6.136   4.593   2.347
  321   1HA   GLY  47          1HA       GLY  47  -3.869   4.254   4.053
  322   2HA   GLY  47          2HA       GLY  47  -4.972   2.988   3.520
  323    H    ASN  48           H        ASN  48  -3.900   4.053   0.571
  324    HA   ASN  48           HA       ASN  48  -1.687   2.071   0.617
  325   1HB   ASN  48          1HB       ASN  48  -3.332   1.942  -1.282
  326   2HB   ASN  48          2HB       ASN  48  -2.699   3.480  -1.871
  327   1HD2  ASN  48          1HD2      ASN  48  -2.310   1.504  -3.648
  328   2HD2  ASN  48          2HD2      ASN  48  -0.725   0.819  -3.607
  329    H    ASN  49           H        ASN  49  -0.646   3.497   2.142
  330    HA   ASN  49           HA       ASN  49   1.217   5.338   0.830
  331   1HB   ASN  49          1HB       ASN  49  -0.848   6.683   1.503
  332   2HB   ASN  49          2HB       ASN  49  -0.536   6.231   3.175
  333   1HD2  ASN  49          1HD2      ASN  49  -0.161   8.703   1.085
  334   2HD2  ASN  49          2HD2      ASN  49   1.247   9.473   1.745
  335    H    PHE  50           H        PHE  50   3.028   4.345   1.524
  336    HA   PHE  50           HA       PHE  50   3.181   3.325   4.307
  337   1HB   PHE  50          1HB       PHE  50   4.290   2.196   1.722
  338   2HB   PHE  50          2HB       PHE  50   4.740   1.574   3.252
  339    HD1  PHE  50           1HD      PHE  50   2.093   1.661   0.731
  340    HD2  PHE  50           2HD      PHE  50   2.916   0.688   4.857
  341    HE1  PHE  50           1HE      PHE  50  -0.083   0.485   0.905
  342    HE2  PHE  50           2HE      PHE  50   0.716  -0.426   5.025
  343    HZ   PHE  50           HZ       PHE  50  -0.809  -0.477   3.066
  344    H    HIS  51           H        HIS  51   5.305   3.069   5.110
  345    HA   HIS  51           HA       HIS  51   6.697   5.670   4.900
  346   1HB   HIS  51          1HB       HIS  51   7.201   3.392   6.852
  347   2HB   HIS  51          2HB       HIS  51   7.571   5.082   7.047
  348    HD1  HIS  51           1HD      HIS  51   5.298   6.660   7.682
  349    HD2  HIS  51           2HD      HIS  51   4.836   2.474   7.383
  350    HE1  HIS  51           1HE      HIS  51   2.957   6.104   8.651
  351    HE2  HIS  51           2HE      HIS  51   2.693   3.538   8.470
  352    H    SER  52           H        SER  52   7.079   2.376   3.937
  353    HA   SER  52           HA       SER  52   9.882   2.755   3.119
  354   1HB   SER  52          1HB       SER  52  10.365   0.609   4.606
  355   2HB   SER  52          2HB       SER  52  10.290   2.179   5.410
  356    HG   SER  52           HG       SER  52   8.910   0.391   6.409
  357    H    ARG  53           H        ARG  53  10.682   0.634   2.242
  358    HA   ARG  53           HA       ARG  53   8.824  -0.596   0.371
  359   1HB   ARG  53          1HB       ARG  53  11.217  -0.444  -0.103
  360   2HB   ARG  53          2HB       ARG  53  11.576  -1.444   1.302
  361   1HG   ARG  53          1HG       ARG  53  11.701  -2.714  -0.703
  362   2HG   ARG  53          2HG       ARG  53  10.419  -3.352   0.307
  363   1HD   ARG  53          1HD       ARG  53   8.779  -2.180  -1.245
  364   2HD   ARG  53          2HD       ARG  53  10.120  -1.695  -2.239
  365    HE   ARG  53           HE       ARG  53   9.543  -4.561  -1.594
  366   1HH1  ARG  53          2HH2      ARG  53   9.604  -2.352  -4.328
  367   2HH1  ARG  53          1HH2      ARG  53  10.203  -3.543  -5.420
  368   1HH2  ARG  53          2HH1      ARG  53   9.643  -6.068  -3.041
  369   2HH2  ARG  53          1HH1      ARG  53  10.178  -5.866  -4.669
  370    H    GLU  54           H        GLU  54  10.307  -1.557   3.460
  371    HA   GLU  54           HA       GLU  54   9.323  -4.052   4.002
  372   1HB   GLU  54          1HB       GLU  54  10.957  -3.038   5.308
  373   2HB   GLU  54          2HB       GLU  54  10.133  -1.546   5.444
  374   1HG   GLU  54          1HG       GLU  54   8.591  -3.482   6.944
  375   2HG   GLU  54          2HG       GLU  54  10.301  -3.681   7.346
  376    H    SER  55           H        SER  55   7.823  -1.270   5.593
  377    HA   SER  55           HA       SER  55   5.498  -2.545   6.236
  378   1HB   SER  55          1HB       SER  55   4.382  -0.316   6.488
  379   2HB   SER  55          2HB       SER  55   5.954  -0.481   7.271
  380    HG   SER  55           HG       SER  55   6.902   0.712   5.681
  381    H    CYS  56           H        CYS  56   6.092  -1.088   3.131
  382    HA   CYS  56           HA       CYS  56   3.351  -1.269   2.186
  383   1HB   CYS  56          1HB       CYS  56   5.425   0.158   1.355
  384   2HB   CYS  56          2HB       CYS  56   5.948  -1.295   0.560
  385    H    GLU  57           H        GLU  57   6.246  -3.265   1.882
  386    HA   GLU  57           HA       GLU  57   5.076  -5.220   0.178
  387   1HB   GLU  57          1HB       GLU  57   7.496  -5.343   1.877
  388   2HB   GLU  57          2HB       GLU  57   6.961  -6.661   0.808
  389   1HG   GLU  57          1HG       GLU  57   7.027  -3.848  -0.365
  390   2HG   GLU  57          2HG       GLU  57   8.508  -4.645   0.016
  391    H    ASP  58           H        ASP  58   5.256  -4.791   3.703
  392    HA   ASP  58           HA       ASP  58   4.028  -7.221   4.546
  393   1HB   ASP  58          1HB       ASP  58   5.203  -5.743   6.089
  394   2HB   ASP  58          2HB       ASP  58   4.021  -4.468   5.826
  395    H    ALA  59           H        ALA  59   2.581  -3.986   3.554
  396    HA   ALA  59           HA       ALA  59  -0.091  -4.947   3.903
  397   1HB   ALA  59          1HB       ALA  59   0.462  -2.595   3.499
  398   2HB   ALA  59          2HB       ALA  59   0.850  -2.955   1.798
  399   3HB   ALA  59          3HB       ALA  59  -0.804  -3.182   2.395
  400    H    CYS  60           H        CYS  60   2.061  -5.190   0.991
  401    HA   CYS  60           HA       CYS  60   1.166  -7.742   0.324
  402   1HB   CYS  60          1HB       CYS  60   0.309  -5.490  -1.459
  403   2HB   CYS  60          2HB       CYS  60   0.665  -6.997  -2.105
  404    HA   PRO  61           HA       PRO  61   1.488  -8.805  -1.553
  405   1HB   PRO  61          1HB       PRO  61   2.987 -10.527  -3.048
  406   2HB   PRO  61          2HB       PRO  61   2.404  -8.966  -3.698
  407   1HG   PRO  61          1HG       PRO  61   5.165  -9.639  -2.655
  408   2HG   PRO  61          2HG       PRO  61   4.709  -8.661  -4.078
  409   1HD   PRO  61          1HD       PRO  61   5.321  -7.681  -1.482
  410   2HD   PRO  61          2HD       PRO  61   4.507  -6.759  -2.768
  411    H    VAL  62           H        VAL  62   1.399  -9.428   0.694
  412    HA   VAL  62           HA       VAL  62   3.163 -11.604   1.645
  413    HB   VAL  62           HB       VAL  62   2.405  -8.998   2.916
  414   1HG1  VAL  62          1HG1      VAL  62   3.116 -11.452   4.572
  415   2HG1  VAL  62          2HG1      VAL  62   3.253  -9.768   5.120
  416   3HG1  VAL  62          3HG1      VAL  62   1.674 -10.378   4.732
  417   1HG2  VAL  62          1HG2      VAL  62   4.939 -10.724   2.958
  418   2HG2  VAL  62          2HG2      VAL  62   4.644  -9.406   1.813
  419   3HG2  VAL  62          3HG2      VAL  62   4.796  -9.049   3.528
  420    H    VAL  63           H        VAL  63   1.377 -11.899   3.853
  421    HA   VAL  63           HA       VAL  63  -0.087 -14.026   2.807
  422    HB   VAL  63           HB       VAL  63  -1.195 -12.624   5.209
  423   1HG1  VAL  63          1HG1      VAL  63  -2.288 -14.670   4.381
  424   2HG1  VAL  63          2HG1      VAL  63  -0.771 -15.568   4.611
  425   3HG1  VAL  63          3HG1      VAL  63  -1.624 -14.878   6.010
  426   1HG2  VAL  63          1HG2      VAL  63   1.406 -14.237   5.190
  427   2HG2  VAL  63          2HG2      VAL  63   1.191 -12.553   5.732
  428   3HG2  VAL  63          3HG2      VAL  63   0.476 -13.859   6.657
  429    H    ASP  64           H        ASP  64  -1.998 -14.307   1.985
  430    HA   ASP  64           HA       ASP  64  -3.165 -12.154   0.499
  431   1HB   ASP  64          1HB       ASP  64  -3.088 -14.442  -0.371
  432   2HB   ASP  64          2HB       ASP  64  -4.114 -15.016   0.954
  433    H    HIS  65           H        HIS  65  -5.252 -11.314   0.524
  434    HA   HIS  65           HA       HIS  65  -6.465 -10.832   3.056
  435   1HB   HIS  65          1HB       HIS  65  -7.272 -10.132   0.200
  436   2HB   HIS  65          2HB       HIS  65  -8.197  -9.665   1.625
  437    HD1  HIS  65           1HD      HIS  65  -6.659  -8.251   3.507
  438    HD2  HIS  65           2HD      HIS  65  -5.664  -8.191  -0.596
  439    HE1  HIS  65           1HE      HIS  65  -5.227  -6.078   3.058
  440    HE2  HIS  65           2HE      HIS  65  -4.811  -6.057   0.551
  441    H    HIS  66           H        HIS  66  -8.007 -12.083   0.104
  442    HA   HIS  66           HA       HIS  66  -8.897 -14.575   1.174
  443   1HB   HIS  66          1HB       HIS  66 -10.927 -12.285   1.022
  444   2HB   HIS  66          2HB       HIS  66 -11.409 -13.962   0.871
  445    HD1  HIS  66           1HD      HIS  66  -9.638 -15.140   3.370
  446    HD2  HIS  66           2HD      HIS  66 -12.175 -11.737   3.285
  447    HE1  HIS  66           1HE      HIS  66 -10.386 -14.643   5.806
  448    HE2  HIS  66           2HE      HIS  66 -11.877 -12.688   5.772
  449    H    HIS  67           H        HIS  67  -7.767 -15.024  -0.962
  450    HA   HIS  67           HA       HIS  67  -8.840 -14.024  -3.427
  451   1HB   HIS  67          1HB       HIS  67  -7.152 -16.408  -2.690
  452   2HB   HIS  67          2HB       HIS  67  -7.966 -16.425  -4.249
  453    HD1  HIS  67           1HD      HIS  67  -5.943 -13.622  -2.437
  454    HD2  HIS  67           2HD      HIS  67  -6.179 -15.799  -6.054
  455    HE1  HIS  67           1HE      HIS  67  -4.172 -12.648  -3.949
  456    HE2  HIS  67           2HE      HIS  67  -4.271 -13.980  -6.171
  457    H    HIS  68           H        HIS  68 -11.038 -14.013  -3.489
  458    HA   HIS  68           HA       HIS  68 -12.820 -16.105  -2.865
  459   1HB   HIS  68          1HB       HIS  68 -13.153 -14.116  -5.147
  460   2HB   HIS  68          2HB       HIS  68 -14.431 -14.966  -4.289
  461    HD1  HIS  68           1HD      HIS  68 -13.866 -11.618  -4.466
  462    HD2  HIS  68           2HD      HIS  68 -13.276 -14.291  -1.216
  463    HE1  HIS  68           1HE      HIS  68 -13.806 -10.220  -2.272
  464    HE2  HIS  68           2HE      HIS  68 -13.465 -11.788  -0.391
  465    H    HIS  69           H        HIS  69 -12.327 -18.167  -3.537
  466    HA   HIS  69           HA       HIS  69 -10.975 -18.720  -5.989
  467   1HB   HIS  69          1HB       HIS  69 -11.352 -21.079  -5.450
  468   2HB   HIS  69          2HB       HIS  69 -10.821 -20.205  -4.023
  469    HD1  HIS  69           1HD      HIS  69 -14.095 -21.695  -5.541
  470    HD2  HIS  69           2HD      HIS  69 -12.355 -20.459  -1.864
  471    HE1  HIS  69           1HE      HIS  69 -15.721 -22.378  -3.703
  472    HE2  HIS  69           2HE      HIS  69 -14.666 -21.639  -1.450
  473    H    HIS  70           H        HIS  70 -11.824 -20.120  -7.749
  474    HA   HIS  70           HA       HIS  70 -14.357 -19.104  -8.800
  475   1HB   HIS  70          1HB       HIS  70 -12.347 -19.698 -10.249
  476   2HB   HIS  70          2HB       HIS  70 -12.576 -21.390  -9.785
  477    HD1  HIS  70           1HD      HIS  70 -15.856 -21.154 -10.123
  478    HD2  HIS  70           2HD      HIS  70 -12.769 -20.270 -12.864
  479    HE1  HIS  70           1HE      HIS  70 -16.896 -21.369 -12.505
  480    HE2  HIS  70           2HE      HIS  70 -14.984 -20.821 -14.167
  Start of MODEL   16
    1   1H    GLU   1          1H        GLU   1 -15.326  -4.924   0.543
    2   2H    GLU   1          2H        GLU   1 -13.961  -5.342   1.368
    3   3H    GLU   1          H         GLU   1 -15.228  -6.324   1.421
    4    HA   GLU   1           HA       GLU   1 -14.995  -6.641  -1.042
    5   1HB   GLU   1          1HB       GLU   1 -12.976  -6.227  -2.089
    6   2HB   GLU   1          2HB       GLU   1 -13.508  -4.724  -1.366
    7   1HG   GLU   1          1HG       GLU   1 -11.141  -6.442  -0.634
    8   2HG   GLU   1          2HG       GLU   1 -11.221  -4.714  -1.001
    9    H    ALA   2           H        ALA   2 -12.295  -7.990  -0.928
   10    HA   ALA   2           HA       ALA   2 -13.224 -10.544  -0.214
   11   1HB   ALA   2          1HB       ALA   2 -10.855 -11.225  -0.254
   12   2HB   ALA   2          2HB       ALA   2 -11.226 -10.144  -1.614
   13   3HB   ALA   2          3HB       ALA   2 -10.350  -9.527  -0.189
   14    H    GLU   3           H        GLU   3 -11.968  -8.053   2.018
   15    HA   GLU   3           HA       GLU   3 -12.268 -10.001   4.240
   16   1HB   GLU   3          1HB       GLU   3  -9.933  -8.211   3.554
   17   2HB   GLU   3          2HB       GLU   3 -10.262  -8.583   5.229
   18   1HG   GLU   3          1HG       GLU   3  -9.951 -10.826   3.194
   19   2HG   GLU   3          2HG       GLU   3  -8.560 -10.046   3.947
   20    H    ALA   4           H        ALA   4 -11.818  -6.468   3.588
   21    HA   ALA   4           HA       ALA   4 -13.196  -5.806   6.130
   22   1HB   ALA   4          1HB       ALA   4 -12.500  -3.501   5.574
   23   2HB   ALA   4          2HB       ALA   4 -11.106  -4.598   5.425
   24   3HB   ALA   4          3HB       ALA   4 -11.949  -4.036   3.974
   25    H    GLU   5           H        GLU   5 -14.759  -3.763   5.775
   26    HA   GLU   5           HA       GLU   5 -16.981  -4.613   4.170
   27   1HB   GLU   5          1HB       GLU   5 -16.416  -1.794   5.219
   28   2HB   GLU   5          2HB       GLU   5 -17.944  -2.412   4.597
   29   1HG   GLU   5          1HG       GLU   5 -18.262  -2.559   6.891
   30   2HG   GLU   5          2HG       GLU   5 -17.798  -4.207   6.472
   31    H    PHE   6           H        PHE   6 -14.708  -1.849   3.725
   32    HA   PHE   6           HA       PHE   6 -14.105  -2.567   1.036
   33   1HB   PHE   6          1HB       PHE   6 -16.378  -1.470   0.730
   34   2HB   PHE   6          2HB       PHE   6 -15.671   0.029   1.291
   35    HD1  PHE   6           1HD      PHE   6 -15.739  -2.506  -1.396
   36    HD2  PHE   6           2HD      PHE   6 -13.989   1.224  -0.123
   37    HE1  PHE   6           1HE      PHE   6 -14.821  -2.155  -3.677
   38    HE2  PHE   6           2HE      PHE   6 -13.078   1.570  -2.407
   39    HZ   PHE   6           HZ       PHE   6 -13.487  -0.123  -4.184
   40    H    THR   7           H        THR   7 -12.001  -2.473   1.863
   41    HA   THR   7           HA       THR   7 -10.563  -0.087   1.534
   42    HB   THR   7           HB       THR   7 -10.849  -0.905   4.464
   43    HG1  THR   7           1HG      THR   7 -12.223   0.789   3.338
   44   1HG2  THR   7          1HG2      THR   7  -8.887   1.084   3.214
   45   2HG2  THR   7          2HG2      THR   7  -9.151   0.839   4.954
   46   3HG2  THR   7          3HG2      THR   7  -8.434  -0.449   3.982
   47    H    ASP   8           H        ASP   8  -9.510  -1.600   0.098
   48    HA   ASP   8           HA       ASP   8  -7.625  -3.423   1.465
   49   1HB   ASP   8          1HB       ASP   8  -9.213  -4.708   0.241
   50   2HB   ASP   8          2HB       ASP   8  -8.972  -3.746  -1.224
   51    H    ALA   9           H        ALA   9  -5.897  -2.225   1.576
   52    HA   ALA   9           HA       ALA   9  -5.227  -0.022  -0.128
   53   1HB   ALA   9          1HB       ALA   9  -3.405  -1.672   1.659
   54   2HB   ALA   9          2HB       ALA   9  -3.001  -0.114   0.913
   55   3HB   ALA   9          3HB       ALA   9  -4.294  -0.193   2.122
   56    H    CYS  10           H        CYS  10  -4.710  -3.509  -0.448
   57    HA   CYS  10           HA       CYS  10  -2.436  -3.478  -2.167
   58   1HB   CYS  10          1HB       CYS  10  -3.603  -5.331  -0.696
   59   2HB   CYS  10          2HB       CYS  10  -4.660  -5.530  -2.071
   60    H    VAL  11           H        VAL  11  -5.964  -3.065  -2.635
   61    HA   VAL  11           HA       VAL  11  -5.669  -3.301  -5.592
   62    HB   VAL  11           HB       VAL  11  -8.030  -3.444  -3.685
   63   1HG1  VAL  11          1HG1      VAL  11  -9.424  -4.061  -5.663
   64   2HG1  VAL  11          2HG1      VAL  11  -8.923  -2.373  -5.679
   65   3HG1  VAL  11          3HG1      VAL  11  -8.096  -3.544  -6.731
   66   1HG2  VAL  11          1HG2      VAL  11  -6.592  -5.488  -3.873
   67   2HG2  VAL  11          2HG2      VAL  11  -8.200  -5.753  -4.520
   68   3HG2  VAL  11          3HG2      VAL  11  -6.833  -5.485  -5.630
   69    H    LEU  12           H        LEU  12  -5.290  -0.886  -3.288
   70    HA   LEU  12           HA       LEU  12  -6.981   1.069  -4.711
   71   1HB   LEU  12          1HB       LEU  12  -7.600   1.136  -2.610
   72   2HB   LEU  12          2HB       LEU  12  -6.011   0.696  -1.952
   73    HG   LEU  12           HG       LEU  12  -5.428   3.182  -2.740
   74   1HD1  LEU  12          1HD1      LEU  12  -8.026   3.271  -3.551
   75   2HD1  LEU  12          2HD1      LEU  12  -8.258   3.729  -1.875
   76   3HD1  LEU  12          3HD1      LEU  12  -7.146   4.673  -2.928
   77   1HD2  LEU  12          1HD2      LEU  12  -7.041   2.608  -0.232
   78   2HD2  LEU  12          2HD2      LEU  12  -5.336   2.194  -0.464
   79   3HD2  LEU  12          3HD2      LEU  12  -5.806   3.877  -0.507
   80    HA   PRO  13           HA       PRO  13  -3.195   2.504  -6.480
   81   1HB   PRO  13          1HB       PRO  13  -4.039   4.903  -7.587
   82   2HB   PRO  13          2HB       PRO  13  -4.342   3.291  -8.270
   83   1HG   PRO  13          1HG       PRO  13  -6.192   5.089  -6.724
   84   2HG   PRO  13          2HG       PRO  13  -6.596   3.932  -8.029
   85   1HD   PRO  13          1HD       PRO  13  -6.862   3.533  -5.242
   86   2HD   PRO  13          2HD       PRO  13  -6.941   2.232  -6.437
   87    H    ALA  14           H        ALA  14  -1.840   4.413  -6.533
   88    HA   ALA  14           HA       ALA  14  -1.362   5.501  -3.840
   89   1HB   ALA  14          1HB       ALA  14   0.523   4.817  -5.321
   90   2HB   ALA  14          2HB       ALA  14   0.003   6.014  -6.537
   91   3HB   ALA  14          3HB       ALA  14   0.586   6.547  -4.953
   92    H    VAL  15           H        VAL  15  -1.692   7.748  -3.290
   93    HA   VAL  15           HA       VAL  15  -2.911   9.501  -5.335
   94    HB   VAL  15           HB       VAL  15  -4.030   9.007  -2.560
   95   1HG1  VAL  15          1HG1      VAL  15  -5.865  10.541  -3.206
   96   2HG1  VAL  15          2HG1      VAL  15  -4.313  11.343  -3.068
   97   3HG1  VAL  15          3HG1      VAL  15  -4.972  10.962  -4.685
   98   1HG2  VAL  15          1HG2      VAL  15  -6.118   8.310  -3.838
   99   2HG2  VAL  15          2HG2      VAL  15  -5.156   8.366  -5.325
  100   3HG2  VAL  15          3HG2      VAL  15  -4.757   7.205  -4.039
  101    H    GLN  16           H        GLN  16  -2.314  11.539  -5.093
  102    HA   GLN  16           HA       GLN  16  -0.066  12.191  -3.321
  103   1HB   GLN  16          1HB       GLN  16  -1.388  13.617  -5.640
  104   2HB   GLN  16          2HB       GLN  16  -0.349  14.509  -4.515
  105   1HG   GLN  16          1HG       GLN  16   1.501  13.063  -4.894
  106   2HG   GLN  16          2HG       GLN  16   0.542  11.922  -5.850
  107   1HE2  GLN  16          1HE2      GLN  16   2.389  14.976  -5.931
  108   2HE2  GLN  16          2HE2      GLN  16   2.333  15.038  -7.678
  109    H    GLY  17           H        GLY  17  -3.306  13.677  -3.911
  110   1HA   GLY  17          1HA       GLY  17  -4.755  14.046  -1.942
  111   2HA   GLY  17          2HA       GLY  17  -3.287  14.603  -1.114
  112    HA   PRO  18           HA       PRO  18  -5.299  18.065  -3.565
  113   1HB   PRO  18          1HB       PRO  18  -6.237  19.705  -1.577
  114   2HB   PRO  18          2HB       PRO  18  -7.131  18.276  -2.171
  115   1HG   PRO  18          1HG       PRO  18  -5.353  18.469   0.280
  116   2HG   PRO  18          2HG       PRO  18  -7.000  17.778   0.161
  117   1HD   PRO  18          1HD       PRO  18  -4.767  16.209   0.041
  118   2HD   PRO  18          2HD       PRO  18  -6.218  15.842  -0.927
  119    H    CYS  19           H        CYS  19  -2.814  17.973  -1.127
  120    HA   CYS  19           HA       CYS  19  -2.137  20.778  -1.251
  121   1HB   CYS  19          1HB       CYS  19  -0.641  18.428  -0.036
  122   2HB   CYS  19          2HB       CYS  19  -0.244  20.133   0.205
  123    H    ARG  20           H        ARG  20   0.408  21.175  -1.467
  124    HA   ARG  20           HA       ARG  20   1.382  20.014  -4.015
  125   1HB   ARG  20          1HB       ARG  20   0.974  22.942  -3.377
  126   2HB   ARG  20          2HB       ARG  20   2.234  22.407  -4.471
  127   1HG   ARG  20          1HG       ARG  20   0.796  22.265  -6.153
  128   2HG   ARG  20          2HG       ARG  20  -0.105  21.005  -5.341
  129   1HD   ARG  20          1HD       ARG  20  -0.565  23.985  -4.955
  130   2HD   ARG  20          2HD       ARG  20  -1.435  22.985  -6.119
  131    HE   ARG  20           HE       ARG  20  -2.190  21.588  -4.154
  132   1HH1  ARG  20          2HH2      ARG  20  -1.627  25.083  -3.834
  133   2HH1  ARG  20          1HH2      ARG  20  -2.864  25.323  -2.652
  134   1HH2  ARG  20          2HH1      ARG  20  -3.853  21.909  -2.669
  135   2HH2  ARG  20          1HH1      ARG  20  -4.165  23.437  -1.924
  136    H    GLY  21           H        GLY  21   1.982  19.977  -1.025
  137   1HA   GLY  21          1HA       GLY  21   4.909  20.608  -1.014
  138   2HA   GLY  21          2HA       GLY  21   3.936  20.084   0.406
  139    H    TRP  22           H        TRP  22   6.302  18.413  -0.604
  140    HA   TRP  22           HA       TRP  22   4.844  16.137  -1.684
  141   1HB   TRP  22          1HB       TRP  22   7.450  17.270  -2.741
  142   2HB   TRP  22          2HB       TRP  22   6.738  15.753  -3.231
  143    HD1  TRP  22           HD       TRP  22   7.289  18.790  -4.717
  144    HE1  TRP  22           1HE      TRP  22   5.462  19.723  -6.232
  145    HE3  TRP  22           3HE      TRP  22   3.362  15.845  -3.213
  146    HZ2  TRP  22           2HZ      TRP  22   2.639  19.312  -6.696
  147    HZ3  TRP  22           3HZ      TRP  22   1.102  16.229  -4.126
  148    HH2  TRP  22           HH       TRP  22   0.723  17.936  -5.877
  149    H    GLU  23           H        GLU  23   5.241  14.545  -0.668
  150    HA   GLU  23           HA       GLU  23   7.431  14.117   1.311
  151   1HB   GLU  23          1HB       GLU  23   5.410  14.821   2.413
  152   2HB   GLU  23          2HB       GLU  23   4.404  13.810   1.385
  153   1HG   GLU  23          1HG       GLU  23   4.346  12.789   3.426
  154   2HG   GLU  23          2HG       GLU  23   5.376  11.784   2.428
  155    HA   PRO  24           HA       PRO  24   7.639  10.371  -1.522
  156   1HB   PRO  24          1HB       PRO  24   9.825   9.212  -0.431
  157   2HB   PRO  24          2HB       PRO  24   9.939  10.662  -1.473
  158   1HG   PRO  24          1HG       PRO  24   9.977  10.539   1.558
  159   2HG   PRO  24          2HG       PRO  24  11.089  11.433   0.472
  160   1HD   PRO  24          1HD       PRO  24   8.956  12.615   1.690
  161   2HD   PRO  24          2HD       PRO  24   9.473  13.101   0.048
  162    H    ARG  25           H        ARG  25   6.606   8.594  -1.340
  163    HA   ARG  25           HA       ARG  25   6.486   7.109   1.209
  164   1HB   ARG  25          1HB       ARG  25   4.099   8.034  -0.455
  165   2HB   ARG  25          2HB       ARG  25   3.980   6.659   0.649
  166   1HG   ARG  25          1HG       ARG  25   4.767   9.470   1.486
  167   2HG   ARG  25          2HG       ARG  25   3.163   8.753   1.623
  168   1HD   ARG  25          1HD       ARG  25   4.028   6.993   3.106
  169   2HD   ARG  25          2HD       ARG  25   5.655   7.669   3.011
  170    HE   ARG  25           HE       ARG  25   3.279   8.760   4.333
  171   1HH1  ARG  25          2HH2      ARG  25   6.675   9.383   3.327
  172   2HH1  ARG  25          1HH2      ARG  25   6.916  10.686   4.368
  173   1HH2  ARG  25          2HH1      ARG  25   3.615  10.710   5.657
  174   2HH2  ARG  25          1HH1      ARG  25   5.164  11.469   5.652
  175    H    TRP  26           H        TRP  26   5.281   4.983   0.654
  176    HA   TRP  26           HA       TRP  26   6.313   3.841  -1.881
  177   1HB   TRP  26          1HB       TRP  26   6.257   2.807   0.994
  178   2HB   TRP  26          2HB       TRP  26   6.408   1.736  -0.389
  179    HD1  TRP  26           HD       TRP  26   8.344   4.616   1.339
  180    HE1  TRP  26           1HE      TRP  26  10.825   4.402   0.750
  181    HE3  TRP  26           3HE      TRP  26   8.059   0.566  -1.682
  182    HZ2  TRP  26           2HZ      TRP  26  12.469   2.745  -1.046
  183    HZ3  TRP  26           3HZ      TRP  26   9.975  -0.056  -3.171
  184    HH2  TRP  26           HH       TRP  26  12.199   0.894  -2.724
  185    H    ALA  27           H        ALA  27   4.719   2.631  -2.989
  186    HA   ALA  27           HA       ALA  27   2.215   2.016  -1.554
  187   1HB   ALA  27          1HB       ALA  27   0.895   2.604  -3.633
  188   2HB   ALA  27          2HB       ALA  27   1.464   3.981  -2.708
  189   3HB   ALA  27          3HB       ALA  27   2.304   3.496  -4.219
  190    H    TYR  28           H        TYR  28   1.247   0.173  -2.268
  191    HA   TYR  28           HA       TYR  28   2.950  -1.650  -3.799
  192   1HB   TYR  28          1HB       TYR  28   1.672  -2.489  -1.847
  193   2HB   TYR  28          2HB       TYR  28   0.166  -1.986  -2.596
  194    HD1  TYR  28           1HD      TYR  28  -1.020  -3.452  -4.005
  195    HD2  TYR  28           2HD      TYR  28   3.141  -4.252  -3.185
  196    HE1  TYR  28           1HE      TYR  28  -1.222  -5.604  -5.147
  197    HE2  TYR  28           2HE      TYR  28   2.970  -6.385  -4.437
  198    HH   TYR  28           HH       TYR  28  -0.128  -7.681  -5.542
  199    H    SER  29           H        SER  29   2.549  -2.413  -5.857
  200    HA   SER  29           HA       SER  29   0.267  -1.259  -7.360
  201   1HB   SER  29          1HB       SER  29   3.190  -1.540  -8.033
  202   2HB   SER  29          2HB       SER  29   2.037  -1.343  -9.314
  203    HG   SER  29           HG       SER  29   1.695   0.252  -7.071
  204    HA   PRO  30           HA       PRO  30  -0.254  -5.779  -7.586
  205   1HB   PRO  30          1HB       PRO  30  -2.759  -5.775  -8.767
  206   2HB   PRO  30          2HB       PRO  30  -2.482  -5.621  -7.011
  207   1HG   PRO  30          1HG       PRO  30  -3.005  -3.432  -9.024
  208   2HG   PRO  30          2HG       PRO  30  -3.686  -3.620  -7.379
  209   1HD   PRO  30          1HD       PRO  30  -1.614  -1.943  -7.918
  210   2HD   PRO  30          2HD       PRO  30  -1.704  -2.834  -6.371
  211    H    LEU  31           H        LEU  31  -0.813  -3.362 -10.110
  212    HA   LEU  31           HA       LEU  31  -0.532  -5.060 -12.388
  213   1HB   LEU  31          1HB       LEU  31  -0.334  -2.098 -11.919
  214   2HB   LEU  31          2HB       LEU  31   0.084  -2.783 -13.486
  215    HG   LEU  31           HG       LEU  31  -2.570  -3.406 -12.134
  216   1HD1  LEU  31          1HD1      LEU  31  -2.370  -0.990 -12.434
  217   2HD1  LEU  31          2HD1      LEU  31  -1.916  -1.226 -14.143
  218   3HD1  LEU  31          3HD1      LEU  31  -3.544  -1.677 -13.574
  219   1HD2  LEU  31          1HD2      LEU  31  -1.643  -3.608 -15.045
  220   2HD2  LEU  31          2HD2      LEU  31  -1.972  -4.973 -13.963
  221   3HD2  LEU  31          3HD2      LEU  31  -3.292  -3.921 -14.466
  222    H    LEU  32           H        LEU  32   1.839  -4.031 -10.087
  223    HA   LEU  32           HA       LEU  32   4.047  -4.810 -11.936
  224   1HB   LEU  32          1HB       LEU  32   3.810  -2.909  -9.608
  225   2HB   LEU  32          2HB       LEU  32   5.371  -3.533 -10.046
  226    HG   LEU  32           HG       LEU  32   3.606  -2.076 -12.053
  227   1HD1  LEU  32          1HD1      LEU  32   4.132  -0.530 -10.241
  228   2HD1  LEU  32          2HD1      LEU  32   5.859  -0.973 -10.320
  229   3HD1  LEU  32          3HD1      LEU  32   5.082  -0.114 -11.670
  230   1HD2  LEU  32          1HD2      LEU  32   5.338  -3.487 -13.095
  231   2HD2  LEU  32          2HD2      LEU  32   5.744  -1.786 -13.295
  232   3HD2  LEU  32          3HD2      LEU  32   6.587  -2.759 -12.066
  233    H    GLN  33           H        GLN  33   2.036  -5.850  -9.496
  234    HA   GLN  33           HA       GLN  33   2.021  -7.174  -7.769
  235   1HB   GLN  33          1HB       GLN  33   2.442  -8.672  -9.810
  236   2HB   GLN  33          2HB       GLN  33   4.103  -8.826  -9.232
  237   1HG   GLN  33          1HG       GLN  33   2.370  -9.263  -6.986
  238   2HG   GLN  33          2HG       GLN  33   1.653 -10.137  -8.327
  239   1HE2  GLN  33          1HE2      GLN  33   4.890  -9.642  -6.812
  240   2HE2  GLN  33          2HE2      GLN  33   5.371 -11.345  -6.988
  241    H    GLN  34           H        GLN  34   3.632  -4.917  -7.353
  242    HA   GLN  34           HA       GLN  34   5.452  -5.811  -5.272
  243   1HB   GLN  34          1HB       GLN  34   6.662  -6.062  -7.651
  244   2HB   GLN  34          2HB       GLN  34   6.700  -4.303  -7.592
  245   1HG   GLN  34          1HG       GLN  34   8.813  -5.245  -6.945
  246   2HG   GLN  34          2HG       GLN  34   8.116  -4.356  -5.609
  247   1HE2  GLN  34          1HE2      GLN  34   6.623  -7.582  -6.034
  248   2HE2  GLN  34          2HE2      GLN  34   7.604  -8.295  -4.764
  249    H    CYS  35           H        CYS  35   6.624  -3.885  -4.373
  250    HA   CYS  35           HA       CYS  35   4.848  -1.501  -4.380
  251   1HB   CYS  35          1HB       CYS  35   6.940  -2.544  -2.454
  252   2HB   CYS  35          2HB       CYS  35   6.379  -0.883  -2.407
  253    H    HIS  36           H        HIS  36   5.700   0.517  -4.461
  254    HA   HIS  36           HA       HIS  36   8.530   0.858  -5.207
  255   1HB   HIS  36          1HB       HIS  36   8.151   2.016  -7.312
  256   2HB   HIS  36          2HB       HIS  36   7.506   0.389  -7.393
  257    HD1  HIS  36           1HD      HIS  36   6.242   4.043  -6.985
  258    HD2  HIS  36           2HD      HIS  36   4.829   0.152  -8.023
  259    HE1  HIS  36           1HE      HIS  36   3.839   4.298  -7.836
  260    HE2  HIS  36           2HE      HIS  36   3.032   1.870  -8.413
  261    HA   PRO  37           HA       PRO  37   7.951   4.726  -3.060
  262   1HB   PRO  37          1HB       PRO  37   9.766   6.015  -5.088
  263   2HB   PRO  37          2HB       PRO  37   9.893   6.025  -3.304
  264   1HG   PRO  37          1HG       PRO  37  11.513   4.460  -4.856
  265   2HG   PRO  37          2HG       PRO  37  10.882   3.898  -3.281
  266   1HD   PRO  37          1HD       PRO  37   9.912   3.184  -6.046
  267   2HD   PRO  37          2HD       PRO  37  10.083   2.164  -4.606
  268    H    PHE  38           H        PHE  38   7.030   7.081  -3.439
  269    HA   PHE  38           HA       PHE  38   6.419   7.835  -6.108
  270   1HB   PHE  38          1HB       PHE  38   4.086   7.693  -6.177
  271   2HB   PHE  38          2HB       PHE  38   4.593   6.093  -5.708
  272    HD1  PHE  38           1HD      PHE  38   4.464   5.503  -3.131
  273    HD2  PHE  38           2HD      PHE  38   2.423   8.811  -4.985
  274    HE1  PHE  38           1HE      PHE  38   2.792   5.561  -1.271
  275    HE2  PHE  38           2HE      PHE  38   0.851   8.911  -3.101
  276    HZ   PHE  38           HZ       PHE  38   1.004   7.244  -1.243
  277    H    VAL  39           H        VAL  39   5.052   9.930  -5.984
  278    HA   VAL  39           HA       VAL  39   6.023  11.539  -3.709
  279    HB   VAL  39           HB       VAL  39   4.665  12.349  -6.345
  280   1HG1  VAL  39          1HG1      VAL  39   5.878  13.972  -4.083
  281   2HG1  VAL  39          2HG1      VAL  39   5.423  14.646  -5.668
  282   3HG1  VAL  39          3HG1      VAL  39   4.185  13.971  -4.602
  283   1HG2  VAL  39          1HG2      VAL  39   6.918  13.247  -6.923
  284   2HG2  VAL  39          2HG2      VAL  39   7.583  12.539  -5.437
  285   3HG2  VAL  39          3HG2      VAL  39   6.963  11.492  -6.732
  286    H    TYR  40           H        TYR  40   4.648  11.918  -2.042
  287    HA   TYR  40           HA       TYR  40   1.728  11.739  -2.446
  288   1HB   TYR  40          1HB       TYR  40   2.214   9.901  -1.120
  289   2HB   TYR  40          2HB       TYR  40   3.557  10.666  -0.324
  290    HD1  TYR  40           1HD      TYR  40   3.330  11.246   1.856
  291    HD2  TYR  40           2HD      TYR  40  -0.204  11.188  -0.610
  292    HE1  TYR  40           1HE      TYR  40   1.947  11.732   3.846
  293    HE2  TYR  40           2HE      TYR  40  -1.571  11.779   1.368
  294    HH   TYR  40           HH       TYR  40  -1.395  12.592   3.607
  295    H    GLY  41           H        GLY  41   0.599  13.377  -0.918
  296   1HA   GLY  41          1HA       GLY  41   2.120  15.879  -1.108
  297   2HA   GLY  41          2HA       GLY  41   0.390  15.699  -1.039
  298    H    GLY  42           H        GLY  42   1.608  13.733   1.383
  299   1HA   GLY  42          1HA       GLY  42   2.102  13.915   3.591
  300   2HA   GLY  42          2HA       GLY  42   2.371  15.642   3.415
  301    H    CYS  43           H        CYS  43  -0.340  16.108   2.361
  302    HA   CYS  43           HA       CYS  43  -1.964  15.966   4.806
  303   1HB   CYS  43          1HB       CYS  43  -3.236  17.700   3.902
  304   2HB   CYS  43          2HB       CYS  43  -1.571  18.098   3.568
  305    H    GLU  44           H        GLU  44  -4.497  15.849   3.779
  306    HA   GLU  44           HA       GLU  44  -5.299  13.337   3.943
  307   1HB   GLU  44          1HB       GLU  44  -6.524  15.181   1.877
  308   2HB   GLU  44          2HB       GLU  44  -7.275  13.817   2.699
  309   1HG   GLU  44          1HG       GLU  44  -8.111  15.584   3.888
  310   2HG   GLU  44          2HG       GLU  44  -6.770  15.091   4.908
  311    H    GLY  45           H        GLY  45  -5.318  11.395   2.811
  312   1HA   GLY  45          1HA       GLY  45  -5.179  11.146  -0.018
  313   2HA   GLY  45          2HA       GLY  45  -3.630  10.742   0.748
  314    H    ASN  46           H        ASN  46  -4.696   8.599  -0.370
  315    HA   ASN  46           HA       ASN  46  -6.629   7.353   1.461
  316   1HB   ASN  46          1HB       ASN  46  -5.575   6.120  -1.082
  317   2HB   ASN  46          2HB       ASN  46  -6.990   5.673  -0.144
  318   1HD2  ASN  46          1HD2      ASN  46  -8.464   5.800  -1.928
  319   2HD2  ASN  46          2HD2      ASN  46  -8.925   7.403  -2.487
  320    H    GLY  47           H        GLY  47  -6.212   4.821   1.447
  321   1HA   GLY  47          1HA       GLY  47  -4.228   4.509   3.517
  322   2HA   GLY  47          2HA       GLY  47  -5.347   3.280   2.941
  323    H    ASN  48           H        ASN  48  -3.705   4.042   0.128
  324    HA   ASN  48           HA       ASN  48  -1.734   1.861   0.645
  325   1HB   ASN  48          1HB       ASN  48  -3.162   1.626  -1.376
  326   2HB   ASN  48          2HB       ASN  48  -2.484   3.130  -2.009
  327   1HD2  ASN  48          1HD2      ASN  48  -2.165   1.042  -3.588
  328   2HD2  ASN  48          2HD2      ASN  48  -0.562   0.365  -3.585
  329    H    ASN  49           H        ASN  49  -0.665   3.278   2.141
  330    HA   ASN  49           HA       ASN  49   1.200   5.195   0.875
  331   1HB   ASN  49          1HB       ASN  49  -0.923   6.399   1.599
  332   2HB   ASN  49          2HB       ASN  49  -0.631   5.860   3.240
  333   1HD2  ASN  49          1HD2      ASN  49  -0.278   8.410   1.177
  334   2HD2  ASN  49          2HD2      ASN  49   0.966   9.293   2.007
  335    H    PHE  50           H        PHE  50   3.051   4.174   1.499
  336    HA   PHE  50           HA       PHE  50   3.320   3.209   4.296
  337   1HB   PHE  50          1HB       PHE  50   4.379   2.030   1.696
  338   2HB   PHE  50          2HB       PHE  50   4.829   1.442   3.238
  339    HD1  PHE  50           1HD      PHE  50   2.266   1.321   0.673
  340    HD2  PHE  50           2HD      PHE  50   2.903   0.766   4.907
  341    HE1  PHE  50           1HE      PHE  50   0.035   0.261   0.890
  342    HE2  PHE  50           2HE      PHE  50   0.653  -0.227   5.112
  343    HZ   PHE  50           HZ       PHE  50  -0.814  -0.422   3.109
  344    H    HIS  51           H        HIS  51   5.422   3.315   5.189
  345    HA   HIS  51           HA       HIS  51   6.753   5.864   4.325
  346   1HB   HIS  51          1HB       HIS  51   6.725   4.258   6.922
  347   2HB   HIS  51          2HB       HIS  51   7.857   5.552   6.616
  348    HD1  HIS  51           1HD      HIS  51   7.010   7.995   7.073
  349    HD2  HIS  51           2HD      HIS  51   3.975   5.046   6.880
  350    HE1  HIS  51           1HE      HIS  51   4.834   9.128   7.846
  351    HE2  HIS  51           2HE      HIS  51   2.980   7.313   7.700
  352    H    SER  52           H        SER  52   7.139   2.506   3.900
  353    HA   SER  52           HA       SER  52   9.973   2.807   3.258
  354   1HB   SER  52          1HB       SER  52  10.356   0.780   4.916
  355   2HB   SER  52          2HB       SER  52  10.293   2.424   5.574
  356    HG   SER  52           HG       SER  52   8.860   0.586   6.560
  357    H    ARG  53           H        ARG  53  10.825   0.790   2.495
  358    HA   ARG  53           HA       ARG  53   9.333  -0.594   0.488
  359   1HB   ARG  53          1HB       ARG  53  11.719  -0.131   0.476
  360   2HB   ARG  53          2HB       ARG  53  11.955  -1.112   1.911
  361   1HG   ARG  53          1HG       ARG  53  12.678  -2.126  -0.129
  362   2HG   ARG  53          2HG       ARG  53  11.503  -3.137   0.701
  363   1HD   ARG  53          1HD       ARG  53   9.816  -2.447  -0.989
  364   2HD   ARG  53          2HD       ARG  53  10.923  -1.288  -1.643
  365    HE   ARG  53           HE       ARG  53  12.445  -3.253  -2.189
  366   1HH1  ARG  53          2HH2      ARG  53   9.243  -4.141  -1.632
  367   2HH1  ARG  53          1HH2      ARG  53   9.077  -5.228  -2.928
  368   1HH2  ARG  53          2HH1      ARG  53  12.386  -5.101  -3.683
  369   2HH2  ARG  53          1HH1      ARG  53  10.825  -5.811  -3.988
  370    H    GLU  54           H        GLU  54  10.601  -1.613   3.629
  371    HA   GLU  54           HA       GLU  54   9.538  -4.036   4.189
  372   1HB   GLU  54          1HB       GLU  54  11.111  -3.040   5.557
  373   2HB   GLU  54          2HB       GLU  54  10.339  -1.519   5.625
  374   1HG   GLU  54          1HG       GLU  54   8.704  -3.475   7.072
  375   2HG   GLU  54          2HG       GLU  54  10.389  -3.568   7.592
  376    H    SER  55           H        SER  55   8.007  -1.199   5.625
  377    HA   SER  55           HA       SER  55   5.641  -2.433   6.228
  378   1HB   SER  55          1HB       SER  55   4.497  -0.239   6.371
  379   2HB   SER  55          2HB       SER  55   6.055  -0.317   7.190
  380    HG   SER  55           HG       SER  55   6.980   0.903   5.662
  381    H    CYS  56           H        CYS  56   6.379  -1.154   3.064
  382    HA   CYS  56           HA       CYS  56   3.684  -1.386   2.029
  383   1HB   CYS  56          1HB       CYS  56   5.817  -0.059   1.166
  384   2HB   CYS  56          2HB       CYS  56   6.278  -1.569   0.438
  385    H    GLU  57           H        GLU  57   6.577  -3.451   1.949
  386    HA   GLU  57           HA       GLU  57   5.266  -5.623   0.572
  387   1HB   GLU  57          1HB       GLU  57   7.813  -5.416   2.135
  388   2HB   GLU  57          2HB       GLU  57   7.177  -7.015   1.682
  389   1HG   GLU  57          1HG       GLU  57   7.217  -6.553  -0.629
  390   2HG   GLU  57          2HG       GLU  57   7.289  -4.811  -0.399
  391    H    ASP  58           H        ASP  58   5.411  -4.744   4.010
  392    HA   ASP  58           HA       ASP  58   4.079  -7.114   4.931
  393   1HB   ASP  58          1HB       ASP  58   4.933  -5.669   6.643
  394   2HB   ASP  58          2HB       ASP  58   4.023  -4.282   6.040
  395    H    ALA  59           H        ALA  59   2.792  -3.979   3.544
  396    HA   ALA  59           HA       ALA  59   0.075  -4.832   3.843
  397   1HB   ALA  59          1HB       ALA  59  -0.484  -3.070   2.264
  398   2HB   ALA  59          2HB       ALA  59   0.730  -2.519   3.445
  399   3HB   ALA  59          3HB       ALA  59   1.216  -2.904   1.781
  400    H    CYS  60           H        CYS  60   2.170  -4.957   0.882
  401    HA   CYS  60           HA       CYS  60   1.156  -7.488   0.233
  402   1HB   CYS  60          1HB       CYS  60   0.291  -5.162  -1.421
  403   2HB   CYS  60          2HB       CYS  60   0.611  -6.607  -2.221
  404    HA   PRO  61           HA       PRO  61   1.182  -8.426  -2.363
  405   1HB   PRO  61          1HB       PRO  61   2.526 -10.603  -3.316
  406   2HB   PRO  61          2HB       PRO  61   2.524  -9.018  -4.143
  407   1HG   PRO  61          1HG       PRO  61   4.635 -10.125  -2.266
  408   2HG   PRO  61          2HG       PRO  61   4.867  -9.369  -3.874
  409   1HD   PRO  61          1HD       PRO  61   5.123  -7.977  -1.514
  410   2HD   PRO  61          2HD       PRO  61   4.519  -7.211  -3.006
  411    H    VAL  62           H        VAL  62  -0.012  -9.022  -0.705
  412    HA   VAL  62           HA       VAL  62   0.180 -11.515   0.667
  413    HB   VAL  62           HB       VAL  62  -0.129  -9.055   2.416
  414   1HG1  VAL  62          1HG1      VAL  62   0.704 -11.938   3.001
  415   2HG1  VAL  62          2HG1      VAL  62   0.537 -10.661   4.215
  416   3HG1  VAL  62          3HG1      VAL  62  -0.883 -11.245   3.367
  417   1HG2  VAL  62          1HG2      VAL  62   2.197  -8.785   1.647
  418   2HG2  VAL  62          2HG2      VAL  62   2.173  -9.322   3.303
  419   3HG2  VAL  62          3HG2      VAL  62   2.537 -10.488   2.016
  420    H    VAL  63           H        VAL  63  -1.988 -10.658   2.318
  421    HA   VAL  63           HA       VAL  63  -4.075  -9.851   0.344
  422    HB   VAL  63           HB       VAL  63  -4.445 -11.697   2.717
  423   1HG1  VAL  63          1HG1      VAL  63  -6.531 -10.536   2.247
  424   2HG1  VAL  63          2HG1      VAL  63  -6.372 -10.863   0.502
  425   3HG1  VAL  63          3HG1      VAL  63  -6.673 -12.181   1.656
  426   1HG2  VAL  63          1HG2      VAL  63  -4.835 -13.484   0.999
  427   2HG2  VAL  63          2HG2      VAL  63  -4.316 -12.343  -0.262
  428   3HG2  VAL  63          3HG2      VAL  63  -3.176 -12.891   0.984
  429    H    ASP  64           H        ASP  64  -5.834  -8.544   1.376
  430    HA   ASP  64           HA       ASP  64  -4.807  -6.299   2.584
  431   1HB   ASP  64          1HB       ASP  64  -7.093  -6.288   1.624
  432   2HB   ASP  64          2HB       ASP  64  -7.672  -7.278   2.970
  433    H    HIS  65           H        HIS  65  -4.251  -5.708   4.618
  434    HA   HIS  65           HA       HIS  65  -4.457  -7.602   6.754
  435   1HB   HIS  65          1HB       HIS  65  -3.316  -4.797   6.540
  436   2HB   HIS  65          2HB       HIS  65  -3.388  -5.699   8.054
  437    HD1  HIS  65           1HD      HIS  65  -2.497  -7.720   4.821
  438    HD2  HIS  65           2HD      HIS  65  -0.588  -5.708   8.075
  439    HE1  HIS  65           1HE      HIS  65  -0.049  -8.383   4.846
  440    HE2  HIS  65           2HE      HIS  65   1.065  -7.186   6.816
  441    H    HIS  66           H        HIS  66  -6.556  -7.870   6.657
  442    HA   HIS  66           HA       HIS  66  -8.764  -6.903   6.322
  443   1HB   HIS  66          1HB       HIS  66  -8.092  -9.053   7.469
  444   2HB   HIS  66          2HB       HIS  66  -8.274  -8.248   9.013
  445    HD1  HIS  66           1HD      HIS  66  -9.850 -10.777   7.666
  446    HD2  HIS  66           2HD      HIS  66 -11.228  -6.926   7.413
  447    HE1  HIS  66           1HE      HIS  66 -12.254 -10.997   7.407
  448    HE2  HIS  66           2HE      HIS  66 -13.093  -8.681   7.055
  449    H    HIS  67           H        HIS  67  -8.631  -4.675   6.397
  450    HA   HIS  67           HA       HIS  67  -8.855  -3.033   8.739
  451   1HB   HIS  67          1HB       HIS  67  -9.725  -2.495   5.864
  452   2HB   HIS  67          2HB       HIS  67  -9.529  -1.270   7.107
  453    HD1  HIS  67           1HD      HIS  67  -7.449  -3.386   4.664
  454    HD2  HIS  67           2HD      HIS  67  -6.959  -0.686   7.913
  455    HE1  HIS  67           1HE      HIS  67  -5.087  -2.648   4.591
  456    HE2  HIS  67           2HE      HIS  67  -4.701  -1.017   6.578
  457    H    HIS  68           H        HIS  68 -10.800  -5.081   9.185
  458    HA   HIS  68           HA       HIS  68 -13.422  -4.203   8.248
  459   1HB   HIS  68          1HB       HIS  68 -14.374  -5.767   9.887
  460   2HB   HIS  68          2HB       HIS  68 -13.196  -6.536   8.865
  461    HD1  HIS  68           1HD      HIS  68 -13.042  -4.787  12.372
  462    HD2  HIS  68           2HD      HIS  68 -11.678  -8.200  10.259
  463    HE1  HIS  68           1HE      HIS  68 -11.618  -6.160  14.009
  464    HE2  HIS  68           2HE      HIS  68 -10.780  -8.234  12.698
  465    H    HIS  69           H        HIS  69 -15.078  -3.276   9.516
  466    HA   HIS  69           HA       HIS  69 -14.514  -1.073  11.061
  467   1HB   HIS  69          1HB       HIS  69 -16.850  -2.401  10.194
  468   2HB   HIS  69          2HB       HIS  69 -17.029  -2.408  11.922
  469    HD1  HIS  69           1HD      HIS  69 -17.381   0.099  13.111
  470    HD2  HIS  69           2HD      HIS  69 -16.901  -0.076   8.885
  471    HE1  HIS  69           1HE      HIS  69 -18.132   2.351  12.199
  472    HE2  HIS  69           2HE      HIS  69 -17.828   2.260   9.612
  473    H    HIS  70           H        HIS  70 -15.391  -0.680  13.325
  474    HA   HIS  70           HA       HIS  70 -14.922  -2.641  15.364
  475   1HB   HIS  70          1HB       HIS  70 -12.712  -1.395  15.073
  476   2HB   HIS  70          2HB       HIS  70 -13.587   0.114  15.354
  477    HD1  HIS  70           1HD      HIS  70 -15.350  -1.134  17.813
  478    HD2  HIS  70           2HD      HIS  70 -11.164  -1.121  17.267
  479    HE1  HIS  70           1HE      HIS  70 -14.297  -1.338  20.187
  480    HE2  HIS  70           2HE      HIS  70 -11.731  -1.330  19.829
  Start of MODEL   17
    1   1H    GLU   1          1H        GLU   1  -2.851  -8.587  -7.199
    2   2H    GLU   1          2H        GLU   1  -3.024  -7.982  -8.737
    3   3H    GLU   1          H         GLU   1  -2.642  -9.554  -8.536
    4    HA   GLU   1           HA       GLU   1  -5.090  -8.511  -7.384
    5   1HB   GLU   1          1HB       GLU   1  -4.775  -9.378 -10.290
    6   2HB   GLU   1          2HB       GLU   1  -6.303  -9.346  -9.424
    7   1HG   GLU   1          1HG       GLU   1  -6.265  -7.372 -10.672
    8   2HG   GLU   1          2HG       GLU   1  -6.038  -6.918  -8.986
    9    H    ALA   2           H        ALA   2  -4.270 -10.034  -5.838
   10    HA   ALA   2           HA       ALA   2  -5.689 -12.542  -5.954
   11   1HB   ALA   2          1HB       ALA   2  -2.649 -12.601  -5.596
   12   2HB   ALA   2          2HB       ALA   2  -3.750 -13.974  -5.357
   13   3HB   ALA   2          3HB       ALA   2  -3.544 -13.284  -6.979
   14    H    GLU   3           H        GLU   3  -4.460  -9.820  -4.418
   15    HA   GLU   3           HA       GLU   3  -4.012 -10.787  -1.736
   16   1HB   GLU   3          1HB       GLU   3  -4.202  -7.903  -2.685
   17   2HB   GLU   3          2HB       GLU   3  -3.214  -8.600  -1.419
   18   1HG   GLU   3          1HG       GLU   3  -1.635  -8.048  -3.022
   19   2HG   GLU   3          2HG       GLU   3  -1.883  -9.751  -3.356
   20    H    ALA   4           H        ALA   4  -6.540  -9.488  -3.670
   21    HA   ALA   4           HA       ALA   4  -8.006  -7.970  -1.782
   22   1HB   ALA   4          1HB       ALA   4  -8.852  -9.143  -4.460
   23   2HB   ALA   4          2HB       ALA   4  -9.653  -7.824  -3.584
   24   3HB   ALA   4          3HB       ALA   4  -8.013  -7.597  -4.227
   25    H    GLU   5           H        GLU   5  -8.167  -9.663   0.035
   26    HA   GLU   5           HA       GLU   5 -10.138 -11.767  -0.166
   27   1HB   GLU   5          1HB       GLU   5  -9.448  -9.928   2.165
   28   2HB   GLU   5          2HB       GLU   5 -10.481 -11.342   2.321
   29   1HG   GLU   5          1HG       GLU   5  -8.733 -12.869   2.113
   30   2HG   GLU   5          2HG       GLU   5  -7.685 -11.727   1.256
   31    H    PHE   6           H        PHE   6 -10.275  -8.335   0.099
   32    HA   PHE   6           HA       PHE   6 -13.003  -8.007  -0.655
   33   1HB   PHE   6          1HB       PHE   6 -13.195  -8.171   1.862
   34   2HB   PHE   6          2HB       PHE   6 -12.038  -6.854   2.010
   35    HD1  PHE   6           1HD      PHE   6 -15.359  -7.727   0.471
   36    HD2  PHE   6           2HD      PHE   6 -12.843  -4.593   2.053
   37    HE1  PHE   6           1HE      PHE   6 -17.209  -6.093   0.198
   38    HE2  PHE   6           2HE      PHE   6 -14.684  -2.974   1.769
   39    HZ   PHE   6           HZ       PHE   6 -16.875  -3.713   0.842
   40    H    THR   7           H        THR   7 -13.094  -5.292  -0.574
   41    HA   THR   7           HA       THR   7 -10.778  -4.466  -2.217
   42    HB   THR   7           HB       THR   7 -13.177  -2.859  -1.237
   43    HG1  THR   7           1HG      THR   7 -13.363  -4.815  -2.719
   44   1HG2  THR   7          1HG2      THR   7 -11.194  -2.354  -3.513
   45   2HG2  THR   7          2HG2      THR   7 -12.630  -1.372  -3.146
   46   3HG2  THR   7          3HG2      THR   7 -11.283  -1.435  -1.994
   47    H    ASP   8           H        ASP   8  -9.080  -4.647  -0.792
   48    HA   ASP   8           HA       ASP   8  -8.929  -3.014   1.697
   49   1HB   ASP   8          1HB       ASP   8  -8.098  -5.310   1.805
   50   2HB   ASP   8          2HB       ASP   8  -7.005  -4.983   0.445
   51    H    ALA   9           H        ALA   9  -6.915  -1.768   1.962
   52    HA   ALA   9           HA       ALA   9  -6.706   0.320  -0.015
   53   1HB   ALA   9          1HB       ALA   9  -6.061   0.708   2.333
   54   2HB   ALA   9          2HB       ALA   9  -4.811  -0.558   2.218
   55   3HB   ALA   9          3HB       ALA   9  -4.644   0.925   1.274
   56    H    CYS  10           H        CYS  10  -5.219  -2.824   0.428
   57    HA   CYS  10           HA       CYS  10  -2.898  -2.467  -1.258
   58   1HB   CYS  10          1HB       CYS  10  -3.107  -4.287   0.310
   59   2HB   CYS  10          2HB       CYS  10  -4.544  -4.899  -0.491
   60    H    VAL  11           H        VAL  11  -6.306  -2.960  -2.032
   61    HA   VAL  11           HA       VAL  11  -5.780  -3.703  -4.823
   62    HB   VAL  11           HB       VAL  11  -8.477  -3.182  -3.516
   63   1HG1  VAL  11          1HG1      VAL  11  -8.491  -3.657  -5.948
   64   2HG1  VAL  11          2HG1      VAL  11  -7.587  -5.158  -5.668
   65   3HG1  VAL  11          3HG1      VAL  11  -9.243  -4.972  -5.047
   66   1HG2  VAL  11          1HG2      VAL  11  -6.857  -5.753  -3.261
   67   2HG2  VAL  11          2HG2      VAL  11  -7.392  -4.713  -1.933
   68   3HG2  VAL  11          3HG2      VAL  11  -8.586  -5.586  -2.873
   69    H    LEU  12           H        LEU  12  -5.634  -0.809  -3.175
   70    HA   LEU  12           HA       LEU  12  -7.178   0.773  -5.142
   71   1HB   LEU  12          1HB       LEU  12  -8.183   1.116  -3.147
   72   2HB   LEU  12          2HB       LEU  12  -6.723   0.913  -2.198
   73    HG   LEU  12           HG       LEU  12  -6.215   3.295  -3.523
   74   1HD1  LEU  12          1HD1      LEU  12  -8.157   4.679  -3.479
   75   2HD1  LEU  12          2HD1      LEU  12  -8.658   3.225  -4.349
   76   3HD1  LEU  12          3HD1      LEU  12  -9.133   3.417  -2.663
   77   1HD2  LEU  12          1HD2      LEU  12  -6.555   4.324  -1.456
   78   2HD2  LEU  12          2HD2      LEU  12  -7.563   2.974  -0.841
   79   3HD2  LEU  12          3HD2      LEU  12  -5.827   2.748  -1.176
   80    HA   PRO  13           HA       PRO  13  -3.189   2.237  -6.367
   81   1HB   PRO  13          1HB       PRO  13  -3.826   4.621  -7.639
   82   2HB   PRO  13          2HB       PRO  13  -4.052   2.994  -8.318
   83   1HG   PRO  13          1HG       PRO  13  -6.080   4.848  -7.106
   84   2HG   PRO  13          2HG       PRO  13  -6.301   3.660  -8.426
   85   1HD   PRO  13          1HD       PRO  13  -6.987   3.350  -5.712
   86   2HD   PRO  13          2HD       PRO  13  -6.897   2.006  -6.863
   87    H    ALA  14           H        ALA  14  -1.815   4.218  -6.314
   88    HA   ALA  14           HA       ALA  14  -1.558   5.221  -3.593
   89   1HB   ALA  14          1HB       ALA  14   0.371   4.788  -5.198
   90   2HB   ALA  14          2HB       ALA  14  -0.176   6.182  -6.150
   91   3HB   ALA  14          3HB       ALA  14   0.375   6.407  -4.477
   92    H    VAL  15           H        VAL  15  -1.867   7.442  -2.917
   93    HA   VAL  15           HA       VAL  15  -3.152   9.270  -4.856
   94    HB   VAL  15           HB       VAL  15  -4.108   8.917  -2.027
   95   1HG1  VAL  15          1HG1      VAL  15  -5.145  10.718  -4.241
   96   2HG1  VAL  15          2HG1      VAL  15  -5.947  10.448  -2.678
   97   3HG1  VAL  15          3HG1      VAL  15  -4.369  11.217  -2.710
   98   1HG2  VAL  15          1HG2      VAL  15  -4.956   7.025  -3.332
   99   2HG2  VAL  15          2HG2      VAL  15  -6.285   8.182  -3.147
  100   3HG2  VAL  15          3HG2      VAL  15  -5.395   8.106  -4.674
  101    H    GLN  16           H        GLN  16  -2.266  11.060  -4.830
  102    HA   GLN  16           HA       GLN  16   0.146  11.579  -3.199
  103   1HB   GLN  16          1HB       GLN  16  -0.879  13.279  -5.504
  104   2HB   GLN  16          2HB       GLN  16   0.729  13.252  -4.777
  105   1HG   GLN  16          1HG       GLN  16   0.586  10.653  -5.525
  106   2HG   GLN  16          2HG       GLN  16  -0.545  11.304  -6.700
  107   1HE2  GLN  16          1HE2      GLN  16   1.005  13.925  -7.008
  108   2HE2  GLN  16          2HE2      GLN  16   2.428  13.425  -7.908
  109    H    GLY  17           H        GLY  17  -3.142  12.787  -3.416
  110   1HA   GLY  17          1HA       GLY  17  -4.242  13.950  -1.784
  111   2HA   GLY  17          2HA       GLY  17  -2.704  14.412  -1.021
  112    HA   PRO  18           HA       PRO  18  -4.407  17.819  -3.797
  113   1HB   PRO  18          1HB       PRO  18  -5.550  19.572  -2.040
  114   2HB   PRO  18          2HB       PRO  18  -6.363  18.076  -2.584
  115   1HG   PRO  18          1HG       PRO  18  -4.770  18.496  -0.028
  116   2HG   PRO  18          2HG       PRO  18  -6.418  17.812  -0.200
  117   1HD   PRO  18          1HD       PRO  18  -4.220  16.204  -0.041
  118   2HD   PRO  18          2HD       PRO  18  -5.600  15.795  -1.092
  119    H    CYS  19           H        CYS  19  -1.999  17.874  -1.319
  120    HA   CYS  19           HA       CYS  19  -1.497  20.714  -1.362
  121   1HB   CYS  19          1HB       CYS  19   0.139  18.422  -0.243
  122   2HB   CYS  19          2HB       CYS  19   0.524  20.126  -0.020
  123    H    ARG  20           H        ARG  20   1.110  21.191  -1.539
  124    HA   ARG  20           HA       ARG  20   2.095  20.219  -4.146
  125   1HB   ARG  20          1HB       ARG  20   1.627  23.108  -3.386
  126   2HB   ARG  20          2HB       ARG  20   2.907  22.650  -4.489
  127   1HG   ARG  20          1HG       ARG  20   1.489  22.613  -6.183
  128   2HG   ARG  20          2HG       ARG  20   0.644  21.248  -5.491
  129   1HD   ARG  20          1HD       ARG  20   0.036  24.162  -4.867
  130   2HD   ARG  20          2HD       ARG  20  -0.766  23.231  -6.134
  131    HE   ARG  20           HE       ARG  20  -1.430  21.625  -4.254
  132   1HH1  ARG  20          2HH2      ARG  20  -1.241  25.153  -3.856
  133   2HH1  ARG  20          1HH2      ARG  20  -2.550  25.250  -2.732
  134   1HH2  ARG  20          2HH1      ARG  20  -3.213  21.762  -2.850
  135   2HH2  ARG  20          1HH1      ARG  20  -3.695  23.240  -2.098
  136    H    GLY  21           H        GLY  21   2.696  20.068  -1.156
  137   1HA   GLY  21          1HA       GLY  21   5.624  20.707  -1.135
  138   2HA   GLY  21          2HA       GLY  21   4.644  20.263   0.309
  139    H    TRP  22           H        TRP  22   6.951  18.421  -0.601
  140    HA   TRP  22           HA       TRP  22   5.340  16.177  -1.529
  141   1HB   TRP  22          1HB       TRP  22   7.866  17.142  -2.877
  142   2HB   TRP  22          2HB       TRP  22   7.017  15.661  -3.238
  143    HD1  TRP  22           HD       TRP  22   7.558  18.741  -4.753
  144    HE1  TRP  22           1HE      TRP  22   5.659  19.656  -6.187
  145    HE3  TRP  22           3HE      TRP  22   3.732  15.779  -3.062
  146    HZ2  TRP  22           2HZ      TRP  22   2.836  19.161  -6.588
  147    HZ3  TRP  22           3HZ      TRP  22   1.445  16.048  -3.963
  148    HH2  TRP  22           HH       TRP  22   0.979  17.742  -5.714
  149    H    GLU  23           H        GLU  23   5.693  14.625  -0.309
  150    HA   GLU  23           HA       GLU  23   8.243  14.008   1.040
  151   1HB   GLU  23          1HB       GLU  23   6.450  14.398   2.655
  152   2HB   GLU  23          2HB       GLU  23   5.332  13.371   1.738
  153   1HG   GLU  23          1HG       GLU  23   6.795  11.406   2.151
  154   2HG   GLU  23          2HG       GLU  23   7.921  12.463   2.997
  155    HA   PRO  24           HA       PRO  24   7.859  10.486  -1.931
  156   1HB   PRO  24          1HB       PRO  24  10.061   9.072  -1.211
  157   2HB   PRO  24          2HB       PRO  24  10.172  10.597  -2.142
  158   1HG   PRO  24          1HG       PRO  24  10.580  10.192   0.833
  159   2HG   PRO  24          2HG       PRO  24  11.577  11.145  -0.306
  160   1HD   PRO  24          1HD       PRO  24   9.648  12.254   1.317
  161   2HD   PRO  24          2HD       PRO  24  10.055  12.930  -0.289
  162    H    ARG  25           H        ARG  25   6.260   9.148  -1.475
  163    HA   ARG  25           HA       ARG  25   6.321   7.565   1.068
  164   1HB   ARG  25          1HB       ARG  25   3.953   8.598  -0.539
  165   2HB   ARG  25          2HB       ARG  25   3.785   7.261   0.591
  166   1HG   ARG  25          1HG       ARG  25   4.813  10.002   1.385
  167   2HG   ARG  25          2HG       ARG  25   3.137   9.442   1.519
  168   1HD   ARG  25          1HD       ARG  25   3.827   7.655   3.087
  169   2HD   ARG  25          2HD       ARG  25   5.496   8.204   2.950
  170    HE   ARG  25           HE       ARG  25   5.067  10.093   4.170
  171   1HH1  ARG  25          2HH2      ARG  25   1.984   8.396   3.807
  172   2HH1  ARG  25          1HH2      ARG  25   1.139   9.382   4.946
  173   1HH2  ARG  25          2HH1      ARG  25   3.937  11.508   5.347
  174   2HH2  ARG  25          1HH1      ARG  25   2.338  11.209   5.950
  175    H    TRP  26           H        TRP  26   4.845   5.525   0.516
  176    HA   TRP  26           HA       TRP  26   5.932   4.200  -1.908
  177   1HB   TRP  26          1HB       TRP  26   6.024   3.476   1.046
  178   2HB   TRP  26          2HB       TRP  26   6.041   2.231  -0.184
  179    HD1  TRP  26           HD       TRP  26   8.279   5.102   1.150
  180    HE1  TRP  26           1HE      TRP  26  10.659   4.685   0.340
  181    HE3  TRP  26           3HE      TRP  26   7.310   1.239  -1.922
  182    HZ2  TRP  26           2HZ      TRP  26  12.029   2.683  -1.392
  183    HZ3  TRP  26           3HZ      TRP  26   9.084   0.282  -3.401
  184    HH2  TRP  26           HH       TRP  26  11.401   0.706  -2.893
  185    H    ALA  27           H        ALA  27   4.426   2.783  -2.898
  186    HA   ALA  27           HA       ALA  27   1.956   2.159  -1.431
  187   1HB   ALA  27          1HB       ALA  27   1.953   3.451  -4.194
  188   2HB   ALA  27          2HB       ALA  27   0.574   2.622  -3.472
  189   3HB   ALA  27          3HB       ALA  27   1.180   4.083  -2.703
  190    H    TYR  28           H        TYR  28   0.980   0.306  -2.190
  191    HA   TYR  28           HA       TYR  28   2.763  -1.558  -3.590
  192   1HB   TYR  28          1HB       TYR  28   1.436  -2.330  -1.630
  193   2HB   TYR  28          2HB       TYR  28  -0.048  -1.855  -2.432
  194    HD1  TYR  28           1HD      TYR  28  -1.258  -3.487  -3.585
  195    HD2  TYR  28           2HD      TYR  28   2.992  -4.040  -3.096
  196    HE1  TYR  28           1HE      TYR  28  -1.415  -5.667  -4.703
  197    HE2  TYR  28           2HE      TYR  28   2.848  -6.152  -4.360
  198    HH   TYR  28           HH       TYR  28  -0.254  -7.575  -5.467
  199    H    SER  29           H        SER  29   2.389  -2.396  -5.660
  200    HA   SER  29           HA       SER  29   0.066  -1.311  -7.140
  201   1HB   SER  29          1HB       SER  29   2.958  -1.488  -7.920
  202   2HB   SER  29          2HB       SER  29   1.716  -1.343  -9.143
  203    HG   SER  29           HG       SER  29   1.334   0.248  -6.940
  204    HA   PRO  30           HA       PRO  30  -0.355  -5.821  -7.201
  205   1HB   PRO  30          1HB       PRO  30  -2.886  -5.957  -8.191
  206   2HB   PRO  30          2HB       PRO  30  -2.551  -5.553  -6.509
  207   1HG   PRO  30          1HG       PRO  30  -3.144  -3.645  -8.774
  208   2HG   PRO  30          2HG       PRO  30  -3.828  -3.659  -7.116
  209   1HD   PRO  30          1HD       PRO  30  -1.765  -2.041  -7.840
  210   2HD   PRO  30          2HD       PRO  30  -1.865  -2.746  -6.198
  211    H    LEU  31           H        LEU  31  -1.182  -3.616  -9.840
  212    HA   LEU  31           HA       LEU  31  -0.780  -5.318 -12.032
  213   1HB   LEU  31          1HB       LEU  31  -0.704  -2.335 -11.675
  214   2HB   LEU  31          2HB       LEU  31  -0.350  -3.065 -13.238
  215    HG   LEU  31           HG       LEU  31  -2.876  -3.727 -11.689
  216   1HD1  LEU  31          1HD1      LEU  31  -4.018  -2.127 -13.147
  217   2HD1  LEU  31          2HD1      LEU  31  -2.798  -1.328 -12.141
  218   3HD1  LEU  31          3HD1      LEU  31  -2.454  -1.650 -13.866
  219   1HD2  LEU  31          1HD2      LEU  31  -2.086  -4.109 -14.623
  220   2HD2  LEU  31          2HD2      LEU  31  -2.398  -5.385 -13.422
  221   3HD2  LEU  31          3HD2      LEU  31  -3.722  -4.373 -13.966
  222    H    LEU  32           H        LEU  32   1.596  -4.061  -9.864
  223    HA   LEU  32           HA       LEU  32   3.805  -4.722 -11.762
  224   1HB   LEU  32          1HB       LEU  32   3.554  -2.820  -9.449
  225   2HB   LEU  32          2HB       LEU  32   5.129  -3.373  -9.940
  226    HG   LEU  32           HG       LEU  32   3.218  -2.017 -11.887
  227   1HD1  LEU  32          1HD1      LEU  32   5.496  -0.794 -10.269
  228   2HD1  LEU  32          2HD1      LEU  32   4.624   0.011 -11.596
  229   3HD1  LEU  32          3HD1      LEU  32   3.755  -0.424 -10.123
  230   1HD2  LEU  32          1HD2      LEU  32   6.223  -2.572 -12.024
  231   2HD2  LEU  32          2HD2      LEU  32   4.962  -3.359 -12.993
  232   3HD2  LEU  32          3HD2      LEU  32   5.288  -1.645 -13.224
  233    H    GLN  33           H        GLN  33   1.910  -5.836  -9.313
  234    HA   GLN  33           HA       GLN  33   1.923  -7.167  -7.617
  235   1HB   GLN  33          1HB       GLN  33   2.430  -8.603  -9.675
  236   2HB   GLN  33          2HB       GLN  33   4.085  -8.710  -9.078
  237   1HG   GLN  33          1HG       GLN  33   2.307  -9.299  -6.887
  238   2HG   GLN  33          2HG       GLN  33   1.698 -10.168  -8.280
  239   1HE2  GLN  33          1HE2      GLN  33   4.851  -9.527  -6.663
  240   2HE2  GLN  33          2HE2      GLN  33   5.451 -11.191  -6.875
  241    H    GLN  34           H        GLN  34   3.581  -4.850  -7.172
  242    HA   GLN  34           HA       GLN  34   5.013  -5.728  -4.872
  243   1HB   GLN  34          1HB       GLN  34   6.638  -6.408  -6.827
  244   2HB   GLN  34          2HB       GLN  34   6.946  -4.680  -6.971
  245   1HG   GLN  34          1HG       GLN  34   7.913  -4.581  -4.775
  246   2HG   GLN  34          2HG       GLN  34   7.220  -6.138  -4.321
  247   1HE2  GLN  34          1HE2      GLN  34   8.242  -8.090  -5.036
  248   2HE2  GLN  34          2HE2      GLN  34   9.840  -8.066  -5.762
  249    H    CYS  35           H        CYS  35   6.309  -3.821  -3.916
  250    HA   CYS  35           HA       CYS  35   4.671  -1.393  -4.254
  251   1HB   CYS  35          1HB       CYS  35   6.792  -2.176  -2.237
  252   2HB   CYS  35          2HB       CYS  35   5.970  -0.622  -2.256
  253    H    HIS  36           H        HIS  36   5.426   0.600  -4.552
  254    HA   HIS  36           HA       HIS  36   8.267   1.006  -5.305
  255   1HB   HIS  36          1HB       HIS  36   7.821   2.116  -7.393
  256   2HB   HIS  36          2HB       HIS  36   7.185   0.484  -7.438
  257    HD1  HIS  36           1HD      HIS  36   5.916   4.148  -7.105
  258    HD2  HIS  36           2HD      HIS  36   4.510   0.209  -7.937
  259    HE1  HIS  36           1HE      HIS  36   3.488   4.353  -7.902
  260    HE2  HIS  36           2HE      HIS  36   2.681   1.892  -8.347
  261    HA   PRO  37           HA       PRO  37   7.634   4.866  -3.169
  262   1HB   PRO  37          1HB       PRO  37   9.406   6.283  -5.103
  263   2HB   PRO  37          2HB       PRO  37   9.605   6.073  -3.340
  264   1HG   PRO  37          1HG       PRO  37  11.138   4.727  -5.203
  265   2HG   PRO  37          2HG       PRO  37  10.698   4.035  -3.617
  266   1HD   PRO  37          1HD       PRO  37   9.473   3.469  -6.305
  267   2HD   PRO  37          2HD       PRO  37   9.821   2.366  -4.956
  268    H    PHE  38           H        PHE  38   6.754   7.200  -3.589
  269    HA   PHE  38           HA       PHE  38   6.102   7.983  -6.234
  270   1HB   PHE  38          1HB       PHE  38   3.786   7.843  -6.288
  271   2HB   PHE  38          2HB       PHE  38   4.260   6.251  -5.754
  272    HD1  PHE  38           1HD      PHE  38   4.035   5.693  -3.210
  273    HD2  PHE  38           2HD      PHE  38   2.316   9.183  -5.061
  274    HE1  PHE  38           1HE      PHE  38   2.411   5.930  -1.322
  275    HE2  PHE  38           2HE      PHE  38   0.782   9.442  -3.160
  276    HZ   PHE  38           HZ       PHE  38   0.796   7.795  -1.293
  277    H    VAL  39           H        VAL  39   4.550  10.120  -5.902
  278    HA   VAL  39           HA       VAL  39   5.974  11.642  -3.786
  279    HB   VAL  39           HB       VAL  39   4.702  12.403  -6.454
  280   1HG1  VAL  39          1HG1      VAL  39   5.806  14.159  -4.239
  281   2HG1  VAL  39          2HG1      VAL  39   5.590  14.723  -5.913
  282   3HG1  VAL  39          3HG1      VAL  39   4.190  14.202  -4.972
  283   1HG2  VAL  39          1HG2      VAL  39   7.574  12.571  -5.424
  284   2HG2  VAL  39          2HG2      VAL  39   6.966  11.406  -6.621
  285   3HG2  VAL  39          3HG2      VAL  39   7.003  13.129  -7.011
  286    H    TYR  40           H        TYR  40   4.785  12.544  -2.110
  287    HA   TYR  40           HA       TYR  40   1.837  12.625  -2.343
  288   1HB   TYR  40          1HB       TYR  40   2.156  10.560  -1.310
  289   2HB   TYR  40          2HB       TYR  40   3.606  11.083  -0.472
  290    HD1  TYR  40           1HD      TYR  40   3.587  11.984   1.655
  291    HD2  TYR  40           2HD      TYR  40  -0.155  11.530  -0.459
  292    HE1  TYR  40           1HE      TYR  40   2.406  12.310   3.729
  293    HE2  TYR  40           2HE      TYR  40  -1.375  11.963   1.674
  294    HH   TYR  40           HH       TYR  40  -1.036  12.775   3.918
  295    H    GLY  41           H        GLY  41   0.873  14.160  -0.966
  296   1HA   GLY  41          1HA       GLY  41   2.652  16.413  -0.449
  297   2HA   GLY  41          2HA       GLY  41   0.924  16.466  -0.670
  298    H    GLY  42           H        GLY  42   1.774  14.185   1.791
  299   1HA   GLY  42          1HA       GLY  42   2.040  14.339   4.069
  300   2HA   GLY  42          2HA       GLY  42   2.230  16.093   3.949
  301    H    CYS  43           H        CYS  43  -0.291  16.521   2.638
  302    HA   CYS  43           HA       CYS  43  -2.217  16.384   4.815
  303   1HB   CYS  43          1HB       CYS  43  -3.616  17.679   3.216
  304   2HB   CYS  43          2HB       CYS  43  -2.068  18.396   3.574
  305    H    GLU  44           H        GLU  44  -4.542  15.950   3.659
  306    HA   GLU  44           HA       GLU  44  -5.310  13.453   3.912
  307   1HB   GLU  44          1HB       GLU  44  -6.339  15.150   1.627
  308   2HB   GLU  44          2HB       GLU  44  -7.151  13.804   2.422
  309   1HG   GLU  44          1HG       GLU  44  -8.128  15.640   3.413
  310   2HG   GLU  44          2HG       GLU  44  -6.950  15.145   4.613
  311    H    GLY  45           H        GLY  45  -5.174  11.449   2.947
  312   1HA   GLY  45          1HA       GLY  45  -4.867  11.023   0.154
  313   2HA   GLY  45          2HA       GLY  45  -3.397  10.594   1.060
  314    H    ASN  46           H        ASN  46  -4.699   8.487  -0.084
  315    HA   ASN  46           HA       ASN  46  -6.653   7.422   1.861
  316   1HB   ASN  46          1HB       ASN  46  -5.691   6.182  -0.723
  317   2HB   ASN  46          2HB       ASN  46  -7.020   5.625   0.287
  318   1HD2  ASN  46          1HD2      ASN  46  -8.443   5.645  -1.608
  319   2HD2  ASN  46          2HD2      ASN  46  -9.105   7.215  -2.038
  320    H    GLY  47           H        GLY  47  -6.289   4.803   1.771
  321   1HA   GLY  47          1HA       GLY  47  -4.254   4.449   3.781
  322   2HA   GLY  47          2HA       GLY  47  -5.368   3.220   3.189
  323    H    ASN  48           H        ASN  48  -4.141   3.816   0.278
  324    HA   ASN  48           HA       ASN  48  -1.926   1.892   0.654
  325   1HB   ASN  48          1HB       ASN  48  -3.478   1.644  -1.279
  326   2HB   ASN  48          2HB       ASN  48  -2.857   3.127  -1.965
  327   1HD2  ASN  48          1HD2      ASN  48  -2.483   1.060  -3.546
  328   2HD2  ASN  48          2HD2      ASN  48  -0.882   0.361  -3.522
  329    H    ASN  49           H        ASN  49  -0.892   3.458   2.073
  330    HA   ASN  49           HA       ASN  49   0.963   5.221   0.629
  331   1HB   ASN  49          1HB       ASN  49  -1.211   6.492   1.058
  332   2HB   ASN  49          2HB       ASN  49  -0.926   6.286   2.786
  333   1HD2  ASN  49          1HD2      ASN  49  -0.901   8.680   0.784
  334   2HD2  ASN  49          2HD2      ASN  49   0.561   9.528   1.216
  335    H    PHE  50           H        PHE  50   2.773   4.444   1.461
  336    HA   PHE  50           HA       PHE  50   3.022   3.698   4.332
  337   1HB   PHE  50          1HB       PHE  50   4.170   2.480   1.781
  338   2HB   PHE  50          2HB       PHE  50   4.691   2.001   3.360
  339    HD1  PHE  50           1HD      PHE  50   1.992   1.817   0.852
  340    HD2  PHE  50           2HD      PHE  50   3.116   0.745   4.877
  341    HE1  PHE  50           1HE      PHE  50   0.093   0.235   0.966
  342    HE2  PHE  50           2HE      PHE  50   1.211  -0.842   4.974
  343    HZ   PHE  50           HZ       PHE  50  -0.331  -1.063   3.025
  344    H    HIS  51           H        HIS  51   5.280   3.962   5.155
  345    HA   HIS  51           HA       HIS  51   6.613   6.341   3.893
  346   1HB   HIS  51          1HB       HIS  51   6.856   5.080   6.650
  347   2HB   HIS  51          2HB       HIS  51   8.035   6.207   6.028
  348    HD1  HIS  51           1HD      HIS  51   7.051   8.881   5.470
  349    HD2  HIS  51           2HD      HIS  51   4.773   6.164   7.840
  350    HE1  HIS  51           1HE      HIS  51   5.559  10.265   6.867
  351    HE2  HIS  51           2HE      HIS  51   4.087   8.664   8.289
  352    H    SER  52           H        SER  52   6.927   2.830   3.971
  353    HA   SER  52           HA       SER  52   9.680   3.143   2.964
  354   1HB   SER  52          1HB       SER  52  10.255   1.189   4.532
  355   2HB   SER  52          2HB       SER  52  10.092   2.782   5.261
  356    HG   SER  52           HG       SER  52   8.985   1.003   6.396
  357    H    ARG  53           H        ARG  53  10.489   1.180   2.115
  358    HA   ARG  53           HA       ARG  53   8.658  -0.180   0.339
  359   1HB   ARG  53          1HB       ARG  53  11.083   0.331  -0.099
  360   2HB   ARG  53          2HB       ARG  53  11.529  -0.815   1.106
  361   1HG   ARG  53          1HG       ARG  53  11.704  -1.427  -1.377
  362   2HG   ARG  53          2HG       ARG  53  11.118  -2.641  -0.244
  363   1HD   ARG  53          1HD       ARG  53   9.055  -2.685  -1.150
  364   2HD   ARG  53          2HD       ARG  53   8.969  -1.018  -1.476
  365    HE   ARG  53           HE       ARG  53   9.270  -1.550  -3.617
  366   1HH1  ARG  53          2HH2      ARG  53  10.787  -4.272  -1.968
  367   2HH1  ARG  53          1HH2      ARG  53  11.289  -4.993  -3.399
  368   1HH2  ARG  53          2HH1      ARG  53   9.730  -2.562  -5.432
  369   2HH2  ARG  53          1HH1      ARG  53  10.549  -4.078  -5.435
  370    H    GLU  54           H        GLU  54  10.416  -0.986   3.272
  371    HA   GLU  54           HA       GLU  54   9.749  -3.526   3.971
  372   1HB   GLU  54          1HB       GLU  54  11.257  -2.311   5.205
  373   2HB   GLU  54          2HB       GLU  54  10.327  -0.885   5.291
  374   1HG   GLU  54          1HG       GLU  54   9.360  -3.253   6.897
  375   2HG   GLU  54          2HG       GLU  54  10.851  -2.456   7.404
  376    H    SER  55           H        SER  55   7.961  -0.841   5.372
  377    HA   SER  55           HA       SER  55   5.877  -2.387   6.324
  378   1HB   SER  55          1HB       SER  55   4.476  -0.269   6.385
  379   2HB   SER  55          2HB       SER  55   6.048  -0.206   7.175
  380    HG   SER  55           HG       SER  55   6.872   0.998   5.571
  381    H    CYS  56           H        CYS  56   6.046  -0.922   3.163
  382    HA   CYS  56           HA       CYS  56   3.408  -1.568   2.271
  383   1HB   CYS  56          1HB       CYS  56   5.220   0.075   1.383
  384   2HB   CYS  56          2HB       CYS  56   5.971  -1.299   0.622
  385    H    GLU  57           H        GLU  57   6.521  -3.209   1.888
  386    HA   GLU  57           HA       GLU  57   5.352  -5.494   0.573
  387   1HB   GLU  57          1HB       GLU  57   8.109  -5.035   1.667
  388   2HB   GLU  57          2HB       GLU  57   7.574  -6.624   1.055
  389   1HG   GLU  57          1HG       GLU  57   6.768  -5.557  -1.052
  390   2HG   GLU  57          2HG       GLU  57   7.348  -3.995  -0.496
  391    H    ASP  58           H        ASP  58   5.824  -4.670   3.941
  392    HA   ASP  58           HA       ASP  58   4.983  -7.226   4.934
  393   1HB   ASP  58          1HB       ASP  58   6.141  -5.543   6.343
  394   2HB   ASP  58          2HB       ASP  58   4.686  -4.538   6.312
  395    H    ALA  59           H        ALA  59   3.190  -4.414   3.563
  396    HA   ALA  59           HA       ALA  59   0.625  -5.681   4.257
  397   1HB   ALA  59          1HB       ALA  59   1.165  -3.513   2.194
  398   2HB   ALA  59          2HB       ALA  59  -0.401  -4.008   2.853
  399   3HB   ALA  59          3HB       ALA  59   0.805  -3.252   3.915
  400    H    CYS  60           H        CYS  60   2.204  -5.259   0.986
  401    HA   CYS  60           HA       CYS  60   1.119  -7.862   0.026
  402   1HB   CYS  60          1HB       CYS  60   0.530  -5.182  -1.198
  403   2HB   CYS  60          2HB       CYS  60   0.286  -6.704  -1.992
  404    HA   PRO  61           HA       PRO  61   1.325  -8.153  -2.872
  405   1HB   PRO  61          1HB       PRO  61   2.794 -10.073  -4.298
  406   2HB   PRO  61          2HB       PRO  61   2.887  -8.337  -4.649
  407   1HG   PRO  61          1HG       PRO  61   4.679  -9.937  -2.791
  408   2HG   PRO  61          2HG       PRO  61   5.186  -8.902  -4.167
  409   1HD   PRO  61          1HD       PRO  61   5.142  -7.940  -1.636
  410   2HD   PRO  61          2HD       PRO  61   4.611  -6.922  -2.999
  411    H    VAL  62           H        VAL  62   2.101  -9.412  -0.120
  412    HA   VAL  62           HA       VAL  62   0.977 -12.129  -0.766
  413    HB   VAL  62           HB       VAL  62   1.882 -11.134   1.946
  414   1HG1  VAL  62          1HG1      VAL  62   2.317 -13.574   2.373
  415   2HG1  VAL  62          2HG1      VAL  62   0.628 -13.205   2.078
  416   3HG1  VAL  62          3HG1      VAL  62   1.611 -13.933   0.786
  417   1HG2  VAL  62          1HG2      VAL  62   3.671 -12.487  -0.117
  418   2HG2  VAL  62          2HG2      VAL  62   3.901 -10.875   0.591
  419   3HG2  VAL  62          3HG2      VAL  62   4.083 -12.301   1.602
  420    H    VAL  63           H        VAL  63  -0.833 -12.616   1.045
  421    HA   VAL  63           HA       VAL  63  -2.862 -10.555   0.797
  422    HB   VAL  63           HB       VAL  63  -2.856 -12.805   2.809
  423   1HG1  VAL  63          1HG1      VAL  63  -5.309 -12.730   2.497
  424   2HG1  VAL  63          2HG1      VAL  63  -4.669 -11.186   3.052
  425   3HG1  VAL  63          3HG1      VAL  63  -5.117 -11.390   1.348
  426   1HG2  VAL  63          1HG2      VAL  63  -3.674 -12.996  -0.133
  427   2HG2  VAL  63          2HG2      VAL  63  -2.385 -13.931   0.662
  428   3HG2  VAL  63          3HG2      VAL  63  -4.069 -14.210   1.097
  429    H    ASP  64           H        ASP  64  -3.494  -9.156   2.474
  430    HA   ASP  64           HA       ASP  64  -1.374  -7.847   3.782
  431   1HB   ASP  64          1HB       ASP  64  -3.292  -6.535   3.373
  432   2HB   ASP  64          2HB       ASP  64  -4.348  -7.656   4.241
  433    H    HIS  65           H        HIS  65  -0.189  -8.321   5.546
  434    HA   HIS  65           HA       HIS  65  -0.907 -10.413   7.347
  435   1HB   HIS  65          1HB       HIS  65   1.221  -8.244   7.639
  436   2HB   HIS  65          2HB       HIS  65   1.154  -9.766   8.504
  437    HD1  HIS  65           1HD      HIS  65   3.632  -8.773   6.716
  438    HD2  HIS  65           2HD      HIS  65   0.414 -11.109   5.294
  439    HE1  HIS  65           1HE      HIS  65   4.298  -9.611   4.429
  440    HE2  HIS  65           2HE      HIS  65   2.321 -11.030   3.569
  441    H    HIS  66           H        HIS  66  -3.025  -9.492   7.648
  442    HA   HIS  66           HA       HIS  66  -4.071  -7.294   8.341
  443   1HB   HIS  66          1HB       HIS  66  -4.765  -9.879   9.691
  444   2HB   HIS  66          2HB       HIS  66  -5.751  -8.414   9.802
  445    HD1  HIS  66           1HD      HIS  66  -5.273  -7.468   6.645
  446    HD2  HIS  66           2HD      HIS  66  -6.369 -11.349   8.020
  447    HE1  HIS  66           1HE      HIS  66  -6.448  -8.644   4.744
  448    HE2  HIS  66           2HE      HIS  66  -7.070 -10.942   5.477
  449    H    HIS  67           H        HIS  67  -3.000  -5.818   8.996
  450    HA   HIS  67           HA       HIS  67  -1.512  -5.507  11.361
  451   1HB   HIS  67          1HB       HIS  67  -2.629  -3.522   9.325
  452   2HB   HIS  67          2HB       HIS  67  -1.493  -3.091  10.593
  453    HD1  HIS  67           1HD      HIS  67  -1.469  -4.996   7.128
  454    HD2  HIS  67           2HD      HIS  67   1.056  -4.089  10.458
  455    HE1  HIS  67           1HE      HIS  67   0.849  -5.534   6.458
  456    HE2  HIS  67           2HE      HIS  67   2.399  -5.061   8.429
  457    H    HIS  68           H        HIS  68  -3.674  -6.457  12.502
  458    HA   HIS  68           HA       HIS  68  -5.643  -4.545  13.393
  459   1HB   HIS  68          1HB       HIS  68  -6.057  -6.201  15.222
  460   2HB   HIS  68          2HB       HIS  68  -6.058  -6.940  13.628
  461    HD1  HIS  68           1HD      HIS  68  -3.612  -6.608  16.670
  462    HD2  HIS  68           2HD      HIS  68  -4.434  -8.984  13.250
  463    HE1  HIS  68           1HE      HIS  68  -2.032  -8.630  16.768
  464    HE2  HIS  68           2HE      HIS  68  -2.529 -10.058  14.666
  465    H    HIS  69           H        HIS  69  -5.723  -3.510  15.509
  466    HA   HIS  69           HA       HIS  69  -3.302  -2.261  16.337
  467   1HB   HIS  69          1HB       HIS  69  -4.591  -1.498  18.308
  468   2HB   HIS  69          2HB       HIS  69  -5.477  -1.252  16.818
  469    HD1  HIS  69           1HD      HIS  69  -5.439  -3.788  19.816
  470    HD2  HIS  69           2HD      HIS  69  -7.976  -2.086  16.855
  471    HE1  HIS  69           1HE      HIS  69  -7.795  -4.599  20.322
  472    HE2  HIS  69           2HE      HIS  69  -9.353  -3.567  18.529
  473    H    HIS  70           H        HIS  70  -2.308  -2.482  18.568
  474    HA   HIS  70           HA       HIS  70  -1.420  -5.174  19.070
  475   1HB   HIS  70          1HB       HIS  70  -0.135  -3.085  19.693
  476   2HB   HIS  70          2HB       HIS  70  -1.365  -2.743  20.918
  477    HD1  HIS  70           1HD      HIS  70  -1.458  -5.933  21.849
  478    HD2  HIS  70           2HD      HIS  70   1.805  -3.260  21.581
  479    HE1  HIS  70           1HE      HIS  70   0.352  -6.798  23.514
  480    HE2  HIS  70           2HE      HIS  70   2.341  -5.149  23.323
  Start of MODEL   18
    1   1H    GLU   1          1H        GLU   1  -8.783  -3.084  -3.051
    2   2H    GLU   1          2H        GLU   1  -9.064  -3.602  -1.510
    3   3H    GLU   1          H         GLU   1  -9.826  -2.254  -2.038
    4    HA   GLU   1           HA       GLU   1 -10.845  -3.669  -3.806
    5   1HB   GLU   1          1HB       GLU   1 -11.215  -5.959  -3.220
    6   2HB   GLU   1          2HB       GLU   1  -9.531  -5.653  -3.478
    7   1HG   GLU   1          1HG       GLU   1 -10.736  -5.928  -0.709
    8   2HG   GLU   1          2HG       GLU   1 -10.192  -7.301  -1.669
    9    H    ALA   2           H        ALA   2 -13.090  -4.860  -2.632
   10    HA   ALA   2           HA       ALA   2 -13.742  -3.359  -0.165
   11   1HB   ALA   2          1HB       ALA   2 -15.340  -2.994  -2.746
   12   2HB   ALA   2          2HB       ALA   2 -15.803  -2.387  -1.141
   13   3HB   ALA   2          3HB       ALA   2 -14.358  -1.744  -1.941
   14    H    GLU   3           H        GLU   3 -14.265  -5.848  -2.480
   15    HA   GLU   3           HA       GLU   3 -16.737  -6.928  -1.545
   16   1HB   GLU   3          1HB       GLU   3 -14.567  -8.271  -3.234
   17   2HB   GLU   3          2HB       GLU   3 -16.288  -8.603  -3.216
   18   1HG   GLU   3          1HG       GLU   3 -15.874  -7.485  -5.246
   19   2HG   GLU   3          2HG       GLU   3 -16.689  -6.314  -4.214
   20    H    ALA   4           H        ALA   4 -13.343  -7.337  -0.822
   21    HA   ALA   4           HA       ALA   4 -13.655  -9.886   0.590
   22   1HB   ALA   4          1HB       ALA   4 -11.526  -9.348  -0.609
   23   2HB   ALA   4          2HB       ALA   4 -11.282  -7.967   0.488
   24   3HB   ALA   4          3HB       ALA   4 -11.268  -9.616   1.126
   25    H    GLU   5           H        GLU   5 -14.404  -9.953   2.511
   26    HA   GLU   5           HA       GLU   5 -15.135  -7.975   4.273
   27   1HB   GLU   5          1HB       GLU   5 -14.150 -10.614   5.391
   28   2HB   GLU   5          2HB       GLU   5 -15.467  -9.593   5.926
   29   1HG   GLU   5          1HG       GLU   5 -16.628 -11.310   4.942
   30   2HG   GLU   5          2HG       GLU   5 -16.581 -10.173   3.609
   31    H    PHE   6           H        PHE   6 -11.919  -8.851   3.626
   32    HA   PHE   6           HA       PHE   6 -10.832  -7.136   5.752
   33   1HB   PHE   6          1HB       PHE   6 -10.332  -9.491   6.369
   34   2HB   PHE   6          2HB       PHE   6  -9.605  -9.753   4.789
   35    HD1  PHE   6           1HD      PHE   6  -7.955  -6.932   4.847
   36    HD2  PHE   6           2HD      PHE   6  -8.449 -10.277   7.562
   37    HE1  PHE   6           1HE      PHE   6  -5.736  -6.533   5.750
   38    HE2  PHE   6           2HE      PHE   6  -6.188  -9.843   8.463
   39    HZ   PHE   6           HZ       PHE   6  -4.816  -7.974   7.551
   40    H    THR   7           H        THR   7 -10.851  -5.476   4.284
   41    HA   THR   7           HA       THR   7  -9.756  -5.787   1.564
   42    HB   THR   7           HB       THR   7 -11.563  -3.857   3.054
   43    HG1  THR   7           1HG      THR   7 -12.447  -5.552   1.792
   44   1HG2  THR   7          1HG2      THR   7  -9.970  -2.315   2.076
   45   2HG2  THR   7          2HG2      THR   7 -10.068  -3.152   0.514
   46   3HG2  THR   7          3HG2      THR   7 -11.482  -2.279   1.166
   47    H    ASP   8           H        ASP   8  -7.922  -4.481   1.032
   48    HA   ASP   8           HA       ASP   8  -6.452  -3.199   3.268
   49   1HB   ASP   8          1HB       ASP   8  -5.724  -5.524   2.997
   50   2HB   ASP   8          2HB       ASP   8  -5.425  -5.191   1.282
   51    H    ALA   9           H        ALA   9  -4.958  -1.794   2.727
   52    HA   ALA   9           HA       ALA   9  -5.635   0.120   0.716
   53   1HB   ALA   9          1HB       ALA   9  -3.112  -0.184   2.388
   54   2HB   ALA   9          2HB       ALA   9  -3.603   1.235   1.453
   55   3HB   ALA   9          3HB       ALA   9  -4.571   0.737   2.844
   56    H    CYS  10           H        CYS  10  -3.519  -2.704   0.727
   57    HA   CYS  10           HA       CYS  10  -1.760  -2.219  -1.385
   58   1HB   CYS  10          1HB       CYS  10  -1.633  -4.302  -0.300
   59   2HB   CYS  10          2HB       CYS  10  -3.356  -4.600  -0.497
   60    H    VAL  11           H        VAL  11  -5.275  -3.038  -1.628
   61    HA   VAL  11           HA       VAL  11  -4.941  -3.078  -4.586
   62    HB   VAL  11           HB       VAL  11  -7.273  -4.031  -2.947
   63   1HG1  VAL  11          1HG1      VAL  11  -7.959  -3.678  -5.276
   64   2HG1  VAL  11          2HG1      VAL  11  -6.501  -4.505  -5.855
   65   3HG1  VAL  11          3HG1      VAL  11  -7.766  -5.408  -5.005
   66   1HG2  VAL  11          1HG2      VAL  11  -6.401  -6.320  -3.385
   67   2HG2  VAL  11          2HG2      VAL  11  -4.902  -5.592  -4.015
   68   3HG2  VAL  11          3HG2      VAL  11  -5.387  -5.382  -2.313
   69    H    LEU  12           H        LEU  12  -5.367  -0.660  -2.474
   70    HA   LEU  12           HA       LEU  12  -7.533   0.734  -3.906
   71   1HB   LEU  12          1HB       LEU  12  -8.040   0.951  -1.847
   72   2HB   LEU  12          2HB       LEU  12  -6.389   0.836  -1.190
   73    HG   LEU  12           HG       LEU  12  -6.315   3.342  -2.101
   74   1HD1  LEU  12          1HD1      LEU  12  -8.713   3.249  -3.045
   75   2HD1  LEU  12          2HD1      LEU  12  -9.288   2.931  -1.418
   76   3HD1  LEU  12          3HD1      LEU  12  -8.514   4.475  -1.790
   77   1HD2  LEU  12          1HD2      LEU  12  -7.224   3.991   0.210
   78   2HD2  LEU  12          2HD2      LEU  12  -7.691   2.309   0.417
   79   3HD2  LEU  12          3HD2      LEU  12  -5.980   2.713   0.215
   80    HA   PRO  13           HA       PRO  13  -4.366   2.843  -6.271
   81   1HB   PRO  13          1HB       PRO  13  -6.314   5.140  -6.134
   82   2HB   PRO  13          2HB       PRO  13  -5.467   4.478  -7.561
   83   1HG   PRO  13          1HG       PRO  13  -8.093   3.891  -7.093
   84   2HG   PRO  13          2HG       PRO  13  -6.964   2.648  -7.722
   85   1HD   PRO  13          1HD       PRO  13  -7.995   2.964  -4.897
   86   2HD   PRO  13          2HD       PRO  13  -7.659   1.493  -5.819
   87    H    ALA  14           H        ALA  14  -2.948   4.731  -6.101
   88    HA   ALA  14           HA       ALA  14  -2.692   5.830  -3.342
   89   1HB   ALA  14          1HB       ALA  14  -0.677   5.705  -5.641
   90   2HB   ALA  14          2HB       ALA  14  -0.378   6.353  -4.015
   91   3HB   ALA  14          3HB       ALA  14  -0.710   4.626  -4.225
   92    H    VAL  15           H        VAL  15  -2.481   8.174  -3.184
   93    HA   VAL  15           HA       VAL  15  -2.997   9.786  -5.588
   94    HB   VAL  15           HB       VAL  15  -4.734   9.690  -3.106
   95   1HG1  VAL  15          1HG1      VAL  15  -4.395  12.029  -3.410
   96   2HG1  VAL  15          2HG1      VAL  15  -4.703  11.913  -5.171
   97   3HG1  VAL  15          3HG1      VAL  15  -5.998  11.632  -3.987
   98   1HG2  VAL  15          1HG2      VAL  15  -5.391   9.509  -6.092
   99   2HG2  VAL  15          2HG2      VAL  15  -5.457   8.174  -4.922
  100   3HG2  VAL  15          3HG2      VAL  15  -6.595   9.509  -4.786
  101    H    GLN  16           H        GLN  16  -2.247  11.888  -5.284
  102    HA   GLN  16           HA       GLN  16   0.047  12.068  -3.454
  103   1HB   GLN  16          1HB       GLN  16  -1.032  14.245  -5.311
  104   2HB   GLN  16          2HB       GLN  16   0.503  14.217  -4.460
  105   1HG   GLN  16          1HG       GLN  16   1.023  12.104  -5.893
  106   2HG   GLN  16          2HG       GLN  16  -0.342  12.635  -6.893
  107   1HE2  GLN  16          1HE2      GLN  16   2.941  13.218  -5.998
  108   2HE2  GLN  16          2HE2      GLN  16   3.182  14.743  -6.841
  109    H    GLY  17           H        GLY  17  -3.003  13.803  -4.011
  110   1HA   GLY  17          1HA       GLY  17  -4.382  14.633  -2.256
  111   2HA   GLY  17          2HA       GLY  17  -2.915  15.078  -1.358
  112    HA   PRO  18           HA       PRO  18  -4.480  18.441  -4.303
  113   1HB   PRO  18          1HB       PRO  18  -5.187  20.377  -2.444
  114   2HB   PRO  18          2HB       PRO  18  -6.293  19.137  -3.104
  115   1HG   PRO  18          1HG       PRO  18  -4.818  19.114  -0.470
  116   2HG   PRO  18          2HG       PRO  18  -6.506  18.630  -0.807
  117   1HD   PRO  18          1HD       PRO  18  -4.481  16.802  -0.569
  118   2HD   PRO  18          2HD       PRO  18  -5.828  16.548  -1.696
  119    H    CYS  19           H        CYS  19  -2.487  18.672  -1.339
  120    HA   CYS  19           HA       CYS  19  -1.090  21.020  -2.046
  121   1HB   CYS  19          1HB       CYS  19   0.121  18.768  -0.448
  122   2HB   CYS  19          2HB       CYS  19   0.417  20.463  -0.256
  123    H    ARG  20           H        ARG  20   1.083  21.175  -2.532
  124    HA   ARG  20           HA       ARG  20   2.219  19.213  -4.464
  125   1HB   ARG  20          1HB       ARG  20   2.106  22.196  -4.686
  126   2HB   ARG  20          2HB       ARG  20   3.428  21.315  -5.397
  127   1HG   ARG  20          1HG       ARG  20   1.761  21.849  -7.038
  128   2HG   ARG  20          2HG       ARG  20   2.002  20.128  -6.906
  129   1HD   ARG  20          1HD       ARG  20  -0.374  21.523  -5.634
  130   2HD   ARG  20          2HD       ARG  20  -0.361  21.061  -7.337
  131    HE   ARG  20           HE       ARG  20  -0.906  19.405  -5.112
  132   1HH1  ARG  20          2HH2      ARG  20   0.442  19.137  -8.381
  133   2HH1  ARG  20          1HH2      ARG  20   0.353  17.393  -8.383
  134   1HH2  ARG  20          2HH1      ARG  20  -1.008  17.135  -5.153
  135   2HH2  ARG  20          1HH1      ARG  20  -0.372  16.264  -6.526
  136    H    GLY  21           H        GLY  21   2.567  19.969  -1.487
  137   1HA   GLY  21          1HA       GLY  21   5.491  20.445  -1.275
  138   2HA   GLY  21          2HA       GLY  21   4.397  19.920   0.054
  139    H    TRP  22           H        TRP  22   6.948  18.392  -0.732
  140    HA   TRP  22           HA       TRP  22   5.675  15.986  -1.895
  141   1HB   TRP  22          1HB       TRP  22   8.389  17.184  -2.474
  142   2HB   TRP  22          2HB       TRP  22   7.881  15.604  -2.997
  143    HD1  TRP  22           HD       TRP  22   8.733  18.230  -4.735
  144    HE1  TRP  22           1HE      TRP  22   7.259  19.012  -6.665
  145    HE3  TRP  22           3HE      TRP  22   4.313  15.904  -3.444
  146    HZ2  TRP  22           2HZ      TRP  22   4.530  18.653  -7.566
  147    HZ3  TRP  22           3HZ      TRP  22   2.337  16.168  -4.814
  148    HH2  TRP  22           HH       TRP  22   2.436  17.477  -6.939
  149    H    GLU  23           H        GLU  23   5.457  14.697  -0.410
  150    HA   GLU  23           HA       GLU  23   7.556  14.012   1.583
  151   1HB   GLU  23          1HB       GLU  23   5.517  14.737   2.626
  152   2HB   GLU  23          2HB       GLU  23   4.520  13.794   1.528
  153   1HG   GLU  23          1HG       GLU  23   4.441  12.722   3.589
  154   2HG   GLU  23          2HG       GLU  23   5.369  11.704   2.507
  155    HA   PRO  24           HA       PRO  24   7.705  10.340  -1.299
  156   1HB   PRO  24          1HB       PRO  24   9.888   9.128  -0.239
  157   2HB   PRO  24          2HB       PRO  24  10.009  10.581  -1.279
  158   1HG   PRO  24          1HG       PRO  24  10.102  10.440   1.748
  159   2HG   PRO  24          2HG       PRO  24  11.184  11.346   0.645
  160   1HD   PRO  24          1HD       PRO  24   9.056  12.490   1.936
  161   2HD   PRO  24          2HD       PRO  24   9.579  13.035   0.317
  162    H    ARG  25           H        ARG  25   6.398   8.685  -1.044
  163    HA   ARG  25           HA       ARG  25   6.314   7.210   1.532
  164   1HB   ARG  25          1HB       ARG  25   3.898   8.218  -0.044
  165   2HB   ARG  25          2HB       ARG  25   3.790   7.014   1.243
  166   1HG   ARG  25          1HG       ARG  25   4.831   9.849   1.589
  167   2HG   ARG  25          2HG       ARG  25   3.212   9.293   1.998
  168   1HD   ARG  25          1HD       ARG  25   4.148   7.666   3.596
  169   2HD   ARG  25          2HD       ARG  25   5.780   8.232   3.249
  170    HE   ARG  25           HE       ARG  25   5.518  10.148   4.447
  171   1HH1  ARG  25          2HH2      ARG  25   2.314   8.623   4.272
  172   2HH1  ARG  25          1HH2      ARG  25   1.591   9.727   5.400
  173   1HH2  ARG  25          2HH1      ARG  25   4.689  11.479   5.839
  174   2HH2  ARG  25          1HH1      ARG  25   3.040  11.453   6.429
  175    H    TRP  26           H        TRP  26   4.915   5.117   1.086
  176    HA   TRP  26           HA       TRP  26   5.929   3.954  -1.484
  177   1HB   TRP  26          1HB       TRP  26   5.798   2.893   1.355
  178   2HB   TRP  26          2HB       TRP  26   6.076   1.856  -0.049
  179    HD1  TRP  26           HD       TRP  26   7.664   4.746   1.957
  180    HE1  TRP  26           1HE      TRP  26  10.147   4.913   1.409
  181    HE3  TRP  26           3HE      TRP  26   7.960   0.946  -1.384
  182    HZ2  TRP  26           2HZ      TRP  26  11.962   3.805  -0.618
  183    HZ3  TRP  26           3HZ      TRP  26   9.986   0.685  -2.836
  184    HH2  TRP  26           HH       TRP  26  11.985   2.092  -2.442
  185    H    ALA  27           H        ALA  27   4.442   2.595  -2.686
  186    HA   ALA  27           HA       ALA  27   1.873   1.990  -1.443
  187   1HB   ALA  27          1HB       ALA  27   2.015   3.696  -3.975
  188   2HB   ALA  27          2HB       ALA  27   0.586   2.811  -3.448
  189   3HB   ALA  27          3HB       ALA  27   1.209   4.099  -2.426
  190    H    TYR  28           H        TYR  28   0.780   0.316  -2.454
  191    HA   TYR  28           HA       TYR  28   2.524  -1.437  -3.997
  192   1HB   TYR  28          1HB       TYR  28   1.108  -2.340  -2.150
  193   2HB   TYR  28          2HB       TYR  28  -0.321  -1.882  -3.059
  194    HD1  TYR  28           1HD      TYR  28  -1.220  -3.318  -4.734
  195    HD2  TYR  28           2HD      TYR  28   2.764  -4.051  -3.257
  196    HE1  TYR  28           1HE      TYR  28  -1.215  -5.492  -5.867
  197    HE2  TYR  28           2HE      TYR  28   2.811  -6.191  -4.497
  198    HH   TYR  28           HH       TYR  28  -0.042  -7.578  -6.012
  199    H    SER  29           H        SER  29   2.283  -2.163  -6.054
  200    HA   SER  29           HA       SER  29   0.072  -1.076  -7.686
  201   1HB   SER  29          1HB       SER  29   3.028  -1.166  -8.169
  202   2HB   SER  29          2HB       SER  29   1.965  -1.115  -9.540
  203    HG   SER  29           HG       SER  29   1.216   0.481  -7.416
  204    HA   PRO  30           HA       PRO  30  -0.324  -5.573  -8.108
  205   1HB   PRO  30          1HB       PRO  30  -2.722  -5.574  -9.487
  206   2HB   PRO  30          2HB       PRO  30  -2.596  -5.473  -7.706
  207   1HG   PRO  30          1HG       PRO  30  -3.000  -3.235  -9.695
  208   2HG   PRO  30          2HG       PRO  30  -3.810  -3.482  -8.117
  209   1HD   PRO  30          1HD       PRO  30  -1.734  -1.754  -8.447
  210   2HD   PRO  30          2HD       PRO  30  -1.940  -2.677  -6.930
  211    H    LEU  31           H        LEU  31  -0.726  -3.072 -10.598
  212    HA   LEU  31           HA       LEU  31  -0.223  -4.700 -12.880
  213   1HB   LEU  31          1HB       LEU  31  -0.071  -1.749 -12.326
  214   2HB   LEU  31          2HB       LEU  31   0.439  -2.409 -13.877
  215    HG   LEU  31           HG       LEU  31  -2.288  -3.057 -12.696
  216   1HD1  LEU  31          1HD1      LEU  31  -2.073  -0.633 -12.933
  217   2HD1  LEU  31          2HD1      LEU  31  -1.530  -0.835 -14.620
  218   3HD1  LEU  31          3HD1      LEU  31  -3.185  -1.298 -14.146
  219   1HD2  LEU  31          1HD2      LEU  31  -1.587  -4.584 -14.519
  220   2HD2  LEU  31          2HD2      LEU  31  -2.881  -3.525 -15.070
  221   3HD2  LEU  31          3HD2      LEU  31  -1.203  -3.196 -15.553
  222    H    LEU  32           H        LEU  32   1.938  -3.658 -10.371
  223    HA   LEU  32           HA       LEU  32   4.313  -4.365 -12.027
  224   1HB   LEU  32          1HB       LEU  32   3.832  -2.584  -9.643
  225   2HB   LEU  32          2HB       LEU  32   5.437  -3.167  -9.969
  226    HG   LEU  32           HG       LEU  32   3.833  -1.640 -12.059
  227   1HD1  LEU  32          1HD1      LEU  32   5.897  -0.595 -10.077
  228   2HD1  LEU  32          2HD1      LEU  32   5.267   0.311 -11.473
  229   3HD1  LEU  32          3HD1      LEU  32   4.169  -0.155 -10.172
  230   1HD2  LEU  32          1HD2      LEU  32   5.670  -2.990 -13.005
  231   2HD2  LEU  32          2HD2      LEU  32   6.063  -1.276 -13.101
  232   3HD2  LEU  32          3HD2      LEU  32   6.813  -2.290 -11.844
  233    H    GLN  33           H        GLN  33   2.103  -5.544  -9.886
  234    HA   GLN  33           HA       GLN  33   1.866  -6.993  -8.307
  235   1HB   GLN  33          1HB       GLN  33   2.642  -8.357 -10.333
  236   2HB   GLN  33          2HB       GLN  33   4.198  -8.512  -9.512
  237   1HG   GLN  33          1HG       GLN  33   2.136  -9.126  -7.602
  238   2HG   GLN  33          2HG       GLN  33   1.694  -9.941  -9.089
  239   1HE2  GLN  33          1HE2      GLN  33   4.571  -9.458  -6.973
  240   2HE2  GLN  33          2HE2      GLN  33   5.148 -11.129  -7.151
  241    H    GLN  34           H        GLN  34   3.484  -4.710  -7.557
  242    HA   GLN  34           HA       GLN  34   4.784  -5.713  -5.186
  243   1HB   GLN  34          1HB       GLN  34   6.476  -6.172  -7.169
  244   2HB   GLN  34          2HB       GLN  34   6.700  -4.414  -7.123
  245   1HG   GLN  34          1HG       GLN  34   7.508  -4.509  -4.836
  246   2HG   GLN  34          2HG       GLN  34   7.094  -6.220  -4.711
  247   1HE2  GLN  34          1HE2      GLN  34   8.362  -7.763  -6.019
  248   2HE2  GLN  34          2HE2      GLN  34   9.967  -7.308  -6.570
  249    H    CYS  35           H        CYS  35   5.880  -3.848  -4.032
  250    HA   CYS  35           HA       CYS  35   4.371  -1.349  -4.465
  251   1HB   CYS  35          1HB       CYS  35   6.154  -2.455  -2.324
  252   2HB   CYS  35          2HB       CYS  35   5.828  -0.736  -2.368
  253    H    HIS  36           H        HIS  36   5.398   0.644  -4.320
  254    HA   HIS  36           HA       HIS  36   8.256   0.862  -5.005
  255   1HB   HIS  36          1HB       HIS  36   7.850   2.179  -7.076
  256   2HB   HIS  36          2HB       HIS  36   7.214   0.554  -7.232
  257    HD1  HIS  36           1HD      HIS  36   5.872   4.124  -6.420
  258    HD2  HIS  36           2HD      HIS  36   4.606   0.358  -7.944
  259    HE1  HIS  36           1HE      HIS  36   3.408   4.369  -7.109
  260    HE2  HIS  36           2HE      HIS  36   2.726   2.046  -8.097
  261    HA   PRO  37           HA       PRO  37   7.504   4.629  -2.732
  262   1HB   PRO  37          1HB       PRO  37   9.387   6.414  -3.693
  263   2HB   PRO  37          2HB       PRO  37   9.689   5.125  -2.513
  264   1HG   PRO  37          1HG       PRO  37  10.321   5.207  -5.454
  265   2HG   PRO  37          2HG       PRO  37  11.210   4.367  -4.146
  266   1HD   PRO  37          1HD       PRO  37   9.425   3.197  -5.979
  267   2HD   PRO  37          2HD       PRO  37   9.968   2.453  -4.460
  268    H    PHE  38           H        PHE  38   6.862   7.046  -3.103
  269    HA   PHE  38           HA       PHE  38   6.309   7.874  -5.782
  270   1HB   PHE  38          1HB       PHE  38   3.981   7.884  -5.846
  271   2HB   PHE  38          2HB       PHE  38   4.368   6.264  -5.335
  272    HD1  PHE  38           1HD      PHE  38   4.155   5.736  -2.730
  273    HD2  PHE  38           2HD      PHE  38   2.443   9.225  -4.634
  274    HE1  PHE  38           1HE      PHE  38   2.397   5.866  -0.995
  275    HE2  PHE  38           2HE      PHE  38   0.706   9.312  -2.898
  276    HZ   PHE  38           HZ       PHE  38   0.664   7.617  -1.078
  277    H    VAL  39           H        VAL  39   5.079  10.092  -5.623
  278    HA   VAL  39           HA       VAL  39   6.171  11.468  -3.234
  279    HB   VAL  39           HB       VAL  39   5.416  12.676  -5.916
  280   1HG1  VAL  39          1HG1      VAL  39   6.837  14.509  -5.105
  281   2HG1  VAL  39          2HG1      VAL  39   5.630  14.126  -3.862
  282   3HG1  VAL  39          3HG1      VAL  39   7.291  13.554  -3.671
  283   1HG2  VAL  39          1HG2      VAL  39   7.870  12.746  -6.414
  284   2HG2  VAL  39          2HG2      VAL  39   8.160  11.656  -5.043
  285   3HG2  VAL  39          3HG2      VAL  39   7.220  11.108  -6.453
  286    H    TYR  40           H        TYR  40   4.694  11.875  -1.785
  287    HA   TYR  40           HA       TYR  40   1.829  12.250  -2.415
  288   1HB   TYR  40          1HB       TYR  40   2.117  10.308  -1.090
  289   2HB   TYR  40          2HB       TYR  40   3.433  10.991  -0.185
  290    HD1  TYR  40           1HD      TYR  40   3.113  11.691   1.949
  291    HD2  TYR  40           2HD      TYR  40  -0.287  11.516  -0.699
  292    HE1  TYR  40           1HE      TYR  40   1.627  12.160   3.850
  293    HE2  TYR  40           2HE      TYR  40  -1.778  12.112   1.195
  294    HH   TYR  40           HH       TYR  40  -1.714  12.995   3.458
  295    H    GLY  41           H        GLY  41   0.875  13.923  -0.704
  296   1HA   GLY  41          1HA       GLY  41   2.857  16.118  -0.432
  297   2HA   GLY  41          2HA       GLY  41   1.248  16.363  -1.036
  298    H    GLY  42           H        GLY  42   1.479  14.176   1.655
  299   1HA   GLY  42          1HA       GLY  42   1.462  14.370   3.918
  300   2HA   GLY  42          2HA       GLY  42   1.781  16.102   3.800
  301    H    CYS  43           H        CYS  43  -0.587  16.731   2.216
  302    HA   CYS  43           HA       CYS  43  -2.661  16.620   4.283
  303   1HB   CYS  43          1HB       CYS  43  -3.938  17.984   2.634
  304   2HB   CYS  43          2HB       CYS  43  -2.399  18.646   3.121
  305    H    GLU  44           H        GLU  44  -4.954  16.280   3.040
  306    HA   GLU  44           HA       GLU  44  -5.801  13.783   3.153
  307   1HB   GLU  44          1HB       GLU  44  -6.724  15.607   0.922
  308   2HB   GLU  44          2HB       GLU  44  -7.596  14.267   1.661
  309   1HG   GLU  44          1HG       GLU  44  -8.531  16.092   2.705
  310   2HG   GLU  44          2HG       GLU  44  -7.371  15.544   3.899
  311    H    GLY  45           H        GLY  45  -5.711  11.803   2.008
  312   1HA   GLY  45          1HA       GLY  45  -5.137  11.628  -0.782
  313   2HA   GLY  45          2HA       GLY  45  -3.759  11.115   0.202
  314    H    ASN  46           H        ASN  46  -4.404   8.936  -0.869
  315    HA   ASN  46           HA       ASN  46  -6.750   7.685   0.486
  316   1HB   ASN  46          1HB       ASN  46  -4.909   6.345  -1.515
  317   2HB   ASN  46          2HB       ASN  46  -6.389   5.729  -0.877
  318   1HD2  ASN  46          1HD2      ASN  46  -6.724   5.349  -3.251
  319   2HD2  ASN  46          2HD2      ASN  46  -7.684   6.634  -4.015
  320    H    GLY  47           H        GLY  47  -6.124   5.312   0.931
  321   1HA   GLY  47          1HA       GLY  47  -4.337   5.454   3.275
  322   2HA   GLY  47          2HA       GLY  47  -5.477   4.156   2.905
  323    H    ASN  48           H        ASN  48  -4.011   4.379   0.013
  324    HA   ASN  48           HA       ASN  48  -2.015   2.273   0.592
  325   1HB   ASN  48          1HB       ASN  48  -3.535   2.187  -1.413
  326   2HB   ASN  48          2HB       ASN  48  -2.698   3.587  -2.053
  327   1HD2  ASN  48          1HD2      ASN  48  -2.624   1.533  -3.573
  328   2HD2  ASN  48          2HD2      ASN  48  -1.109   0.650  -3.650
  329    H    ASN  49           H        ASN  49  -0.946   3.656   2.045
  330    HA   ASN  49           HA       ASN  49   1.125   5.360   0.834
  331   1HB   ASN  49          1HB       ASN  49  -0.932   6.765   1.357
  332   2HB   ASN  49          2HB       ASN  49  -0.826   6.242   3.034
  333   1HD2  ASN  49          1HD2      ASN  49  -0.478   8.910   1.494
  334   2HD2  ASN  49          2HD2      ASN  49   0.978   9.596   2.138
  335    H    PHE  50           H        PHE  50   2.783   4.200   1.609
  336    HA   PHE  50           HA       PHE  50   2.687   3.069   4.343
  337   1HB   PHE  50          1HB       PHE  50   4.011   2.022   1.825
  338   2HB   PHE  50          2HB       PHE  50   4.392   1.394   3.358
  339    HD1  PHE  50           1HD      PHE  50   1.717   1.648   0.795
  340    HD2  PHE  50           2HD      PHE  50   2.685   0.205   4.742
  341    HE1  PHE  50           1HE      PHE  50  -0.377   0.318   0.841
  342    HE2  PHE  50           2HE      PHE  50   0.586  -1.101   4.776
  343    HZ   PHE  50           HZ       PHE  50  -0.957  -1.025   2.845
  344    H    HIS  51           H        HIS  51   4.761   2.727   5.288
  345    HA   HIS  51           HA       HIS  51   6.065   5.359   5.464
  346   1HB   HIS  51          1HB       HIS  51   6.544   2.917   7.196
  347   2HB   HIS  51          2HB       HIS  51   6.768   4.594   7.598
  348    HD1  HIS  51           1HD      HIS  51   4.243   5.946   8.032
  349    HD2  HIS  51           2HD      HIS  51   4.294   1.778   7.451
  350    HE1  HIS  51           1HE      HIS  51   1.869   5.093   8.643
  351    HE2  HIS  51           2HE      HIS  51   1.918   2.529   8.306
  352    H    SER  52           H        SER  52   6.662   2.182   4.214
  353    HA   SER  52           HA       SER  52   9.455   2.769   3.605
  354   1HB   SER  52          1HB       SER  52  10.178   0.722   5.043
  355   2HB   SER  52          2HB       SER  52   9.791   2.198   5.926
  356    HG   SER  52           HG       SER  52   8.805   0.293   6.840
  357    H    ARG  53           H        ARG  53  10.457   0.685   2.801
  358    HA   ARG  53           HA       ARG  53   8.914  -0.574   0.703
  359   1HB   ARG  53          1HB       ARG  53  11.458  -0.223   0.851
  360   2HB   ARG  53          2HB       ARG  53  11.492  -1.509   2.047
  361   1HG   ARG  53          1HG       ARG  53  12.037  -2.493   0.021
  362   2HG   ARG  53          2HG       ARG  53  10.383  -3.029   0.297
  363   1HD   ARG  53          1HD       ARG  53   9.551  -1.440  -1.335
  364   2HD   ARG  53          2HD       ARG  53  11.031  -0.552  -1.319
  365    HE   ARG  53           HE       ARG  53  12.162  -2.498  -2.369
  366   1HH1  ARG  53          2HH2      ARG  53   8.646  -2.695  -2.597
  367   2HH1  ARG  53          1HH2      ARG  53   8.590  -2.863  -4.316
  368   1HH2  ARG  53          2HH1      ARG  53  12.125  -3.375  -4.537
  369   2HH2  ARG  53          1HH1      ARG  53  10.591  -3.726  -5.254
  370    H    GLU  54           H        GLU  54  10.208  -1.711   3.785
  371    HA   GLU  54           HA       GLU  54   9.240  -4.163   4.272
  372   1HB   GLU  54          1HB       GLU  54  10.697  -3.066   5.698
  373   2HB   GLU  54          2HB       GLU  54   9.860  -1.582   5.698
  374   1HG   GLU  54          1HG       GLU  54   8.448  -3.724   7.212
  375   2HG   GLU  54          2HG       GLU  54  10.070  -3.330   7.812
  376    H    SER  55           H        SER  55   7.477  -1.441   5.625
  377    HA   SER  55           HA       SER  55   5.197  -2.944   6.139
  378   1HB   SER  55          1HB       SER  55   3.910  -0.733   6.227
  379   2HB   SER  55          2HB       SER  55   5.268  -0.945   7.304
  380    HG   SER  55           HG       SER  55   6.542   0.318   5.990
  381    H    CYS  56           H        CYS  56   6.012  -1.457   3.097
  382    HA   CYS  56           HA       CYS  56   3.300  -1.639   2.033
  383   1HB   CYS  56          1HB       CYS  56   5.395  -0.058   1.410
  384   2HB   CYS  56          2HB       CYS  56   5.888  -1.412   0.442
  385    H    GLU  57           H        GLU  57   6.375  -3.461   1.769
  386    HA   GLU  57           HA       GLU  57   5.473  -5.402  -0.106
  387   1HB   GLU  57          1HB       GLU  57   7.550  -5.751   1.994
  388   2HB   GLU  57          2HB       GLU  57   7.141  -6.897   0.729
  389   1HG   GLU  57          1HG       GLU  57   8.750  -4.538   0.644
  390   2HG   GLU  57          2HG       GLU  57   8.770  -5.946  -0.418
  391    H    ASP  58           H        ASP  58   5.229  -5.142   3.479
  392    HA   ASP  58           HA       ASP  58   4.056  -7.697   3.995
  393   1HB   ASP  58          1HB       ASP  58   5.105  -6.276   5.725
  394   2HB   ASP  58          2HB       ASP  58   3.794  -5.107   5.564
  395    H    ALA  59           H        ALA  59   2.564  -4.446   3.218
  396    HA   ALA  59           HA       ALA  59  -0.113  -5.431   3.416
  397   1HB   ALA  59          1HB       ALA  59   0.951  -3.313   1.498
  398   2HB   ALA  59          2HB       ALA  59  -0.736  -3.554   1.994
  399   3HB   ALA  59          3HB       ALA  59   0.475  -3.067   3.195
  400    H    CYS  60           H        CYS  60   2.128  -5.388   0.584
  401    HA   CYS  60           HA       CYS  60   1.267  -7.893  -0.377
  402   1HB   CYS  60          1HB       CYS  60   0.528  -5.391  -1.879
  403   2HB   CYS  60          2HB       CYS  60   0.795  -6.840  -2.711
  404    HA   PRO  61           HA       PRO  61   1.674  -8.587  -2.786
  405   1HB   PRO  61          1HB       PRO  61   3.403 -10.255  -4.092
  406   2HB   PRO  61          2HB       PRO  61   3.026  -8.612  -4.681
  407   1HG   PRO  61          1HG       PRO  61   5.439  -9.509  -3.070
  408   2HG   PRO  61          2HG       PRO  61   5.402  -8.452  -4.510
  409   1HD   PRO  61          1HD       PRO  61   5.470  -7.524  -1.888
  410   2HD   PRO  61          2HD       PRO  61   4.768  -6.597  -3.234
  411    H    VAL  62           H        VAL  62   0.783  -9.769  -1.140
  412    HA   VAL  62           HA       VAL  62   2.318 -12.013  -0.026
  413    HB   VAL  62           HB       VAL  62   0.459 -10.193   1.563
  414   1HG1  VAL  62          1HG1      VAL  62   1.419 -11.421   3.557
  415   2HG1  VAL  62          2HG1      VAL  62   0.306 -12.355   2.590
  416   3HG1  VAL  62          3HG1      VAL  62   2.077 -12.624   2.433
  417   1HG2  VAL  62          1HG2      VAL  62   2.548  -9.014   1.225
  418   2HG2  VAL  62          2HG2      VAL  62   2.598  -9.650   2.849
  419   3HG2  VAL  62          3HG2      VAL  62   3.509 -10.467   1.565
  420    H    VAL  63           H        VAL  63   0.459 -13.375   1.074
  421    HA   VAL  63           HA       VAL  63  -1.227 -14.336  -1.078
  422    HB   VAL  63           HB       VAL  63  -1.307 -15.190   1.830
  423   1HG1  VAL  63          1HG1      VAL  63  -1.758 -17.464   0.830
  424   2HG1  VAL  63          2HG1      VAL  63  -3.026 -16.305   0.491
  425   3HG1  VAL  63          3HG1      VAL  63  -1.835 -16.703  -0.769
  426   1HG2  VAL  63          1HG2      VAL  63   0.701 -16.097  -0.278
  427   2HG2  VAL  63          2HG2      VAL  63   1.070 -15.303   1.268
  428   3HG2  VAL  63          3HG2      VAL  63   0.421 -16.933   1.263
  429    H    ASP  64           H        ASP  64  -3.575 -14.741  -0.511
  430    HA   ASP  64           HA       ASP  64  -5.357 -12.788  -0.537
  431   1HB   ASP  64          1HB       ASP  64  -6.036 -15.052  -0.698
  432   2HB   ASP  64          2HB       ASP  64  -5.319 -15.486   0.847
  433    H    HIS  65           H        HIS  65  -5.931 -11.005   0.711
  434    HA   HIS  65           HA       HIS  65  -5.054 -10.624   3.390
  435   1HB   HIS  65          1HB       HIS  65  -7.273  -9.249   1.791
  436   2HB   HIS  65          2HB       HIS  65  -6.606  -8.680   3.305
  437    HD1  HIS  65           1HD      HIS  65  -6.371  -7.583  -0.038
  438    HD2  HIS  65           2HD      HIS  65  -3.524  -8.616   2.966
  439    HE1  HIS  65           1HE      HIS  65  -4.121  -6.554  -0.695
  440    HE2  HIS  65           2HE      HIS  65  -2.439  -7.063   1.192
  441    H    HIS  66           H        HIS  66  -5.714 -12.325   4.610
  442    HA   HIS  66           HA       HIS  66  -7.822 -13.981   4.477
  443   1HB   HIS  66          1HB       HIS  66  -6.355 -13.253   7.008
  444   2HB   HIS  66          2HB       HIS  66  -7.323 -14.708   6.755
  445    HD1  HIS  66           1HD      HIS  66  -6.200 -15.131   3.628
  446    HD2  HIS  66           2HD      HIS  66  -3.922 -14.322   7.104
  447    HE1  HIS  66           1HE      HIS  66  -3.855 -15.924   3.151
  448    HE2  HIS  66           2HE      HIS  66  -2.440 -15.411   5.244
  449    H    HIS  67           H        HIS  67  -9.453 -12.451   3.883
  450    HA   HIS  67           HA       HIS  67 -11.305 -11.392   5.737
  451   1HB   HIS  67          1HB       HIS  67 -12.750 -11.362   3.750
  452   2HB   HIS  67          2HB       HIS  67 -11.153 -10.780   3.360
  453    HD1  HIS  67           1HD      HIS  67 -13.635 -12.572   1.679
  454    HD2  HIS  67           2HD      HIS  67  -9.474 -13.138   2.272
  455    HE1  HIS  67           1HE      HIS  67 -12.704 -13.934  -0.333
  456    HE2  HIS  67           2HE      HIS  67 -10.079 -14.211   0.190
  457    H    HIS  68           H        HIS  68 -13.323 -12.318   6.511
  458    HA   HIS  68           HA       HIS  68 -13.920 -15.030   5.816
  459   1HB   HIS  68          1HB       HIS  68 -12.136 -15.283   7.663
  460   2HB   HIS  68          2HB       HIS  68 -13.355 -14.686   8.788
  461    HD1  HIS  68           1HD      HIS  68 -12.477 -17.685   6.628
  462    HD2  HIS  68           2HD      HIS  68 -15.694 -16.227   8.942
  463    HE1  HIS  68           1HE      HIS  68 -14.166 -19.638   6.858
  464    HE2  HIS  68           2HE      HIS  68 -16.127 -18.715   8.279
  465    H    HIS  69           H        HIS  69 -15.776 -14.043   5.115
  466    HA   HIS  69           HA       HIS  69 -17.650 -12.600   6.473
  467   1HB   HIS  69          1HB       HIS  69 -17.792 -13.240   4.072
  468   2HB   HIS  69          2HB       HIS  69 -18.122 -14.908   4.522
  469    HD1  HIS  69           1HD      HIS  69 -19.882 -11.453   4.514
  470    HD2  HIS  69           2HD      HIS  69 -20.562 -15.517   5.497
  471    HE1  HIS  69           1HE      HIS  69 -22.326 -11.661   5.335
  472    HE2  HIS  69           2HE      HIS  69 -22.597 -14.131   6.043
  473    H    HIS  70           H        HIS  70 -19.553 -13.008   7.671
  474    HA   HIS  70           HA       HIS  70 -19.972 -15.585   8.994
  475   1HB   HIS  70          1HB       HIS  70 -18.929 -14.374  10.792
  476   2HB   HIS  70          2HB       HIS  70 -19.569 -12.829  10.235
  477    HD1  HIS  70           1HD      HIS  70 -22.436 -12.921  10.214
  478    HD2  HIS  70           2HD      HIS  70 -20.195 -15.157  12.994
  479    HE1  HIS  70           1HE      HIS  70 -24.024 -13.370  12.260
  480    HE2  HIS  70           2HE      HIS  70 -22.618 -14.760  13.933
  Start of MODEL   19
    1   1H    GLU   1          1H        GLU   1 -12.976  -9.255  -3.130
    2   2H    GLU   1          2H        GLU   1 -13.856  -9.748  -4.415
    3   3H    GLU   1          H         GLU   1 -12.580 -10.663  -3.854
    4    HA   GLU   1           HA       GLU   1 -15.064 -10.044  -2.442
    5   1HB   GLU   1          1HB       GLU   1 -14.252 -12.803  -3.440
    6   2HB   GLU   1          2HB       GLU   1 -15.801 -12.308  -2.760
    7   1HG   GLU   1          1HG       GLU   1 -14.685 -11.836  -5.511
    8   2HG   GLU   1          2HG       GLU   1 -16.255 -12.497  -5.041
    9    H    ALA   2           H        ALA   2 -12.226  -9.783  -1.483
   10    HA   ALA   2           HA       ALA   2 -12.492 -11.399   0.993
   11   1HB   ALA   2          1HB       ALA   2 -11.203 -12.849  -0.557
   12   2HB   ALA   2          2HB       ALA   2 -10.041 -11.526  -0.828
   13   3HB   ALA   2          3HB       ALA   2 -10.185 -12.278   0.777
   14    H    GLU   3           H        GLU   3 -12.066  -8.472  -0.329
   15    HA   GLU   3           HA       GLU   3  -9.712  -7.390   0.905
   16   1HB   GLU   3          1HB       GLU   3 -12.124  -5.987  -0.342
   17   2HB   GLU   3          2HB       GLU   3 -10.536  -5.317  -0.096
   18   1HG   GLU   3          1HG       GLU   3 -10.737  -5.833  -2.421
   19   2HG   GLU   3          2HG       GLU   3  -9.603  -7.001  -1.733
   20    H    ALA   4           H        ALA   4 -13.148  -7.115   1.410
   21    HA   ALA   4           HA       ALA   4 -13.732  -5.155   3.010
   22   1HB   ALA   4          1HB       ALA   4 -15.695  -6.420   3.733
   23   2HB   ALA   4          2HB       ALA   4 -15.312  -6.744   2.034
   24   3HB   ALA   4          3HB       ALA   4 -14.899  -7.942   3.289
   25    H    GLU   5           H        GLU   5 -11.646  -7.497   4.472
   26    HA   GLU   5           HA       GLU   5 -12.618  -7.001   7.213
   27   1HB   GLU   5          1HB       GLU   5  -9.981  -8.096   6.181
   28   2HB   GLU   5          2HB       GLU   5 -10.377  -7.880   7.884
   29   1HG   GLU   5          1HG       GLU   5 -12.453  -9.386   7.372
   30   2HG   GLU   5          2HG       GLU   5 -11.529  -9.883   5.938
   31    H    PHE   6           H        PHE   6 -10.628  -5.308   4.834
   32    HA   PHE   6           HA       PHE   6 -10.106  -3.151   6.731
   33   1HB   PHE   6          1HB       PHE   6  -8.219  -4.818   7.034
   34   2HB   PHE   6          2HB       PHE   6  -7.853  -4.665   5.321
   35    HD1  PHE   6           1HD      PHE   6  -8.239  -2.557   8.434
   36    HD2  PHE   6           2HD      PHE   6  -6.210  -3.098   4.660
   37    HE1  PHE   6           1HE      PHE   6  -6.770  -0.617   8.931
   38    HE2  PHE   6           2HE      PHE   6  -4.770  -1.166   5.152
   39    HZ   PHE   6           HZ       PHE   6  -5.031   0.084   7.294
   40    H    THR   7           H        THR   7  -8.822  -1.344   5.375
   41    HA   THR   7           HA       THR   7 -10.215  -1.061   2.790
   42    HB   THR   7           HB       THR   7  -8.149   0.725   4.178
   43    HG1  THR   7           1HG      THR   7 -10.966   0.646   4.387
   44   1HG2  THR   7          1HG2      THR   7 -10.246   1.352   2.047
   45   2HG2  THR   7          2HG2      THR   7  -9.139   2.518   2.809
   46   3HG2  THR   7          3HG2      THR   7  -8.494   1.225   1.779
   47    H    ASP   8           H        ASP   8  -9.306  -2.824   1.659
   48    HA   ASP   8           HA       ASP   8  -6.663  -3.648   1.840
   49   1HB   ASP   8          1HB       ASP   8  -8.627  -4.937   1.027
   50   2HB   ASP   8          2HB       ASP   8  -8.425  -4.166  -0.561
   51    H    ALA   9           H        ALA   9  -5.219  -2.120   1.684
   52    HA   ALA   9           HA       ALA   9  -4.876  -0.095  -0.157
   53   1HB   ALA   9          1HB       ALA   9  -3.560  -0.279   1.895
   54   2HB   ALA   9          2HB       ALA   9  -2.781  -1.763   1.298
   55   3HB   ALA   9          3HB       ALA   9  -2.456  -0.217   0.502
   56    H    CYS  10           H        CYS  10  -4.324  -3.541  -0.665
   57    HA   CYS  10           HA       CYS  10  -2.285  -3.357  -2.657
   58   1HB   CYS  10          1HB       CYS  10  -3.196  -5.278  -1.091
   59   2HB   CYS  10          2HB       CYS  10  -4.388  -5.507  -2.349
   60    H    VAL  11           H        VAL  11  -5.837  -3.096  -2.604
   61    HA   VAL  11           HA       VAL  11  -6.040  -3.268  -5.553
   62    HB   VAL  11           HB       VAL  11  -8.254  -3.126  -3.468
   63   1HG1  VAL  11          1HG1      VAL  11  -9.038  -2.749  -5.777
   64   2HG1  VAL  11          2HG1      VAL  11  -8.207  -4.223  -6.319
   65   3HG1  VAL  11          3HG1      VAL  11  -9.585  -4.319  -5.201
   66   1HG2  VAL  11          1HG2      VAL  11  -6.873  -5.621  -4.560
   67   2HG2  VAL  11          2HG2      VAL  11  -6.950  -5.103  -2.863
   68   3HG2  VAL  11          3HG2      VAL  11  -8.412  -5.624  -3.674
   69    H    LEU  12           H        LEU  12  -5.317  -0.825  -3.339
   70    HA   LEU  12           HA       LEU  12  -7.183   1.136  -4.552
   71   1HB   LEU  12          1HB       LEU  12  -7.786   1.038  -2.411
   72   2HB   LEU  12          2HB       LEU  12  -6.182   0.614  -1.820
   73    HG   LEU  12           HG       LEU  12  -5.759   3.221  -2.512
   74   1HD1  LEU  12          1HD1      LEU  12  -8.318   3.343  -3.130
   75   2HD1  LEU  12          2HD1      LEU  12  -8.593   3.277  -1.401
   76   3HD1  LEU  12          3HD1      LEU  12  -7.620   4.609  -2.106
   77   1HD2  LEU  12          1HD2      LEU  12  -7.068   2.319   0.084
   78   2HD2  LEU  12          2HD2      LEU  12  -5.387   2.007  -0.351
   79   3HD2  LEU  12          3HD2      LEU  12  -5.916   3.660  -0.175
   80    HA   PRO  13           HA       PRO  13  -3.543   2.773  -6.366
   81   1HB   PRO  13          1HB       PRO  13  -4.348   5.372  -6.993
   82   2HB   PRO  13          2HB       PRO  13  -4.716   3.900  -7.919
   83   1HG   PRO  13          1HG       PRO  13  -6.458   5.459  -6.036
   84   2HG   PRO  13          2HG       PRO  13  -6.944   4.483  -7.453
   85   1HD   PRO  13          1HD       PRO  13  -7.071   3.736  -4.732
   86   2HD   PRO  13          2HD       PRO  13  -7.239   2.602  -6.085
   87    H    ALA  14           H        ALA  14  -1.994   4.473  -6.244
   88    HA   ALA  14           HA       ALA  14  -1.223   5.122  -3.502
   89   1HB   ALA  14          1HB       ALA  14   0.398   4.520  -5.345
   90   2HB   ALA  14          2HB       ALA  14  -0.007   6.043  -6.160
   91   3HB   ALA  14          3HB       ALA  14   0.764   6.069  -4.562
   92    H    VAL  15           H        VAL  15  -2.241   6.820  -2.458
   93    HA   VAL  15           HA       VAL  15  -3.423   8.977  -4.102
   94    HB   VAL  15           HB       VAL  15  -3.647   8.633  -1.117
   95   1HG1  VAL  15          1HG1      VAL  15  -4.324  10.838  -1.843
   96   2HG1  VAL  15          2HG1      VAL  15  -5.344  10.151  -3.136
   97   3HG1  VAL  15          3HG1      VAL  15  -5.766   9.924  -1.428
   98   1HG2  VAL  15          1HG2      VAL  15  -5.930   7.625  -1.656
   99   2HG2  VAL  15          2HG2      VAL  15  -5.394   7.471  -3.333
  100   3HG2  VAL  15          3HG2      VAL  15  -4.561   6.575  -2.045
  101    H    GLN  16           H        GLN  16  -2.604  10.905  -4.207
  102    HA   GLN  16           HA       GLN  16  -0.027  11.571  -2.887
  103   1HB   GLN  16          1HB       GLN  16  -1.621  13.299  -4.830
  104   2HB   GLN  16          2HB       GLN  16   0.021  13.549  -4.267
  105   1HG   GLN  16          1HG       GLN  16   0.603  11.357  -5.491
  106   2HG   GLN  16          2HG       GLN  16  -0.989  11.511  -6.259
  107   1HE2  GLN  16          1HE2      GLN  16   2.266  12.607  -6.275
  108   2HE2  GLN  16          2HE2      GLN  16   2.081  14.009  -7.315
  109    H    GLY  17           H        GLY  17  -3.433  12.517  -2.847
  110   1HA   GLY  17          1HA       GLY  17  -4.582  13.679  -1.227
  111   2HA   GLY  17          2HA       GLY  17  -3.067  14.301  -0.545
  112    HA   PRO  18           HA       PRO  18  -5.182  17.242  -3.605
  113   1HB   PRO  18          1HB       PRO  18  -5.715  19.375  -1.905
  114   2HB   PRO  18          2HB       PRO  18  -6.834  18.024  -2.250
  115   1HG   PRO  18          1HG       PRO  18  -4.991  18.367   0.120
  116   2HG   PRO  18          2HG       PRO  18  -6.691  17.804   0.096
  117   1HD   PRO  18          1HD       PRO  18  -4.590  16.066   0.252
  118   2HD   PRO  18          2HD       PRO  18  -6.055  15.647  -0.653
  119    H    CYS  19           H        CYS  19  -2.742  17.884  -1.087
  120    HA   CYS  19           HA       CYS  19  -1.692  20.263  -2.166
  121   1HB   CYS  19          1HB       CYS  19   0.005  18.248  -0.714
  122   2HB   CYS  19          2HB       CYS  19   0.109  19.971  -0.615
  123    H    ARG  20           H        ARG  20   0.311  20.570  -3.077
  124    HA   ARG  20           HA       ARG  20   1.363  18.511  -4.948
  125   1HB   ARG  20          1HB       ARG  20   0.851  21.399  -5.513
  126   2HB   ARG  20          2HB       ARG  20   2.152  20.568  -6.318
  127   1HG   ARG  20          1HG       ARG  20   0.256  20.661  -7.742
  128   2HG   ARG  20          2HG       ARG  20   0.660  19.008  -7.381
  129   1HD   ARG  20          1HD       ARG  20  -1.640  20.443  -6.015
  130   2HD   ARG  20          2HD       ARG  20  -1.805  19.715  -7.615
  131    HE   ARG  20           HE       ARG  20  -1.976  18.414  -5.130
  132   1HH1  ARG  20          2HH2      ARG  20  -0.901  17.669  -8.443
  133   2HH1  ARG  20          1HH2      ARG  20  -0.899  15.944  -8.136
  134   1HH2  ARG  20          2HH1      ARG  20  -1.957  16.134  -4.819
  135   2HH2  ARG  20          1HH1      ARG  20  -1.485  15.115  -6.149
  136    H    GLY  21           H        GLY  21   2.065  19.694  -2.188
  137   1HA   GLY  21          1HA       GLY  21   4.915  20.463  -2.523
  138   2HA   GLY  21          2HA       GLY  21   4.110  20.023  -0.976
  139    H    TRP  22           H        TRP  22   6.663  18.599  -1.840
  140    HA   TRP  22           HA       TRP  22   5.519  16.004  -2.616
  141   1HB   TRP  22          1HB       TRP  22   8.004  17.320  -3.686
  142   2HB   TRP  22          2HB       TRP  22   7.573  15.652  -3.950
  143    HD1  TRP  22           HD       TRP  22   7.911  18.134  -6.072
  144    HE1  TRP  22           1HE      TRP  22   6.100  18.577  -7.814
  145    HE3  TRP  22           3HE      TRP  22   3.998  15.547  -3.935
  146    HZ2  TRP  22           2HZ      TRP  22   3.314  17.902  -8.242
  147    HZ3  TRP  22           3HZ      TRP  22   1.822  15.498  -4.992
  148    HH2  TRP  22           HH       TRP  22   1.459  16.629  -7.190
  149    H    GLU  23           H        GLU  23   5.682  14.770  -1.190
  150    HA   GLU  23           HA       GLU  23   7.909  14.401   0.746
  151   1HB   GLU  23          1HB       GLU  23   6.065  15.391   1.887
  152   2HB   GLU  23          2HB       GLU  23   4.889  14.481   0.953
  153   1HG   GLU  23          1HG       GLU  23   4.710  13.582   3.026
  154   2HG   GLU  23          2HG       GLU  23   5.614  12.391   2.116
  155    HA   PRO  24           HA       PRO  24   7.710  10.442  -1.683
  156   1HB   PRO  24          1HB       PRO  24   9.815   9.163  -0.559
  157   2HB   PRO  24          2HB       PRO  24  10.017  10.533  -1.694
  158   1HG   PRO  24          1HG       PRO  24  10.106  10.598   1.340
  159   2HG   PRO  24          2HG       PRO  24  11.265  11.327   0.182
  160   1HD   PRO  24          1HD       PRO  24   9.255  12.752   1.346
  161   2HD   PRO  24          2HD       PRO  24   9.775  13.087  -0.333
  162    H    ARG  25           H        ARG  25   6.637   8.686  -1.403
  163    HA   ARG  25           HA       ARG  25   6.398   7.367   1.231
  164   1HB   ARG  25          1HB       ARG  25   4.068   8.245  -0.537
  165   2HB   ARG  25          2HB       ARG  25   3.891   6.989   0.690
  166   1HG   ARG  25          1HG       ARG  25   4.775   9.838   1.257
  167   2HG   ARG  25          2HG       ARG  25   3.144   9.197   1.452
  168   1HD   ARG  25          1HD       ARG  25   3.910   7.602   3.134
  169   2HD   ARG  25          2HD       ARG  25   5.574   8.168   2.970
  170    HE   ARG  25           HE       ARG  25   3.265   9.615   4.096
  171   1HH1  ARG  25          2HH2      ARG  25   6.722   9.854   3.145
  172   2HH1  ARG  25          1HH2      ARG  25   7.044  11.200   4.114
  173   1HH2  ARG  25          2HH1      ARG  25   3.755  11.565   5.370
  174   2HH2  ARG  25          1HH1      ARG  25   5.367  12.179   5.325
  175    H    TRP  26           H        TRP  26   5.059   5.237   0.714
  176    HA   TRP  26           HA       TRP  26   6.194   3.943  -1.712
  177   1HB   TRP  26          1HB       TRP  26   5.940   3.044   1.188
  178   2HB   TRP  26          2HB       TRP  26   6.106   1.897  -0.131
  179    HD1  TRP  26           HD       TRP  26   8.063   4.629   1.738
  180    HE1  TRP  26           1HE      TRP  26  10.566   4.294   1.332
  181    HE3  TRP  26           3HE      TRP  26   7.768   0.803  -1.547
  182    HZ2  TRP  26           2HZ      TRP  26  12.247   2.670  -0.446
  183    HZ3  TRP  26           3HZ      TRP  26   9.791   0.071  -2.856
  184    HH2  TRP  26           HH       TRP  26  12.036   0.940  -2.227
  185    H    ALA  27           H        ALA  27   4.663   2.613  -2.819
  186    HA   ALA  27           HA       ALA  27   2.110   2.052  -1.510
  187   1HB   ALA  27          1HB       ALA  27   2.234   3.641  -4.107
  188   2HB   ALA  27          2HB       ALA  27   0.816   2.734  -3.575
  189   3HB   ALA  27          3HB       ALA  27   1.379   4.069  -2.587
  190    H    TYR  28           H        TYR  28   1.073   0.299  -2.412
  191    HA   TYR  28           HA       TYR  28   2.778  -1.518  -3.946
  192   1HB   TYR  28          1HB       TYR  28   1.386  -2.416  -2.126
  193   2HB   TYR  28          2HB       TYR  28  -0.063  -1.796  -2.899
  194    HD1  TYR  28           1HD      TYR  28  -1.191  -3.008  -4.572
  195    HD2  TYR  28           2HD      TYR  28   2.818  -4.179  -3.483
  196    HE1  TYR  28           1HE      TYR  28  -1.427  -5.038  -5.927
  197    HE2  TYR  28           2HE      TYR  28   2.615  -6.178  -4.951
  198    HH   TYR  28           HH       TYR  28   1.058  -7.576  -6.196
  199    H    SER  29           H        SER  29   2.509  -2.095  -6.072
  200    HA   SER  29           HA       SER  29   0.317  -0.843  -7.623
  201   1HB   SER  29          1HB       SER  29   3.269  -1.057  -8.129
  202   2HB   SER  29          2HB       SER  29   2.209  -0.856  -9.483
  203    HG   SER  29           HG       SER  29   1.623   0.681  -7.246
  204    HA   PRO  30           HA       PRO  30  -0.189  -5.315  -8.312
  205   1HB   PRO  30          1HB       PRO  30  -2.580  -5.176  -9.707
  206   2HB   PRO  30          2HB       PRO  30  -2.448  -5.234  -7.930
  207   1HG   PRO  30          1HG       PRO  30  -2.839  -2.825  -9.707
  208   2HG   PRO  30          2HG       PRO  30  -3.628  -3.198  -8.142
  209   1HD   PRO  30          1HD       PRO  30  -1.540  -1.466  -8.349
  210   2HD   PRO  30          2HD       PRO  30  -1.736  -2.523  -6.920
  211    H    LEU  31           H        LEU  31  -0.531  -2.668 -10.657
  212    HA   LEU  31           HA       LEU  31  -0.045  -4.146 -13.037
  213   1HB   LEU  31          1HB       LEU  31   0.202  -1.250 -12.275
  214   2HB   LEU  31          2HB       LEU  31   0.701  -1.812 -13.867
  215    HG   LEU  31           HG       LEU  31  -2.056  -2.457 -12.755
  216   1HD1  LEU  31          1HD1      LEU  31  -1.762  -0.032 -12.797
  217   2HD1  LEU  31          2HD1      LEU  31  -1.208  -0.118 -14.492
  218   3HD1  LEU  31          3HD1      LEU  31  -2.882  -0.562 -14.069
  219   1HD2  LEU  31          1HD2      LEU  31  -1.376  -3.857 -14.691
  220   2HD2  LEU  31          2HD2      LEU  31  -2.642  -2.725 -15.157
  221   3HD2  LEU  31          3HD2      LEU  31  -0.955  -2.400 -15.611
  222    H    LEU  32           H        LEU  32   2.128  -3.408 -10.456
  223    HA   LEU  32           HA       LEU  32   4.489  -4.115 -12.135
  224   1HB   LEU  32          1HB       LEU  32   4.048  -2.306  -9.761
  225   2HB   LEU  32          2HB       LEU  32   5.628  -2.971 -10.017
  226    HG   LEU  32           HG       LEU  32   4.168  -1.386 -12.180
  227   1HD1  LEU  32          1HD1      LEU  32   6.202  -0.405 -10.140
  228   2HD1  LEU  32          2HD1      LEU  32   5.609   0.518 -11.540
  229   3HD1  LEU  32          3HD1      LEU  32   4.481   0.065 -10.259
  230   1HD2  LEU  32          1HD2      LEU  32   5.989  -2.811 -13.047
  231   2HD2  LEU  32          2HD2      LEU  32   6.453  -1.114 -13.128
  232   3HD2  LEU  32          3HD2      LEU  32   7.109  -2.152 -11.841
  233    H    GLN  33           H        GLN  33   2.254  -5.218 -10.046
  234    HA   GLN  33           HA       GLN  33   1.943  -6.599  -8.357
  235   1HB   GLN  33          1HB       GLN  33   2.461  -7.980 -10.475
  236   2HB   GLN  33          2HB       GLN  33   4.002  -8.352  -9.714
  237   1HG   GLN  33          1HG       GLN  33   1.208  -9.094  -8.813
  238   2HG   GLN  33          2HG       GLN  33   2.470 -10.178  -9.361
  239   1HE2  GLN  33          1HE2      GLN  33   4.015 -10.956  -7.791
  240   2HE2  GLN  33          2HE2      GLN  33   3.793 -10.596  -6.086
  241    H    GLN  34           H        GLN  34   3.609  -4.516  -7.593
  242    HA   GLN  34           HA       GLN  34   5.055  -5.676  -5.377
  243   1HB   GLN  34          1HB       GLN  34   6.635  -5.925  -7.512
  244   2HB   GLN  34          2HB       GLN  34   6.831  -4.176  -7.322
  245   1HG   GLN  34          1HG       GLN  34   7.712  -4.486  -5.054
  246   2HG   GLN  34          2HG       GLN  34   7.454  -6.229  -5.174
  247   1HE2  GLN  34          1HE2      GLN  34   8.490  -6.497  -7.955
  248   2HE2  GLN  34          2HE2      GLN  34  10.218  -6.236  -7.801
  249    H    CYS  35           H        CYS  35   6.181  -3.922  -4.150
  250    HA   CYS  35           HA       CYS  35   4.695  -1.375  -4.252
  251   1HB   CYS  35          1HB       CYS  35   6.617  -2.607  -2.271
  252   2HB   CYS  35          2HB       CYS  35   6.103  -0.941  -2.163
  253    H    HIS  36           H        HIS  36   5.659   0.540  -4.313
  254    HA   HIS  36           HA       HIS  36   8.546   0.769  -4.828
  255   1HB   HIS  36          1HB       HIS  36   8.409   1.872  -6.988
  256   2HB   HIS  36          2HB       HIS  36   7.681   0.282  -7.090
  257    HD1  HIS  36           1HD      HIS  36   6.639   4.016  -6.965
  258    HD2  HIS  36           2HD      HIS  36   5.017   0.175  -7.827
  259    HE1  HIS  36           1HE      HIS  36   4.307   4.378  -7.947
  260    HE2  HIS  36           2HE      HIS  36   3.361   1.995  -8.426
  261    HA   PRO  37           HA       PRO  37   7.895   4.711  -2.864
  262   1HB   PRO  37          1HB       PRO  37   9.859   5.988  -4.744
  263   2HB   PRO  37          2HB       PRO  37   9.881   5.948  -2.956
  264   1HG   PRO  37          1HG       PRO  37  11.570   4.400  -4.448
  265   2HG   PRO  37          2HG       PRO  37  10.834   3.801  -2.932
  266   1HD   PRO  37          1HD       PRO  37   9.972   3.249  -5.777
  267   2HD   PRO  37          2HD       PRO  37  10.127   2.121  -4.406
  268    H    PHE  38           H        PHE  38   6.995   7.046  -3.356
  269    HA   PHE  38           HA       PHE  38   6.542   7.718  -6.085
  270   1HB   PHE  38          1HB       PHE  38   4.232   7.572  -6.283
  271   2HB   PHE  38          2HB       PHE  38   4.660   6.012  -5.629
  272    HD1  PHE  38           1HD      PHE  38   4.289   5.615  -3.078
  273    HD2  PHE  38           2HD      PHE  38   2.636   8.981  -5.225
  274    HE1  PHE  38           1HE      PHE  38   2.534   5.906  -1.332
  275    HE2  PHE  38           2HE      PHE  38   0.928   9.255  -3.480
  276    HZ   PHE  38           HZ       PHE  38   0.861   7.707  -1.532
  277    H    VAL  39           H        VAL  39   5.057   9.817  -6.040
  278    HA   VAL  39           HA       VAL  39   6.196  11.462  -3.879
  279    HB   VAL  39           HB       VAL  39   5.135  12.386  -6.565
  280   1HG1  VAL  39          1HG1      VAL  39   6.550  14.325  -6.092
  281   2HG1  VAL  39          2HG1      VAL  39   5.557  14.007  -4.657
  282   3HG1  VAL  39          3HG1      VAL  39   7.253  13.512  -4.672
  283   1HG2  VAL  39          1HG2      VAL  39   7.515  12.470  -7.345
  284   2HG2  VAL  39          2HG2      VAL  39   7.990  11.506  -5.933
  285   3HG2  VAL  39          3HG2      VAL  39   6.914  10.822  -7.179
  286    H    TYR  40           H        TYR  40   4.837  12.045  -2.356
  287    HA   TYR  40           HA       TYR  40   1.930  12.277  -2.732
  288   1HB   TYR  40          1HB       TYR  40   2.244  10.339  -1.493
  289   2HB   TYR  40          2HB       TYR  40   3.713  10.886  -0.747
  290    HD1  TYR  40           1HD      TYR  40   3.776  11.885   1.276
  291    HD2  TYR  40           2HD      TYR  40  -0.058  11.317  -0.565
  292    HE1  TYR  40           1HE      TYR  40   2.695  12.202   3.477
  293    HE2  TYR  40           2HE      TYR  40  -1.155  11.739   1.614
  294    HH   TYR  40           HH       TYR  40  -0.713  12.587   3.831
  295    H    GLY  41           H        GLY  41   1.044  13.844  -0.887
  296   1HA   GLY  41          1HA       GLY  41   2.934  16.125  -0.766
  297   2HA   GLY  41          2HA       GLY  41   1.246  16.278  -1.162
  298    H    GLY  42           H        GLY  42   1.997  14.101   1.472
  299   1HA   GLY  42          1HA       GLY  42   2.261  14.358   3.729
  300   2HA   GLY  42          2HA       GLY  42   2.347  16.116   3.545
  301    H    CYS  43           H        CYS  43  -0.250  16.419   2.272
  302    HA   CYS  43           HA       CYS  43  -2.042  16.223   4.542
  303   1HB   CYS  43          1HB       CYS  43  -3.692  17.123   2.818
  304   2HB   CYS  43          2HB       CYS  43  -2.292  18.091   3.199
  305    H    GLU  44           H        GLU  44  -4.374  15.487   3.672
  306    HA   GLU  44           HA       GLU  44  -4.941  13.021   4.291
  307   1HB   GLU  44          1HB       GLU  44  -6.296  14.351   1.936
  308   2HB   GLU  44          2HB       GLU  44  -6.938  13.070   2.959
  309   1HG   GLU  44          1HG       GLU  44  -7.932  14.970   3.822
  310   2HG   GLU  44          2HG       GLU  44  -6.627  14.664   4.952
  311    H    GLY  45           H        GLY  45  -4.875  10.878   3.555
  312   1HA   GLY  45          1HA       GLY  45  -4.630  10.265   0.747
  313   2HA   GLY  45          2HA       GLY  45  -3.224   9.786   1.731
  314    H    ASN  46           H        ASN  46  -4.880   7.881   0.479
  315    HA   ASN  46           HA       ASN  46  -6.615   6.794   2.629
  316   1HB   ASN  46          1HB       ASN  46  -6.183   5.748  -0.179
  317   2HB   ASN  46          2HB       ASN  46  -7.329   5.119   0.994
  318   1HD2  ASN  46          1HD2      ASN  46  -9.007   5.334  -0.664
  319   2HD2  ASN  46          2HD2      ASN  46  -9.698   6.943  -0.839
  320    H    GLY  47           H        GLY  47  -6.350   4.166   2.261
  321   1HA   GLY  47          1HA       GLY  47  -4.257   3.502   4.007
  322   2HA   GLY  47          2HA       GLY  47  -5.230   2.342   3.105
  323    H    ASN  48           H        ASN  48  -4.087   3.472   0.429
  324    HA   ASN  48           HA       ASN  48  -1.606   1.867   0.566
  325   1HB   ASN  48          1HB       ASN  48  -3.266   1.473  -1.301
  326   2HB   ASN  48          2HB       ASN  48  -2.812   3.051  -1.947
  327   1HD2  ASN  48          1HD2      ASN  48  -2.291   1.248  -3.690
  328   2HD2  ASN  48          2HD2      ASN  48  -0.664   0.635  -3.756
  329    H    ASN  49           H        ASN  49  -0.957   3.608   2.082
  330    HA   ASN  49           HA       ASN  49   0.886   5.378   0.639
  331   1HB   ASN  49          1HB       ASN  49  -1.174   6.765   1.219
  332   2HB   ASN  49          2HB       ASN  49  -0.900   6.387   2.913
  333   1HD2  ASN  49          1HD2      ASN  49  -0.177   8.555   0.387
  334   2HD2  ASN  49          2HD2      ASN  49   1.039   9.459   1.237
  335    H    PHE  50           H        PHE  50   2.684   4.400   1.383
  336    HA   PHE  50           HA       PHE  50   2.794   3.522   4.219
  337   1HB   PHE  50          1HB       PHE  50   4.026   2.329   1.717
  338   2HB   PHE  50          2HB       PHE  50   4.433   1.791   3.282
  339    HD1  PHE  50           1HD      PHE  50   2.142   1.322   0.589
  340    HD2  PHE  50           2HD      PHE  50   2.318   1.272   4.895
  341    HE1  PHE  50           1HE      PHE  50   0.043   0.007   0.672
  342    HE2  PHE  50           2HE      PHE  50   0.197  -0.003   4.967
  343    HZ   PHE  50           HZ       PHE  50  -0.969  -0.583   2.862
  344    H    HIS  51           H        HIS  51   4.711   3.739   5.294
  345    HA   HIS  51           HA       HIS  51   6.223   6.177   4.429
  346   1HB   HIS  51          1HB       HIS  51   5.782   4.791   7.106
  347   2HB   HIS  51          2HB       HIS  51   7.016   6.002   6.845
  348    HD1  HIS  51           1HD      HIS  51   6.186   8.383   7.499
  349    HD2  HIS  51           2HD      HIS  51   3.119   5.834   6.067
  350    HE1  HIS  51           1HE      HIS  51   3.985   9.715   7.627
  351    HE2  HIS  51           2HE      HIS  51   2.128   8.133   6.723
  352    H    SER  52           H        SER  52   6.464   2.790   4.278
  353    HA   SER  52           HA       SER  52   9.377   2.910   3.878
  354   1HB   SER  52          1HB       SER  52   9.414   0.888   5.568
  355   2HB   SER  52          2HB       SER  52   9.400   2.533   6.206
  356    HG   SER  52           HG       SER  52   7.719   0.854   7.060
  357    H    ARG  53           H        ARG  53  10.154   0.741   3.234
  358    HA   ARG  53           HA       ARG  53   8.422  -0.480   1.213
  359   1HB   ARG  53          1HB       ARG  53  10.887  -0.375   0.925
  360   2HB   ARG  53          2HB       ARG  53  11.065  -1.472   2.302
  361   1HG   ARG  53          1HG       ARG  53  11.214  -2.789   0.352
  362   2HG   ARG  53          2HG       ARG  53   9.660  -3.166   1.063
  363   1HD   ARG  53          1HD       ARG  53   8.676  -1.489  -0.647
  364   2HD   ARG  53          2HD       ARG  53  10.262  -1.518  -1.421
  365    HE   ARG  53           HE       ARG  53   8.396  -3.788  -0.987
  366   1HH1  ARG  53          2HH2      ARG  53  10.746  -2.408  -3.289
  367   2HH1  ARG  53          1HH2      ARG  53  10.614  -3.816  -4.322
  368   1HH2  ARG  53          2HH1      ARG  53   8.586  -5.638  -2.119
  369   2HH2  ARG  53          1HH1      ARG  53   9.511  -5.703  -3.613
  370    H    GLU  54           H        GLU  54   9.681  -1.402   4.418
  371    HA   GLU  54           HA       GLU  54   8.651  -3.818   5.034
  372   1HB   GLU  54          1HB       GLU  54  10.026  -2.717   6.499
  373   2HB   GLU  54          2HB       GLU  54   9.211  -1.221   6.426
  374   1HG   GLU  54          1HG       GLU  54   7.524  -3.245   7.763
  375   2HG   GLU  54          2HG       GLU  54   9.129  -3.145   8.484
  376    H    SER  55           H        SER  55   6.874  -0.997   6.108
  377    HA   SER  55           HA       SER  55   4.452  -2.247   6.521
  378   1HB   SER  55          1HB       SER  55   3.359   0.013   6.307
  379   2HB   SER  55          2HB       SER  55   4.771  -0.061   7.362
  380    HG   SER  55           HG       SER  55   5.972   1.016   5.950
  381    H    CYS  56           H        CYS  56   5.532  -1.002   3.409
  382    HA   CYS  56           HA       CYS  56   3.036  -1.370   2.031
  383   1HB   CYS  56          1HB       CYS  56   5.224  -0.057   1.402
  384   2HB   CYS  56          2HB       CYS  56   5.773  -1.589   0.752
  385    H    GLU  57           H        GLU  57   5.910  -3.376   2.514
  386    HA   GLU  57           HA       GLU  57   5.021  -5.722   1.172
  387   1HB   GLU  57          1HB       GLU  57   6.824  -5.739   3.545
  388   2HB   GLU  57          2HB       GLU  57   6.462  -7.061   2.450
  389   1HG   GLU  57          1HG       GLU  57   8.083  -4.616   1.972
  390   2HG   GLU  57          2HG       GLU  57   8.408  -6.316   1.641
  391    H    ASP  58           H        ASP  58   4.355  -4.481   4.469
  392    HA   ASP  58           HA       ASP  58   2.931  -6.785   5.366
  393   1HB   ASP  58          1HB       ASP  58   3.664  -5.003   6.961
  394   2HB   ASP  58          2HB       ASP  58   2.264  -4.052   6.427
  395    H    ALA  59           H        ALA  59   2.056  -4.036   3.316
  396    HA   ALA  59           HA       ALA  59  -0.720  -5.090   3.121
  397   1HB   ALA  59          1HB       ALA  59  -1.056  -3.531   1.302
  398   2HB   ALA  59          2HB       ALA  59  -0.316  -2.745   2.709
  399   3HB   ALA  59          3HB       ALA  59   0.666  -3.111   1.274
  400    H    CYS  60           H        CYS  60   1.921  -4.977   0.580
  401    HA   CYS  60           HA       CYS  60   1.382  -7.673  -0.410
  402   1HB   CYS  60          1HB       CYS  60   0.581  -5.164  -1.892
  403   2HB   CYS  60          2HB       CYS  60   0.862  -6.655  -2.703
  404    HA   PRO  61           HA       PRO  61   2.097  -8.040  -3.207
  405   1HB   PRO  61          1HB       PRO  61   4.003  -9.685  -4.297
  406   2HB   PRO  61          2HB       PRO  61   3.873  -7.956  -4.720
  407   1HG   PRO  61          1HG       PRO  61   5.719  -9.210  -2.673
  408   2HG   PRO  61          2HG       PRO  61   6.131  -8.062  -3.988
  409   1HD   PRO  61          1HD       PRO  61   5.619  -7.259  -1.413
  410   2HD   PRO  61          2HD       PRO  61   5.191  -6.247  -2.819
  411    H    VAL  62           H        VAL  62   0.822  -9.086  -2.037
  412    HA   VAL  62           HA       VAL  62   0.606 -11.779  -1.429
  413    HB   VAL  62           HB       VAL  62   0.511  -9.968   0.999
  414   1HG1  VAL  62          1HG1      VAL  62   0.866 -13.006   0.810
  415   2HG1  VAL  62          2HG1      VAL  62   0.477 -12.066   2.267
  416   3HG1  VAL  62          3HG1      VAL  62  -0.711 -12.240   0.985
  417   1HG2  VAL  62          1HG2      VAL  62   2.935 -11.672   0.340
  418   2HG2  VAL  62          2HG2      VAL  62   2.896  -9.921   0.666
  419   3HG2  VAL  62          3HG2      VAL  62   2.565 -11.080   1.955
  420    H    VAL  63           H        VAL  63  -1.413 -10.857   0.381
  421    HA   VAL  63           HA       VAL  63  -3.145  -9.045  -1.212
  422    HB   VAL  63           HB       VAL  63  -4.235 -11.294   0.490
  423   1HG1  VAL  63          1HG1      VAL  63  -5.517  -9.529  -1.641
  424   2HG1  VAL  63          2HG1      VAL  63  -6.344 -10.803  -0.719
  425   3HG1  VAL  63          3HG1      VAL  63  -5.730  -9.369   0.111
  426   1HG2  VAL  63          1HG2      VAL  63  -3.101 -12.426  -1.391
  427   2HG2  VAL  63          2HG2      VAL  63  -4.850 -12.489  -1.636
  428   3HG2  VAL  63          3HG2      VAL  63  -3.872 -11.316  -2.545
  429    H    ASP  64           H        ASP  64  -4.239  -7.580   0.446
  430    HA   ASP  64           HA       ASP  64  -2.451  -6.565   2.310
  431   1HB   ASP  64          1HB       ASP  64  -4.293  -5.233   1.681
  432   2HB   ASP  64          2HB       ASP  64  -5.457  -6.402   2.340
  433    H    HIS  65           H        HIS  65  -1.552  -7.347   4.238
  434    HA   HIS  65           HA       HIS  65  -2.543  -9.765   5.350
  435   1HB   HIS  65          1HB       HIS  65  -0.611  -7.741   6.560
  436   2HB   HIS  65          2HB       HIS  65  -0.844  -9.386   7.066
  437    HD1  HIS  65           1HD      HIS  65   1.880  -8.626   6.702
  438    HD2  HIS  65           2HD      HIS  65  -0.406  -9.093   3.266
  439    HE1  HIS  65           1HE      HIS  65   3.516  -8.852   4.784
  440    HE2  HIS  65           2HE      HIS  65   2.109  -8.887   2.730
  441    H    HIS  66           H        HIS  66  -4.755  -8.836   5.535
  442    HA   HIS  66           HA       HIS  66  -5.857  -6.840   6.743
  443   1HB   HIS  66          1HB       HIS  66  -6.782  -9.690   7.161
  444   2HB   HIS  66          2HB       HIS  66  -7.762  -8.261   7.476
  445    HD1  HIS  66           1HD      HIS  66  -6.371  -6.874   4.577
  446    HD2  HIS  66           2HD      HIS  66  -8.656 -10.387   5.271
  447    HE1  HIS  66           1HE      HIS  66  -7.577  -7.424   2.390
  448    HE2  HIS  66           2HE      HIS  66  -8.978  -9.521   2.810
  449    H    HIS  67           H        HIS  67  -4.795  -5.798   8.153
  450    HA   HIS  67           HA       HIS  67  -3.801  -6.661  10.639
  451   1HB   HIS  67          1HB       HIS  67  -4.547  -3.773  10.230
  452   2HB   HIS  67          2HB       HIS  67  -3.069  -4.464  10.882
  453    HD1  HIS  67           1HD      HIS  67  -1.043  -5.132   8.786
  454    HD2  HIS  67           2HD      HIS  67  -4.830  -3.550   7.570
  455    HE1  HIS  67           1HE      HIS  67  -0.941  -4.815   6.375
  456    HE2  HIS  67           2HE      HIS  67  -3.210  -3.917   5.553
  457    H    HIS  68           H        HIS  68  -5.336  -7.823  11.686
  458    HA   HIS  68           HA       HIS  68  -8.091  -7.317  11.695
  459   1HB   HIS  68          1HB       HIS  68  -6.308  -9.127  13.322
  460   2HB   HIS  68          2HB       HIS  68  -7.974  -8.904  13.827
  461    HD1  HIS  68           1HD      HIS  68  -6.180  -9.944  10.477
  462    HD2  HIS  68           2HD      HIS  68  -9.924 -10.056  12.453
  463    HE1  HIS  68           1HE      HIS  68  -7.769 -11.315   9.033
  464    HE2  HIS  68           2HE      HIS  68 -10.001 -11.238  10.104
  465    H    HIS  69           H        HIS  69  -9.561  -6.809  13.283
  466    HA   HIS  69           HA       HIS  69  -8.936  -5.208  15.597
  467   1HB   HIS  69          1HB       HIS  69 -10.412  -3.343  14.721
  468   2HB   HIS  69          2HB       HIS  69  -8.886  -3.468  13.857
  469    HD1  HIS  69           1HD      HIS  69 -12.675  -4.214  13.327
  470    HD2  HIS  69           2HD      HIS  69  -8.970  -4.158  11.240
  471    HE1  HIS  69           1HE      HIS  69 -13.207  -4.599  10.854
  472    HE2  HIS  69           2HE      HIS  69 -10.977  -4.582   9.581
  473    H    HIS  70           H        HIS  70 -11.388  -4.655  16.458
  474    HA   HIS  70           HA       HIS  70 -12.880  -7.205  16.303
  475   1HB   HIS  70          1HB       HIS  70 -12.748  -5.865  18.478
  476   2HB   HIS  70          2HB       HIS  70 -13.670  -4.589  17.668
  477    HD1  HIS  70           1HD      HIS  70 -15.635  -6.796  16.176
  478    HD2  HIS  70           2HD      HIS  70 -14.737  -6.328  20.278
  479    HE1  HIS  70           1HE      HIS  70 -17.612  -7.861  17.489
  480    HE2  HIS  70           2HE      HIS  70 -17.043  -7.561  20.001
  Start of MODEL   20
    1   1H    GLU   1          1H        GLU   1  -0.300   2.183   5.483
    2   2H    GLU   1          2H        GLU   1   0.382   3.722   5.531
    3   3H    GLU   1          H         GLU   1  -0.689   3.297   4.360
    4    HA   GLU   1           HA       GLU   1  -1.250   3.570   7.217
    5   1HB   GLU   1          1HB       GLU   1  -1.632   5.352   4.825
    6   2HB   GLU   1          2HB       GLU   1  -2.914   5.327   6.025
    7   1HG   GLU   1          1HG       GLU   1  -1.508   7.100   6.634
    8   2HG   GLU   1          2HG       GLU   1  -1.293   5.827   7.826
    9    H    ALA   2           H        ALA   2  -4.148   3.958   6.726
   10    HA   ALA   2           HA       ALA   2  -5.158   1.847   5.116
   11   1HB   ALA   2          1HB       ALA   2  -4.585   0.514   7.152
   12   2HB   ALA   2          2HB       ALA   2  -5.500   1.669   8.154
   13   3HB   ALA   2          3HB       ALA   2  -6.338   0.669   6.950
   14    H    GLU   3           H        GLU   3  -7.714   1.959   5.589
   15    HA   GLU   3           HA       GLU   3  -8.464   4.751   6.321
   16   1HB   GLU   3          1HB       GLU   3  -9.809   2.956   4.254
   17   2HB   GLU   3          2HB       GLU   3 -10.441   4.464   4.884
   18   1HG   GLU   3          1HG       GLU   3  -9.477   5.432   3.132
   19   2HG   GLU   3          2HG       GLU   3  -7.982   5.328   4.044
   20    H    ALA   4           H        ALA   4 -10.347   1.696   5.880
   21    HA   ALA   4           HA       ALA   4 -11.048   1.816   8.773
   22   1HB   ALA   4          1HB       ALA   4 -12.948   2.467   7.307
   23   2HB   ALA   4          2HB       ALA   4 -12.804   0.917   6.448
   24   3HB   ALA   4          3HB       ALA   4 -13.263   0.951   8.167
   25    H    GLU   5           H        GLU   5 -11.979  -0.461   9.398
   26    HA   GLU   5           HA       GLU   5  -9.973  -2.474   9.100
   27   1HB   GLU   5          1HB       GLU   5 -12.856  -2.439  10.064
   28   2HB   GLU   5          2HB       GLU   5 -11.995  -3.968   9.937
   29   1HG   GLU   5          1HG       GLU   5 -10.780  -1.650  11.492
   30   2HG   GLU   5          2HG       GLU   5 -12.008  -2.698  12.207
   31    H    PHE   6           H        PHE   6 -13.162  -1.998   7.490
   32    HA   PHE   6           HA       PHE   6 -12.507  -4.173   5.570
   33   1HB   PHE   6          1HB       PHE   6 -14.849  -3.867   6.500
   34   2HB   PHE   6          2HB       PHE   6 -14.950  -2.353   5.617
   35    HD1  PHE   6           1HD      PHE   6 -15.173  -5.982   5.433
   36    HD2  PHE   6           2HD      PHE   6 -14.803  -2.399   3.052
   37    HE1  PHE   6           1HE      PHE   6 -15.892  -7.239   3.419
   38    HE2  PHE   6           2HE      PHE   6 -15.493  -3.665   1.045
   39    HZ   PHE   6           HZ       PHE   6 -16.038  -6.085   1.216
   40    H    THR   7           H        THR   7 -10.653  -3.225   4.727
   41    HA   THR   7           HA       THR   7 -10.937  -1.510   2.431
   42    HB   THR   7           HB       THR   7  -9.248  -0.675   4.843
   43    HG1  THR   7           1HG      THR   7 -11.691  -0.050   4.363
   44   1HG2  THR   7          1HG2      THR   7  -8.509   1.241   3.557
   45   2HG2  THR   7          2HG2      THR   7  -8.011  -0.226   2.750
   46   3HG2  THR   7          3HG2      THR   7  -9.407   0.696   2.131
   47    H    ASP   8           H        ASP   8  -9.042  -2.090   1.058
   48    HA   ASP   8           HA       ASP   8  -6.905  -3.579   2.378
   49   1HB   ASP   8          1HB       ASP   8  -8.676  -5.172   1.470
   50   2HB   ASP   8          2HB       ASP   8  -8.130  -4.708  -0.150
   51    H    ALA   9           H        ALA   9  -5.336  -2.195   2.024
   52    HA   ALA   9           HA       ALA   9  -5.237  -0.203   0.090
   53   1HB   ALA   9          1HB       ALA   9  -3.927  -0.121   2.140
   54   2HB   ALA   9          2HB       ALA   9  -3.005  -1.564   1.654
   55   3HB   ALA   9          3HB       ALA   9  -2.817  -0.051   0.758
   56    H    CYS  10           H        CYS  10  -4.314  -3.595  -0.280
   57    HA   CYS  10           HA       CYS  10  -2.446  -3.422  -2.386
   58   1HB   CYS  10          1HB       CYS  10  -3.187  -5.360  -0.911
   59   2HB   CYS  10          2HB       CYS  10  -4.609  -5.504  -1.932
   60    H    VAL  11           H        VAL  11  -5.966  -3.037  -2.347
   61    HA   VAL  11           HA       VAL  11  -6.180  -3.304  -5.278
   62    HB   VAL  11           HB       VAL  11  -8.433  -2.975  -3.263
   63   1HG1  VAL  11          1HG1      VAL  11  -9.714  -4.313  -4.931
   64   2HG1  VAL  11          2HG1      VAL  11  -9.108  -2.819  -5.635
   65   3HG1  VAL  11          3HG1      VAL  11  -8.285  -4.351  -5.990
   66   1HG2  VAL  11          1HG2      VAL  11  -8.630  -5.478  -3.233
   67   2HG2  VAL  11          2HG2      VAL  11  -7.055  -5.583  -4.048
   68   3HG2  VAL  11          3HG2      VAL  11  -7.190  -4.899  -2.412
   69    H    LEU  12           H        LEU  12  -5.356  -0.748  -3.246
   70    HA   LEU  12           HA       LEU  12  -7.210   1.183  -4.528
   71   1HB   LEU  12          1HB       LEU  12  -7.712   1.268  -2.326
   72   2HB   LEU  12          2HB       LEU  12  -6.086   0.850  -1.794
   73    HG   LEU  12           HG       LEU  12  -5.700   3.382  -2.818
   74   1HD1  LEU  12          1HD1      LEU  12  -7.491   4.833  -2.205
   75   2HD1  LEU  12          2HD1      LEU  12  -8.248   3.559  -3.185
   76   3HD1  LEU  12          3HD1      LEU  12  -8.399   3.516  -1.429
   77   1HD2  LEU  12          1HD2      LEU  12  -5.435   4.059  -0.609
   78   2HD2  LEU  12          2HD2      LEU  12  -6.656   2.911   0.011
   79   3HD2  LEU  12          3HD2      LEU  12  -5.100   2.330  -0.572
   80    HA   PRO  13           HA       PRO  13  -3.518   2.556  -6.534
   81   1HB   PRO  13          1HB       PRO  13  -4.208   5.177  -7.209
   82   2HB   PRO  13          2HB       PRO  13  -4.686   3.708  -8.086
   83   1HG   PRO  13          1HG       PRO  13  -6.283   5.419  -6.217
   84   2HG   PRO  13          2HG       PRO  13  -6.861   4.404  -7.572
   85   1HD   PRO  13          1HD       PRO  13  -6.906   3.801  -4.799
   86   2HD   PRO  13          2HD       PRO  13  -7.246   2.633  -6.089
   87    H    ALA  14           H        ALA  14  -1.931   4.386  -6.509
   88    HA   ALA  14           HA       ALA  14  -1.112   4.957  -3.747
   89   1HB   ALA  14          1HB       ALA  14   0.808   6.032  -4.795
   90   2HB   ALA  14          2HB       ALA  14   0.511   4.498  -5.640
   91   3HB   ALA  14          3HB       ALA  14   0.019   6.030  -6.384
   92    H    VAL  15           H        VAL  15  -2.248   6.570  -2.647
   93    HA   VAL  15           HA       VAL  15  -3.431   8.746  -4.269
   94    HB   VAL  15           HB       VAL  15  -3.753   8.329  -1.331
   95   1HG1  VAL  15          1HG1      VAL  15  -5.291  10.029  -3.329
   96   2HG1  VAL  15          2HG1      VAL  15  -5.784   9.750  -1.651
   97   3HG1  VAL  15          3HG1      VAL  15  -4.279  10.602  -1.974
   98   1HG2  VAL  15          1HG2      VAL  15  -4.759   6.367  -2.398
   99   2HG2  VAL  15          2HG2      VAL  15  -6.088   7.478  -2.053
  100   3HG2  VAL  15          3HG2      VAL  15  -5.463   7.375  -3.688
  101    H    GLN  16           H        GLN  16  -2.566  10.458  -4.479
  102    HA   GLN  16           HA       GLN  16   0.006  11.264  -3.234
  103   1HB   GLN  16          1HB       GLN  16  -1.446  12.549  -5.588
  104   2HB   GLN  16          2HB       GLN  16   0.212  12.845  -5.056
  105   1HG   GLN  16          1HG       GLN  16   0.668  10.357  -5.525
  106   2HG   GLN  16          2HG       GLN  16  -0.912  10.298  -6.307
  107   1HE2  GLN  16          1HE2      GLN  16   2.240  12.004  -6.371
  108   2HE2  GLN  16          2HE2      GLN  16   2.146  12.420  -8.096
  109    H    GLY  17           H        GLY  17  -3.361  12.220  -3.263
  110   1HA   GLY  17          1HA       GLY  17  -4.468  13.543  -1.791
  111   2HA   GLY  17          2HA       GLY  17  -2.937  14.099  -1.080
  112    HA   PRO  18           HA       PRO  18  -4.664  17.221  -4.159
  113   1HB   PRO  18          1HB       PRO  18  -5.861  19.103  -2.585
  114   2HB   PRO  18          2HB       PRO  18  -6.650  17.555  -3.005
  115   1HG   PRO  18          1HG       PRO  18  -5.118  18.228  -0.468
  116   2HG   PRO  18          2HG       PRO  18  -6.747  17.497  -0.614
  117   1HD   PRO  18          1HD       PRO  18  -4.514  15.960  -0.264
  118   2HD   PRO  18          2HD       PRO  18  -5.871  15.422  -1.286
  119    H    CYS  19           H        CYS  19  -2.338  17.468  -1.627
  120    HA   CYS  19           HA       CYS  19  -1.810  20.299  -1.936
  121   1HB   CYS  19          1HB       CYS  19  -0.325  18.162  -0.392
  122   2HB   CYS  19          2HB       CYS  19   0.065  19.886  -0.362
  123    H    ARG  20           H        ARG  20   0.724  20.814  -2.003
  124    HA   ARG  20           HA       ARG  20   1.828  19.697  -4.514
  125   1HB   ARG  20          1HB       ARG  20   1.156  22.579  -3.917
  126   2HB   ARG  20          2HB       ARG  20   2.472  22.153  -4.995
  127   1HG   ARG  20          1HG       ARG  20   1.075  21.826  -6.688
  128   2HG   ARG  20          2HG       ARG  20   0.274  20.520  -5.849
  129   1HD   ARG  20          1HD       ARG  20  -0.446  23.458  -5.576
  130   2HD   ARG  20          2HD       ARG  20  -1.213  22.333  -6.695
  131    HE   ARG  20           HE       ARG  20  -1.938  20.976  -4.744
  132   1HH1  ARG  20          2HH2      ARG  20  -1.390  24.458  -4.275
  133   2HH1  ARG  20          1HH2      ARG  20  -2.616  24.631  -3.069
  134   1HH2  ARG  20          2HH1      ARG  20  -3.572  21.213  -3.240
  135   2HH2  ARG  20          1HH1      ARG  20  -3.900  22.699  -2.417
  136    H    GLY  21           H        GLY  21   2.409  19.715  -1.548
  137   1HA   GLY  21          1HA       GLY  21   5.293  20.535  -1.526
  138   2HA   GLY  21          2HA       GLY  21   4.334  20.046  -0.081
  139    H    TRP  22           H        TRP  22   6.772  18.460  -1.076
  140    HA   TRP  22           HA       TRP  22   5.327  16.055  -2.040
  141   1HB   TRP  22          1HB       TRP  22   7.996  17.063  -3.009
  142   2HB   TRP  22          2HB       TRP  22   7.189  15.598  -3.519
  143    HD1  TRP  22           HD       TRP  22   7.919  18.711  -4.883
  144    HE1  TRP  22           1HE      TRP  22   6.186  19.700  -6.477
  145    HE3  TRP  22           3HE      TRP  22   3.863  15.806  -3.647
  146    HZ2  TRP  22           2HZ      TRP  22   3.409  19.285  -7.167
  147    HZ3  TRP  22           3HZ      TRP  22   1.704  16.136  -4.785
  148    HH2  TRP  22           HH       TRP  22   1.459  17.851  -6.553
  149    H    GLU  23           H        GLU  23   5.269  14.805  -0.502
  150    HA   GLU  23           HA       GLU  23   7.464  14.132   1.375
  151   1HB   GLU  23          1HB       GLU  23   5.439  14.724   2.489
  152   2HB   GLU  23          2HB       GLU  23   4.448  13.880   1.316
  153   1HG   GLU  23          1HG       GLU  23   4.244  12.623   3.196
  154   2HG   GLU  23          2HG       GLU  23   5.334  11.699   2.176
  155    HA   PRO  24           HA       PRO  24   7.755  10.489  -1.576
  156   1HB   PRO  24          1HB       PRO  24   9.950   9.346  -0.492
  157   2HB   PRO  24          2HB       PRO  24  10.057  10.828  -1.492
  158   1HG   PRO  24          1HG       PRO  24  10.078  10.613   1.531
  159   2HG   PRO  24          2HG       PRO  24  11.159  11.578   0.480
  160   1HD   PRO  24          1HD       PRO  24   8.957  12.618   1.747
  161   2HD   PRO  24          2HD       PRO  24   9.520  13.232   0.163
  162    H    ARG  25           H        ARG  25   6.555   8.789  -1.374
  163    HA   ARG  25           HA       ARG  25   6.404   7.329   1.210
  164   1HB   ARG  25          1HB       ARG  25   4.055   8.259  -0.504
  165   2HB   ARG  25          2HB       ARG  25   3.898   7.018   0.745
  166   1HG   ARG  25          1HG       ARG  25   4.848   9.856   1.234
  167   2HG   ARG  25          2HG       ARG  25   3.214   9.263   1.485
  168   1HD   ARG  25          1HD       ARG  25   4.044   7.614   3.134
  169   2HD   ARG  25          2HD       ARG  25   5.679   8.252   2.947
  170    HE   ARG  25           HE       ARG  25   5.133  10.237   4.034
  171   1HH1  ARG  25          2HH2      ARG  25   2.210   8.213   3.897
  172   2HH1  ARG  25          1HH2      ARG  25   1.602   8.687   5.424
  173   1HH2  ARG  25          2HH1      ARG  25   4.181  11.300   5.575
  174   2HH2  ARG  25          1HH1      ARG  25   2.547  10.959   6.151
  175    H    TRP  26           H        TRP  26   5.041   5.249   0.667
  176    HA   TRP  26           HA       TRP  26   6.184   3.964  -1.771
  177   1HB   TRP  26          1HB       TRP  26   5.887   3.092   1.135
  178   2HB   TRP  26          2HB       TRP  26   6.039   1.922  -0.163
  179    HD1  TRP  26           HD       TRP  26   8.080   4.662   1.623
  180    HE1  TRP  26           1HE      TRP  26  10.560   4.243   1.189
  181    HE3  TRP  26           3HE      TRP  26   7.620   0.747  -1.545
  182    HZ2  TRP  26           2HZ      TRP  26  12.169   2.476  -0.555
  183    HZ3  TRP  26           3HZ      TRP  26   9.570  -0.015  -2.925
  184    HH2  TRP  26           HH       TRP  26  11.840   0.685  -2.290
  185    H    ALA  27           H        ALA  27   4.634   2.755  -3.004
  186    HA   ALA  27           HA       ALA  27   2.099   2.076  -1.659
  187   1HB   ALA  27          1HB       ALA  27   0.746   2.801  -3.632
  188   2HB   ALA  27          2HB       ALA  27   1.391   4.140  -2.698
  189   3HB   ALA  27          3HB       ALA  27   2.158   3.671  -4.249
  190    H    TYR  28           H        TYR  28   1.093   0.328  -2.512
  191    HA   TYR  28           HA       TYR  28   2.778  -1.489  -4.025
  192   1HB   TYR  28          1HB       TYR  28   1.307  -2.309  -2.171
  193   2HB   TYR  28          2HB       TYR  28  -0.112  -1.746  -3.047
  194    HD1  TYR  28           1HD      TYR  28  -1.213  -3.233  -4.559
  195    HD2  TYR  28           2HD      TYR  28   2.876  -3.999  -3.414
  196    HE1  TYR  28           1HE      TYR  28  -1.270  -5.374  -5.784
  197    HE2  TYR  28           2HE      TYR  28   2.826  -6.133  -4.643
  198    HH   TYR  28           HH       TYR  28   1.539  -7.607  -5.854
  199    H    SER  29           H        SER  29   2.572  -2.079  -6.111
  200    HA   SER  29           HA       SER  29   0.400  -0.874  -7.742
  201   1HB   SER  29          1HB       SER  29   3.370  -1.107  -8.151
  202   2HB   SER  29          2HB       SER  29   2.349  -0.940  -9.543
  203    HG   SER  29           HG       SER  29   1.762   0.665  -7.341
  204    HA   PRO  30           HA       PRO  30  -0.046  -5.379  -8.210
  205   1HB   PRO  30          1HB       PRO  30  -2.448  -5.311  -9.610
  206   2HB   PRO  30          2HB       PRO  30  -2.299  -5.334  -7.830
  207   1HG   PRO  30          1HG       PRO  30  -2.789  -2.990  -9.652
  208   2HG   PRO  30          2HG       PRO  30  -3.498  -3.321  -8.043
  209   1HD   PRO  30          1HD       PRO  30  -1.447  -1.559  -8.427
  210   2HD   PRO  30          2HD       PRO  30  -1.593  -2.529  -6.931
  211    H    LEU  31           H        LEU  31  -0.411  -2.836 -10.706
  212    HA   LEU  31           HA       LEU  31   0.112  -4.431 -12.995
  213   1HB   LEU  31          1HB       LEU  31   0.627  -1.473 -12.448
  214   2HB   LEU  31          2HB       LEU  31   0.821  -2.271 -13.991
  215    HG   LEU  31           HG       LEU  31  -1.734  -3.074 -13.422
  216   1HD1  LEU  31          1HD1      LEU  31  -2.997  -1.141 -12.584
  217   2HD1  LEU  31          2HD1      LEU  31  -1.854  -1.683 -11.354
  218   3HD1  LEU  31          3HD1      LEU  31  -1.496  -0.234 -12.320
  219   1HD2  LEU  31          1HD2      LEU  31  -0.970  -2.101 -15.531
  220   2HD2  LEU  31          2HD2      LEU  31  -2.469  -1.331 -14.993
  221   3HD2  LEU  31          3HD2      LEU  31  -0.914  -0.484 -14.796
  222    H    LEU  32           H        LEU  32   2.240  -3.525 -10.412
  223    HA   LEU  32           HA       LEU  32   4.635  -4.329 -11.994
  224   1HB   LEU  32          1HB       LEU  32   4.154  -2.478  -9.664
  225   2HB   LEU  32          2HB       LEU  32   5.745  -3.125  -9.922
  226    HG   LEU  32           HG       LEU  32   4.269  -1.592 -12.102
  227   1HD1  LEU  32          1HD1      LEU  32   6.292  -0.559 -10.074
  228   2HD1  LEU  32          2HD1      LEU  32   5.713   0.334 -11.499
  229   3HD1  LEU  32          3HD1      LEU  32   4.575  -0.089 -10.219
  230   1HD2  LEU  32          1HD2      LEU  32   6.549  -1.320 -13.059
  231   2HD2  LEU  32          2HD2      LEU  32   7.217  -2.324 -11.750
  232   3HD2  LEU  32          3HD2      LEU  32   6.101  -3.019 -12.940
  233    H    GLN  33           H        GLN  33   2.325  -5.378  -9.918
  234    HA   GLN  33           HA       GLN  33   1.949  -6.777  -8.322
  235   1HB   GLN  33          1HB       GLN  33   2.795  -8.182 -10.294
  236   2HB   GLN  33          2HB       GLN  33   4.298  -8.377  -9.393
  237   1HG   GLN  33          1HG       GLN  33   2.086  -8.945  -7.623
  238   2HG   GLN  33          2HG       GLN  33   1.767  -9.768  -9.137
  239   1HE2  GLN  33          1HE2      GLN  33   4.493  -9.291  -6.800
  240   2HE2  GLN  33          2HE2      GLN  33   5.054 -10.970  -6.942
  241    H    GLN  34           H        GLN  34   3.773  -4.541  -7.587
  242    HA   GLN  34           HA       GLN  34   4.956  -5.645  -5.137
  243   1HB   GLN  34          1HB       GLN  34   6.563  -6.098  -7.203
  244   2HB   GLN  34          2HB       GLN  34   6.862  -4.353  -7.079
  245   1HG   GLN  34          1HG       GLN  34   7.774  -4.585  -4.863
  246   2HG   GLN  34          2HG       GLN  34   7.338  -6.300  -4.812
  247   1HE2  GLN  34          1HE2      GLN  34   8.287  -7.592  -6.845
  248   2HE2  GLN  34          2HE2      GLN  34   9.959  -7.209  -7.213
  249    H    CYS  35           H        CYS  35   6.137  -3.866  -3.943
  250    HA   CYS  35           HA       CYS  35   4.744  -1.282  -4.329
  251   1HB   CYS  35          1HB       CYS  35   6.472  -2.400  -2.135
  252   2HB   CYS  35          2HB       CYS  35   6.066  -0.699  -2.217
  253    H    HIS  36           H        HIS  36   5.643   0.584  -4.462
  254    HA   HIS  36           HA       HIS  36   8.572   0.860  -4.865
  255   1HB   HIS  36          1HB       HIS  36   8.456   1.970  -7.013
  256   2HB   HIS  36          2HB       HIS  36   7.740   0.373  -7.133
  257    HD1  HIS  36           1HD      HIS  36   6.667   4.106  -7.000
  258    HD2  HIS  36           2HD      HIS  36   5.083   0.251  -7.874
  259    HE1  HIS  36           1HE      HIS  36   4.356   4.453  -8.028
  260    HE2  HIS  36           2HE      HIS  36   3.421   2.057  -8.506
  261    HA   PRO  37           HA       PRO  37   7.911   4.781  -2.889
  262   1HB   PRO  37          1HB       PRO  37   9.918   6.021  -4.760
  263   2HB   PRO  37          2HB       PRO  37   9.892   6.037  -2.969
  264   1HG   PRO  37          1HG       PRO  37  11.607   4.426  -4.355
  265   2HG   PRO  37          2HG       PRO  37  10.804   3.868  -2.855
  266   1HD   PRO  37          1HD       PRO  37  10.053   3.254  -5.720
  267   2HD   PRO  37          2HD       PRO  37  10.126   2.171  -4.312
  268    H    PHE  38           H        PHE  38   7.070   7.144  -3.362
  269    HA   PHE  38           HA       PHE  38   6.628   7.894  -6.062
  270   1HB   PHE  38          1HB       PHE  38   4.312   7.737  -6.283
  271   2HB   PHE  38          2HB       PHE  38   4.767   6.151  -5.718
  272    HD1  PHE  38           1HD      PHE  38   2.584   8.937  -5.230
  273    HD2  PHE  38           2HD      PHE  38   4.512   5.714  -3.095
  274    HE1  PHE  38           1HE      PHE  38   0.870   9.073  -3.473
  275    HE2  PHE  38           2HE      PHE  38   2.761   5.873  -1.342
  276    HZ   PHE  38           HZ       PHE  38   0.934   7.530  -1.535
  277    H    VAL  39           H        VAL  39   4.968   9.911  -5.888
  278    HA   VAL  39           HA       VAL  39   6.034  11.591  -3.688
  279    HB   VAL  39           HB       VAL  39   5.163  12.159  -6.553
  280   1HG1  VAL  39          1HG1      VAL  39   5.783  14.099  -4.304
  281   2HG1  VAL  39          2HG1      VAL  39   5.830  14.552  -6.026
  282   3HG1  VAL  39          3HG1      VAL  39   4.319  14.006  -5.297
  283   1HG2  VAL  39          1HG2      VAL  39   7.470  11.290  -6.297
  284   2HG2  VAL  39          2HG2      VAL  39   7.484  12.988  -6.783
  285   3HG2  VAL  39          3HG2      VAL  39   7.818  12.551  -5.095
  286    H    TYR  40           H        TYR  40   4.624  12.117  -2.159
  287    HA   TYR  40           HA       TYR  40   1.732  12.325  -2.686
  288   1HB   TYR  40          1HB       TYR  40   1.924  10.333  -1.470
  289   2HB   TYR  40          2HB       TYR  40   3.332  10.870  -0.591
  290    HD1  TYR  40           1HD      TYR  40   3.177  11.525   1.559
  291    HD2  TYR  40           2HD      TYR  40  -0.409  11.561  -0.801
  292    HE1  TYR  40           1HE      TYR  40   1.839  11.816   3.615
  293    HE2  TYR  40           2HE      TYR  40  -1.734  12.062   1.237
  294    HH   TYR  40           HH       TYR  40  -1.516  12.707   3.535
  295    H    GLY  41           H        GLY  41   0.760  13.836  -1.000
  296   1HA   GLY  41          1HA       GLY  41   2.630  16.107  -0.640
  297   2HA   GLY  41          2HA       GLY  41   0.933  16.249  -0.986
  298    H    GLY  42           H        GLY  42   1.629  13.946   1.521
  299   1HA   GLY  42          1HA       GLY  42   1.816  14.020   3.792
  300   2HA   GLY  42          2HA       GLY  42   2.166  15.743   3.706
  301    H    CYS  43           H        CYS  43  -0.407  16.275   2.346
  302    HA   CYS  43           HA       CYS  43  -2.247  16.358   4.603
  303   1HB   CYS  43          1HB       CYS  43  -3.452  17.931   3.320
  304   2HB   CYS  43          2HB       CYS  43  -1.757  18.310   3.191
  305    H    GLU  44           H        GLU  44  -4.692  16.124   3.428
  306    HA   GLU  44           HA       GLU  44  -5.583  13.697   3.900
  307   1HB   GLU  44          1HB       GLU  44  -6.567  15.209   1.468
  308   2HB   GLU  44          2HB       GLU  44  -7.431  14.005   2.416
  309   1HG   GLU  44          1HG       GLU  44  -8.310  15.951   3.237
  310   2HG   GLU  44          2HG       GLU  44  -7.085  15.593   4.440
  311    H    GLY  45           H        GLY  45  -5.609  11.594   3.104
  312   1HA   GLY  45          1HA       GLY  45  -5.182  10.831   0.416
  313   2HA   GLY  45          2HA       GLY  45  -3.696  10.639   1.383
  314    H    ASN  46           H        ASN  46  -4.396   8.306   0.670
  315    HA   ASN  46           HA       ASN  46  -6.328   7.124   2.613
  316   1HB   ASN  46          1HB       ASN  46  -5.615   6.172  -0.161
  317   2HB   ASN  46          2HB       ASN  46  -6.671   5.356   0.923
  318   1HD2  ASN  46          1HD2      ASN  46  -8.595   5.324   0.075
  319   2HD2  ASN  46          2HD2      ASN  46  -9.479   6.763  -0.449
  320    H    GLY  47           H        GLY  47  -5.787   4.512   2.231
  321   1HA   GLY  47          1HA       GLY  47  -3.599   4.166   3.983
  322   2HA   GLY  47          2HA       GLY  47  -4.668   2.923   3.329
  323    H    ASN  48           H        ASN  48  -3.926   3.432   0.484
  324    HA   ASN  48           HA       ASN  48  -1.429   1.891   0.504
  325   1HB   ASN  48          1HB       ASN  48  -3.186   1.322  -1.155
  326   2HB   ASN  48          2HB       ASN  48  -2.882   2.865  -1.963
  327   1HD2  ASN  48          1HD2      ASN  48  -2.332   1.298  -3.756
  328   2HD2  ASN  48          2HD2      ASN  48  -0.713   0.677  -3.912
  329    H    ASN  49           H        ASN  49  -0.473   3.542   1.677
  330    HA   ASN  49           HA       ASN  49   1.283   5.334   0.238
  331   1HB   ASN  49          1HB       ASN  49  -0.879   6.639   0.514
  332   2HB   ASN  49          2HB       ASN  49  -0.823   6.310   2.248
  333   1HD2  ASN  49          1HD2      ASN  49  -0.388   8.797   0.261
  334   2HD2  ASN  49          2HD2      ASN  49   0.875   9.611   1.133
  335    H    PHE  50           H        PHE  50   3.055   4.493   1.296
  336    HA   PHE  50           HA       PHE  50   2.904   3.873   4.207
  337   1HB   PHE  50          1HB       PHE  50   4.027   2.295   1.861
  338   2HB   PHE  50          2HB       PHE  50   4.580   1.959   3.430
  339    HD1  PHE  50           1HD      PHE  50   2.852   1.336   5.262
  340    HD2  PHE  50           2HD      PHE  50   1.814   1.566   1.081
  341    HE1  PHE  50           1HE      PHE  50   0.758   0.074   5.712
  342    HE2  PHE  50           2HE      PHE  50  -0.291   0.346   1.552
  343    HZ   PHE  50           HZ       PHE  50  -0.853  -0.342   3.870
  344    H    HIS  51           H        HIS  51   4.962   3.725   5.249
  345    HA   HIS  51           HA       HIS  51   6.661   6.043   4.468
  346   1HB   HIS  51          1HB       HIS  51   6.423   4.397   7.034
  347   2HB   HIS  51          2HB       HIS  51   7.559   5.707   6.785
  348    HD1  HIS  51           1HD      HIS  51   6.588   8.195   7.096
  349    HD2  HIS  51           2HD      HIS  51   3.649   5.134   6.887
  350    HE1  HIS  51           1HE      HIS  51   4.312   9.272   7.610
  351    HE2  HIS  51           2HE      HIS  51   2.537   7.364   7.326
  352    H    SER  52           H        SER  52   6.686   2.572   4.218
  353    HA   SER  52           HA       SER  52   9.585   2.647   3.673
  354   1HB   SER  52          1HB       SER  52   9.697   0.553   5.248
  355   2HB   SER  52          2HB       SER  52   9.733   2.168   5.962
  356    HG   SER  52           HG       SER  52   8.147   0.417   6.813
  357    H    ARG  53           H        ARG  53  10.345   0.642   2.821
  358    HA   ARG  53           HA       ARG  53   8.673  -0.515   0.769
  359   1HB   ARG  53          1HB       ARG  53  11.084  -0.372   0.513
  360   2HB   ARG  53          2HB       ARG  53  11.329  -1.390   1.932
  361   1HG   ARG  53          1HG       ARG  53  11.622  -2.618  -0.111
  362   2HG   ARG  53          2HG       ARG  53  10.301  -3.295   0.825
  363   1HD   ARG  53          1HD       ARG  53   8.714  -2.112  -0.776
  364   2HD   ARG  53          2HD       ARG  53  10.094  -1.608  -1.707
  365    HE   ARG  53           HE       ARG  53   9.510  -4.473  -1.097
  366   1HH1  ARG  53          2HH2      ARG  53   9.671  -2.275  -3.871
  367   2HH1  ARG  53          1HH2      ARG  53  10.295  -3.525  -4.881
  368   1HH2  ARG  53          2HH1      ARG  53   9.686  -5.984  -2.607
  369   2HH2  ARG  53          1HH1      ARG  53  10.390  -5.641  -4.169
  370    H    GLU  54           H        GLU  54   9.890  -1.689   3.901
  371    HA   GLU  54           HA       GLU  54   8.758  -4.144   4.257
  372   1HB   GLU  54          1HB       GLU  54  10.226  -3.364   5.775
  373   2HB   GLU  54          2HB       GLU  54   9.609  -1.785   5.899
  374   1HG   GLU  54          1HG       GLU  54   8.100  -4.150   7.105
  375   2HG   GLU  54          2HG       GLU  54   9.509  -3.462   7.921
  376    H    SER  55           H        SER  55   7.219  -1.363   5.714
  377    HA   SER  55           HA       SER  55   4.810  -2.569   6.202
  378   1HB   SER  55          1HB       SER  55   3.794  -0.306   6.423
  379   2HB   SER  55          2HB       SER  55   5.343  -0.493   7.247
  380    HG   SER  55           HG       SER  55   6.324   0.776   5.857
  381    H    CYS  56           H        CYS  56   5.658  -0.998   3.194
  382    HA   CYS  56           HA       CYS  56   3.054  -1.149   1.969
  383   1HB   CYS  56          1HB       CYS  56   5.191   0.231   1.377
  384   2HB   CYS  56          2HB       CYS  56   5.775  -1.210   0.588
  385    H    GLU  57           H        GLU  57   5.931  -3.214   1.900
  386    HA   GLU  57           HA       GLU  57   4.917  -5.117   0.053
  387   1HB   GLU  57          1HB       GLU  57   7.094  -5.392   2.028
  388   2HB   GLU  57          2HB       GLU  57   6.625  -6.671   0.885
  389   1HG   GLU  57          1HG       GLU  57   7.040  -3.830  -0.158
  390   2HG   GLU  57          2HG       GLU  57   8.381  -4.824   0.282
  391    H    ASP  58           H        ASP  58   4.600  -4.785   3.590
  392    HA   ASP  58           HA       ASP  58   3.153  -7.225   4.095
  393   1HB   ASP  58          1HB       ASP  58   4.083  -6.024   5.958
  394   2HB   ASP  58          2HB       ASP  58   3.204  -4.557   5.553
  395    H    ALA  59           H        ALA  59   2.105  -3.885   3.145
  396    HA   ALA  59           HA       ALA  59  -0.659  -4.473   3.030
  397   1HB   ALA  59          1HB       ALA  59   0.667  -2.606   1.046
  398   2HB   ALA  59          2HB       ALA  59  -0.931  -2.504   1.782
  399   3HB   ALA  59          3HB       ALA  59   0.521  -2.216   2.774
  400    H    CYS  60           H        CYS  60   1.851  -5.107   0.553
  401    HA   CYS  60           HA       CYS  60   1.053  -7.481  -0.263
  402   1HB   CYS  60          1HB       CYS  60  -0.007  -5.350  -1.981
  403   2HB   CYS  60          2HB       CYS  60   0.660  -6.711  -2.743
  404    HA   PRO  61           HA       PRO  61   1.356  -8.565  -2.347
  405   1HB   PRO  61          1HB       PRO  61   2.981 -10.326  -3.608
  406   2HB   PRO  61          2HB       PRO  61   2.613  -8.723  -4.305
  407   1HG   PRO  61          1HG       PRO  61   5.089  -9.543  -2.744
  408   2HG   PRO  61          2HG       PRO  61   4.996  -8.632  -4.279
  409   1HD   PRO  61          1HD       PRO  61   5.207  -7.467  -1.750
  410   2HD   PRO  61          2HD       PRO  61   4.505  -6.648  -3.165
  411    H    VAL  62           H        VAL  62   0.776  -9.249  -0.176
  412    HA   VAL  62           HA       VAL  62   1.972 -11.787   0.636
  413    HB   VAL  62           HB       VAL  62   1.507  -9.484   2.567
  414   1HG1  VAL  62          1HG1      VAL  62   1.014 -11.412   3.862
  415   2HG1  VAL  62          2HG1      VAL  62   2.387 -12.330   3.155
  416   3HG1  VAL  62          3HG1      VAL  62   2.649 -10.973   4.268
  417   1HG2  VAL  62          1HG2      VAL  62   3.687  -9.276   1.307
  418   2HG2  VAL  62          2HG2      VAL  62   3.946  -9.573   3.010
  419   3HG2  VAL  62          3HG2      VAL  62   4.127 -10.902   1.835
  420    H    VAL  63           H        VAL  63   0.426 -12.529   2.480
  421    HA   VAL  63           HA       VAL  63  -2.188 -13.061   1.342
  422    HB   VAL  63           HB       VAL  63  -1.089 -13.836   4.061
  423   1HG1  VAL  63          1HG1      VAL  63  -2.512 -15.905   3.698
  424   2HG1  VAL  63          2HG1      VAL  63  -3.434 -14.436   3.916
  425   3HG1  VAL  63          3HG1      VAL  63  -3.215 -15.110   2.276
  426   1HG2  VAL  63          1HG2      VAL  63   0.586 -14.597   2.450
  427   2HG2  VAL  63          2HG2      VAL  63  -0.339 -15.982   2.995
  428   3HG2  VAL  63          3HG2      VAL  63  -0.682 -15.274   1.402
  429    H    ASP  64           H        ASP  64  -4.119 -12.882   2.956
  430    HA   ASP  64           HA       ASP  64  -5.102 -10.423   2.976
  431   1HB   ASP  64          1HB       ASP  64  -6.400 -12.419   3.596
  432   2HB   ASP  64          2HB       ASP  64  -5.701 -12.375   5.225
  433    H    HIS  65           H        HIS  65  -4.472  -8.592   3.605
  434    HA   HIS  65           HA       HIS  65  -2.452  -8.100   5.488
  435   1HB   HIS  65          1HB       HIS  65  -4.341  -6.024   4.321
  436   2HB   HIS  65          2HB       HIS  65  -2.635  -5.836   4.767
  437    HD1  HIS  65           1HD      HIS  65  -4.687  -6.409   1.701
  438    HD2  HIS  65           2HD      HIS  65  -1.160  -8.113   3.356
  439    HE1  HIS  65           1HE      HIS  65  -3.687  -7.875  -0.066
  440    HE2  HIS  65           2HE      HIS  65  -1.572  -8.992   0.956
  441    H    HIS  66           H        HIS  66  -2.808  -8.574   7.508
  442    HA   HIS  66           HA       HIS  66  -4.829  -9.038   9.065
  443   1HB   HIS  66          1HB       HIS  66  -3.472  -7.969  11.036
  444   2HB   HIS  66          2HB       HIS  66  -2.784  -9.289  10.093
  445    HD1  HIS  66           1HD      HIS  66  -2.764  -5.444   9.533
  446    HD2  HIS  66           2HD      HIS  66  -0.346  -8.902   9.256
  447    HE1  HIS  66           1HE      HIS  66  -0.484  -4.762   8.398
  448    HE2  HIS  66           2HE      HIS  66   0.867  -6.835   8.205
  449    H    HIS  67           H        HIS  67  -6.739  -8.180   9.073
  450    HA   HIS  67           HA       HIS  67  -7.348  -5.711  10.443
  451   1HB   HIS  67          1HB       HIS  67  -9.129  -5.175   8.686
  452   2HB   HIS  67          2HB       HIS  67  -7.489  -4.680   8.376
  453    HD1  HIS  67           1HD      HIS  67  -8.359  -4.398   5.817
  454    HD2  HIS  67           2HD      HIS  67  -7.993  -8.352   7.319
  455    HE1  HIS  67           1HE      HIS  67  -7.931  -5.928   3.824
  456    HE2  HIS  67           2HE      HIS  67  -7.697  -8.310   4.741
  457    H    HIS  68           H        HIS  68  -9.668  -5.841  11.123
  458    HA   HIS  68           HA       HIS  68 -10.515  -8.578  11.718
  459   1HB   HIS  68          1HB       HIS  68 -10.861  -6.632  13.260
  460   2HB   HIS  68          2HB       HIS  68 -12.017  -5.953  12.117
  461    HD1  HIS  68           1HD      HIS  68 -11.633  -8.810  14.634
  462    HD2  HIS  68           2HD      HIS  68 -14.402  -7.255  11.855
  463    HE1  HIS  68           1HE      HIS  68 -13.808 -10.197  14.864
  464    HE2  HIS  68           2HE      HIS  68 -15.388  -9.319  13.096
  465    H    HIS  69           H        HIS  69 -10.470  -9.242   9.434
  466    HA   HIS  69           HA       HIS  69 -12.117  -8.097   7.475
  467   1HB   HIS  69          1HB       HIS  69 -10.187 -10.038   7.473
  468   2HB   HIS  69          2HB       HIS  69 -11.605 -11.040   7.219
  469    HD1  HIS  69           1HD      HIS  69  -9.172 -10.290   5.121
  470    HD2  HIS  69           2HD      HIS  69 -13.106  -8.700   5.233
  471    HE1  HIS  69           1HE      HIS  69  -9.624  -9.359   2.811
  472    HE2  HIS  69           2HE      HIS  69 -12.039  -8.376   2.856
  473    H    HIS  70           H        HIS  70 -13.091 -10.393  10.017
  474    HA   HIS  70           HA       HIS  70 -15.836 -10.051   9.368
  475   1HB   HIS  70          1HB       HIS  70 -15.271 -12.118   8.031
  476   2HB   HIS  70          2HB       HIS  70 -14.598 -12.849   9.495
  477    HD1  HIS  70           1HD      HIS  70 -17.173 -11.676  11.283
  478    HD2  HIS  70           2HD      HIS  70 -17.090 -14.148   7.859
  479    HE1  HIS  70           1HE      HIS  70 -19.396 -13.045  11.300
  480    HE2  HIS  70           2HE      HIS  70 -19.323 -14.546   9.195