*HEADER    OXIDOREDUCTASE                          13-JUL-15   2N5B              
*TITLE     STRUCTURES OF THE OXIDIZED STATE OF THE MUTANT D24A OF YEAST          
*TITLE    2 THIOREDOXIN 1                                                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: THIOREDOXIN-1;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: THIOREDOXIN I, TR-I, THIOREDOXIN-2;                         
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE S288C;                 
*SOURCE   3 ORGANISM_COMMON: BAKER'S YEAST;                                      
*SOURCE   4 ORGANISM_TAXID: 559292;                                              
*SOURCE   5 STRAIN: ATCC 204508 / S288C;                                         
*SOURCE   6 GENE: TRX1, TRX2, YLR043C;                                           
*SOURCE   7 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   8 EXPRESSION_SYSTEM_TAXID: 469008;                                     
*SOURCE   9 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE  10 EXPRESSION_SYSTEM_VECTOR: PET17B                                     
*KEYWDS    REDOX CATALYTIC ACTIVITY, WATER CAVITY, PROTEIN HYDRATION,            
*KEYWDS   2 OXIDOREDUCTASE                                                       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.IQBAL, A.H.MORAES, A.P.VALENTE, F.C.L.ALMEIDA                       
*REVDAT   1   28-OCT-15 2N5B    0                                                


#helix 1 > -4ppb/K

assign ( residue   11 and name HN  ) ( residue   7  and name O )  1.80  0.00  0.50
assign ( residue   11 and name N  )  ( residue   7  and name O )  2.80  0.00  0.50

assign ( residue   14 and name HN  ) ( residue   10  and name O )  1.80  0.00  0.50
assign ( residue   14 and name N  )  ( residue   10  and name O )  2.80  0.00  0.50

assign ( residue   16 and name HN  ) ( residue   12  and name O )  1.80  0.00  0.50
assign ( residue   16 and name N  )  ( residue   12  and name O )  2.80  0.00  0.50


#helix 2 > -4ppb/K

assign ( residue   35 and name HN  ) ( residue   31  and name O )  1.80  0.00  0.50
assign ( residue   35 and name N  )  ( residue   31  and name O )  2.80  0.00  0.50

assign ( residue   36 and name HN  ) ( residue   32  and name O )  1.80  0.00  0.50
assign ( residue   36 and name N  )  ( residue   32  and name O )  2.80  0.00  0.50

assign ( residue   37 and name HN  ) ( residue   33  and name O )  1.80  0.00  0.50
assign ( residue   37 and name N  )  ( residue   33  and name O )  2.80  0.00  0.50

assign ( residue   38 and name HN  ) ( residue   34  and name O )  1.80  0.00  0.50
assign ( residue   38 and name N  )  ( residue   34  and name O )  2.80  0.00  0.50

assign ( residue   39 and name HN  ) ( residue   35  and name O )  1.80  0.00  0.50
assign ( residue   39 and name N  )  ( residue   35  and name O )  2.80  0.00  0.50

assign ( residue   41 and name HN  ) ( residue   37  and name O )  1.80  0.00  0.50
assign ( residue   41 and name N  )  ( residue   37  and name O )  2.80  0.00  0.50

assign ( residue   42 and name HN  ) ( residue   38  and name O )  1.80  0.00  0.50
assign ( residue   42 and name N  )  ( residue   38  and name O )  2.80  0.00  0.50

assign ( residue   43 and name HN  ) ( residue   39  and name O )  1.80  0.00  0.50
assign ( residue   43 and name N  )  ( residue   39  and name O )  2.80  0.00  0.50

assign ( residue   45 and name HN  ) ( residue   41  and name O )  1.80  0.00  0.50
assign ( residue   45 and name N  )  ( residue   41  and name O )  2.80  0.00  0.50

assign ( residue   46 and name HN  ) ( residue   42  and name O )  1.80  0.00  0.50
assign ( residue   46 and name N  )  ( residue   42  and name O )  2.80  0.00  0.50

#helix 3 > -4ppb/K

assign ( residue   60 and name HN  ) ( residue   56  and name O )  1.80  0.00  0.50
assign ( residue   60 and name N  )  ( residue   56  and name O )  2.80  0.00  0.50

assign ( residue   64 and name HN  ) ( residue   60  and name O )  1.80  0.00  0.50
assign ( residue   64 and name N  )  ( residue   60  and name O )  2.80  0.00  0.50

assign ( residue   65 and name HN  ) ( residue   61  and name O )  1.80  0.00  0.50
assign ( residue   65 and name N  )  ( residue   61  and name O )  2.80  0.00  0.50

assign ( residue   66 and name HN  ) ( residue   62  and name O )  1.80  0.00  0.50
assign ( residue   66 and name N  )  ( residue   62  and name O )  2.80  0.00  0.50

#helix 4 > -4ppb/K

assign ( residue   98 and name HN  ) ( residue   94  and name O )  1.80  0.00  0.50
assign ( residue   98 and name N  )  ( residue   94  and name O )  2.80  0.00  0.50

assign ( residue   101 and name HN  ) ( residue   97  and name O )  1.80  0.00  0.50
assign ( residue   101 and name N  )  ( residue   97  and name O )  2.80  0.00  0.50

assign ( residue   102 and name HN  ) ( residue   98  and name O )  1.80  0.00  0.50
assign ( residue   102 and name N  )  ( residue   98  and name O )  2.80  0.00  0.50


#betas > -4 ppb/K

assign (resid 3 and name n) (resid 52 and name o) 2.8 0.4 0.9
assign (resid 3 and name hn) (resid 52 and name o) 1.8 0.4 0.9
assign (resid 75 and name n) (resid 87 and name o) 2.8 0.4 0.9
assign (resid 75 and name hn) (resid 87 and name o) 1.8 0.4 0.9
assign (resid 77 and name n) (resid 85 and name o) 2.8 0.4 0.9
assign (resid 77 and name hn) (resid 85 and name o) 1.8 0.4 0.9
assign (resid 79 and name n) (resid 83 and name o) 2.8 0.4 0.9
assign (resid 79 and name hn) (resid 83 and name o) 1.8 0.4 0.9
assign (resid 25 and name n) (resid 74 and name o) 2.8 0.4 0.9
assign (resid 25 and name hn) (resid 74 and name o) 1.8 0.4 0.9
assign (resid 76 and name n) (resid 23 and name o) 2.8 0.4 0.9
assign (resid 76 and name hn) (resid 23 and name o) 1.8 0.4 0.9
assign (resid 23 and name n) (resid 76 and name o) 2.8 0.4 0.9
assign (resid 23 and name hn) (resid 76 and name o) 1.8 0.4 0.9
assign (resid 78 and name n) (resid 21 and name o) 2.8 0.4 0.9
assign (resid 78 and name hn) (resid 21 and name o) 1.8 0.4 0.9
assign (resid 21 and name n) (resid 78 and name o) 2.8 0.4 0.9
assign (resid 21 and name hn) (resid 78 and name o) 1.8 0.4 0.9
assign (resid 51 and name n) (resid 20 and name o) 2.8 0.4 0.9
assign (resid 51 and name hn) (resid 20 and name o) 1.8 0.4 0.9
assign (resid 54 and name n) (resid 3 and name o) 2.8 0.4 0.9
assign (resid 54 and name hn) (resid 3 and name o) 1.8 0.4 0.9
! V 2   Phi Psi
assign (resid  1 and name C ) (resid  2 and name N)
       (resid  2 and name CA) (resid  2 and name C) 1.0  -100.83    20.00  2
assign (resid  2 and name N) (resid  2 and name CA)
       (resid  2 and name C) (resid  3 and name  N) 1.0   128.55    20.00  2
! T 3   Phi Psi
assign (resid  2 and name C ) (resid  3 and name N)
       (resid  3 and name CA) (resid  3 and name C) 1.0   -81.59    35.42  2
assign (resid  3 and name N) (resid  3 and name CA)
       (resid  3 and name C) (resid  4 and name  N) 1.0   127.38    20.00  2
! Q 4   Phi Psi
assign (resid  3 and name C ) (resid  4 and name N)
       (resid  4 and name CA) (resid  4 and name C) 1.0   -95.77    29.59  2
assign (resid  4 and name N) (resid  4 and name CA)
       (resid  4 and name C) (resid  5 and name  N) 1.0   120.01    20.00  2
! F 5   Phi Psi
assign (resid  4 and name C ) (resid  5 and name N)
       (resid  5 and name CA) (resid  5 and name C) 1.0   -89.69    21.98  2
assign (resid  5 and name N) (resid  5 and name CA)
       (resid  5 and name C) (resid  6 and name  N) 1.0   128.04    35.91  2
! K 6   Phi Psi
assign (resid  5 and name C ) (resid  6 and name N)
       (resid  6 and name CA) (resid  6 and name C) 1.0  -107.75    25.35  2
assign (resid  6 and name N) (resid  6 and name CA)
       (resid  6 and name C) (resid  7 and name  N) 1.0   -18.05    20.02  2
! T 7   Phi Psi
assign (resid  6 and name C ) (resid  7 and name N)
       (resid  7 and name CA) (resid  7 and name C) 1.0  -135.00    20.00  2
assign (resid  7 and name N) (resid  7 and name CA)
       (resid  7 and name C) (resid  8 and name  N) 1.0   159.77    20.00  2
! A 8   Phi Psi
assign (resid  7 and name C ) (resid  8 and name N)
       (resid  8 and name CA) (resid  8 and name C) 1.0   -63.86    20.00  2
assign (resid  8 and name N) (resid  8 and name CA)
       (resid  8 and name C) (resid  9 and name  N) 1.0   -35.99    20.00  2
! S 9   Phi Psi
assign (resid  8 and name C ) (resid  9 and name N)
       (resid  9 and name CA) (resid  9 and name C) 1.0   -61.39    20.00  2
assign (resid  9 and name N) (resid  9 and name CA)
       (resid  9 and name C) (resid  10 and name  N) 1.0   -38.59    20.00  2
! E 10  Phi Psi
assign (resid  9 and name C ) (resid  10 and name N)
       (resid  10 and name CA) (resid  10 and name C) 1.0   -69.33    20.00  2
assign (resid  10 and name N) (resid  10 and name CA)
       (resid  10 and name C) (resid  11 and name  N) 1.0   -39.27    20.00  2
! F 11  Phi Psi
assign (resid  10 and name C ) (resid  11 and name N)
       (resid  11 and name CA) (resid  11 and name C) 1.0   -65.10    20.00  2
assign (resid  11 and name N) (resid  11 and name CA)
       (resid  11 and name C) (resid  12 and name  N) 1.0   -43.65    20.00  2
! D 12  Phi Psi
assign (resid  11 and name C ) (resid  12 and name N)
       (resid  12 and name CA) (resid  12 and name C) 1.0   -61.90    20.00  2
assign (resid  12 and name N) (resid  12 and name CA)
       (resid  12 and name C) (resid  13 and name  N) 1.0   -40.28    20.00  2
! S 13  Phi Psi
assign (resid  12 and name C ) (resid  13 and name N)
       (resid  13 and name CA) (resid  13 and name C) 1.0   -67.01    20.00  2
assign (resid  13 and name N) (resid  13 and name CA)
       (resid  13 and name C) (resid  14 and name  N) 1.0   -37.78    20.00  2
! A 14  Phi Psi
assign (resid  13 and name C ) (resid  14 and name N)
       (resid  14 and name CA) (resid  14 and name C) 1.0   -65.95    20.00  2
assign (resid  14 and name N) (resid  14 and name CA)
       (resid  14 and name C) (resid  15 and name  N) 1.0   -41.10    20.00  2
! I 15  Phi Psi
assign (resid  14 and name C ) (resid  15 and name N)
       (resid  15 and name CA) (resid  15 and name C) 1.0   -70.39    20.00  2
assign (resid  15 and name N) (resid  15 and name CA)
       (resid  15 and name C) (resid  16 and name  N) 1.0   -22.67    20.00  2
! A 16  Phi Psi
assign (resid  15 and name C ) (resid  16 and name N)
       (resid  16 and name CA) (resid  16 and name C) 1.0   -87.47    20.00  2
assign (resid  16 and name N) (resid  16 and name CA)
       (resid  16 and name C) (resid  17 and name  N) 1.0    -6.50    22.70  2
! Q 17  Phi Psi
assign (resid  16 and name C ) (resid  17 and name N)
       (resid  17 and name CA) (resid  17 and name C) 1.0  -111.42    61.13  2
assign (resid  17 and name N) (resid  17 and name CA)
       (resid  17 and name C) (resid  18 and name  N) 1.0   150.33    25.37  2
! K 19  Phi Psi
assign (resid  18 and name C ) (resid  19 and name N)
       (resid  19 and name CA) (resid  19 and name C) 1.0  -141.27    31.83  2
assign (resid  19 and name N) (resid  19 and name CA)
       (resid  19 and name C) (resid  20 and name  N) 1.0   149.86    28.23  2
! L 20  Phi Psi
assign (resid  19 and name C ) (resid  20 and name N)
       (resid  20 and name CA) (resid  20 and name C) 1.0   -76.74    21.15  2
assign (resid  20 and name N) (resid  20 and name CA)
       (resid  20 and name C) (resid  21 and name  N) 1.0   125.75    20.00  2
! V 21  Phi Psi
assign (resid  20 and name C ) (resid  21 and name N)
       (resid  21 and name CA) (resid  21 and name C) 1.0  -112.92    24.11  2
assign (resid  21 and name N) (resid  21 and name CA)
       (resid  21 and name C) (resid  22 and name  N) 1.0   128.22    20.00  2
! V 22  Phi Psi
assign (resid  21 and name C ) (resid  22 and name N)
       (resid  22 and name CA) (resid  22 and name C) 1.0  -107.31    20.00  2
assign (resid  22 and name N) (resid  22 and name CA)
       (resid  22 and name C) (resid  23 and name  N) 1.0   123.94    20.00  2
! V 23  Phi Psi
assign (resid  22 and name C ) (resid  23 and name N)
       (resid  23 and name CA) (resid  23 and name C) 1.0  -106.89    20.31  2
assign (resid  23 and name N) (resid  23 and name CA)
       (resid  23 and name C) (resid  24 and name  N) 1.0   123.01    20.00  2
! A 24  Phi Psi
assign (resid  23 and name C ) (resid  24 and name N)
       (resid  24 and name CA) (resid  24 and name C) 1.0  -105.12    23.22  2
assign (resid  24 and name N) (resid  24 and name CA)
       (resid  24 and name C) (resid  25 and name  N) 1.0   117.70    20.00  2
! F 25  Phi Psi
assign (resid  24 and name C ) (resid  25 and name N)
       (resid  25 and name CA) (resid  25 and name C) 1.0   -91.34    20.00  2
assign (resid  25 and name N) (resid  25 and name CA)
       (resid  25 and name C) (resid  26 and name  N) 1.0   122.84    20.00  2
! Y 26  Phi Psi
assign (resid  25 and name C ) (resid  26 and name N)
       (resid  26 and name CA) (resid  26 and name C) 1.0  -142.66    20.00  2
assign (resid  26 and name N) (resid  26 and name CA)
       (resid  26 and name C) (resid  27 and name  N) 1.0   168.39    20.00  2
! A 27  Phi Psi
assign (resid  26 and name C ) (resid  27 and name N)
       (resid  27 and name CA) (resid  27 and name C) 1.0  -143.41    26.39  2
assign (resid  27 and name N) (resid  27 and name CA)
       (resid  27 and name C) (resid  28 and name  N) 1.0   150.70    20.00  2
! T 28  Phi Psi
assign (resid  27 and name C ) (resid  28 and name N)
       (resid  28 and name CA) (resid  28 and name C) 1.0   -63.43    20.00  2
assign (resid  28 and name N) (resid  28 and name CA)
       (resid  28 and name C) (resid  29 and name  N) 1.0   -26.40    20.00  2
! G 31  Phi Psi
assign (resid  30 and name C ) (resid  31 and name N)
       (resid  31 and name CA) (resid  31 and name C) 1.0   -63.44    20.00  2
assign (resid  31 and name N) (resid  31 and name CA)
       (resid  31 and name C) (resid  32 and name  N) 1.0   -49.04    20.00  2
! P 32  Phi Psi
assign (resid  31 and name C ) (resid  32 and name N)
       (resid  32 and name CA) (resid  32 and name C) 1.0   -55.61    20.00  2
assign (resid  32 and name N) (resid  32 and name CA)
       (resid  32 and name C) (resid  33 and name  N) 1.0   -35.31    20.00  2
! C 33  Phi Psi
assign (resid  32 and name C ) (resid  33 and name N)
       (resid  33 and name CA) (resid  33 and name C) 1.0   -62.98    20.00  2
assign (resid  33 and name N) (resid  33 and name CA)
       (resid  33 and name C) (resid  34 and name  N) 1.0   -41.00    20.00  2
! K 34  Phi Psi
assign (resid  33 and name C ) (resid  34 and name N)
       (resid  34 and name CA) (resid  34 and name C) 1.0   -66.02    20.00  2
assign (resid  34 and name N) (resid  34 and name CA)
       (resid  34 and name C) (resid  35 and name  N) 1.0   -36.60    20.00  2
! M 35  Phi Psi
assign (resid  34 and name C ) (resid  35 and name N)
       (resid  35 and name CA) (resid  35 and name C) 1.0   -69.46    20.00  2
assign (resid  35 and name N) (resid  35 and name CA)
       (resid  35 and name C) (resid  36 and name  N) 1.0   -31.91    20.00  2
! I 36  Phi Psi
assign (resid  35 and name C ) (resid  36 and name N)
       (resid  36 and name CA) (resid  36 and name C) 1.0   -97.65    20.00  2
assign (resid  36 and name N) (resid  36 and name CA)
       (resid  36 and name C) (resid  37 and name  N) 1.0    -1.69    20.00  2
! A 37  Phi Psi
assign (resid  36 and name C ) (resid  37 and name N)
       (resid  37 and name CA) (resid  37 and name C) 1.0   -57.54    20.00  2
assign (resid  37 and name N) (resid  37 and name CA)
       (resid  37 and name C) (resid  38 and name  N) 1.0   -46.25    20.00  2
! P 38  Phi Psi
assign (resid  37 and name C ) (resid  38 and name N)
       (resid  38 and name CA) (resid  38 and name C) 1.0   -60.84    20.00  2
assign (resid  38 and name N) (resid  38 and name CA)
       (resid  38 and name C) (resid  39 and name  N) 1.0   -39.17    20.00  2
! M 39  Phi Psi
assign (resid  38 and name C ) (resid  39 and name N)
       (resid  39 and name CA) (resid  39 and name C) 1.0   -69.16    20.00  2
assign (resid  39 and name N) (resid  39 and name CA)
       (resid  39 and name C) (resid  40 and name  N) 1.0   -40.37    20.00  2
! I 40  Phi Psi
assign (resid  39 and name C ) (resid  40 and name N)
       (resid  40 and name CA) (resid  40 and name C) 1.0   -62.97    20.00  2
assign (resid  40 and name N) (resid  40 and name CA)
       (resid  40 and name C) (resid  41 and name  N) 1.0   -39.10    20.00  2
! E 41  Phi Psi
assign (resid  40 and name C ) (resid  41 and name N)
       (resid  41 and name CA) (resid  41 and name C) 1.0   -63.49    20.00  2
assign (resid  41 and name N) (resid  41 and name CA)
       (resid  41 and name C) (resid  42 and name  N) 1.0   -41.82    20.00  2
! K 42  Phi Psi
assign (resid  41 and name C ) (resid  42 and name N)
       (resid  42 and name CA) (resid  42 and name C) 1.0   -64.96    20.00  2
assign (resid  42 and name N) (resid  42 and name CA)
       (resid  42 and name C) (resid  43 and name  N) 1.0   -40.42    20.00  2
! F 43  Phi Psi
assign (resid  42 and name C ) (resid  43 and name N)
       (resid  43 and name CA) (resid  43 and name C) 1.0   -67.32    20.00  2
assign (resid  43 and name N) (resid  43 and name CA)
       (resid  43 and name C) (resid  44 and name  N) 1.0   -35.85    20.00  2
! S 44  Phi Psi
assign (resid  43 and name C ) (resid  44 and name N)
       (resid  44 and name CA) (resid  44 and name C) 1.0   -65.18    20.00  2
assign (resid  44 and name N) (resid  44 and name CA)
       (resid  44 and name C) (resid  45 and name  N) 1.0   -36.31    20.00  2
! E 45  Phi Psi
assign (resid  44 and name C ) (resid  45 and name N)
       (resid  45 and name CA) (resid  45 and name C) 1.0   -70.78    20.00  2
assign (resid  45 and name N) (resid  45 and name CA)
       (resid  45 and name C) (resid  46 and name  N) 1.0   -35.31    20.00  2
! Q 46  Phi Psi
!assign (resid  45 and name C ) (resid  46 and name N)
!       (resid  46 and name CA) (resid  46 and name C) 1.0   -73.51    20.00  2
!assign (resid  46 and name N) (resid  46 and name CA)
!       (resid  46 and name C) (resid  47 and name  N) 1.0   -33.05    20.00  2
! Y 47  Phi Psi
assign (resid  46 and name C ) (resid  47 and name N)
       (resid  47 and name CA) (resid  47 and name C) 1.0  -128.13    27.13  2
assign (resid  47 and name N) (resid  47 and name CA)
       (resid  47 and name C) (resid  48 and name  N) 1.0    71.69    28.00  2
! P 48  Phi Psi
assign (resid  47 and name C ) (resid  48 and name N)
       (resid  48 and name CA) (resid  48 and name C) 1.0   -63.82    20.00  2
assign (resid  48 and name N) (resid  48 and name CA)
       (resid  48 and name C) (resid  49 and name  N) 1.0   -22.82    20.00  2
! Q 49  Phi Psi
assign (resid  48 and name C ) (resid  49 and name N)
       (resid  49 and name CA) (resid  49 and name C) 1.0   -86.10    20.00  2
assign (resid  49 and name N) (resid  49 and name CA)
       (resid  49 and name C) (resid  50 and name  N) 1.0     1.05    22.43  2
! A 50  Phi Psi
assign (resid  49 and name C ) (resid  50 and name N)
       (resid  50 and name CA) (resid  50 and name C) 1.0  -123.96    20.00  2
assign (resid  50 and name N) (resid  50 and name CA)
       (resid  50 and name C) (resid  51 and name  N) 1.0   138.76    26.01  2
! D 51  Phi Psi
assign (resid  50 and name C ) (resid  51 and name N)
       (resid  51 and name CA) (resid  51 and name C) 1.0  -123.23    31.59  2
assign (resid  51 and name N) (resid  51 and name CA)
       (resid  51 and name C) (resid  52 and name  N) 1.0   140.52    22.85  2
! F 52  Phi Psi
assign (resid  51 and name C ) (resid  52 and name N)
       (resid  52 and name CA) (resid  52 and name C) 1.0  -109.98    26.39  2
assign (resid  52 and name N) (resid  52 and name CA)
       (resid  52 and name C) (resid  53 and name  N) 1.0   134.67    20.00  2
! Y 53  Phi Psi
assign (resid  52 and name C ) (resid  53 and name N)
       (resid  53 and name CA) (resid  53 and name C) 1.0  -131.56    20.00  2
assign (resid  53 and name N) (resid  53 and name CA)
       (resid  53 and name C) (resid  54 and name  N) 1.0   156.88    20.00  2
! K 54  Phi Psi
assign (resid  53 and name C ) (resid  54 and name N)
       (resid  54 and name CA) (resid  54 and name C) 1.0  -131.00    21.29  2
assign (resid  54 and name N) (resid  54 and name CA)
       (resid  54 and name C) (resid  55 and name  N) 1.0   143.03    21.20  2
! L 55  Phi Psi
!assign (resid  54 and name C ) (resid  55 and name N)
!       (resid  55 and name CA) (resid  55 and name C) 1.0  -136.76    20.23  2
!assign (resid  55 and name N) (resid  55 and name CA)
!       (resid  55 and name C) (resid  56 and name  N) 1.0   132.76    20.00  2
! D 56  Phi Psi
!assign (resid  55 and name C ) (resid  56 and name N)
!       (resid  56 and name CA) (resid  56 and name C) 1.0   -82.88    20.00  2
!assign (resid  56 and name N) (resid  56 and name CA)
!       (resid  56 and name C) (resid  57 and name  N) 1.0   112.89    21.70  2
! V 57  Phi Psi
assign (resid  56 and name C ) (resid  57 and name N)
       (resid  57 and name CA) (resid  57 and name C) 1.0   -61.22    20.00  2
assign (resid  57 and name N) (resid  57 and name CA)
       (resid  57 and name C) (resid  58 and name  N) 1.0   -29.10    20.00  2
! D 58  Phi Psi
assign (resid  57 and name C ) (resid  58 and name N)
       (resid  58 and name CA) (resid  58 and name C) 1.0   -72.30    20.00  2
assign (resid  58 and name N) (resid  58 and name CA)
       (resid  58 and name C) (resid  59 and name  N) 1.0   -26.55    24.32  2
! E 59  Phi Psi
assign (resid  58 and name C ) (resid  59 and name N)
       (resid  59 and name CA) (resid  59 and name C) 1.0   -85.61    22.78  2
assign (resid  59 and name N) (resid  59 and name CA)
       (resid  59 and name C) (resid  60 and name  N) 1.0   -18.85    25.50  2
! G 61  Phi Psi
assign (resid  60 and name C ) (resid  61 and name N)
       (resid  61 and name CA) (resid  61 and name C) 1.0   -57.84    20.00  2
assign (resid  61 and name N) (resid  61 and name CA)
       (resid  61 and name C) (resid  62 and name  N) 1.0   -41.51    20.00  2
! D 62  Phi Psi
assign (resid  61 and name C ) (resid  62 and name N)
       (resid  62 and name CA) (resid  62 and name C) 1.0   -63.23    20.00  2
assign (resid  62 and name N) (resid  62 and name CA)
       (resid  62 and name C) (resid  63 and name  N) 1.0   -40.35    20.00  2
! V 63  Phi Psi
assign (resid  62 and name C ) (resid  63 and name N)
       (resid  63 and name CA) (resid  63 and name C) 1.0   -67.86    20.00  2
assign (resid  63 and name N) (resid  63 and name CA)
       (resid  63 and name C) (resid  64 and name  N) 1.0   -44.25    20.00  2
! A 64  Phi Psi
assign (resid  63 and name C ) (resid  64 and name N)
       (resid  64 and name CA) (resid  64 and name C) 1.0   -64.40    20.00  2
assign (resid  64 and name N) (resid  64 and name CA)
       (resid  64 and name C) (resid  65 and name  N) 1.0   -42.13    20.00  2
! Q 65  Phi Psi
assign (resid  64 and name C ) (resid  65 and name N)
       (resid  65 and name CA) (resid  65 and name C) 1.0   -65.11    20.00  2
assign (resid  65 and name N) (resid  65 and name CA)
       (resid  65 and name C) (resid  66 and name  N) 1.0   -40.18    20.00  2
! K 66  Phi Psi
assign (resid  65 and name C ) (resid  66 and name N)
       (resid  66 and name CA) (resid  66 and name C) 1.0   -65.65    20.00  2
assign (resid  66 and name N) (resid  66 and name CA)
       (resid  66 and name C) (resid  67 and name  N) 1.0   -29.70    20.00  2
! N 67  Phi Psi
assign (resid  66 and name C ) (resid  67 and name N)
       (resid  67 and name CA) (resid  67 and name C) 1.0   -95.22    20.00  2
assign (resid  67 and name N) (resid  67 and name CA)
       (resid  67 and name C) (resid  68 and name  N) 1.0     7.44    20.00  2
! E 68  Phi Psi
assign (resid  67 and name C ) (resid  68 and name N)
       (resid  68 and name CA) (resid  68 and name C) 1.0    58.14    20.00  2
assign (resid  68 and name N) (resid  68 and name CA)
       (resid  68 and name C) (resid  69 and name  N) 1.0    37.92    20.00  2
! V 69  Phi Psi
assign (resid  68 and name C ) (resid  69 and name N)
       (resid  69 and name CA) (resid  69 and name C) 1.0   -77.47    22.09  2
assign (resid  69 and name N) (resid  69 and name CA)
       (resid  69 and name C) (resid  70 and name  N) 1.0   130.91    20.00  2
! A 71  Phi Psi
assign (resid  70 and name C ) (resid  71 and name N)
       (resid  71 and name CA) (resid  71 and name C) 1.0  -124.92    53.49  2
assign (resid  71 and name N) (resid  71 and name CA)
       (resid  71 and name C) (resid  72 and name  N) 1.0   144.93    28.38  2
! M 72  Phi Psi
assign (resid  71 and name C ) (resid  72 and name N)
       (resid  72 and name CA) (resid  72 and name C) 1.0   -85.82    61.06  2
assign (resid  72 and name N) (resid  72 and name CA)
       (resid  72 and name C) (resid  73 and name  N) 1.0   135.08    22.13  2
! P 73  Phi Psi
assign (resid  72 and name C ) (resid  73 and name N)
       (resid  73 and name CA) (resid  73 and name C) 1.0   -65.94    20.00  2
assign (resid  73 and name N) (resid  73 and name CA)
       (resid  73 and name C) (resid  74 and name  N) 1.0   150.04    20.00  2
! T 74  Phi Psi
assign (resid  73 and name C ) (resid  74 and name N)
       (resid  74 and name CA) (resid  74 and name C) 1.0  -140.47    23.12  2
assign (resid  74 and name N) (resid  74 and name CA)
       (resid  74 and name C) (resid  75 and name  N) 1.0   139.25    21.98  2
! L 75  Phi Psi
assign (resid  74 and name C ) (resid  75 and name N)
       (resid  75 and name CA) (resid  75 and name C) 1.0  -116.96    20.00  2
assign (resid  75 and name N) (resid  75 and name CA)
       (resid  75 and name C) (resid  76 and name  N) 1.0   128.66    20.00  2
! L 76  Phi Psi
assign (resid  75 and name C ) (resid  76 and name N)
       (resid  76 and name CA) (resid  76 and name C) 1.0  -125.24    20.00  2
assign (resid  76 and name N) (resid  76 and name CA)
       (resid  76 and name C) (resid  77 and name  N) 1.0   133.48    20.00  2
! L 77  Phi Psi
assign (resid  76 and name C ) (resid  77 and name N)
       (resid  77 and name CA) (resid  77 and name C) 1.0  -104.93    22.98  2
assign (resid  77 and name N) (resid  77 and name CA)
       (resid  77 and name C) (resid  78 and name  N) 1.0   126.34    20.00  2
! F 78  Phi Psi
assign (resid  77 and name C ) (resid  78 and name N)
       (resid  78 and name CA) (resid  78 and name C) 1.0  -117.32    20.00  2
assign (resid  78 and name N) (resid  78 and name CA)
       (resid  78 and name C) (resid  79 and name  N) 1.0   145.45    20.00  2
! K 79  Phi Psi
assign (resid  78 and name C ) (resid  79 and name N)
       (resid  79 and name CA) (resid  79 and name C) 1.0  -142.86    20.00  2
assign (resid  79 and name N) (resid  79 and name CA)
       (resid  79 and name C) (resid  80 and name  N) 1.0   128.53    20.00  2
! N 80  Phi Psi
assign (resid  79 and name C ) (resid  80 and name N)
       (resid  80 and name CA) (resid  80 and name C) 1.0    57.21    20.00  2
assign (resid  80 and name N) (resid  80 and name CA)
       (resid  80 and name C) (resid  81 and name  N) 1.0    35.65    20.00  2
! G 81  Phi Psi
assign (resid  80 and name C ) (resid  81 and name N)
       (resid  81 and name CA) (resid  81 and name C) 1.0    83.05    20.00  2
assign (resid  81 and name N) (resid  81 and name CA)
       (resid  81 and name C) (resid  82 and name  N) 1.0     8.61    20.00  2
! K 82  Phi Psi
!assign (resid  81 and name C ) (resid  82 and name N)
!       (resid  82 and name CA) (resid  82 and name C) 1.0  -125.49    20.08  2
!assign (resid  82 and name N) (resid  82 and name CA)
!       (resid  82 and name C) (resid  83 and name  N) 1.0   140.11    20.00  2
! E 83  Phi Psi
!assign (resid  82 and name C ) (resid  83 and name N)
!       (resid  83 and name CA) (resid  83 and name C) 1.0   -69.74    20.00  2
!assign (resid  83 and name N) (resid  83 and name CA)
!       (resid  83 and name C) (resid  84 and name  N) 1.0   129.74    20.00  2
! V 84  Phi Psi
!assign (resid  83 and name C ) (resid  84 and name N)
!       (resid  84 and name CA) (resid  84 and name C) 1.0  -115.44    20.00  2
!assign (resid  84 and name N) (resid  84 and name CA)
!       (resid  84 and name C) (resid  85 and name  N) 1.0   -17.04    20.00  2
! A 85  Phi Psi
assign (resid  84 and name C ) (resid  85 and name N)
       (resid  85 and name CA) (resid  85 and name C) 1.0  -158.40    20.00  2
assign (resid  85 and name N) (resid  85 and name CA)
       (resid  85 and name C) (resid  86 and name  N) 1.0   153.84    22.40  2
! K 86  Phi Psi
assign (resid  85 and name C ) (resid  86 and name N)
       (resid  86 and name CA) (resid  86 and name C) 1.0  -131.05    24.26  2
assign (resid  86 and name N) (resid  86 and name CA)
       (resid  86 and name C) (resid  87 and name  N) 1.0   128.03    20.00  2
! V 87  Phi Psi
assign (resid  86 and name C ) (resid  87 and name N)
       (resid  87 and name CA) (resid  87 and name C) 1.0  -111.32    20.00  2
assign (resid  87 and name N) (resid  87 and name CA)
       (resid  87 and name C) (resid  88 and name  N) 1.0   123.21    20.00  2
! V 88  Phi Psi
!assign (resid  87 and name C ) (resid  88 and name N)
!      (resid  88 and name CA) (resid  88 and name C) 1.0  -103.82    20.00  2
!assign (resid  88 and name N) (resid  88 and name CA)
!       (resid  88 and name C) (resid  89 and name  N) 1.0   121.14    20.00  2
! G 89  Phi Psi
!assign (resid  88 and name C ) (resid  89 and name N)
!       (resid  89 and name CA) (resid  89 and name C) 1.0  -108.75    46.70  2
!assign (resid  89 and name N) (resid  89 and name CA)
!       (resid  89 and name C) (resid  90 and name  N) 1.0   167.42    41.70  2
! N 91  Phi Psi
!assign (resid  90 and name C ) (resid  91 and name N)
!       (resid  91 and name CA) (resid  91 and name C) 1.0   -80.55    34.97  2
!assign (resid  91 and name N) (resid  91 and name CA)
!       (resid  91 and name C) (resid  92 and name  N) 1.0   121.91    25.23  2
! P 92  Phi Psi
!assign (resid  91 and name C ) (resid  92 and name N)
!       (resid  92 and name CA) (resid  92 and name C) 1.0   -59.62    20.00  2
!assign (resid  92 and name N) (resid  92 and name CA)
!       (resid  92 and name C) (resid  93 and name  N) 1.0   -32.42    20.00  2
! A 93  Phi Psi
assign (resid  92 and name C ) (resid  93 and name N)
       (resid  93 and name CA) (resid  93 and name C) 1.0   -67.12    20.00  2
assign (resid  93 and name N) (resid  93 and name CA)
       (resid  93 and name C) (resid  94 and name  N) 1.0   -38.13    20.00  2
! A 94  Phi Psi
assign (resid  93 and name C ) (resid  94 and name N)
       (resid  94 and name CA) (resid  94 and name C) 1.0   -67.98    20.00  2
assign (resid  94 and name N) (resid  94 and name CA)
       (resid  94 and name C) (resid  95 and name  N) 1.0   -40.13    20.00  2
! I 95  Phi Psi
assign (resid  94 and name C ) (resid  95 and name N)
       (resid  95 and name CA) (resid  95 and name C) 1.0   -65.22    20.00  2
assign (resid  95 and name N) (resid  95 and name CA)
       (resid  95 and name C) (resid  96 and name  N) 1.0   -43.83    20.00  2
! K 96  Phi Psi
assign (resid  95 and name C ) (resid  96 and name N)
       (resid  96 and name CA) (resid  96 and name C) 1.0   -61.14    20.00  2
assign (resid  96 and name N) (resid  96 and name CA)
       (resid  96 and name C) (resid  97 and name  N) 1.0   -41.84    20.00  2
! Q 97  Phi Psi
assign (resid  96 and name C ) (resid  97 and name N)
       (resid  97 and name CA) (resid  97 and name C) 1.0   -64.41    20.00  2
assign (resid  97 and name N) (resid  97 and name CA)
       (resid  97 and name C) (resid  98 and name  N) 1.0   -40.68    20.00  2
! A 98  Phi Psi
assign (resid  97 and name C ) (resid  98 and name N)
       (resid  98 and name CA) (resid  98 and name C) 1.0   -66.20    20.00  2
assign (resid  98 and name N) (resid  98 and name CA)
       (resid  98 and name C) (resid  99 and name  N) 1.0   -41.34    20.00  2
! I 99  Phi Psi
assign (resid  98 and name C ) (resid  99 and name N)
       (resid  99 and name CA) (resid  99 and name C) 1.0   -64.07    20.00  2
assign (resid  99 and name N) (resid  99 and name CA)
       (resid  99 and name C) (resid  100 and name  N) 1.0   -46.97    20.00  2
! A 100 Phi Psi
assign (resid  99 and name C ) (resid  100 and name N)
       (resid  100 and name CA) (resid  100 and name C) 1.0   -64.73    20.00  2
assign (resid  100 and name N) (resid  100 and name CA)
       (resid  100 and name C) (resid  101 and name  N) 1.0   -39.73    20.00  2
! A 101 Phi Psi
assign (resid  100 and name C ) (resid  101 and name N)
       (resid  101 and name CA) (resid  101 and name C) 1.0   -68.78    20.00  2
assign (resid  101 and name N) (resid  101 and name CA)
       (resid  101 and name C) (resid  102 and name  N) 1.0   -25.36    20.00  2
! ambig_restraints for oxidized D24A Mutant
assign (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    2 and name HG23) 2.316 0.670 0.670 weight 1.000 ! spec=13C_..._new, no=14, id=12, vol=2.299195e+06
    or (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    2 and name HG21)
    or (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    2 and name HG22)
    or (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    2 and name HG13)
    or (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    2 and name HG12)
    or (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    2 and name HG11)
assign (segid "   A" and resid    2 and name   HB) (segid "   A" and resid    2 and name HG13) 2.243 0.629 0.629 weight 1.000 ! spec=13C_..._new, no=15, id=13, vol=2.964119e+06
    or (segid "   A" and resid    2 and name   HB) (segid "   A" and resid    2 and name HG12)
    or (segid "   A" and resid    2 and name   HB) (segid "   A" and resid    2 and name HG11)
    or (segid "   A" and resid    2 and name   HB) (segid "   A" and resid    2 and name HG23)
    or (segid "   A" and resid    2 and name   HB) (segid "   A" and resid    2 and name HG21)
    or (segid "   A" and resid    2 and name   HB) (segid "   A" and resid    2 and name HG22)
assign (segid "   A" and resid    4 and name  HB1) (segid "   A" and resid    4 and name  HG1) 2.881 1.037 1.037 weight 1.000 ! spec=13C_..._new, no=49, id=43, vol=6.896564e+05
    or (segid "   A" and resid    4 and name  HB2) (segid "   A" and resid    4 and name  HG1)
    or (segid "   A" and resid    4 and name  HB2) (segid "   A" and resid    4 and name  HG2)
assign (segid "   A" and resid    5 and name  HB2) (segid "   A" and resid   60 and name HD13) 2.779 0.965 0.965 weight 1.000 ! spec=13C_..._new, no=54, id=48, vol=9.133688e+05
    or (segid "   A" and resid    5 and name  HB2) (segid "   A" and resid   60 and name HD11)
    or (segid "   A" and resid    5 and name  HB2) (segid "   A" and resid   60 and name HD12)
    or (segid "   A" and resid    5 and name  HB2) (segid "   A" and resid   55 and name HD11)
    or (segid "   A" and resid    5 and name  HB2) (segid "   A" and resid   55 and name HD12)
    or (segid "   A" and resid    5 and name  HB2) (segid "   A" and resid   55 and name HD13)
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name  HG1) 2.527 0.798 0.798 weight 1.000 ! spec=13C_..._new, no=61, id=55, vol=1.424805e+06
    or (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name  HG2)
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name  HB2) 2.218 0.615 0.615 weight 1.000 ! spec=13C_..._new, no=63, id=57, vol=2.785192e+06
    or (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name  HB1)
assign (segid "   A" and resid    6 and name  HB2) (segid "   A" and resid    6 and name  HG1) 2.365 0.699 0.699 weight 1.000 ! spec=13C_..._new, no=69, id=62, vol=2.374482e+06
    or (segid "   A" and resid    6 and name  HB2) (segid "   A" and resid    6 and name  HG2)
assign (segid "   A" and resid    6 and name  HG1) (segid "   A" and resid    6 and name  HB1) 2.463 0.758 0.758 weight 1.000 ! spec=13C_..._new, no=79, id=69, vol=1.717109e+06
    or (segid "   A" and resid    6 and name  HB2) (segid "   A" and resid    6 and name  HG1)
assign (segid "   A" and resid    7 and name   HB) (segid "   A" and resid    9 and name  HB1) 2.993 1.120 1.120 weight 1.000 ! spec=13C_..._new, no=87, id=77, vol=2.475874e+05
    or (segid "   A" and resid    7 and name   HB) (segid "   A" and resid    9 and name  HB2)
assign (segid "   A" and resid    9 and name   HA) (segid "   A" and resid    9 and name  HB2) 2.263 0.640 0.640 weight 1.000 ! spec=13C_..._new, no=103, id=92, vol=2.872033e+06
    or (segid "   A" and resid    9 and name   HA) (segid "   A" and resid    9 and name  HB1)
assign (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   10 and name  HB1) 2.415 0.729 0.729 weight 1.000 ! spec=13C_..._new, no=108, id=97, vol=1.671023e+06
    or (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   10 and name  HB2)
assign (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid   10 and name   HN) 2.923 1.068 1.068 weight 1.000 ! spec=13C_..._new, no=112, id=101, vol=6.380235e+05
    or (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   10 and name   HN)
assign (segid "   A" and resid   10 and name  HG2) (segid "   A" and resid    6 and name  HG2) 2.032 0.516 0.516 weight 1.000 ! spec=13C_..._new, no=115, id=104, vol=5.213001e+06
    or (segid "   A" and resid   10 and name  HG1) (segid "   A" and resid    6 and name  HG2)
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   14 and name  HB1) 2.637 0.869 0.869 weight 1.000 ! spec=13C_..._new, no=117, id=106, vol=1.087705e+06
    or (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   14 and name  HB2)
    or (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   14 and name  HB3)
    or (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   23 and name HG21)
    or (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   23 and name HG23)
    or (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   23 and name HG22)
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   11 and name   HN) 2.244 0.629 0.629 weight 1.000 ! spec=13C_..._new, no=119, id=108, vol=2.925092e+06
    or (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   11 and name  HD1)
    or (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   11 and name  HD2)
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   14 and name   HN) 2.668 0.890 0.890 weight 1.000 ! spec=13C_..._new, no=120, id=109, vol=9.938410e+05
    or (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   12 and name   HN)
assign (segid "   A" and resid   47 and name  HB2) (segid "   A" and resid   50 and name  HB1) 2.960 1.095 1.095 weight 1.000 ! spec=13C_..._new, no=121, id=110, vol=4.391238e+05
    or (segid "   A" and resid   47 and name  HB2) (segid "   A" and resid   50 and name  HB2)
    or (segid "   A" and resid   47 and name  HB2) (segid "   A" and resid   50 and name  HB3)
    or (segid "   A" and resid   47 and name  HB1) (segid "   A" and resid   50 and name  HB1)
    or (segid "   A" and resid   47 and name  HB1) (segid "   A" and resid   50 and name  HB2)
    or (segid "   A" and resid   47 and name  HB1) (segid "   A" and resid   50 and name  HB3)
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   12 and name  HB1) 2.114 0.559 0.559 weight 1.000 ! spec=13C_..._new, no=135, id=124, vol=4.111786e+06
    or (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   12 and name  HB2)
assign (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   13 and name  HB2) 2.849 1.014 1.014 weight 1.000 ! spec=13C_..._new, no=155, id=141, vol=5.127312e+05
    or (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   13 and name  HB2)
    or (segid "   A" and resid   14 and name  HB3) (segid "   A" and resid   13 and name  HB2)
    or (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   15 and name   HA)
    or (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   15 and name   HA)
    or (segid "   A" and resid   14 and name  HB3) (segid "   A" and resid   15 and name   HA)
assign (segid "   A" and resid   15 and name   HB) (segid "   A" and resid   15 and name HG12) 2.510 0.788 0.788 weight 1.000 ! spec=13C_..._new, no=168, id=154, vol=1.670791e+06
    or (segid "   A" and resid   15 and name   HB) (segid "   A" and resid   15 and name HG11)
assign (segid "   A" and resid   15 and name HD12) (segid "   A" and resid   78 and name  HE2) 2.494 0.777 0.777 weight 1.000 ! spec=13C_..._new, no=172, id=158, vol=1.212118e+06
    or (segid "   A" and resid   15 and name HD12) (segid "   A" and resid   78 and name  HE1)
    or (segid "   A" and resid   15 and name HD11) (segid "   A" and resid   78 and name  HE2)
    or (segid "   A" and resid   15 and name HD11) (segid "   A" and resid   78 and name  HE1)
    or (segid "   A" and resid   15 and name HD13) (segid "   A" and resid   78 and name  HE2)
    or (segid "   A" and resid   15 and name HD13) (segid "   A" and resid   78 and name  HE1)
    or (segid "   A" and resid   15 and name HD12) (segid "   A" and resid   15 and name   HN)
    or (segid "   A" and resid   15 and name HD11) (segid "   A" and resid   15 and name   HN)
    or (segid "   A" and resid   15 and name HD13) (segid "   A" and resid   15 and name   HN)
assign (segid "   A" and resid   15 and name HD12) (segid "   A" and resid   78 and name  HB1) 3.008 1.131 1.131 weight 1.000 ! spec=13C_..._new, no=174, id=160, vol=4.247948e+05
    or (segid "   A" and resid   15 and name HD11) (segid "   A" and resid   78 and name  HB1)
    or (segid "   A" and resid   15 and name HD13) (segid "   A" and resid   78 and name  HB1)
    or (segid "   A" and resid   15 and name HD12) (segid "   A" and resid   78 and name  HB2)
    or (segid "   A" and resid   15 and name HD11) (segid "   A" and resid   78 and name  HB2)
    or (segid "   A" and resid   15 and name HD13) (segid "   A" and resid   78 and name  HB2)
assign (segid "   A" and resid   15 and name HD12) (segid "   A" and resid   15 and name HG12) 1.939 0.470 0.470 weight 1.000 ! spec=13C_..._new, no=180, id=166, vol=5.755793e+06
    or (segid "   A" and resid   15 and name HD11) (segid "   A" and resid   15 and name HG12)
    or (segid "   A" and resid   15 and name HD13) (segid "   A" and resid   15 and name HG12)
    or (segid "   A" and resid   15 and name HD12) (segid "   A" and resid   15 and name HG11)
    or (segid "   A" and resid   15 and name HD11) (segid "   A" and resid   15 and name HG11)
    or (segid "   A" and resid   15 and name HD13) (segid "   A" and resid   15 and name HG11)
assign (segid "   A" and resid   15 and name   HB) (segid "   A" and resid   15 and name HG21) 1.946 0.474 0.474 weight 1.000 ! spec=13C_..._new, no=192, id=177, vol=5.731737e+06
    or (segid "   A" and resid   15 and name   HB) (segid "   A" and resid   15 and name HG23)
    or (segid "   A" and resid   15 and name   HB) (segid "   A" and resid   15 and name HG22)
    or (segid "   A" and resid   15 and name HG21) (segid "   A" and resid   21 and name HG12)
    or (segid "   A" and resid   15 and name HG21) (segid "   A" and resid   21 and name HG11)
    or (segid "   A" and resid   15 and name HG21) (segid "   A" and resid   21 and name HG13)
    or (segid "   A" and resid   15 and name HG23) (segid "   A" and resid   21 and name HG12)
    or (segid "   A" and resid   15 and name HG23) (segid "   A" and resid   21 and name HG11)
    or (segid "   A" and resid   15 and name HG23) (segid "   A" and resid   21 and name HG13)
    or (segid "   A" and resid   15 and name HG22) (segid "   A" and resid   21 and name HG12)
    or (segid "   A" and resid   15 and name HG22) (segid "   A" and resid   21 and name HG11)
    or (segid "   A" and resid   15 and name HG22) (segid "   A" and resid   21 and name HG13)
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   17 and name  HB2) 2.450 0.750 0.750 weight 1.000 ! spec=13C_..._new, no=210, id=195, vol=1.846816e+06
    or (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   17 and name  HB1)
assign (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   17 and name  HG2) 2.625 0.861 0.861 weight 1.000 ! spec=13C_..._new, no=227, id=212, vol=1.301474e+06
    or (segid "   A" and resid   17 and name  HG2) (segid "   A" and resid   17 and name  HB1)
assign (segid "   A" and resid   19 and name  HB2) (segid "   A" and resid   19 and name  HG1) 2.313 0.669 0.669 weight 1.000 ! spec=13C_..._new, no=244, id=227, vol=2.694663e+06
    or (segid "   A" and resid   19 and name  HB2) (segid "   A" and resid   19 and name  HG2)
assign (segid "   A" and resid   19 and name  HG2) (segid "   A" and resid   19 and name  HD1) 2.258 0.637 0.637 weight 1.000 ! spec=13C_..._new, no=249, id=232, vol=3.150391e+06
    or (segid "   A" and resid   19 and name  HG2) (segid "   A" and resid   19 and name  HD2)
assign (segid "   A" and resid   20 and name HD13) (segid "   A" and resid   21 and name   HA) 2.235 0.624 0.624 weight 1.000 ! spec=13C_..._new, no=261, id=244, vol=2.150897e+06
    or (segid "   A" and resid   20 and name HD11) (segid "   A" and resid   21 and name   HA)
    or (segid "   A" and resid   20 and name HD12) (segid "   A" and resid   21 and name   HA)
    or (segid "   A" and resid   20 and name HD13) (segid "   A" and resid   22 and name   HA)
    or (segid "   A" and resid   20 and name HD11) (segid "   A" and resid   22 and name   HA)
    or (segid "   A" and resid   20 and name HD12) (segid "   A" and resid   22 and name   HA)
assign (segid "   A" and resid   36 and name HG12) (segid "   A" and resid   36 and name   HB) 2.658 0.883 0.883 weight 1.000 ! spec=13C_..._new, no=451, id=426, vol=1.031650e+06
    or (segid "   A" and resid   36 and name HG11) (segid "   A" and resid   36 and name   HB)
assign (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   39 and name  HB2) 2.068 0.534 0.534 weight 1.000 ! spec=13C_..._new, no=477, id=451, vol=5.064415e+06
    or (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   42 and name  HB2)
assign (segid "   A" and resid    4 and name  HB1) (segid "   A" and resid    4 and name  HG1) 2.308 0.666 0.666 weight 1.000 ! spec=13C_..._new, no=490, id=464, vol=2.256724e+06
    or (segid "   A" and resid    4 and name  HB2) (segid "   A" and resid    4 and name  HG1)
assign (segid "   A" and resid   40 and name   HA) (segid "   A" and resid   41 and name   HN) 3.116 1.214 1.214 weight 1.000 ! spec=13C_..._new, no=496, id=470, vol=4.063104e+05
    or (segid "   A" and resid   40 and name   HA) (segid "   A" and resid   42 and name   HN)
assign (segid "   A" and resid   42 and name  HD1) (segid "   A" and resid   43 and name   HA) 2.876 1.034 1.034 weight 1.000 ! spec=13C_..._new, no=533, id=503, vol=2.806923e+05
    or (segid "   A" and resid   42 and name  HD2) (segid "   A" and resid   43 and name   HA)
assign (segid "   A" and resid   42 and name  HD1) (segid "   A" and resid   42 and name  HG2) 1.848 0.427 0.427 weight 1.000 ! spec=13C_..._new, no=534, id=504, vol=9.878491e+06
    or (segid "   A" and resid   42 and name  HD1) (segid "   A" and resid   42 and name  HG1)
assign (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   45 and name  HB1) 1.958 0.479 0.479 weight 1.000 ! spec=13C_..._new, no=552, id=522, vol=6.477214e+06
    or (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   45 and name  HB2)
assign (segid "   A" and resid   46 and name  HG1) (segid "   A" and resid   42 and name  HG2) 2.699 0.911 0.911 weight 1.000 ! spec=13C_..._new, no=572, id=540, vol=1.788303e+05
    or (segid "   A" and resid   46 and name  HG1) (segid "   A" and resid   42 and name  HG1)
assign (segid "   A" and resid   47 and name  HB2) (segid "   A" and resid   47 and name   HA) 2.282 0.651 0.651 weight 1.000 ! spec=13C_..._new, no=580, id=547, vol=2.684197e+06
    or (segid "   A" and resid   47 and name   HA) (segid "   A" and resid   47 and name  HB1)
assign (segid "   A" and resid   48 and name  HB1) (segid "   A" and resid   48 and name   HA) 2.128 0.566 0.566 weight 1.000 ! spec=13C_..._new, no=585, id=552, vol=4.138275e+06
    or (segid "   A" and resid   48 and name   HA) (segid "   A" and resid   48 and name  HB2)
    or (segid "   A" and resid   32 and name   HA) (segid "   A" and resid   35 and name  HG2)
assign (segid "   A" and resid   32 and name   HA) (segid "   A" and resid   36 and name   HN) 2.797 0.978 0.978 weight 1.000 ! spec=13C_..._new, no=586, id=553, vol=6.399421e+05
    or (segid "   A" and resid   32 and name   HA) (segid "   A" and resid   35 and name   HN)
assign (segid "   A" and resid   49 and name   HA) (segid "   A" and resid   49 and name  HG1) 2.540 0.806 0.806 weight 1.000 ! spec=13C_..._new, no=590, id=557, vol=1.068350e+06
    or (segid "   A" and resid   49 and name   HA) (segid "   A" and resid   49 and name  HG2)
assign (segid "   A" and resid   49 and name  HB2) (segid "   A" and resid   49 and name  HG2) 2.599 0.845 0.845 weight 1.000 ! spec=13C_..._new, no=595, id=562, vol=1.237912e+06
    or (segid "   A" and resid   49 and name  HB2) (segid "   A" and resid   49 and name  HG1)
assign (segid "   A" and resid   49 and name  HB2) (segid "   A" and resid   49 and name  HG1) 2.611 0.852 0.852 weight 1.000 ! spec=13C_..._new, no=596, id=563, vol=1.203168e+06
    or (segid "   A" and resid   49 and name  HB1) (segid "   A" and resid   49 and name  HG1)
    or (segid "   A" and resid   49 and name  HB1) (segid "   A" and resid   49 and name  HG2)
assign (segid "   A" and resid   49 and name  HG1) (segid "   A" and resid   49 and name HE21) 2.537 0.805 0.805 weight 1.000 ! spec=13C_..._new, no=598, id=565, vol=1.215155e+06
    or (segid "   A" and resid   49 and name  HG2) (segid "   A" and resid   49 and name HE21)
assign (segid "   A" and resid   49 and name  HG2) (segid "   A" and resid  103 and name  HB3) 2.971 1.104 1.104 weight 1.000 ! spec=13C_..._new, no=600, id=567, vol=4.334197e+05
    or (segid "   A" and resid   49 and name  HG2) (segid "   A" and resid  103 and name  HB1)
    or (segid "   A" and resid   49 and name  HG2) (segid "   A" and resid  103 and name  HB2)
    or (segid "   A" and resid   49 and name  HG2) (segid "   A" and resid   50 and name  HB1)
    or (segid "   A" and resid   49 and name  HG2) (segid "   A" and resid   50 and name  HB2)
    or (segid "   A" and resid   49 and name  HG2) (segid "   A" and resid   50 and name  HB3)
assign (segid "   A" and resid   54 and name   HA) (segid "   A" and resid    2 and name HG23) 2.534 0.803 0.803 weight 1.000 ! spec=13C_..._new, no=650, id=616, vol=1.266348e+06
    or (segid "   A" and resid   54 and name   HA) (segid "   A" and resid    2 and name HG21)
    or (segid "   A" and resid   54 and name   HA) (segid "   A" and resid    2 and name HG22)
    or (segid "   A" and resid   75 and name   HA) (segid "   A" and resid   77 and name HD21)
    or (segid "   A" and resid   75 and name   HA) (segid "   A" and resid   77 and name HD23)
    or (segid "   A" and resid   75 and name   HA) (segid "   A" and resid   77 and name HD22)
assign (segid "   A" and resid   94 and name   HA) (segid "   A" and resid   97 and name  HB2) 2.019 0.509 0.509 weight 1.000 ! spec=13C_..._new, no=699, id=665, vol=5.605141e+06
    or (segid "   A" and resid   94 and name   HA) (segid "   A" and resid   97 and name  HB1)
assign (segid "   A" and resid   59 and name   HA) (segid "   A" and resid   59 and name  HB1) 1.931 0.466 0.466 weight 1.000 ! spec=13C_..._new, no=730, id=694, vol=7.517106e+06
    or (segid "   A" and resid   59 and name   HA) (segid "   A" and resid   59 and name  HB2)
assign (segid "   A" and resid   59 and name  HG2) (segid "   A" and resid   59 and name  HB2) 2.306 0.665 0.665 weight 1.000 ! spec=13C_..._new, no=735, id=699, vol=2.368478e+06
    or (segid "   A" and resid   59 and name  HG1) (segid "   A" and resid   59 and name  HB2)
assign (segid "   A" and resid   63 and name HG21) (segid "   A" and resid   60 and name  HB2) 2.601 0.845 0.845 weight 1.000 ! spec=13C_..._new, no=784, id=746, vol=1.218702e+06
    or (segid "   A" and resid   63 and name HG23) (segid "   A" and resid   60 and name  HB2)
    or (segid "   A" and resid   63 and name HG22) (segid "   A" and resid   60 and name  HB2)
    or (segid "   A" and resid   63 and name HG21) (segid "   A" and resid   64 and name  HB3)
    or (segid "   A" and resid   63 and name HG21) (segid "   A" and resid   64 and name  HB1)
    or (segid "   A" and resid   63 and name HG21) (segid "   A" and resid   64 and name  HB2)
    or (segid "   A" and resid   63 and name HG23) (segid "   A" and resid   64 and name  HB3)
    or (segid "   A" and resid   63 and name HG23) (segid "   A" and resid   64 and name  HB1)
    or (segid "   A" and resid   63 and name HG23) (segid "   A" and resid   64 and name  HB2)
    or (segid "   A" and resid   63 and name HG22) (segid "   A" and resid   64 and name  HB3)
    or (segid "   A" and resid   63 and name HG22) (segid "   A" and resid   64 and name  HB1)
    or (segid "   A" and resid   63 and name HG22) (segid "   A" and resid   64 and name  HB2)
assign (segid "   A" and resid   64 and name  HB3) (segid "   A" and resid   57 and name   HB) 2.490 0.775 0.775 weight 1.000 ! spec=13C_..._new, no=800, id=762, vol=1.433730e+06
    or (segid "   A" and resid   64 and name  HB1) (segid "   A" and resid   57 and name   HB)
    or (segid "   A" and resid   64 and name  HB2) (segid "   A" and resid   57 and name   HB)
    or (segid "   A" and resid   64 and name  HB3) (segid "   A" and resid   65 and name  HG1)
    or (segid "   A" and resid   64 and name  HB1) (segid "   A" and resid   65 and name  HG1)
    or (segid "   A" and resid   64 and name  HB2) (segid "   A" and resid   65 and name  HG1)
assign (segid "   A" and resid   65 and name  HB2) (segid "   A" and resid   65 and name   HA) 2.368 0.701 0.701 weight 1.000 ! spec=13C_..._new, no=807, id=769, vol=2.052765e+06
    or (segid "   A" and resid   65 and name  HB1) (segid "   A" and resid   65 and name   HA)
assign (segid "   A" and resid   86 and name  HB1) (segid "   A" and resid   86 and name   HA) 2.752 0.946 0.946 weight 1.000 ! spec=13C_..._new, no=867, id=824, vol=9.370635e+05
    or (segid "   A" and resid   82 and name  HB1) (segid "   A" and resid   82 and name   HA)
assign (segid "   A" and resid   74 and name HG21) (segid "   A" and resid   76 and name   HN) 2.847 1.014 1.014 weight 1.000 ! spec=13C_..._new, no=887, id=843, vol=4.589132e+05
    or (segid "   A" and resid   74 and name HG22) (segid "   A" and resid   76 and name   HN)
    or (segid "   A" and resid   74 and name HG23) (segid "   A" and resid   76 and name   HN)
    or (segid "   A" and resid   74 and name HG21) (segid "   A" and resid   25 and name   HN)
    or (segid "   A" and resid   74 and name HG22) (segid "   A" and resid   25 and name   HN)
    or (segid "   A" and resid   74 and name HG23) (segid "   A" and resid   25 and name   HN)
assign (segid "   A" and resid   75 and name  HB2) (segid "   A" and resid   24 and name   HA) 2.869 1.029 1.029 weight 1.000 ! spec=13C_..._new, no=892, id=848, vol=5.294627e+05
    or (segid "   A" and resid   75 and name  HB2) (segid "   A" and resid   76 and name   HA)
assign (segid "   A" and resid   77 and name   HG) (segid "   A" and resid   76 and name   HA) 2.681 0.898 0.898 weight 1.000 ! spec=13C_..._new, no=900, id=856, vol=1.096088e+06
    or (segid "   A" and resid   76 and name   HA) (segid "   A" and resid   76 and name   HG)
assign (segid "   A" and resid   76 and name   HA) (segid "   A" and resid   76 and name HD23) 1.956 0.478 0.478 weight 1.000 ! spec=13C_..._new, no=910, id=866, vol=5.189778e+06
    or (segid "   A" and resid   76 and name   HA) (segid "   A" and resid   76 and name HD21)
    or (segid "   A" and resid   76 and name   HA) (segid "   A" and resid   76 and name HD22)
    or (segid "   A" and resid   76 and name HD23) (segid "   A" and resid   86 and name   HA)
    or (segid "   A" and resid   76 and name HD21) (segid "   A" and resid   86 and name   HA)
    or (segid "   A" and resid   76 and name HD22) (segid "   A" and resid   86 and name   HA)
assign (segid "   A" and resid   86 and name  HB1) (segid "   A" and resid   86 and name  HG2) 2.490 0.775 0.775 weight 1.000 ! spec=13C_..._new, no=919, id=875, vol=1.459226e+06
    or (segid "   A" and resid   86 and name  HB1) (segid "   A" and resid   86 and name  HG1)
assign (segid "   A" and resid   86 and name  HG2) (segid "   A" and resid   86 and name   HA) 2.289 0.655 0.655 weight 1.000 ! spec=13C_..._new, no=924, id=880, vol=1.923605e+06
    or (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   75 and name HD11)
    or (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   75 and name HD13)
    or (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   75 and name HD12)
assign (segid "   A" and resid   77 and name  HB1) (segid "   A" and resid   77 and name HD13) 2.707 0.916 0.916 weight 1.000 ! spec=13C_..._new, no=931, id=887, vol=1.026535e+06
    or (segid "   A" and resid   77 and name  HB1) (segid "   A" and resid   77 and name HD11)
    or (segid "   A" and resid   77 and name  HB1) (segid "   A" and resid   77 and name HD12)
    or (segid "   A" and resid   77 and name  HB1) (segid "   A" and resid   77 and name HD21)
    or (segid "   A" and resid   77 and name  HB1) (segid "   A" and resid   77 and name HD23)
    or (segid "   A" and resid   77 and name  HB1) (segid "   A" and resid   77 and name HD22)
assign (segid "   A" and resid   77 and name HD13) (segid "   A" and resid   77 and name   HG) 2.122 0.563 0.563 weight 1.000 ! spec=13C_..._new, no=939, id=895, vol=3.516535e+06
    or (segid "   A" and resid   77 and name HD11) (segid "   A" and resid   77 and name   HG)
    or (segid "   A" and resid   77 and name HD12) (segid "   A" and resid   77 and name   HG)
    or (segid "   A" and resid   77 and name HD21) (segid "   A" and resid   77 and name   HG)
    or (segid "   A" and resid   77 and name HD23) (segid "   A" and resid   77 and name   HG)
    or (segid "   A" and resid   77 and name HD22) (segid "   A" and resid   77 and name   HG)
assign (segid "   A" and resid   77 and name HD21) (segid "   A" and resid   22 and name   HB) 1.830 0.419 0.419 weight 1.000 ! spec=13C_..._new, no=940, id=896, vol=7.902456e+06
    or (segid "   A" and resid   77 and name HD23) (segid "   A" and resid   22 and name   HB)
    or (segid "   A" and resid   77 and name HD22) (segid "   A" and resid   22 and name   HB)
    or (segid "   A" and resid   77 and name  HB2) (segid "   A" and resid   77 and name HD13)
    or (segid "   A" and resid   77 and name  HB2) (segid "   A" and resid   77 and name HD11)
    or (segid "   A" and resid   77 and name  HB2) (segid "   A" and resid   77 and name HD12)
assign (segid "   A" and resid   78 and name   HA) (segid "   A" and resid   78 and name  HB2) 2.277 0.648 0.648 weight 1.000 ! spec=13C_..._new, no=949, id=905, vol=2.586754e+06
    or (segid "   A" and resid   78 and name   HA) (segid "   A" and resid   78 and name  HB1)
assign (segid "   A" and resid   78 and name   HA) (segid "   A" and resid   79 and name  HB2) 2.860 1.022 1.022 weight 1.000 ! spec=13C_..._new, no=950, id=906, vol=6.023326e+05
    or (segid "   A" and resid   78 and name   HA) (segid "   A" and resid   83 and name  HB1)
    or (segid "   A" and resid   78 and name   HA) (segid "   A" and resid   83 and name  HB2)
assign (segid "   A" and resid   82 and name  HD1) (segid "   A" and resid   82 and name  HE2) 2.376 0.706 0.706 weight 1.000 ! spec=13C_..._new, no=995, id=950, vol=1.772925e+06
    or (segid "   A" and resid   82 and name  HD2) (segid "   A" and resid   82 and name  HE2)
assign (segid "   A" and resid   83 and name   HA) (segid "   A" and resid   83 and name  HB2) 2.129 0.567 0.567 weight 1.000 ! spec=13C_..._new, no=997, id=952, vol=3.412463e+06
    or (segid "   A" and resid   83 and name   HA) (segid "   A" and resid   83 and name  HB1)
assign (segid "   A" and resid   79 and name  HB1) (segid "   A" and resid   84 and name HG11) 2.313 0.669 0.669 weight 1.000 ! spec=13C_..._new, no=1015, id=970, vol=2.354159e+06
    or (segid "   A" and resid   79 and name  HB1) (segid "   A" and resid   84 and name HG12)
    or (segid "   A" and resid   79 and name  HB1) (segid "   A" and resid   84 and name HG13)
    or (segid "   A" and resid   84 and name HG11) (segid "   A" and resid   77 and name   HG)
    or (segid "   A" and resid   84 and name HG12) (segid "   A" and resid   77 and name   HG)
    or (segid "   A" and resid   84 and name HG13) (segid "   A" and resid   77 and name   HG)
assign (segid "   A" and resid   94 and name   HA) (segid "   A" and resid   97 and name   HN) 2.099 0.551 0.551 weight 1.000 ! spec=13C_..._new, no=1079, id=1033, vol=4.239433e+06
    or (segid "   A" and resid   94 and name   HA) (segid "   A" and resid   95 and name   HN)
assign (segid "   A" and resid   96 and name   HA) (segid "   A" and resid   97 and name   HN) 2.587 0.836 0.836 weight 1.000 ! spec=13C_..._new, no=1118, id=1069, vol=1.159434e+06
    or (segid "   A" and resid   96 and name   HA) (segid "   A" and resid   99 and name   HN)
assign (segid "   A" and resid  103 and name   HA) (segid "   A" and resid  103 and name   HN) 2.057 0.529 0.529 weight 1.000 ! spec=13C_..._new, no=1126, id=1077, vol=4.908804e+06
    or (segid "   A" and resid   98 and name   HA) (segid "   A" and resid   98 and name   HN)
assign (segid "   A" and resid  103 and name   HA) (segid "   A" and resid  103 and name  HB3) 1.718 0.369 0.369 weight 1.000 ! spec=13C_..._new, no=1130, id=1081, vol=1.470262e+07
    or (segid "   A" and resid  103 and name   HA) (segid "   A" and resid  103 and name  HB1)
    or (segid "   A" and resid  103 and name   HA) (segid "   A" and resid  103 and name  HB2)
    or (segid "   A" and resid   98 and name   HA) (segid "   A" and resid   98 and name  HB1)
    or (segid "   A" and resid   98 and name   HA) (segid "   A" and resid   98 and name  HB3)
    or (segid "   A" and resid   98 and name   HA) (segid "   A" and resid   98 and name  HB2)
assign (segid "   A" and resid   99 and name   HA) (segid "   A" and resid  102 and name HD21) 2.923 1.068 1.068 weight 1.000 ! spec=13C_..._new, no=1142, id=1093, vol=5.394648e+05
    or (segid "   A" and resid   99 and name   HA) (segid "   A" and resid  102 and name   HN)
assign (segid "   A" and resid   99 and name   HA) (segid "   A" and resid   99 and name   HB) 2.502 0.783 0.783 weight 1.000 ! spec=13C_..._new, no=1144, id=1095, vol=1.539347e+06
    or (segid "   A" and resid   99 and name   HA) (segid "   A" and resid  103 and name  HB3)
    or (segid "   A" and resid   99 and name   HA) (segid "   A" and resid  103 and name  HB1)
    or (segid "   A" and resid   99 and name   HA) (segid "   A" and resid  103 and name  HB2)
assign (segid "   A" and resid   99 and name HD13) (segid "   A" and resid   43 and name  HD2) 2.484 0.771 0.771 weight 1.000 ! spec=13C_..._new, no=1160, id=1111, vol=1.338504e+06
    or (segid "   A" and resid   99 and name HD13) (segid "   A" and resid   43 and name  HD1)
    or (segid "   A" and resid   99 and name HD11) (segid "   A" and resid   43 and name  HD2)
    or (segid "   A" and resid   99 and name HD11) (segid "   A" and resid   43 and name  HD1)
    or (segid "   A" and resid   99 and name HD12) (segid "   A" and resid   43 and name  HD2)
    or (segid "   A" and resid   99 and name HD12) (segid "   A" and resid   43 and name  HD1)
    or (segid "   A" and resid   99 and name HD13) (segid "   A" and resid   47 and name  HD2)
    or (segid "   A" and resid   99 and name HD13) (segid "   A" and resid   47 and name  HD1)
    or (segid "   A" and resid   99 and name HD11) (segid "   A" and resid   47 and name  HD2)
    or (segid "   A" and resid   99 and name HD11) (segid "   A" and resid   47 and name  HD1)
    or (segid "   A" and resid   99 and name HD12) (segid "   A" and resid   47 and name  HD2)
    or (segid "   A" and resid   99 and name HD12) (segid "   A" and resid   47 and name  HD1)
assign (segid "   A" and resid  101 and name  HB2) (segid "   A" and resid  102 and name HD21) 2.181 0.595 0.595 weight 1.000 ! spec=13C_..._new, no=1180, id=1131, vol=2.717424e+06
    or (segid "   A" and resid  101 and name  HB1) (segid "   A" and resid  102 and name HD21)
    or (segid "   A" and resid  101 and name  HB3) (segid "   A" and resid  102 and name HD21)
    or (segid "   A" and resid  101 and name  HB2) (segid "   A" and resid  102 and name   HN)
    or (segid "   A" and resid  101 and name  HB1) (segid "   A" and resid  102 and name   HN)
    or (segid "   A" and resid  101 and name  HB3) (segid "   A" and resid  102 and name   HN)
assign (segid "   A" and resid  102 and name  HB1) (segid "   A" and resid  102 and name   HN) 2.701 0.912 0.912 weight 1.000 ! spec=13C_..._new, no=1191, id=1142, vol=9.199883e+05
    or (segid "   A" and resid  102 and name  HB1) (segid "   A" and resid  102 and name HD21)
assign (segid "   A" and resid  103 and name  HB3) (segid "   A" and resid   47 and name  HB2) 2.704 0.914 0.914 weight 1.000 ! spec=13C_..._new, no=1198, id=1149, vol=4.664555e+05
    or (segid "   A" and resid  103 and name  HB1) (segid "   A" and resid   47 and name  HB2)
    or (segid "   A" and resid  103 and name  HB2) (segid "   A" and resid   47 and name  HB2)
    or (segid "   A" and resid  103 and name  HB3) (segid "   A" and resid   47 and name  HB1)
    or (segid "   A" and resid  103 and name  HB1) (segid "   A" and resid   47 and name  HB1)
    or (segid "   A" and resid  103 and name  HB2) (segid "   A" and resid   47 and name  HB1)
assign (segid "   A" and resid   92 and name   HA) (segid "   A" and resid   92 and name  HG2) 2.869 1.029 1.029 weight 1.000 ! spec=13C_..._new, no=1204, id=1155, vol=4.292608e+05
    or (segid "   A" and resid   95 and name   HB) (segid "   A" and resid   92 and name   HA)
assign (segid "   A" and resid   55 and name HD11) (segid "   A" and resid   55 and name   HG) 1.952 0.477 0.477 weight 1.000 ! spec=13C_..._new, no=1250, id=1199, vol=7.663805e+06
    or (segid "   A" and resid   55 and name HD12) (segid "   A" and resid   55 and name   HG)
    or (segid "   A" and resid   55 and name HD13) (segid "   A" and resid   55 and name   HG)
    or (segid "   A" and resid   60 and name   HG) (segid "   A" and resid   55 and name HD11)
    or (segid "   A" and resid   60 and name   HG) (segid "   A" and resid   55 and name HD12)
    or (segid "   A" and resid   60 and name   HG) (segid "   A" and resid   55 and name HD13)
assign (segid "   A" and resid   90 and name  HB3) (segid "   A" and resid   32 and name  HB2) 2.402 0.721 0.721 weight 1.000 ! spec=13C_..._new, no=1279, id=1224, vol=1.658318e+06
    or (segid "   A" and resid   90 and name  HB1) (segid "   A" and resid   32 and name  HB2)
    or (segid "   A" and resid   90 and name  HB2) (segid "   A" and resid   32 and name  HB2)
    or (segid "   A" and resid   90 and name  HB3) (segid "   A" and resid   32 and name  HB1)
    or (segid "   A" and resid   90 and name  HB1) (segid "   A" and resid   32 and name  HB1)
    or (segid "   A" and resid   90 and name  HB2) (segid "   A" and resid   32 and name  HB1)
assign (segid "   A" and resid   53 and name   HA) (segid "   A" and resid   53 and name  HB2) 3.057 1.168 1.168 weight 1.000 ! spec=13C_..._new, no=1287, id=1232, vol=4.342078e+05
    or (segid "   A" and resid   53 and name  HB1) (segid "   A" and resid   53 and name   HA)
assign (segid "   A" and resid   94 and name   HA) (segid "   A" and resid   96 and name   HN) 2.548 0.811 0.811 weight 1.000 ! spec=13C_..._new, no=1298, id=1242, vol=1.178554e+06
    or (segid "   A" and resid   93 and name   HA) (segid "   A" and resid   96 and name   HN)
assign (segid "   A" and resid   32 and name  HG1) (segid "   A" and resid   32 and name  HB2) 2.164 0.585 0.585 weight 1.000 ! spec=13C_..._new, no=1302, id=1244, vol=3.603556e+06
    or (segid "   A" and resid   32 and name  HG2) (segid "   A" and resid   32 and name  HB1)
    or (segid "   A" and resid   32 and name  HG2) (segid "   A" and resid   32 and name  HB2)
assign (segid "   A" and resid   63 and name HG12) (segid "   A" and resid   63 and name   HB) 1.953 0.477 0.477 weight 1.000 ! spec=13C_..._new, no=1316, id=1255, vol=6.555982e+06
    or (segid "   A" and resid   63 and name HG11) (segid "   A" and resid   63 and name   HB)
    or (segid "   A" and resid   63 and name HG13) (segid "   A" and resid   63 and name   HB)
    or (segid "   A" and resid   87 and name   HB) (segid "   A" and resid   87 and name HG21)
    or (segid "   A" and resid   87 and name   HB) (segid "   A" and resid   87 and name HG23)
    or (segid "   A" and resid   87 and name   HB) (segid "   A" and resid   87 and name HG22)
    or (segid "   A" and resid   88 and name HG13) (segid "   A" and resid   88 and name   HB)
    or (segid "   A" and resid   88 and name HG11) (segid "   A" and resid   88 and name   HB)
    or (segid "   A" and resid   88 and name HG12) (segid "   A" and resid   88 and name   HB)
assign (segid "   A" and resid   90 and name  HB3) (segid "   A" and resid   32 and name  HG2) 2.259 0.638 0.638 weight 1.000 ! spec=13C_..._new, no=1362, id=1290, vol=2.484688e+06
    or (segid "   A" and resid   90 and name  HB1) (segid "   A" and resid   32 and name  HG2)
    or (segid "   A" and resid   90 and name  HB2) (segid "   A" and resid   32 and name  HG2)
    or (segid "   A" and resid   90 and name  HB3) (segid "   A" and resid   32 and name  HG1)
    or (segid "   A" and resid   90 and name  HB1) (segid "   A" and resid   32 and name  HG1)
    or (segid "   A" and resid   90 and name  HB2) (segid "   A" and resid   32 and name  HG1)
assign (segid "   A" and resid   32 and name  HD2) (segid "   A" and resid   32 and name  HG2) 2.919 1.065 1.065 weight 1.000 ! spec=13C_..._new, no=1390, id=1312, vol=4.078599e+05
    or (segid "   A" and resid   32 and name  HD2) (segid "   A" and resid   32 and name  HG1)
assign (segid "   A" and resid   30 and name  HB2) (segid "   A" and resid   30 and name   HA) 2.791 0.974 0.974 weight 1.000 ! spec=13C_..._new, no=1394, id=1316, vol=8.229821e+05
    or (segid "   A" and resid   32 and name  HD1) (segid "   A" and resid   30 and name  HB2)
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid   54 and name   HN) 3.503 1.534 1.534 weight 1.000 ! spec=15N_..._new, no=17, id=1334, vol=2.131805e+05
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    5 and name   HN)
assign (segid "   A" and resid    6 and name  HB1) (segid "   A" and resid    6 and name   HN) 2.495 0.778 0.778 weight 1.000 ! spec=15N_..._new, no=37, id=1354, vol=2.194780e+06
    or (segid "   A" and resid    6 and name  HB2) (segid "   A" and resid    6 and name   HN)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid   10 and name  HG1) 3.014 1.135 1.135 weight 1.000 ! spec=15N_..._new, no=48, id=1365, vol=6.659535e+05
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid   10 and name  HG2)
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name  HB1) 2.879 1.036 1.036 weight 1.000 ! spec=15N_..._new, no=64, id=1381, vol=1.031274e+06
    or (segid "   A" and resid    9 and name  HB2) (segid "   A" and resid    9 and name   HN)
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   41 and name   HN) 2.589 0.838 0.838 weight 1.000 ! spec=15N_..._new, no=79, id=1396, vol=1.832918e+06
    or (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   47 and name   HN)
    or (segid "   A" and resid   99 and name   HN) (segid "   A" and resid   98 and name   HN)
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   13 and name   HN) 2.426 0.736 0.736 weight 1.000 ! spec=15N_..._new, no=89, id=1406, vol=2.425703e+06
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name  HB1)
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   14 and name   HA) 2.430 0.738 0.738 weight 1.000 ! spec=15N_..._new, no=112, id=1429, vol=2.491205e+06
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   13 and name   HA)
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   16 and name   HN) 2.218 0.615 0.615 weight 1.000 ! spec=15N_..._new, no=113, id=1430, vol=4.322990e+06
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   17 and name   HN)
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   14 and name   HA) 2.560 0.819 0.819 weight 1.000 ! spec=15N_..._new, no=121, id=1438, vol=1.724114e+06
    or (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   17 and name   HN)
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   17 and name  HB1) 2.451 0.751 0.751 weight 1.000 ! spec=15N_..._new, no=149, id=1464, vol=2.114674e+06
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   17 and name  HB2)
assign (segid "   A" and resid   19 and name  HG2) (segid "   A" and resid   19 and name   HN) 2.322 0.674 0.674 weight 1.000 ! spec=15N_..._new, no=150, id=1465, vol=2.997801e+06
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name  HG1)
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   22 and name   HN) 3.120 1.217 1.217 weight 1.000 ! spec=15N_..._new, no=172, id=1485, vol=6.434505e+05
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   25 and name   HN)
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   20 and name HD21) 2.736 0.936 0.936 weight 1.000 ! spec=15N_..._new, no=179, id=1492, vol=1.272590e+06
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   20 and name HD22)
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   20 and name HD23)
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   77 and name HD21)
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   77 and name HD23)
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   77 and name HD22)
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid    2 and name HG23)
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid    2 and name HG21)
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid    2 and name HG22)
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   77 and name HD13)
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   77 and name HD11)
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   77 and name HD12)
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name   HN) 3.328 1.385 1.385 weight 1.000 ! spec=15N_..._new, no=182, id=1494, vol=3.832139e+05
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   24 and name   HN)
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   35 and name   HN) 3.638 1.655 1.655 weight 1.000 ! spec=15N_..._new, no=232, id=1543, vol=1.752278e+05
    or (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   36 and name   HN)
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   41 and name   HN) 3.039 1.155 1.155 weight 1.000 ! spec=15N_..._new, no=260, id=1569, vol=5.732479e+05
    or (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   37 and name   HN)
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   43 and name  HB1) 3.549 1.574 1.574 weight 1.000 ! spec=15N_..._new, no=265, id=1574, vol=1.775239e+05
    or (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   44 and name  HB2)
assign (segid "   A" and resid   40 and name   HA) (segid "   A" and resid   42 and name   HN) 3.094 1.197 1.197 weight 1.000 ! spec=15N_..._new, no=279, id=1588, vol=5.522069e+05
    or (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   41 and name   HA)
assign (segid "   A" and resid   42 and name  HB1) (segid "   A" and resid   42 and name   HN) 2.183 0.596 0.596 weight 1.000 ! spec=15N_..._new, no=281, id=1590, vol=4.932504e+06
    or (segid "   A" and resid   42 and name  HB2) (segid "   A" and resid   42 and name   HN)
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   45 and name  HB1) 3.399 1.444 1.444 weight 1.000 ! spec=15N_..._new, no=294, id=1603, vol=3.343285e+05
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   45 and name  HB2)
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   42 and name   HN) 2.924 1.069 1.069 weight 1.000 ! spec=15N_..._new, no=301, id=1610, vol=9.035989e+05
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   46 and name   HN)
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   47 and name  HD2) 3.232 1.305 1.305 weight 1.000 ! spec=15N_..._new, no=302, id=1611, vol=4.582890e+05
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   47 and name  HD1)
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   43 and name  HD2)
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   43 and name  HD1)
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   45 and name  HB2) 2.235 0.624 0.624 weight 1.000 ! spec=15N_..._new, no=306, id=1615, vol=4.459224e+06
    or (segid "   A" and resid   45 and name  HB1) (segid "   A" and resid   45 and name   HN)
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   42 and name  HB1) 3.578 1.601 1.601 weight 1.000 ! spec=15N_..._new, no=307, id=1616, vol=2.640442e+05
    or (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   42 and name  HB2)
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   43 and name  HD2) 3.091 1.194 1.194 weight 1.000 ! spec=15N_..._new, no=311, id=1620, vol=6.540658e+05
    or (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   43 and name  HD1)
    or (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   47 and name  HD2)
    or (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   47 and name  HD1)
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   46 and name  HB2) 3.226 1.301 1.301 weight 1.000 ! spec=15N_..._new, no=314, id=1623, vol=5.706002e+05
    or (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   46 and name  HB1)
assign (segid "   A" and resid   47 and name  HB1) (segid "   A" and resid   47 and name   HN) 2.462 0.757 0.757 weight 1.000 ! spec=15N_..._new, no=323, id=1632, vol=2.179439e+06
    or (segid "   A" and resid   47 and name  HB2) (segid "   A" and resid   47 and name   HN)
assign (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   47 and name  HB2) 3.528 1.556 1.556 weight 1.000 ! spec=15N_..._new, no=329, id=1638, vol=2.290745e+05
    or (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   47 and name  HB1)
assign (segid "   A" and resid   49 and name   HA) (segid "   A" and resid   49 and name   HN) 2.679 0.897 0.897 weight 1.000 ! spec=15N_..._new, no=333, id=1642, vol=1.390538e+06
    or (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   48 and name   HA)
assign (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   47 and name  HB1) 3.125 1.221 1.221 weight 1.000 ! spec=15N_..._new, no=338, id=1646, vol=5.497448e+05
    or (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   47 and name  HB2)
assign (segid "   A" and resid   52 and name   HN) (segid "   A" and resid    2 and name HG13) 3.624 1.642 1.642 weight 1.000 ! spec=15N_..._new, no=360, id=1667, vol=2.285810e+05
    or (segid "   A" and resid   52 and name   HN) (segid "   A" and resid    2 and name HG12)
    or (segid "   A" and resid   52 and name   HN) (segid "   A" and resid    2 and name HG11)
    or (segid "   A" and resid   52 and name   HN) (segid "   A" and resid   22 and name HG23)
    or (segid "   A" and resid   52 and name   HN) (segid "   A" and resid   22 and name HG21)
    or (segid "   A" and resid   52 and name   HN) (segid "   A" and resid   22 and name HG22)
assign (segid "   A" and resid   52 and name   HN) (segid "   A" and resid   53 and name   HN) 2.990 1.117 1.117 weight 1.000 ! spec=15N_..._new, no=370, id=1677, vol=8.347427e+05
    or (segid "   A" and resid   53 and name   HN) (segid "   A" and resid   24 and name   HN)
    or (segid "   A" and resid   53 and name   HN) (segid "   A" and resid   22 and name   HN)
assign (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   59 and name  HG1) 3.430 1.471 1.471 weight 1.000 ! spec=15N_..._new, no=406, id=1713, vol=2.139617e+05
    or (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   59 and name  HG2)
assign (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   63 and name   HN) 3.412 1.456 1.456 weight 1.000 ! spec=15N_..._new, no=431, id=1738, vol=3.074608e+05
    or (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   64 and name   HN)
assign (segid "   A" and resid   66 and name   HN) (segid "   A" and resid   62 and name   HA) 3.288 1.352 1.352 weight 1.000 ! spec=15N_..._new, no=474, id=1781, vol=6.723358e+05
    or (segid "   A" and resid   86 and name   HN) (segid "   A" and resid   87 and name   HA)
assign (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   69 and name HG21) 3.152 1.242 1.242 weight 1.000 ! spec=15N_..._new, no=494, id=1801, vol=4.976376e+05
    or (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   69 and name HG22)
    or (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   69 and name HG23)
    or (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   63 and name HG21)
    or (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   63 and name HG23)
    or (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   63 and name HG22)
assign (segid "   A" and resid   74 and name HG21) (segid "   A" and resid   75 and name   HN) 2.568 0.824 0.824 weight 1.000 ! spec=15N_..._new, no=528, id=1834, vol=2.042844e+06
    or (segid "   A" and resid   74 and name HG22) (segid "   A" and resid   75 and name   HN)
    or (segid "   A" and resid   74 and name HG23) (segid "   A" and resid   75 and name   HN)
    or (segid "   A" and resid   75 and name   HN) (segid "   A" and resid   75 and name HD22)
    or (segid "   A" and resid   75 and name   HN) (segid "   A" and resid   75 and name HD21)
    or (segid "   A" and resid   75 and name   HN) (segid "   A" and resid   75 and name HD23)
assign (segid "   A" and resid   77 and name  HB2) (segid "   A" and resid   77 and name   HN) 2.291 0.656 0.656 weight 1.000 ! spec=15N_..._new, no=532, id=1838, vol=3.631641e+06
    or (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   85 and name  HB1)
    or (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   85 and name  HB2)
    or (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   85 and name  HB3)
assign (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   76 and name   HN) 3.076 1.183 1.183 weight 1.000 ! spec=15N_..._new, no=539, id=1845, vol=6.002237e+05
    or (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   84 and name   HN)
assign (segid "   A" and resid   84 and name   HN) (segid "   A" and resid   85 and name  HB1) 3.043 1.158 1.158 weight 1.000 ! spec=15N_..._new, no=608, id=1910, vol=5.874281e+05
    or (segid "   A" and resid   84 and name   HN) (segid "   A" and resid   85 and name  HB2)
    or (segid "   A" and resid   84 and name   HN) (segid "   A" and resid   85 and name  HB3)
    or (segid "   A" and resid   84 and name   HN) (segid "   A" and resid   77 and name  HB2)
assign (segid "   A" and resid   84 and name   HA) (segid "   A" and resid   85 and name   HN) 2.447 0.749 0.749 weight 1.000 ! spec=15N_..._new, no=617, id=1919, vol=2.223502e+06
    or (segid "   A" and resid   85 and name   HA) (segid "   A" and resid   85 and name   HN)
assign (segid "   A" and resid   66 and name   HN) (segid "   A" and resid   63 and name   HN) 3.002 1.126 1.126 weight 1.000 ! spec=15N_..._new, no=622, id=1924, vol=8.344494e+05
    or (segid "   A" and resid   66 and name   HN) (segid "   A" and resid   64 and name   HN)
assign (segid "   A" and resid   36 and name   HB) (segid "   A" and resid   91 and name   HN) 3.343 1.397 1.397 weight 1.000 ! spec=15N_..._new, no=662, id=1962, vol=2.849012e+05
    or (segid "   A" and resid   91 and name   HN) (segid "   A" and resid   92 and name  HG2)
assign (segid "   A" and resid   91 and name   HN) (segid "   A" and resid   36 and name HG21) 2.522 0.795 0.795 weight 1.000 ! spec=15N_..._new, no=664, id=1964, vol=1.913372e+06
    or (segid "   A" and resid   91 and name   HN) (segid "   A" and resid   36 and name HG23)
    or (segid "   A" and resid   91 and name   HN) (segid "   A" and resid   36 and name HG22)
    or (segid "   A" and resid   91 and name   HN) (segid "   A" and resid   87 and name HG12)
    or (segid "   A" and resid   91 and name   HN) (segid "   A" and resid   87 and name HG11)
    or (segid "   A" and resid   91 and name   HN) (segid "   A" and resid   87 and name HG13)
assign (segid "   A" and resid   94 and name   HA) (segid "   A" and resid   94 and name   HN) 2.375 0.705 0.705 weight 1.000 ! spec=15N_..._new, no=670, id=1969, vol=2.693306e+06
    or (segid "   A" and resid   93 and name   HA) (segid "   A" and resid   94 and name   HN)
assign (segid "   A" and resid   93 and name  HB3) (segid "   A" and resid   94 and name   HN) 2.009 0.504 0.504 weight 1.000 ! spec=15N_..._new, no=672, id=1971, vol=7.445917e+06
    or (segid "   A" and resid   93 and name  HB1) (segid "   A" and resid   94 and name   HN)
    or (segid "   A" and resid   93 and name  HB2) (segid "   A" and resid   94 and name   HN)
    or (segid "   A" and resid   94 and name  HB1) (segid "   A" and resid   94 and name   HN)
    or (segid "   A" and resid   94 and name  HB3) (segid "   A" and resid   94 and name   HN)
    or (segid "   A" and resid   94 and name  HB2) (segid "   A" and resid   94 and name   HN)
assign (segid "   A" and resid   95 and name   HN) (segid "   A" and resid   92 and name   HA) 2.898 1.050 1.050 weight 1.000 ! spec=15N_..._new, no=677, id=1976, vol=9.816899e+05
    or (segid "   A" and resid   95 and name   HN) (segid "   A" and resid   93 and name   HA)
    or (segid "   A" and resid   94 and name   HA) (segid "   A" and resid   95 and name   HN)
assign (segid "   A" and resid   96 and name   HN) (segid "   A" and resid   97 and name   HN) 2.280 0.650 0.650 weight 1.000 ! spec=15N_..._new, no=687, id=1986, vol=3.924479e+06
    or (segid "   A" and resid   95 and name   HN) (segid "   A" and resid   96 and name   HN)
assign (segid "   A" and resid  100 and name  HB2) (segid "   A" and resid  101 and name   HN) 2.053 0.527 0.527 weight 1.000 ! spec=15N_..._new, no=698, id=1997, vol=7.555094e+06
    or (segid "   A" and resid  100 and name  HB1) (segid "   A" and resid  101 and name   HN)
    or (segid "   A" and resid  100 and name  HB3) (segid "   A" and resid  101 and name   HN)
    or (segid "   A" and resid  101 and name  HB2) (segid "   A" and resid  101 and name   HN)
    or (segid "   A" and resid  101 and name  HB1) (segid "   A" and resid  101 and name   HN)
    or (segid "   A" and resid  101 and name  HB3) (segid "   A" and resid  101 and name   HN)
assign (segid "   A" and resid  101 and name   HN) (segid "   A" and resid   98 and name  HB1) 2.915 1.062 1.062 weight 1.000 ! spec=15N_..._new, no=699, id=1998, vol=7.840914e+05
    or (segid "   A" and resid  101 and name   HN) (segid "   A" and resid   98 and name  HB3)
    or (segid "   A" and resid  101 and name   HN) (segid "   A" and resid   98 and name  HB2)
    or (segid "   A" and resid   98 and name  HB1) (segid "   A" and resid   97 and name   HN)
    or (segid "   A" and resid   98 and name  HB3) (segid "   A" and resid   97 and name   HN)
    or (segid "   A" and resid   98 and name  HB2) (segid "   A" and resid   97 and name   HN)
    or (segid "   A" and resid   97 and name   HN) (segid "   A" and resid   96 and name  HG1)
assign (segid "   A" and resid   99 and name   HN) (segid "   A" and resid   98 and name   HN) 2.156 0.581 0.581 weight 1.000 ! spec=15N_..._new, no=702, id=2001, vol=5.139569e+06
    or (segid "   A" and resid   97 and name   HN) (segid "   A" and resid   98 and name   HN)
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   42 and name  HD1) 3.184 1.267 1.267 weight 1.000 ! spec=15N_..._new, no=708, id=2007, vol=4.870835e+05
    or (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   42 and name  HD2)
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   11 and name   HN) 2.369 0.701 0.701 weight 1.000 ! spec=15N_..._new, no=720, id=2019, vol=2.754994e+06
    or (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   11 and name  HD1)
    or (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   11 and name  HD2)
assign (segid "   A" and resid   99 and name   HN) (segid "   A" and resid  100 and name   HN) 2.215 0.613 0.613 weight 1.000 ! spec=15N_..._new, no=723, id=2022, vol=4.246442e+06
    or (segid "   A" and resid  100 and name   HN) (segid "   A" and resid  101 and name   HN)
assign (segid "   A" and resid  101 and name   HN) (segid "   A" and resid   99 and name HG21) 3.694 1.706 1.706 weight 1.000 ! spec=15N_..._new, no=736, id=2035, vol=1.830190e+05
    or (segid "   A" and resid  101 and name   HN) (segid "   A" and resid   99 and name HG22)
    or (segid "   A" and resid  101 and name   HN) (segid "   A" and resid   99 and name HG23)
    or (segid "   A" and resid  101 and name   HN) (segid "   A" and resid   77 and name HD13)
    or (segid "   A" and resid  101 and name   HN) (segid "   A" and resid   77 and name HD11)
    or (segid "   A" and resid  101 and name   HN) (segid "   A" and resid   77 and name HD12)
assign (segid "   A" and resid  103 and name   HN) (segid "   A" and resid  102 and name HD22) 3.348 1.401 1.401 weight 1.000 ! spec=15N_..._new, no=747, id=2046, vol=2.523973e+05
    or (segid "   A" and resid  103 and name   HN) (segid "   A" and resid  100 and name   HN)
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   76 and name   HA) 3.613 1.632 1.632 weight 1.000 ! spec=15N_..._new, no=771, id=2070, vol=1.897380e+05
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   24 and name   HA)
assign (segid "   A" and resid   49 and name HE22) (segid "   A" and resid   49 and name  HG1) 2.813 0.989 0.989 weight 1.000 ! spec=15N_..._new, no=812, id=2109, vol=1.000306e+06
    or (segid "   A" and resid   49 and name HE22) (segid "   A" and resid   49 and name  HG2)
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   32 and name  HB2) 3.670 1.683 1.683 weight 1.000 ! spec=15N_..._new, no=845, id=2141, vol=1.603838e+05
    or (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   32 and name  HB1)
assign (segid "   A" and resid   53 and name  HE1) (segid "   A" and resid    3 and name HG21) 2.156 0.581 0.581 weight 1.000 ! spec=Arom..._new, no=85, id=2146, vol=9.700247e+05
    or (segid "   A" and resid   53 and name  HE1) (segid "   A" and resid    3 and name HG23)
    or (segid "   A" and resid   53 and name  HE1) (segid "   A" and resid    3 and name HG22)
    or (segid "   A" and resid   53 and name  HE2) (segid "   A" and resid    3 and name HG21)
    or (segid "   A" and resid   53 and name  HE2) (segid "   A" and resid    3 and name HG23)
    or (segid "   A" and resid   53 and name  HE2) (segid "   A" and resid    3 and name HG22)
    or (segid "   A" and resid   53 and name  HE1) (segid "   A" and resid   14 and name  HB1)
    or (segid "   A" and resid   53 and name  HE1) (segid "   A" and resid   14 and name  HB2)
    or (segid "   A" and resid   53 and name  HE1) (segid "   A" and resid   14 and name  HB3)
    or (segid "   A" and resid   53 and name  HE2) (segid "   A" and resid   14 and name  HB1)
    or (segid "   A" and resid   53 and name  HE2) (segid "   A" and resid   14 and name  HB2)
    or (segid "   A" and resid   53 and name  HE2) (segid "   A" and resid   14 and name  HB3)
assign (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid    5 and name  HE2) 2.201 0.606 0.606 weight 1.000 ! spec=Arom..._new, no=128, id=2163, vol=1.212950e+06
    or (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid    5 and name  HE1)
    or (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid    5 and name  HE2)
    or (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid    5 and name  HE1)
    or (segid "   A" and resid   14 and name  HB3) (segid "   A" and resid    5 and name  HE2)
    or (segid "   A" and resid   14 and name  HB3) (segid "   A" and resid    5 and name  HE1)
    or (segid "   A" and resid    5 and name  HE2) (segid "   A" and resid   23 and name HG21)
    or (segid "   A" and resid    5 and name  HE2) (segid "   A" and resid   23 and name HG23)
    or (segid "   A" and resid    5 and name  HE2) (segid "   A" and resid   23 and name HG22)
    or (segid "   A" and resid    5 and name  HE1) (segid "   A" and resid   23 and name HG21)
    or (segid "   A" and resid    5 and name  HE1) (segid "   A" and resid   23 and name HG23)
    or (segid "   A" and resid    5 and name  HE1) (segid "   A" and resid   23 and name HG22)

!Unambig_Restraints Oxidized D24A Mutant 

assign (segid "   A" and resid    1 and name  HB1) (segid "   A" and resid    1 and name   HA) 2.481 0.769 0.769 weight 1.000 ! spec=13C_..._new, no=5, id=3, vol=1.224103e+06
assign (segid "   A" and resid    1 and name  HG1) (segid "   A" and resid    1 and name  HB1) 2.607 0.850 0.850 weight 1.000 ! spec=13C_..._new, no=7, id=5, vol=1.192832e+06
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   16 and name  HB2) 2.420 0.732 0.732 weight 1.000 ! spec=13C_..._new, no=8, id=6, vol=1.817746e+06
    or (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   16 and name  HB1)
    or (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   16 and name  HB3)
assign (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    2 and name HG23) 2.259 0.638 0.638 weight 1.000 ! spec=13C_..._new, no=9, id=7, vol=2.658728e+06
    or (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    2 and name HG21)
    or (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    2 and name HG22)
assign (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    3 and name   HN) 2.110 0.557 0.557 weight 1.000 ! spec=13C_..._new, no=11, id=9, vol=4.028113e+06
assign (segid "   A" and resid    2 and name   HA) (segid "   A" and resid   52 and name  HB1) 2.697 0.909 0.909 weight 1.000 ! spec=13C_..._new, no=13, id=11, vol=8.511033e+05
assign (segid "   A" and resid    2 and name   HB) (segid "   A" and resid   44 and name  HB2) 2.491 0.776 0.776 weight 1.000 ! spec=13C_..._new, no=16, id=14, vol=1.465149e+06
assign (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    2 and name   HB) 2.988 1.116 1.116 weight 1.000 ! spec=13C_..._new, no=17, id=15, vol=5.501909e+05
assign (segid "   A" and resid    2 and name   HB) (segid "   A" and resid    2 and name HG23) 2.082 0.542 0.542 weight 1.000 ! spec=13C_..._new, no=19, id=17, vol=4.034467e+06
    or (segid "   A" and resid    2 and name   HB) (segid "   A" and resid    2 and name HG21)
    or (segid "   A" and resid    2 and name   HB) (segid "   A" and resid    2 and name HG22)
assign (segid "   A" and resid    2 and name HG23) (segid "   A" and resid   54 and name   HN) 2.720 0.925 0.925 weight 1.000 ! spec=13C_..._new, no=21, id=19, vol=6.348579e+05
    or (segid "   A" and resid    2 and name HG21) (segid "   A" and resid   54 and name   HN)
    or (segid "   A" and resid    2 and name HG22) (segid "   A" and resid   54 and name   HN)
assign (segid "   A" and resid    2 and name HG23) (segid "   A" and resid    3 and name   HN) 2.523 0.796 0.796 weight 1.000 ! spec=13C_..._new, no=22, id=20, vol=1.119619e+06
    or (segid "   A" and resid    2 and name HG21) (segid "   A" and resid    3 and name   HN)
    or (segid "   A" and resid    2 and name HG22) (segid "   A" and resid    3 and name   HN)
assign (segid "   A" and resid    2 and name HG23) (segid "   A" and resid   53 and name   HA) 2.459 0.756 0.756 weight 1.000 ! spec=13C_..._new, no=23, id=21, vol=1.407986e+06
    or (segid "   A" and resid    2 and name HG21) (segid "   A" and resid   53 and name   HA)
    or (segid "   A" and resid    2 and name HG22) (segid "   A" and resid   53 and name   HA)
assign (segid "   A" and resid    2 and name HG23) (segid "   A" and resid   52 and name  HB1) 2.625 0.861 0.861 weight 1.000 ! spec=13C_..._new, no=24, id=22, vol=1.026307e+06
    or (segid "   A" and resid    2 and name HG21) (segid "   A" and resid   52 and name  HB1)
    or (segid "   A" and resid    2 and name HG22) (segid "   A" and resid   52 and name  HB1)
assign (segid "   A" and resid    2 and name HG13) (segid "   A" and resid   52 and name  HB1) 2.373 0.704 0.704 weight 1.000 ! spec=13C_..._new, no=25, id=23, vol=1.174061e+06
    or (segid "   A" and resid    2 and name HG12) (segid "   A" and resid   52 and name  HB1)
    or (segid "   A" and resid    2 and name HG11) (segid "   A" and resid   52 and name  HB1)
assign (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    2 and name HG13) 2.306 0.665 0.665 weight 1.000 ! spec=13C_..._new, no=26, id=24, vol=2.143084e+06
    or (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    2 and name HG12)
    or (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    2 and name HG11)
assign (segid "   A" and resid    3 and name   HB) (segid "   A" and resid    3 and name   HN) 2.416 0.730 0.730 weight 1.000 ! spec=13C_..._new, no=35, id=30, vol=1.890082e+06
assign (segid "   A" and resid    3 and name   HB) (segid "   A" and resid   53 and name  HD1) 2.531 0.801 0.801 weight 1.000 ! spec=13C_..._new, no=36, id=31, vol=1.468410e+06
    or (segid "   A" and resid    3 and name   HB) (segid "   A" and resid   53 and name  HD2)
assign (segid "   A" and resid    3 and name   HB) (segid "   A" and resid    3 and name   HA) 2.689 0.904 0.904 weight 1.000 ! spec=13C_..._new, no=38, id=33, vol=9.200616e+05
assign (segid "   A" and resid    3 and name HG21) (segid "   A" and resid    4 and name   HN) 2.309 0.666 0.666 weight 1.000 ! spec=13C_..._new, no=40, id=35, vol=1.751780e+06
    or (segid "   A" and resid    3 and name HG23) (segid "   A" and resid    4 and name   HN)
    or (segid "   A" and resid    3 and name HG22) (segid "   A" and resid    4 and name   HN)
assign (segid "   A" and resid    3 and name HG21) (segid "   A" and resid    3 and name   HN) 2.551 0.813 0.813 weight 1.000 ! spec=13C_..._new, no=41, id=36, vol=1.195224e+06
    or (segid "   A" and resid    3 and name HG23) (segid "   A" and resid    3 and name   HN)
    or (segid "   A" and resid    3 and name HG22) (segid "   A" and resid    3 and name   HN)
assign (segid "   A" and resid    3 and name HG21) (segid "   A" and resid    3 and name   HA) 2.239 0.626 0.626 weight 1.000 ! spec=13C_..._new, no=43, id=38, vol=1.975885e+06
    or (segid "   A" and resid    3 and name HG23) (segid "   A" and resid    3 and name   HA)
    or (segid "   A" and resid    3 and name HG22) (segid "   A" and resid    3 and name   HA)
assign (segid "   A" and resid    3 and name   HB) (segid "   A" and resid    3 and name HG21) 2.064 0.533 0.533 weight 1.000 ! spec=13C_..._new, no=44, id=39, vol=3.536234e+06
    or (segid "   A" and resid    3 and name   HB) (segid "   A" and resid    3 and name HG23)
    or (segid "   A" and resid    3 and name   HB) (segid "   A" and resid    3 and name HG22)
assign (segid "   A" and resid    3 and name HG21) (segid "   A" and resid   53 and name  HB2) 2.024 0.512 0.512 weight 1.000 ! spec=13C_..._new, no=45, id=40, vol=4.105199e+06
    or (segid "   A" and resid    3 and name HG23) (segid "   A" and resid   53 and name  HB2)
    or (segid "   A" and resid    3 and name HG22) (segid "   A" and resid   53 and name  HB2)
assign (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    5 and name   HN) 2.772 0.960 0.960 weight 1.000 ! spec=13C_..._new, no=51, id=45, vol=4.972282e+05
assign (segid "   A" and resid    5 and name  HB2) (segid "   A" and resid    5 and name  HB1) 2.193 0.601 0.601 weight 1.000 ! spec=13C_..._new, no=55, id=49, vol=3.699376e+06
assign (segid "   A" and resid    5 and name  HB1) (segid "   A" and resid    5 and name  HD2) 2.868 1.028 1.028 weight 1.000 ! spec=13C_..._new, no=58, id=52, vol=7.475152e+05
    or (segid "   A" and resid    5 and name  HB1) (segid "   A" and resid    5 and name  HD1)
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid   60 and name HD13) 2.867 1.027 1.027 weight 1.000 ! spec=13C_..._new, no=60, id=54, vol=6.066841e+05
    or (segid "   A" and resid    6 and name   HA) (segid "   A" and resid   60 and name HD11)
    or (segid "   A" and resid    6 and name   HA) (segid "   A" and resid   60 and name HD12)
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    7 and name   HN) 2.913 1.060 1.060 weight 1.000 ! spec=13C_..._new, no=65, id=58, vol=4.680369e+05
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name   HN) 2.646 0.875 0.875 weight 1.000 ! spec=13C_..._new, no=66, id=59, vol=9.962892e+05
assign (segid "   A" and resid    6 and name  HB2) (segid "   A" and resid    6 and name   HN) 2.761 0.953 0.953 weight 1.000 ! spec=13C_..._new, no=67, id=60, vol=7.370731e+05
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name  HB2) 2.728 0.930 0.930 weight 1.000 ! spec=13C_..._new, no=68, id=61, vol=9.454326e+05
assign (segid "   A" and resid    6 and name  HB1) (segid "   A" and resid    6 and name   HN) 2.873 1.032 1.032 weight 1.000 ! spec=13C_..._new, no=70, id=63, vol=5.364401e+05
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name  HB1) 2.455 0.753 0.753 weight 1.000 ! spec=13C_..._new, no=71, id=64, vol=1.553202e+06
assign (segid "   A" and resid    6 and name  HD1) (segid "   A" and resid    6 and name  HE2) 2.091 0.547 0.547 weight 1.000 ! spec=13C_..._new, no=73, id=66, vol=3.536232e+06
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name  HG2) 2.710 0.918 0.918 weight 1.000 ! spec=13C_..._new, no=77, id=67, vol=6.771903e+05
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name HG23) 2.595 0.842 0.842 weight 1.000 ! spec=13C_..._new, no=81, id=71, vol=1.189015e+06
    or (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name HG22)
    or (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name HG21)
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid   10 and name   HN) 2.903 1.053 1.053 weight 1.000 ! spec=13C_..._new, no=82, id=72, vol=5.135499e+05
assign (segid "   A" and resid    7 and name   HB) (segid "   A" and resid    8 and name   HN) 2.286 0.653 0.653 weight 1.000 ! spec=13C_..._new, no=84, id=74, vol=2.571344e+06
assign (segid "   A" and resid    7 and name   HB) (segid "   A" and resid    9 and name   HN) 2.992 1.119 1.119 weight 1.000 ! spec=13C_..._new, no=85, id=75, vol=3.276754e+05
assign (segid "   A" and resid    7 and name   HB) (segid "   A" and resid    7 and name   HA) 1.956 0.478 0.478 weight 1.000 ! spec=13C_..._new, no=86, id=76, vol=6.672164e+06
assign (segid "   A" and resid    7 and name   HB) (segid "   A" and resid    7 and name HG23) 2.104 0.553 0.553 weight 1.000 ! spec=13C_..._new, no=88, id=78, vol=4.257375e+06
    or (segid "   A" and resid    7 and name   HB) (segid "   A" and resid    7 and name HG22)
    or (segid "   A" and resid    7 and name   HB) (segid "   A" and resid    7 and name HG21)
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    8 and name   HN) 2.557 0.817 0.817 weight 1.000 ! spec=13C_..._new, no=89, id=79, vol=1.275585e+06
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid   11 and name  HD1) 2.531 0.801 0.801 weight 1.000 ! spec=13C_..._new, no=92, id=82, vol=1.137324e+06
    or (segid "   A" and resid    8 and name   HA) (segid "   A" and resid   11 and name  HD2)
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid   11 and name  HB1) 2.453 0.752 0.752 weight 1.000 ! spec=13C_..._new, no=94, id=83, vol=1.522927e+06
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    8 and name  HB1) 1.760 0.387 0.387 weight 1.000 ! spec=13C_..._new, no=95, id=84, vol=1.247768e+07
    or (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    8 and name  HB2)
    or (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    8 and name  HB3)
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid   63 and name HG12) 2.148 0.577 0.577 weight 1.000 ! spec=13C_..._new, no=96, id=85, vol=3.590220e+06
    or (segid "   A" and resid    8 and name   HA) (segid "   A" and resid   63 and name HG11)
    or (segid "   A" and resid    8 and name   HA) (segid "   A" and resid   63 and name HG13)
assign (segid "   A" and resid  100 and name   HA) (segid "   A" and resid   99 and name HD13) 2.673 0.893 0.893 weight 1.000 ! spec=13C_..._new, no=97, id=86, vol=8.556576e+05
    or (segid "   A" and resid  100 and name   HA) (segid "   A" and resid   99 and name HD11)
    or (segid "   A" and resid  100 and name   HA) (segid "   A" and resid   99 and name HD12)
assign (segid "   A" and resid    8 and name  HB1) (segid "   A" and resid    8 and name   HN) 2.103 0.553 0.553 weight 1.000 ! spec=13C_..._new, no=98, id=87, vol=3.676358e+06
    or (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid    8 and name   HN)
    or (segid "   A" and resid    8 and name  HB3) (segid "   A" and resid    8 and name   HN)
assign (segid "   A" and resid    9 and name   HA) (segid "   A" and resid   12 and name  HB2) 2.309 0.666 0.666 weight 1.000 ! spec=13C_..._new, no=101, id=90, vol=2.232444e+06
assign (segid "   A" and resid    9 and name   HA) (segid "   A" and resid    8 and name  HB1) 2.950 1.088 1.088 weight 1.000 ! spec=13C_..._new, no=102, id=91, vol=2.323962e+05
    or (segid "   A" and resid    9 and name   HA) (segid "   A" and resid    8 and name  HB2)
    or (segid "   A" and resid    9 and name   HA) (segid "   A" and resid    8 and name  HB3)
assign (segid "   A" and resid    9 and name   HA) (segid "   A" and resid   10 and name   HN) 2.662 0.886 0.886 weight 1.000 ! spec=13C_..._new, no=104, id=93, vol=9.334020e+05
assign (segid "   A" and resid    9 and name   HA) (segid "   A" and resid    9 and name   HN) 2.857 1.020 1.020 weight 1.000 ! spec=13C_..._new, no=105, id=94, vol=4.318798e+05
assign (segid "   A" and resid    9 and name  HB2) (segid "   A" and resid    9 and name   HN) 2.897 1.049 1.049 weight 1.000 ! spec=13C_..._new, no=106, id=95, vol=4.229828e+05
assign (segid "   A" and resid    9 and name  HB2) (segid "   A" and resid   10 and name   HN) 2.884 1.040 1.040 weight 1.000 ! spec=13C_..._new, no=107, id=96, vol=6.038271e+05
assign (segid "   A" and resid   39 and name  HB1) (segid "   A" and resid   39 and name   HN) 2.980 1.110 1.110 weight 1.000 ! spec=13C_..._new, no=110, id=99, vol=5.898995e+05
assign (segid "   A" and resid   57 and name   HB) (segid "   A" and resid   57 and name   HN) 3.018 1.138 1.138 weight 1.000 ! spec=13C_..._new, no=113, id=102, vol=5.888999e+05
assign (segid "   A" and resid   48 and name  HB1) (segid "   A" and resid   48 and name   HA) 2.415 0.729 0.729 weight 1.000 ! spec=13C_..._new, no=114, id=103, vol=1.864065e+06
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   11 and name  HB2) 2.203 0.607 0.607 weight 1.000 ! spec=13C_..._new, no=118, id=107, vol=3.235052e+06
assign (segid "   A" and resid   47 and name  HB2) (segid "   A" and resid   47 and name   HA) 3.073 1.180 1.180 weight 1.000 ! spec=13C_..._new, no=123, id=112, vol=4.395571e+05
assign (segid "   A" and resid   47 and name  HB2) (segid "   A" and resid   47 and name  HD2) 2.730 0.931 0.931 weight 1.000 ! spec=13C_..._new, no=125, id=114, vol=9.021201e+05
    or (segid "   A" and resid   47 and name  HB2) (segid "   A" and resid   47 and name  HD1)
assign (segid "   A" and resid   47 and name  HB2) (segid "   A" and resid   47 and name   HN) 2.992 1.119 1.119 weight 1.000 ! spec=13C_..._new, no=126, id=115, vol=4.938316e+05
assign (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   12 and name   HN) 2.911 1.059 1.059 weight 1.000 ! spec=13C_..._new, no=128, id=117, vol=5.060208e+05
assign (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   11 and name  HD1) 2.371 0.702 0.702 weight 1.000 ! spec=13C_..._new, no=129, id=118, vol=2.054230e+06
    or (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   11 and name  HD2)
assign (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid   11 and name  HB2) 2.033 0.517 0.517 weight 1.000 ! spec=13C_..._new, no=130, id=119, vol=5.196167e+06
assign (segid "   A" and resid   83 and name   HA) (segid "   A" and resid   83 and name   HN) 2.463 0.758 0.758 weight 1.000 ! spec=13C_..._new, no=131, id=120, vol=1.520300e+06
assign (segid "   A" and resid   68 and name   HA) (segid "   A" and resid   68 and name   HN) 1.894 0.448 0.448 weight 1.000 ! spec=13C_..._new, no=132, id=121, vol=7.869592e+06
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   11 and name  HD1) 2.497 0.779 0.779 weight 1.000 ! spec=13C_..._new, no=133, id=122, vol=1.530622e+06
    or (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   11 and name  HD2)
assign (segid "   A" and resid   83 and name   HA) (segid "   A" and resid   78 and name   HA) 2.258 0.637 0.637 weight 1.000 ! spec=13C_..._new, no=134, id=123, vol=2.738909e+06
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   15 and name HD12) 2.619 0.857 0.857 weight 1.000 ! spec=13C_..._new, no=136, id=125, vol=8.513404e+05
    or (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   15 and name HD11)
    or (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   15 and name HD13)
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   12 and name  HB1) 2.612 0.853 0.853 weight 1.000 ! spec=13C_..._new, no=138, id=127, vol=1.203604e+06
assign (segid "   A" and resid   12 and name  HB1) (segid "   A" and resid   12 and name   HN) 2.548 0.811 0.811 weight 1.000 ! spec=13C_..._new, no=141, id=130, vol=1.376496e+06
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   13 and name   HN) 2.273 0.646 0.646 weight 1.000 ! spec=13C_..._new, no=143, id=132, vol=2.592023e+06
assign (segid "   A" and resid   13 and name  HB2) (segid "   A" and resid   13 and name  HB1) 2.071 0.536 0.536 weight 1.000 ! spec=13C_..._new, no=144, id=133, vol=4.633632e+06
assign (segid "   A" and resid   93 and name   HA) (segid "   A" and resid   93 and name  HB3) 1.852 0.429 0.429 weight 1.000 ! spec=13C_..._new, no=148, id=135, vol=1.024661e+07
    or (segid "   A" and resid   93 and name   HA) (segid "   A" and resid   93 and name  HB1)
    or (segid "   A" and resid   93 and name   HA) (segid "   A" and resid   93 and name  HB2)
assign (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   14 and name   HN) 2.059 0.530 0.530 weight 1.000 ! spec=13C_..._new, no=151, id=137, vol=4.139763e+06
    or (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   14 and name   HN)
    or (segid "   A" and resid   14 and name  HB3) (segid "   A" and resid   14 and name   HN)
assign (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid    5 and name  HE2) 2.128 0.566 0.566 weight 1.000 ! spec=13C_..._new, no=153, id=139, vol=3.294195e+06
    or (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid    5 and name  HE1)
    or (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid    5 and name  HE2)
    or (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid    5 and name  HE1)
    or (segid "   A" and resid   14 and name  HB3) (segid "   A" and resid    5 and name  HE2)
    or (segid "   A" and resid   14 and name  HB3) (segid "   A" and resid    5 and name  HE1)
assign (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   14 and name   HA) 2.030 0.515 0.515 weight 1.000 ! spec=13C_..._new, no=154, id=140, vol=4.449012e+06
    or (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   14 and name   HA)
    or (segid "   A" and resid   14 and name  HB3) (segid "   A" and resid   14 and name   HA)
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   14 and name  HB1) 2.505 0.784 0.784 weight 1.000 ! spec=13C_..._new, no=156, id=142, vol=1.186339e+06
    or (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   14 and name  HB2)
    or (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   14 and name  HB3)
assign (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   21 and name   HB) 2.658 0.883 0.883 weight 1.000 ! spec=13C_..._new, no=157, id=143, vol=4.508345e+05
    or (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   21 and name   HB)
    or (segid "   A" and resid   14 and name  HB3) (segid "   A" and resid   21 and name   HB)
assign (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   15 and name HG21) 2.689 0.904 0.904 weight 1.000 ! spec=13C_..._new, no=158, id=144, vol=8.312601e+05
    or (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   15 and name HG23)
    or (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   15 and name HG22)
    or (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   15 and name HG21)
    or (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   15 and name HG23)
    or (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   15 and name HG22)
    or (segid "   A" and resid   14 and name  HB3) (segid "   A" and resid   15 and name HG21)
    or (segid "   A" and resid   14 and name  HB3) (segid "   A" and resid   15 and name HG23)
    or (segid "   A" and resid   14 and name  HB3) (segid "   A" and resid   15 and name HG22)
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name HG21) 2.150 0.578 0.578 weight 1.000 ! spec=13C_..._new, no=159, id=145, vol=3.715481e+06
    or (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name HG23)
    or (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name HG22)
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name HD12) 2.990 1.117 1.117 weight 1.000 ! spec=13C_..._new, no=160, id=146, vol=4.523737e+05
    or (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name HD11)
    or (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name HD13)
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name   HB) 2.000 0.500 0.500 weight 1.000 ! spec=13C_..._new, no=161, id=147, vol=6.022815e+06
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   78 and name  HB2) 2.867 1.027 1.027 weight 1.000 ! spec=13C_..._new, no=163, id=149, vol=5.976716e+05
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name   HN) 2.444 0.746 0.746 weight 1.000 ! spec=13C_..._new, no=165, id=151, vol=1.698680e+06
assign (segid "   A" and resid   15 and name   HB) (segid "   A" and resid   15 and name HG21) 2.314 0.669 0.669 weight 1.000 ! spec=13C_..._new, no=166, id=152, vol=2.543992e+06
    or (segid "   A" and resid   15 and name   HB) (segid "   A" and resid   15 and name HG23)
    or (segid "   A" and resid   15 and name   HB) (segid "   A" and resid   15 and name HG22)
assign (segid "   A" and resid   15 and name   HB) (segid "   A" and resid   78 and name  HD2) 3.086 1.190 1.190 weight 1.000 ! spec=13C_..._new, no=170, id=156, vol=4.386041e+05
    or (segid "   A" and resid   15 and name   HB) (segid "   A" and resid   78 and name  HD1)
assign (segid "   A" and resid   15 and name   HB) (segid "   A" and resid   15 and name   HN) 2.963 1.097 1.097 weight 1.000 ! spec=13C_..._new, no=171, id=157, vol=4.766929e+05
assign (segid "   A" and resid   15 and name HD12) (segid "   A" and resid   16 and name  HB2) 2.971 1.103 1.103 weight 1.000 ! spec=13C_..._new, no=176, id=162, vol=1.149584e+05
    or (segid "   A" and resid   15 and name HD12) (segid "   A" and resid   16 and name  HB1)
    or (segid "   A" and resid   15 and name HD12) (segid "   A" and resid   16 and name  HB3)
    or (segid "   A" and resid   15 and name HD11) (segid "   A" and resid   16 and name  HB2)
    or (segid "   A" and resid   15 and name HD11) (segid "   A" and resid   16 and name  HB1)
    or (segid "   A" and resid   15 and name HD11) (segid "   A" and resid   16 and name  HB3)
    or (segid "   A" and resid   15 and name HD13) (segid "   A" and resid   16 and name  HB2)
    or (segid "   A" and resid   15 and name HD13) (segid "   A" and resid   16 and name  HB1)
    or (segid "   A" and resid   15 and name HD13) (segid "   A" and resid   16 and name  HB3)
assign (segid "   A" and resid   15 and name   HB) (segid "   A" and resid   15 and name HD12) 2.174 0.591 0.591 weight 1.000 ! spec=13C_..._new, no=177, id=163, vol=3.179028e+06
    or (segid "   A" and resid   15 and name   HB) (segid "   A" and resid   15 and name HD11)
    or (segid "   A" and resid   15 and name   HB) (segid "   A" and resid   15 and name HD13)
assign (segid "   A" and resid   15 and name HD12) (segid "   A" and resid   15 and name HG21) 2.075 0.538 0.538 weight 1.000 ! spec=13C_..._new, no=179, id=165, vol=3.776787e+06
    or (segid "   A" and resid   15 and name HD12) (segid "   A" and resid   15 and name HG23)
    or (segid "   A" and resid   15 and name HD12) (segid "   A" and resid   15 and name HG22)
    or (segid "   A" and resid   15 and name HD11) (segid "   A" and resid   15 and name HG21)
    or (segid "   A" and resid   15 and name HD11) (segid "   A" and resid   15 and name HG23)
    or (segid "   A" and resid   15 and name HD11) (segid "   A" and resid   15 and name HG22)
    or (segid "   A" and resid   15 and name HD13) (segid "   A" and resid   15 and name HG21)
    or (segid "   A" and resid   15 and name HD13) (segid "   A" and resid   15 and name HG23)
    or (segid "   A" and resid   15 and name HD13) (segid "   A" and resid   15 and name HG22)
assign (segid "   A" and resid   15 and name HG11) (segid "   A" and resid   12 and name   HA) 2.827 0.999 0.999 weight 1.000 ! spec=13C_..._new, no=181, id=167, vol=7.588580e+05
assign (segid "   A" and resid   15 and name   HB) (segid "   A" and resid   15 and name HG11) 2.766 0.956 0.956 weight 1.000 ! spec=13C_..._new, no=182, id=168, vol=7.832186e+05
assign (segid "   A" and resid   15 and name HD12) (segid "   A" and resid   15 and name HG11) 2.486 0.773 0.773 weight 1.000 ! spec=13C_..._new, no=183, id=169, vol=1.498643e+06
    or (segid "   A" and resid   15 and name HD11) (segid "   A" and resid   15 and name HG11)
    or (segid "   A" and resid   15 and name HD13) (segid "   A" and resid   15 and name HG11)
assign (segid "   A" and resid   15 and name HG11) (segid "   A" and resid   15 and name HG21) 2.685 0.901 0.901 weight 1.000 ! spec=13C_..._new, no=184, id=170, vol=9.364611e+05
    or (segid "   A" and resid   15 and name HG11) (segid "   A" and resid   15 and name HG23)
    or (segid "   A" and resid   15 and name HG11) (segid "   A" and resid   15 and name HG22)
assign (segid "   A" and resid   15 and name HD12) (segid "   A" and resid   15 and name HG12) 2.607 0.849 0.849 weight 1.000 ! spec=13C_..._new, no=185, id=171, vol=1.238303e+06
    or (segid "   A" and resid   15 and name HD11) (segid "   A" and resid   15 and name HG12)
    or (segid "   A" and resid   15 and name HD13) (segid "   A" and resid   15 and name HG12)
assign (segid "   A" and resid   15 and name HG21) (segid "   A" and resid   78 and name  HB2) 2.534 0.802 0.802 weight 1.000 ! spec=13C_..._new, no=190, id=175, vol=1.038320e+06
    or (segid "   A" and resid   15 and name HG23) (segid "   A" and resid   78 and name  HB2)
    or (segid "   A" and resid   15 and name HG22) (segid "   A" and resid   78 and name  HB2)
assign (segid "   A" and resid   15 and name HG21) (segid "   A" and resid   21 and name   HB) 2.868 1.028 1.028 weight 1.000 ! spec=13C_..._new, no=191, id=176, vol=4.860251e+05
    or (segid "   A" and resid   15 and name HG23) (segid "   A" and resid   21 and name   HB)
    or (segid "   A" and resid   15 and name HG22) (segid "   A" and resid   21 and name   HB)
assign (segid "   A" and resid   15 and name HG12) (segid "   A" and resid   15 and name HG21) 2.176 0.592 0.592 weight 1.000 ! spec=13C_..._new, no=194, id=179, vol=2.879673e+06
    or (segid "   A" and resid   15 and name HG12) (segid "   A" and resid   15 and name HG23)
    or (segid "   A" and resid   15 and name HG12) (segid "   A" and resid   15 and name HG22)
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   81 and name  HA2) 2.497 0.779 0.779 weight 1.000 ! spec=13C_..._new, no=198, id=183, vol=1.400137e+06
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   80 and name   HA) 2.491 0.775 0.775 weight 1.000 ! spec=13C_..._new, no=200, id=185, vol=1.433734e+06
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   16 and name   HN) 2.380 0.708 0.708 weight 1.000 ! spec=13C_..._new, no=201, id=186, vol=1.979860e+06
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   17 and name   HN) 2.478 0.768 0.768 weight 1.000 ! spec=13C_..._new, no=202, id=187, vol=1.511314e+06
assign (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   17 and name   HN) 2.472 0.764 0.764 weight 1.000 ! spec=13C_..._new, no=205, id=190, vol=1.297031e+06
    or (segid "   A" and resid   16 and name  HB1) (segid "   A" and resid   17 and name   HN)
    or (segid "   A" and resid   16 and name  HB3) (segid "   A" and resid   17 and name   HN)
assign (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   16 and name   HN) 1.931 0.466 0.466 weight 1.000 ! spec=13C_..._new, no=206, id=191, vol=5.687346e+06
    or (segid "   A" and resid   16 and name  HB1) (segid "   A" and resid   16 and name   HN)
    or (segid "   A" and resid   16 and name  HB3) (segid "   A" and resid   16 and name   HN)
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   16 and name  HB2) 1.849 0.427 0.427 weight 1.000 ! spec=13C_..._new, no=207, id=192, vol=7.761245e+06
    or (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   16 and name  HB1)
    or (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   16 and name  HB3)
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   16 and name  HB2) 2.816 0.991 0.991 weight 1.000 ! spec=13C_..._new, no=208, id=193, vol=2.900064e+05
    or (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   16 and name  HB1)
    or (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   16 and name  HB3)
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   17 and name  HG2) 2.144 0.574 0.574 weight 1.000 ! spec=13C_..._new, no=209, id=194, vol=3.945584e+06
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   17 and name  HG1) 2.506 0.785 0.785 weight 1.000 ! spec=13C_..._new, no=211, id=196, vol=1.501058e+06
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   17 and name   HN) 2.439 0.744 0.744 weight 1.000 ! spec=13C_..._new, no=213, id=198, vol=1.729752e+06
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   18 and name   HN) 2.211 0.611 0.611 weight 1.000 ! spec=13C_..._new, no=214, id=199, vol=3.242160e+06
assign (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   17 and name  HG2) 2.332 0.680 0.680 weight 1.000 ! spec=13C_..._new, no=215, id=200, vol=2.568638e+06
assign (segid "   A" and resid   17 and name  HG1) (segid "   A" and resid   14 and name   HA) 3.030 1.148 1.148 weight 1.000 ! spec=13C_..._new, no=219, id=204, vol=4.433103e+05
assign (segid "   A" and resid   17 and name  HG1) (segid "   A" and resid   17 and name  HB1) 2.833 1.003 1.003 weight 1.000 ! spec=13C_..._new, no=221, id=206, vol=7.534169e+05
assign (segid "   A" and resid   17 and name  HG2) (segid "   A" and resid   17 and name   HN) 2.850 1.016 1.016 weight 1.000 ! spec=13C_..._new, no=224, id=209, vol=4.352962e+05
assign (segid "   A" and resid   17 and name  HG1) (segid "   A" and resid   17 and name  HG2) 1.976 0.488 0.488 weight 1.000 ! spec=13C_..._new, no=226, id=211, vol=6.899039e+06
assign (segid "   A" and resid   18 and name  HB2) (segid "   A" and resid   18 and name  HB1) 1.640 0.336 0.336 weight 1.000 ! spec=13C_..._new, no=231, id=215, vol=2.179124e+07
assign (segid "   A" and resid   62 and name  HB2) (segid "   A" and resid   62 and name   HA) 2.325 0.676 0.676 weight 1.000 ! spec=13C_..._new, no=232, id=216, vol=2.343850e+06
assign (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   20 and name   HN) 1.937 0.469 0.469 weight 1.000 ! spec=13C_..._new, no=234, id=218, vol=6.315329e+06
assign (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   19 and name   HN) 2.306 0.665 0.665 weight 1.000 ! spec=13C_..._new, no=235, id=219, vol=2.229035e+06
assign (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   19 and name  HB2) 1.879 0.441 0.441 weight 1.000 ! spec=13C_..._new, no=237, id=220, vol=7.621752e+06
assign (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   19 and name  HE1) 2.690 0.904 0.904 weight 1.000 ! spec=13C_..._new, no=239, id=222, vol=8.566851e+05
assign (segid "   A" and resid   19 and name  HB2) (segid "   A" and resid   19 and name   HN) 2.899 1.051 1.051 weight 1.000 ! spec=13C_..._new, no=241, id=224, vol=5.780126e+05
assign (segid "   A" and resid   19 and name  HB2) (segid "   A" and resid   19 and name  HE1) 2.674 0.893 0.893 weight 1.000 ! spec=13C_..._new, no=243, id=226, vol=1.033986e+06
assign (segid "   A" and resid   19 and name  HG2) (segid "   A" and resid   19 and name   HN) 2.715 0.921 0.921 weight 1.000 ! spec=13C_..._new, no=248, id=231, vol=6.597544e+05
assign (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   25 and name   HN) 2.810 0.987 0.987 weight 1.000 ! spec=13C_..._new, no=250, id=233, vol=7.226520e+05
assign (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   25 and name  HB2) 2.850 1.015 1.015 weight 1.000 ! spec=13C_..._new, no=251, id=234, vol=6.574491e+05
assign (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   57 and name HG23) 2.731 0.932 0.932 weight 1.000 ! spec=13C_..._new, no=252, id=235, vol=9.143264e+05
    or (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   57 and name HG21)
    or (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   57 and name HG22)
assign (segid "   A" and resid   20 and name  HB2) (segid "   A" and resid   20 and name   HN) 2.761 0.953 0.953 weight 1.000 ! spec=13C_..._new, no=254, id=237, vol=9.419099e+05
assign (segid "   A" and resid   20 and name  HB2) (segid "   A" and resid   20 and name   HG) 2.152 0.579 0.579 weight 1.000 ! spec=13C_..._new, no=255, id=238, vol=3.980016e+06
assign (segid "   A" and resid   20 and name  HB2) (segid "   A" and resid   20 and name HD13) 3.055 1.167 1.167 weight 1.000 ! spec=13C_..._new, no=256, id=239, vol=3.992764e+05
    or (segid "   A" and resid   20 and name  HB2) (segid "   A" and resid   20 and name HD11)
    or (segid "   A" and resid   20 and name  HB2) (segid "   A" and resid   20 and name HD12)
assign (segid "   A" and resid   20 and name  HB2) (segid "   A" and resid   20 and name HD21) 2.776 0.964 0.964 weight 1.000 ! spec=13C_..._new, no=257, id=240, vol=8.789788e+05
    or (segid "   A" and resid   20 and name  HB2) (segid "   A" and resid   20 and name HD22)
    or (segid "   A" and resid   20 and name  HB2) (segid "   A" and resid   20 and name HD23)
assign (segid "   A" and resid   60 and name HD13) (segid "   A" and resid    8 and name   HN) 2.545 0.809 0.809 weight 1.000 ! spec=13C_..._new, no=258, id=241, vol=1.134757e+06
    or (segid "   A" and resid   60 and name HD11) (segid "   A" and resid    8 and name   HN)
    or (segid "   A" and resid   60 and name HD12) (segid "   A" and resid    8 and name   HN)
assign (segid "   A" and resid   20 and name HD21) (segid "   A" and resid  102 and name  HB2) 2.626 0.862 0.862 weight 1.000 ! spec=13C_..._new, no=260, id=243, vol=8.749746e+05
    or (segid "   A" and resid   20 and name HD22) (segid "   A" and resid  102 and name  HB2)
    or (segid "   A" and resid   20 and name HD23) (segid "   A" and resid  102 and name  HB2)
assign (segid "   A" and resid   20 and name HD13) (segid "   A" and resid   22 and name HG11) 2.031 0.516 0.516 weight 1.000 ! spec=13C_..._new, no=262, id=245, vol=4.768714e+06
    or (segid "   A" and resid   20 and name HD13) (segid "   A" and resid   22 and name HG13)
    or (segid "   A" and resid   20 and name HD13) (segid "   A" and resid   22 and name HG12)
    or (segid "   A" and resid   20 and name HD11) (segid "   A" and resid   22 and name HG11)
    or (segid "   A" and resid   20 and name HD11) (segid "   A" and resid   22 and name HG13)
    or (segid "   A" and resid   20 and name HD11) (segid "   A" and resid   22 and name HG12)
    or (segid "   A" and resid   20 and name HD12) (segid "   A" and resid   22 and name HG11)
    or (segid "   A" and resid   20 and name HD12) (segid "   A" and resid   22 and name HG13)
    or (segid "   A" and resid   20 and name HD12) (segid "   A" and resid   22 and name HG12)
assign (segid "   A" and resid   20 and name   HG) (segid "   A" and resid   22 and name HG11) 2.902 1.053 1.053 weight 1.000 ! spec=13C_..._new, no=264, id=247, vol=6.407104e+05
    or (segid "   A" and resid   20 and name   HG) (segid "   A" and resid   22 and name HG13)
    or (segid "   A" and resid   20 and name   HG) (segid "   A" and resid   22 and name HG12)
assign (segid "   A" and resid   20 and name   HG) (segid "   A" and resid   20 and name HD13) 2.585 0.835 0.835 weight 1.000 ! spec=13C_..._new, no=265, id=248, vol=1.180306e+06
    or (segid "   A" and resid   20 and name   HG) (segid "   A" and resid   20 and name HD11)
    or (segid "   A" and resid   20 and name   HG) (segid "   A" and resid   20 and name HD12)
assign (segid "   A" and resid   88 and name   HA) (segid "   A" and resid   89 and name   HN) 2.091 0.546 0.546 weight 1.000 ! spec=13C_..._new, no=266, id=249, vol=3.313651e+06
assign (segid "   A" and resid   88 and name   HA) (segid "   A" and resid   74 and name   HA) 2.283 0.652 0.652 weight 1.000 ! spec=13C_..._new, no=267, id=250, vol=2.080043e+06
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   21 and name   HB) 2.649 0.877 0.877 weight 1.000 ! spec=13C_..._new, no=268, id=251, vol=6.942210e+05
assign (segid "   A" and resid   88 and name   HA) (segid "   A" and resid   88 and name HG21) 2.157 0.582 0.582 weight 1.000 ! spec=13C_..._new, no=269, id=252, vol=2.899000e+06
    or (segid "   A" and resid   88 and name   HA) (segid "   A" and resid   88 and name HG23)
    or (segid "   A" and resid   88 and name   HA) (segid "   A" and resid   88 and name HG22)
assign (segid "   A" and resid   21 and name   HB) (segid "   A" and resid   21 and name HG12) 2.335 0.682 0.682 weight 1.000 ! spec=13C_..._new, no=272, id=255, vol=2.532900e+06
    or (segid "   A" and resid   21 and name   HB) (segid "   A" and resid   21 and name HG11)
    or (segid "   A" and resid   21 and name   HB) (segid "   A" and resid   21 and name HG13)
assign (segid "   A" and resid   21 and name HG12) (segid "   A" and resid   23 and name   HN) 2.451 0.751 0.751 weight 1.000 ! spec=13C_..._new, no=273, id=256, vol=1.287949e+06
    or (segid "   A" and resid   21 and name HG11) (segid "   A" and resid   23 and name   HN)
    or (segid "   A" and resid   21 and name HG13) (segid "   A" and resid   23 and name   HN)
assign (segid "   A" and resid   21 and name HG12) (segid "   A" and resid   22 and name   HN) 2.839 1.007 1.007 weight 1.000 ! spec=13C_..._new, no=274, id=257, vol=5.785718e+05
    or (segid "   A" and resid   21 and name HG11) (segid "   A" and resid   22 and name   HN)
    or (segid "   A" and resid   21 and name HG13) (segid "   A" and resid   22 and name   HN)
assign (segid "   A" and resid   21 and name HG12) (segid "   A" and resid   15 and name   HN) 2.537 0.805 0.805 weight 1.000 ! spec=13C_..._new, no=275, id=258, vol=1.094182e+06
    or (segid "   A" and resid   21 and name HG11) (segid "   A" and resid   15 and name   HN)
    or (segid "   A" and resid   21 and name HG13) (segid "   A" and resid   15 and name   HN)
assign (segid "   A" and resid   21 and name HG12) (segid "   A" and resid    5 and name  HE2) 2.273 0.646 0.646 weight 1.000 ! spec=13C_..._new, no=276, id=259, vol=2.308554e+06
    or (segid "   A" and resid   21 and name HG12) (segid "   A" and resid    5 and name  HE1)
    or (segid "   A" and resid   21 and name HG11) (segid "   A" and resid    5 and name  HE2)
    or (segid "   A" and resid   21 and name HG11) (segid "   A" and resid    5 and name  HE1)
    or (segid "   A" and resid   21 and name HG13) (segid "   A" and resid    5 and name  HE2)
    or (segid "   A" and resid   21 and name HG13) (segid "   A" and resid    5 and name  HE1)
assign (segid "   A" and resid   15 and name HG21) (segid "   A" and resid   21 and name HG12) 2.680 0.898 0.898 weight 1.000 ! spec=13C_..._new, no=280, id=263, vol=1.250906e+06
    or (segid "   A" and resid   15 and name HG21) (segid "   A" and resid   21 and name HG11)
    or (segid "   A" and resid   15 and name HG21) (segid "   A" and resid   21 and name HG13)
    or (segid "   A" and resid   15 and name HG23) (segid "   A" and resid   21 and name HG12)
    or (segid "   A" and resid   15 and name HG23) (segid "   A" and resid   21 and name HG11)
    or (segid "   A" and resid   15 and name HG23) (segid "   A" and resid   21 and name HG13)
    or (segid "   A" and resid   15 and name HG22) (segid "   A" and resid   21 and name HG12)
    or (segid "   A" and resid   15 and name HG22) (segid "   A" and resid   21 and name HG11)
    or (segid "   A" and resid   15 and name HG22) (segid "   A" and resid   21 and name HG13)
assign (segid "   A" and resid   84 and name   HA) (segid "   A" and resid   84 and name HG22) 2.015 0.507 0.507 weight 1.000 ! spec=13C_..._new, no=281, id=264, vol=5.209682e+06
    or (segid "   A" and resid   84 and name   HA) (segid "   A" and resid   84 and name HG21)
    or (segid "   A" and resid   84 and name   HA) (segid "   A" and resid   84 and name HG23)
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   22 and name HG23) 2.417 0.730 0.730 weight 1.000 ! spec=13C_..._new, no=282, id=265, vol=1.844406e+06
    or (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   22 and name HG21)
    or (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   22 and name HG22)
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   77 and name  HB1) 2.469 0.762 0.762 weight 1.000 ! spec=13C_..._new, no=284, id=267, vol=3.282421e+05
assign (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   53 and name  HB1) 1.978 0.489 0.489 weight 1.000 ! spec=13C_..._new, no=286, id=269, vol=6.219761e+06
assign (segid "   A" and resid   84 and name   HA) (segid "   A" and resid   85 and name   HN) 2.594 0.841 0.841 weight 1.000 ! spec=13C_..._new, no=288, id=271, vol=8.347562e+05
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   23 and name   HN) 2.150 0.578 0.578 weight 1.000 ! spec=13C_..._new, no=290, id=273, vol=4.109685e+06
assign (segid "   A" and resid   22 and name   HB) (segid "   A" and resid   22 and name   HN) 2.552 0.814 0.814 weight 1.000 ! spec=13C_..._new, no=291, id=274, vol=1.469088e+06
assign (segid "   A" and resid   22 and name HG11) (segid "   A" and resid   53 and name   HN) 2.983 1.112 1.112 weight 1.000 ! spec=13C_..._new, no=292, id=275, vol=1.772766e+05
    or (segid "   A" and resid   22 and name HG13) (segid "   A" and resid   53 and name   HN)
    or (segid "   A" and resid   22 and name HG12) (segid "   A" and resid   53 and name   HN)
assign (segid "   A" and resid   22 and name HG11) (segid "   A" and resid   22 and name   HN) 2.363 0.698 0.698 weight 1.000 ! spec=13C_..._new, no=293, id=276, vol=1.864958e+06
    or (segid "   A" and resid   22 and name HG13) (segid "   A" and resid   22 and name   HN)
    or (segid "   A" and resid   22 and name HG12) (segid "   A" and resid   22 and name   HN)
assign (segid "   A" and resid   22 and name HG11) (segid "   A" and resid   52 and name   HA) 2.820 0.994 0.994 weight 1.000 ! spec=13C_..._new, no=294, id=277, vol=5.223545e+05
    or (segid "   A" and resid   22 and name HG13) (segid "   A" and resid   52 and name   HA)
    or (segid "   A" and resid   22 and name HG12) (segid "   A" and resid   52 and name   HA)
assign (segid "   A" and resid   22 and name HG23) (segid "   A" and resid   22 and name HG11) 2.272 0.646 0.646 weight 1.000 ! spec=13C_..._new, no=295, id=278, vol=2.012181e+06
    or (segid "   A" and resid   22 and name HG23) (segid "   A" and resid   22 and name HG13)
    or (segid "   A" and resid   22 and name HG23) (segid "   A" and resid   22 and name HG12)
    or (segid "   A" and resid   22 and name HG21) (segid "   A" and resid   22 and name HG11)
    or (segid "   A" and resid   22 and name HG21) (segid "   A" and resid   22 and name HG13)
    or (segid "   A" and resid   22 and name HG21) (segid "   A" and resid   22 and name HG12)
    or (segid "   A" and resid   22 and name HG22) (segid "   A" and resid   22 and name HG11)
    or (segid "   A" and resid   22 and name HG22) (segid "   A" and resid   22 and name HG13)
    or (segid "   A" and resid   22 and name HG22) (segid "   A" and resid   22 and name HG12)
assign (segid "   A" and resid   22 and name   HB) (segid "   A" and resid   22 and name HG23) 2.169 0.588 0.588 weight 1.000 ! spec=13C_..._new, no=297, id=280, vol=3.562786e+06
    or (segid "   A" and resid   22 and name   HB) (segid "   A" and resid   22 and name HG21)
    or (segid "   A" and resid   22 and name   HB) (segid "   A" and resid   22 and name HG22)
assign (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   23 and name   HB) 3.006 1.130 1.130 weight 1.000 ! spec=13C_..._new, no=298, id=281, vol=1.155766e+05
assign (segid "   A" and resid   23 and name HG12) (segid "   A" and resid   55 and name   HG) 1.916 0.459 0.459 weight 1.000 ! spec=13C_..._new, no=306, id=288, vol=4.277690e+06
    or (segid "   A" and resid   23 and name HG11) (segid "   A" and resid   55 and name   HG)
    or (segid "   A" and resid   23 and name HG13) (segid "   A" and resid   55 and name   HG)
assign (segid "   A" and resid   23 and name HG21) (segid "   A" and resid   15 and name HG21) 2.695 0.908 0.908 weight 1.000 ! spec=13C_..._new, no=310, id=292, vol=7.707475e+05
    or (segid "   A" and resid   23 and name HG21) (segid "   A" and resid   15 and name HG23)
    or (segid "   A" and resid   23 and name HG21) (segid "   A" and resid   15 and name HG22)
    or (segid "   A" and resid   23 and name HG23) (segid "   A" and resid   15 and name HG21)
    or (segid "   A" and resid   23 and name HG23) (segid "   A" and resid   15 and name HG23)
    or (segid "   A" and resid   23 and name HG23) (segid "   A" and resid   15 and name HG22)
    or (segid "   A" and resid   23 and name HG22) (segid "   A" and resid   15 and name HG21)
    or (segid "   A" and resid   23 and name HG22) (segid "   A" and resid   15 and name HG23)
    or (segid "   A" and resid   23 and name HG22) (segid "   A" and resid   15 and name HG22)
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   23 and name HG21) 2.547 0.811 0.811 weight 1.000 ! spec=13C_..._new, no=311, id=293, vol=1.139428e+06
    or (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   23 and name HG23)
    or (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   23 and name HG22)
assign (segid "   A" and resid   23 and name HG21) (segid "   A" and resid   11 and name  HD1) 2.155 0.581 0.581 weight 1.000 ! spec=13C_..._new, no=312, id=294, vol=3.104135e+06
    or (segid "   A" and resid   23 and name HG21) (segid "   A" and resid   11 and name  HD2)
    or (segid "   A" and resid   23 and name HG23) (segid "   A" and resid   11 and name  HD1)
    or (segid "   A" and resid   23 and name HG23) (segid "   A" and resid   11 and name  HD2)
    or (segid "   A" and resid   23 and name HG22) (segid "   A" and resid   11 and name  HD1)
    or (segid "   A" and resid   23 and name HG22) (segid "   A" and resid   11 and name  HD2)
assign (segid "   A" and resid   23 and name HG21) (segid "   A" and resid   53 and name  HD1) 3.081 1.186 1.186 weight 1.000 ! spec=13C_..._new, no=313, id=295, vol=2.382562e+05
    or (segid "   A" and resid   23 and name HG21) (segid "   A" and resid   53 and name  HD2)
    or (segid "   A" and resid   23 and name HG23) (segid "   A" and resid   53 and name  HD1)
    or (segid "   A" and resid   23 and name HG23) (segid "   A" and resid   53 and name  HD2)
    or (segid "   A" and resid   23 and name HG22) (segid "   A" and resid   53 and name  HD1)
    or (segid "   A" and resid   23 and name HG22) (segid "   A" and resid   53 and name  HD2)
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   25 and name   HN) 2.087 0.545 0.545 weight 1.000 ! spec=13C_..._new, no=315, id=297, vol=4.652899e+06
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name   HN) 2.805 0.983 0.983 weight 1.000 ! spec=13C_..._new, no=316, id=298, vol=7.892411e+05
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   55 and name   HN) 2.906 1.055 1.055 weight 1.000 ! spec=13C_..._new, no=317, id=299, vol=7.943654e+05
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   74 and name   HN) 2.741 0.939 0.939 weight 1.000 ! spec=13C_..._new, no=318, id=300, vol=8.922429e+05
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   75 and name HD11) 2.450 0.750 0.750 weight 1.000 ! spec=13C_..._new, no=324, id=305, vol=1.732363e+06
    or (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   75 and name HD13)
    or (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   75 and name HD12)
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   25 and name  HB2) 3.085 1.190 1.190 weight 1.000 ! spec=13C_..._new, no=326, id=307, vol=2.365428e+05
assign (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   25 and name   HN) 2.635 0.868 0.868 weight 1.000 ! spec=13C_..._new, no=327, id=308, vol=7.849424e+05
    or (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid   25 and name   HN)
    or (segid "   A" and resid   24 and name  HB3) (segid "   A" and resid   25 and name   HN)
assign (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   24 and name   HN) 2.179 0.594 0.594 weight 1.000 ! spec=13C_..._new, no=328, id=309, vol=2.978820e+06
    or (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid   24 and name   HN)
    or (segid "   A" and resid   24 and name  HB3) (segid "   A" and resid   24 and name   HN)
assign (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   54 and name   HA) 2.415 0.729 0.729 weight 1.000 ! spec=13C_..._new, no=329, id=310, vol=1.515372e+06
    or (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid   54 and name   HA)
    or (segid "   A" and resid   24 and name  HB3) (segid "   A" and resid   54 and name   HA)
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name  HB1) 2.135 0.570 0.570 weight 1.000 ! spec=13C_..._new, no=330, id=311, vol=3.174496e+06
    or (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name  HB2)
    or (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name  HB3)
assign (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   54 and name  HD2) 2.268 0.643 0.643 weight 1.000 ! spec=13C_..._new, no=333, id=314, vol=1.881779e+06
    or (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid   54 and name  HD2)
    or (segid "   A" and resid   24 and name  HB3) (segid "   A" and resid   54 and name  HD2)
assign (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   75 and name HD11) 2.087 0.545 0.545 weight 1.000 ! spec=13C_..._new, no=335, id=316, vol=4.109493e+06
    or (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   75 and name HD13)
    or (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   75 and name HD12)
    or (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid   75 and name HD11)
    or (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid   75 and name HD13)
    or (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid   75 and name HD12)
    or (segid "   A" and resid   24 and name  HB3) (segid "   A" and resid   75 and name HD11)
    or (segid "   A" and resid   24 and name  HB3) (segid "   A" and resid   75 and name HD13)
    or (segid "   A" and resid   24 and name  HB3) (segid "   A" and resid   75 and name HD12)
assign (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   25 and name  HB1) 2.603 0.847 0.847 weight 1.000 ! spec=13C_..._new, no=336, id=317, vol=1.258634e+06
assign (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   26 and name   HN) 2.166 0.587 0.587 weight 1.000 ! spec=13C_..._new, no=337, id=318, vol=3.524266e+06
assign (segid "   A" and resid   25 and name  HB2) (segid "   A" and resid   69 and name HG13) 3.153 1.243 1.243 weight 1.000 ! spec=13C_..._new, no=338, id=319, vol=3.882596e+05
    or (segid "   A" and resid   25 and name  HB2) (segid "   A" and resid   69 and name HG11)
    or (segid "   A" and resid   25 and name  HB2) (segid "   A" and resid   69 and name HG12)
assign (segid "   A" and resid   25 and name  HB1) (segid "   A" and resid   25 and name   HN) 2.878 1.036 1.036 weight 1.000 ! spec=13C_..._new, no=344, id=325, vol=5.133858e+05
assign (segid "   A" and resid   25 and name  HB2) (segid "   A" and resid   25 and name  HB1) 2.195 0.602 0.602 weight 1.000 ! spec=13C_..._new, no=347, id=328, vol=3.328661e+06
assign (segid "   A" and resid   25 and name  HB1) (segid "   A" and resid   69 and name HG13) 2.877 1.034 1.034 weight 1.000 ! spec=13C_..._new, no=349, id=330, vol=6.200497e+05
    or (segid "   A" and resid   25 and name  HB1) (segid "   A" and resid   69 and name HG11)
    or (segid "   A" and resid   25 and name  HB1) (segid "   A" and resid   69 and name HG12)
assign (segid "   A" and resid   77 and name   HA) (segid "   A" and resid   78 and name   HN) 2.121 0.563 0.563 weight 1.000 ! spec=13C_..._new, no=350, id=331, vol=4.203159e+06
assign (segid "   A" and resid   77 and name   HA) (segid "   A" and resid   77 and name   HN) 2.768 0.958 0.958 weight 1.000 ! spec=13C_..._new, no=351, id=332, vol=7.557017e+05
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   77 and name   HA) 2.392 0.715 0.715 weight 1.000 ! spec=13C_..._new, no=353, id=334, vol=2.075025e+06
assign (segid "   A" and resid   77 and name   HA) (segid "   A" and resid   77 and name HD21) 2.534 0.802 0.802 weight 1.000 ! spec=13C_..._new, no=356, id=337, vol=1.433211e+06
    or (segid "   A" and resid   77 and name   HA) (segid "   A" and resid   77 and name HD23)
    or (segid "   A" and resid   77 and name   HA) (segid "   A" and resid   77 and name HD22)
assign (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   28 and name   HN) 2.381 0.708 0.708 weight 1.000 ! spec=13C_..._new, no=362, id=343, vol=2.099062e+06
assign (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   57 and name   HN) 2.848 1.014 1.014 weight 1.000 ! spec=13C_..._new, no=363, id=344, vol=7.545970e+05
assign (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   27 and name   HN) 2.610 0.851 0.851 weight 1.000 ! spec=13C_..._new, no=365, id=346, vol=1.037605e+06
assign (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   27 and name  HB1) 2.162 0.584 0.584 weight 1.000 ! spec=13C_..._new, no=368, id=348, vol=3.704487e+06
    or (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   27 and name  HB3)
    or (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   27 and name  HB2)
assign (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   57 and name HG11) 2.847 1.013 1.013 weight 1.000 ! spec=13C_..._new, no=369, id=349, vol=6.417039e+05
    or (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   57 and name HG12)
    or (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   57 and name HG13)
assign (segid "   A" and resid   27 and name  HB1) (segid "   A" and resid   29 and name  HE1) 2.908 1.057 1.057 weight 1.000 ! spec=13C_..._new, no=370, id=350, vol=5.485992e+05
    or (segid "   A" and resid   27 and name  HB3) (segid "   A" and resid   29 and name  HE1)
    or (segid "   A" and resid   27 and name  HB2) (segid "   A" and resid   29 and name  HE1)
assign (segid "   A" and resid   27 and name  HB1) (segid "   A" and resid   28 and name   HN) 3.042 1.157 1.157 weight 1.000 ! spec=13C_..._new, no=371, id=351, vol=4.054858e+05
    or (segid "   A" and resid   27 and name  HB3) (segid "   A" and resid   28 and name   HN)
    or (segid "   A" and resid   27 and name  HB2) (segid "   A" and resid   28 and name   HN)
assign (segid "   A" and resid   27 and name  HB1) (segid "   A" and resid   57 and name   HN) 2.984 1.113 1.113 weight 1.000 ! spec=13C_..._new, no=372, id=352, vol=3.688094e+05
    or (segid "   A" and resid   27 and name  HB3) (segid "   A" and resid   57 and name   HN)
    or (segid "   A" and resid   27 and name  HB2) (segid "   A" and resid   57 and name   HN)
assign (segid "   A" and resid   27 and name  HB1) (segid "   A" and resid   29 and name  HD1) 2.871 1.030 1.030 weight 1.000 ! spec=13C_..._new, no=373, id=353, vol=6.233903e+05
    or (segid "   A" and resid   27 and name  HB3) (segid "   A" and resid   29 and name  HD1)
    or (segid "   A" and resid   27 and name  HB2) (segid "   A" and resid   29 and name  HD1)
assign (segid "   A" and resid   27 and name  HB1) (segid "   A" and resid   27 and name   HN) 2.785 0.970 0.970 weight 1.000 ! spec=13C_..._new, no=374, id=354, vol=5.487349e+05
    or (segid "   A" and resid   27 and name  HB3) (segid "   A" and resid   27 and name   HN)
    or (segid "   A" and resid   27 and name  HB2) (segid "   A" and resid   27 and name   HN)
assign (segid "   A" and resid   27 and name  HB1) (segid "   A" and resid   29 and name   HN) 2.914 1.061 1.061 weight 1.000 ! spec=13C_..._new, no=375, id=355, vol=5.602365e+05
    or (segid "   A" and resid   27 and name  HB3) (segid "   A" and resid   29 and name   HN)
    or (segid "   A" and resid   27 and name  HB2) (segid "   A" and resid   29 and name   HN)
assign (segid "   A" and resid   28 and name   HB) (segid "   A" and resid   28 and name HG23) 2.026 0.513 0.513 weight 1.000 ! spec=13C_..._new, no=379, id=358, vol=5.159855e+06
    or (segid "   A" and resid   28 and name   HB) (segid "   A" and resid   28 and name HG22)
    or (segid "   A" and resid   28 and name   HB) (segid "   A" and resid   28 and name HG21)
assign (segid "   A" and resid   28 and name   HB) (segid "   A" and resid   28 and name   HN) 2.805 0.983 0.983 weight 1.000 ! spec=13C_..._new, no=382, id=361, vol=6.509229e+05
assign (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   28 and name   HN) 2.700 0.911 0.911 weight 1.000 ! spec=13C_..._new, no=383, id=362, vol=9.424211e+05
assign (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   29 and name   HN) 2.818 0.992 0.992 weight 1.000 ! spec=13C_..._new, no=384, id=363, vol=5.879921e+05
assign (segid "   A" and resid   28 and name   HB) (segid "   A" and resid   28 and name   HA) 2.106 0.555 0.555 weight 1.000 ! spec=13C_..._new, no=385, id=364, vol=4.113892e+06
assign (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   28 and name HG23) 2.125 0.565 0.565 weight 1.000 ! spec=13C_..._new, no=387, id=366, vol=3.711240e+06
    or (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   28 and name HG22)
    or (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   28 and name HG21)
assign (segid "   A" and resid   93 and name  HB3) (segid "   A" and resid   94 and name   HN) 2.276 0.648 0.648 weight 1.000 ! spec=13C_..._new, no=388, id=367, vol=2.397224e+06
    or (segid "   A" and resid   93 and name  HB1) (segid "   A" and resid   94 and name   HN)
    or (segid "   A" and resid   93 and name  HB2) (segid "   A" and resid   94 and name   HN)
assign (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   29 and name  HB1) 2.244 0.630 0.630 weight 1.000 ! spec=13C_..._new, no=391, id=370, vol=2.782192e+06
assign (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   29 and name  HB2) 2.364 0.698 0.698 weight 1.000 ! spec=13C_..._new, no=392, id=371, vol=1.714725e+06
assign (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   29 and name   HN) 2.736 0.936 0.936 weight 1.000 ! spec=13C_..._new, no=394, id=372, vol=7.909964e+05
assign (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   29 and name  HD1) 2.974 1.106 1.106 weight 1.000 ! spec=13C_..._new, no=395, id=373, vol=4.109920e+05
assign (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   29 and name  HB1) 2.151 0.579 0.579 weight 1.000 ! spec=13C_..._new, no=396, id=374, vol=3.763459e+06
assign (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   29 and name   HN) 2.803 0.982 0.982 weight 1.000 ! spec=13C_..._new, no=398, id=376, vol=7.215094e+05
assign (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   29 and name  HD1) 2.995 1.122 1.122 weight 1.000 ! spec=13C_..._new, no=399, id=377, vol=4.866621e+05
assign (segid "   A" and resid   29 and name  HB1) (segid "   A" and resid   29 and name  HD1) 2.930 1.073 1.073 weight 1.000 ! spec=13C_..._new, no=400, id=378, vol=6.179728e+05
assign (segid "   A" and resid   33 and name   HA) (segid "   A" and resid   37 and name  HB3) 2.798 0.978 0.978 weight 1.000 ! spec=13C_..._new, no=408, id=385, vol=3.208097e+05
    or (segid "   A" and resid   33 and name   HA) (segid "   A" and resid   37 and name  HB1)
    or (segid "   A" and resid   33 and name   HA) (segid "   A" and resid   37 and name  HB2)
assign (segid "   A" and resid   65 and name   HA) (segid "   A" and resid   69 and name   HN) 2.431 0.739 0.739 weight 1.000 ! spec=13C_..._new, no=410, id=387, vol=1.695131e+06
assign (segid "   A" and resid   46 and name   HA) (segid "   A" and resid   46 and name  HB2) 1.923 0.462 0.462 weight 1.000 ! spec=13C_..._new, no=412, id=389, vol=6.842467e+06
assign (segid "   A" and resid   34 and name  HB1) (segid "   A" and resid   34 and name   HA) 2.639 0.871 0.871 weight 1.000 ! spec=13C_..._new, no=415, id=392, vol=1.204394e+06
assign (segid "   A" and resid   35 and name   HA) (segid "   A" and resid   35 and name   HN) 2.433 0.740 0.740 weight 1.000 ! spec=13C_..._new, no=416, id=393, vol=1.734289e+06
assign (segid "   A" and resid   35 and name   HA) (segid "   A" and resid   35 and name  HB2) 2.048 0.525 0.525 weight 1.000 ! spec=13C_..._new, no=418, id=395, vol=4.584951e+06
assign (segid "   A" and resid   35 and name  HG1) (segid "   A" and resid   36 and name   HN) 2.858 1.021 1.021 weight 1.000 ! spec=13C_..._new, no=421, id=398, vol=4.786638e+05
assign (segid "   A" and resid   35 and name   HA) (segid "   A" and resid   35 and name  HG1) 2.744 0.941 0.941 weight 1.000 ! spec=13C_..._new, no=422, id=399, vol=5.439005e+05
assign (segid "   A" and resid   35 and name  HG1) (segid "   A" and resid   36 and name   HA) 3.188 1.270 1.270 weight 1.000 ! spec=13C_..._new, no=423, id=400, vol=2.149044e+05
assign (segid "   A" and resid   35 and name  HG1) (segid "   A" and resid   35 and name  HB2) 1.937 0.469 0.469 weight 1.000 ! spec=13C_..._new, no=424, id=401, vol=6.043926e+06
assign (segid "   A" and resid   35 and name  HG2) (segid "   A" and resid   36 and name   HN) 2.865 1.026 1.026 weight 1.000 ! spec=13C_..._new, no=426, id=403, vol=5.193281e+05
assign (segid "   A" and resid   35 and name  HG2) (segid "   A" and resid   33 and name   HN) 3.290 1.353 1.353 weight 1.000 ! spec=13C_..._new, no=427, id=404, vol=1.180594e+05
assign (segid "   A" and resid   35 and name   HA) (segid "   A" and resid   35 and name  HG2) 2.792 0.975 0.975 weight 1.000 ! spec=13C_..._new, no=428, id=405, vol=5.567250e+05
assign (segid "   A" and resid   10 and name  HG2) (segid "   A" and resid   10 and name   HA) 3.053 1.165 1.165 weight 1.000 ! spec=13C_..._new, no=429, id=406, vol=3.122839e+05
assign (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   36 and name HG11) 2.666 0.889 0.889 weight 1.000 ! spec=13C_..._new, no=432, id=408, vol=1.039491e+06
assign (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   92 and name  HG2) 2.215 0.614 0.614 weight 1.000 ! spec=13C_..._new, no=433, id=409, vol=2.983204e+06
assign (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   39 and name  HG1) 2.857 1.021 1.021 weight 1.000 ! spec=13C_..._new, no=434, id=410, vol=6.172546e+05
assign (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   39 and name   HN) 2.948 1.086 1.086 weight 1.000 ! spec=13C_..._new, no=437, id=412, vol=4.821507e+05
assign (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   36 and name   HN) 2.520 0.794 0.794 weight 1.000 ! spec=13C_..._new, no=438, id=413, vol=1.361266e+06
assign (segid "   A" and resid   36 and name   HB) (segid "   A" and resid   36 and name   HA) 2.415 0.729 0.729 weight 1.000 ! spec=13C_..._new, no=440, id=415, vol=1.989377e+06
assign (segid "   A" and resid   36 and name   HB) (segid "   A" and resid   39 and name  HB2) 2.818 0.993 0.993 weight 1.000 ! spec=13C_..._new, no=441, id=416, vol=6.870916e+05
assign (segid "   A" and resid   36 and name HD12) (segid "   A" and resid   40 and name   HB) 2.534 0.802 0.802 weight 1.000 ! spec=13C_..._new, no=447, id=422, vol=1.211341e+06
    or (segid "   A" and resid   36 and name HD11) (segid "   A" and resid   40 and name   HB)
    or (segid "   A" and resid   36 and name HD13) (segid "   A" and resid   40 and name   HB)
assign (segid "   A" and resid   36 and name HD12) (segid "   A" and resid   54 and name  HD2) 2.070 0.536 0.536 weight 1.000 ! spec=13C_..._new, no=448, id=423, vol=4.154165e+06
    or (segid "   A" and resid   36 and name HD11) (segid "   A" and resid   54 and name  HD2)
    or (segid "   A" and resid   36 and name HD13) (segid "   A" and resid   54 and name  HD2)
assign (segid "   A" and resid   36 and name HD12) (segid "   A" and resid   37 and name  HB3) 2.323 0.675 0.675 weight 1.000 ! spec=13C_..._new, no=449, id=424, vol=2.016966e+06
    or (segid "   A" and resid   36 and name HD12) (segid "   A" and resid   37 and name  HB1)
    or (segid "   A" and resid   36 and name HD12) (segid "   A" and resid   37 and name  HB2)
    or (segid "   A" and resid   36 and name HD11) (segid "   A" and resid   37 and name  HB3)
    or (segid "   A" and resid   36 and name HD11) (segid "   A" and resid   37 and name  HB1)
    or (segid "   A" and resid   36 and name HD11) (segid "   A" and resid   37 and name  HB2)
    or (segid "   A" and resid   36 and name HD13) (segid "   A" and resid   37 and name  HB3)
    or (segid "   A" and resid   36 and name HD13) (segid "   A" and resid   37 and name  HB1)
    or (segid "   A" and resid   36 and name HD13) (segid "   A" and resid   37 and name  HB2)
assign (segid "   A" and resid   36 and name HG11) (segid "   A" and resid   36 and name HD12) 2.212 0.612 0.612 weight 1.000 ! spec=13C_..._new, no=450, id=425, vol=3.481100e+06
    or (segid "   A" and resid   36 and name HG11) (segid "   A" and resid   36 and name HD11)
    or (segid "   A" and resid   36 and name HG11) (segid "   A" and resid   36 and name HD13)
assign (segid "   A" and resid   36 and name HG12) (segid "   A" and resid   40 and name   HN) 2.876 1.034 1.034 weight 1.000 ! spec=13C_..._new, no=453, id=428, vol=6.462640e+05
assign (segid "   A" and resid   36 and name HG12) (segid "   A" and resid   40 and name   HB) 2.638 0.870 0.870 weight 1.000 ! spec=13C_..._new, no=455, id=430, vol=8.484285e+05
assign (segid "   A" and resid   36 and name HD12) (segid "   A" and resid   37 and name   HA) 2.540 0.806 0.806 weight 1.000 ! spec=13C_..._new, no=456, id=431, vol=1.204609e+06
    or (segid "   A" and resid   36 and name HD11) (segid "   A" and resid   37 and name   HA)
    or (segid "   A" and resid   36 and name HD13) (segid "   A" and resid   37 and name   HA)
assign (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   40 and name   HN) 2.912 1.060 1.060 weight 1.000 ! spec=13C_..._new, no=459, id=434, vol=4.928032e+05
assign (segid "   A" and resid   37 and name  HB3) (segid "   A" and resid   37 and name   HN) 2.062 0.531 0.531 weight 1.000 ! spec=13C_..._new, no=461, id=435, vol=4.083671e+06
    or (segid "   A" and resid   37 and name  HB1) (segid "   A" and resid   37 and name   HN)
    or (segid "   A" and resid   37 and name  HB2) (segid "   A" and resid   37 and name   HN)
assign (segid "   A" and resid   37 and name  HB3) (segid "   A" and resid   26 and name  HD2) 3.163 1.251 1.251 weight 1.000 ! spec=13C_..._new, no=463, id=437, vol=3.523475e+04
    or (segid "   A" and resid   37 and name  HB3) (segid "   A" and resid   26 and name  HD1)
    or (segid "   A" and resid   37 and name  HB1) (segid "   A" and resid   26 and name  HD2)
    or (segid "   A" and resid   37 and name  HB1) (segid "   A" and resid   26 and name  HD1)
    or (segid "   A" and resid   37 and name  HB2) (segid "   A" and resid   26 and name  HD2)
    or (segid "   A" and resid   37 and name  HB2) (segid "   A" and resid   26 and name  HD1)
assign (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   37 and name  HB3) 2.002 0.501 0.501 weight 1.000 ! spec=13C_..._new, no=464, id=438, vol=5.185707e+06
    or (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   37 and name  HB1)
    or (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   37 and name  HB2)
assign (segid "   A" and resid   90 and name   HA) (segid "   A" and resid   90 and name  HB3) 2.042 0.521 0.521 weight 1.000 ! spec=13C_..._new, no=470, id=444, vol=5.108907e+06
    or (segid "   A" and resid   90 and name   HA) (segid "   A" and resid   90 and name  HB1)
    or (segid "   A" and resid   90 and name   HA) (segid "   A" and resid   90 and name  HB2)
assign (segid "   A" and resid   90 and name   HA) (segid "   A" and resid   91 and name   HN) 2.167 0.587 0.587 weight 1.000 ! spec=13C_..._new, no=473, id=447, vol=3.432007e+06
assign (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   39 and name   HN) 2.419 0.732 0.732 weight 1.000 ! spec=13C_..._new, no=475, id=449, vol=1.818932e+06
assign (segid "   A" and resid   39 and name  HB1) (segid "   A" and resid   39 and name   HA) 2.267 0.642 0.642 weight 1.000 ! spec=13C_..._new, no=478, id=452, vol=2.710456e+06
assign (segid "   A" and resid   39 and name  HB2) (segid "   A" and resid   39 and name  HB1) 1.989 0.494 0.494 weight 1.000 ! spec=13C_..._new, no=481, id=455, vol=6.089754e+06
assign (segid "   A" and resid   65 and name  HG1) (segid "   A" and resid   61 and name  HA1) 2.958 1.094 1.094 weight 1.000 ! spec=13C_..._new, no=489, id=463, vol=5.119708e+05
assign (segid "   A" and resid   40 and name   HA) (segid "   A" and resid   40 and name   HB) 2.791 0.974 0.974 weight 1.000 ! spec=13C_..._new, no=493, id=467, vol=8.439431e+05
assign (segid "   A" and resid   40 and name   HA) (segid "   A" and resid   43 and name  HB1) 2.668 0.890 0.890 weight 1.000 ! spec=13C_..._new, no=494, id=468, vol=1.130220e+06
assign (segid "   A" and resid   40 and name   HA) (segid "   A" and resid   43 and name  HD2) 2.568 0.824 0.824 weight 1.000 ! spec=13C_..._new, no=495, id=469, vol=1.306749e+06
    or (segid "   A" and resid   40 and name   HA) (segid "   A" and resid   43 and name  HD1)
assign (segid "   A" and resid   40 and name   HA) (segid "   A" and resid   43 and name   HN) 2.772 0.961 0.961 weight 1.000 ! spec=13C_..._new, no=498, id=472, vol=6.132506e+05
assign (segid "   A" and resid   17 and name  HG2) (segid "   A" and resid   18 and name   HN) 2.938 1.079 1.079 weight 1.000 ! spec=13C_..._new, no=499, id=473, vol=3.691497e+05
assign (segid "   A" and resid   40 and name   HB) (segid "   A" and resid   41 and name   HN) 2.449 0.749 0.749 weight 1.000 ! spec=13C_..._new, no=500, id=474, vol=1.904790e+06
assign (segid "   A" and resid   40 and name   HB) (segid "   A" and resid    2 and name HG13) 2.916 1.063 1.063 weight 1.000 ! spec=13C_..._new, no=505, id=478, vol=4.665235e+05
    or (segid "   A" and resid   40 and name   HB) (segid "   A" and resid    2 and name HG12)
    or (segid "   A" and resid   40 and name   HB) (segid "   A" and resid    2 and name HG11)
assign (segid "   A" and resid   40 and name HD11) (segid "   A" and resid   54 and name  HD2) 2.454 0.753 0.753 weight 1.000 ! spec=13C_..._new, no=506, id=479, vol=1.114137e+06
    or (segid "   A" and resid   40 and name HD13) (segid "   A" and resid   54 and name  HD2)
    or (segid "   A" and resid   40 and name HD12) (segid "   A" and resid   54 and name  HD2)
assign (segid "   A" and resid   40 and name HD11) (segid "   A" and resid   92 and name   HA) 2.318 0.672 0.672 weight 1.000 ! spec=13C_..._new, no=508, id=480, vol=1.903060e+06
    or (segid "   A" and resid   40 and name HD13) (segid "   A" and resid   92 and name   HA)
    or (segid "   A" and resid   40 and name HD12) (segid "   A" and resid   92 and name   HA)
assign (segid "   A" and resid   40 and name HD11) (segid "   A" and resid   40 and name   HN) 2.567 0.824 0.824 weight 1.000 ! spec=13C_..._new, no=509, id=481, vol=7.882948e+05
    or (segid "   A" and resid   40 and name HD13) (segid "   A" and resid   40 and name   HN)
    or (segid "   A" and resid   40 and name HD12) (segid "   A" and resid   40 and name   HN)
assign (segid "   A" and resid   40 and name HG22) (segid "   A" and resid    2 and name HG13) 2.158 0.582 0.582 weight 1.000 ! spec=13C_..._new, no=513, id=485, vol=3.058825e+06
    or (segid "   A" and resid   40 and name HG22) (segid "   A" and resid    2 and name HG12)
    or (segid "   A" and resid   40 and name HG22) (segid "   A" and resid    2 and name HG11)
    or (segid "   A" and resid   40 and name HG21) (segid "   A" and resid    2 and name HG13)
    or (segid "   A" and resid   40 and name HG21) (segid "   A" and resid    2 and name HG12)
    or (segid "   A" and resid   40 and name HG21) (segid "   A" and resid    2 and name HG11)
    or (segid "   A" and resid   40 and name HG23) (segid "   A" and resid    2 and name HG13)
    or (segid "   A" and resid   40 and name HG23) (segid "   A" and resid    2 and name HG12)
    or (segid "   A" and resid   40 and name HG23) (segid "   A" and resid    2 and name HG11)
assign (segid "   A" and resid   40 and name HG22) (segid "   A" and resid   54 and name  HD2) 2.320 0.673 0.673 weight 1.000 ! spec=13C_..._new, no=515, id=486, vol=2.006121e+06
    or (segid "   A" and resid   40 and name HG21) (segid "   A" and resid   54 and name  HD2)
    or (segid "   A" and resid   40 and name HG23) (segid "   A" and resid   54 and name  HD2)
assign (segid "   A" and resid   40 and name   HB) (segid "   A" and resid   40 and name HG22) 2.070 0.536 0.536 weight 1.000 ! spec=13C_..._new, no=516, id=487, vol=3.883989e+06
    or (segid "   A" and resid   40 and name   HB) (segid "   A" and resid   40 and name HG21)
    or (segid "   A" and resid   40 and name   HB) (segid "   A" and resid   40 and name HG23)
assign (segid "   A" and resid   40 and name   HA) (segid "   A" and resid   40 and name HG22) 2.262 0.640 0.640 weight 1.000 ! spec=13C_..._new, no=517, id=488, vol=2.391039e+06
    or (segid "   A" and resid   40 and name   HA) (segid "   A" and resid   40 and name HG21)
    or (segid "   A" and resid   40 and name   HA) (segid "   A" and resid   40 and name HG23)
assign (segid "   A" and resid   40 and name HG22) (segid "   A" and resid   41 and name   HN) 2.569 0.825 0.825 weight 1.000 ! spec=13C_..._new, no=518, id=489, vol=1.083430e+06
    or (segid "   A" and resid   40 and name HG21) (segid "   A" and resid   41 and name   HN)
    or (segid "   A" and resid   40 and name HG23) (segid "   A" and resid   41 and name   HN)
assign (segid "   A" and resid   40 and name HG22) (segid "   A" and resid   40 and name   HN) 2.747 0.943 0.943 weight 1.000 ! spec=13C_..._new, no=520, id=491, vol=7.783054e+05
    or (segid "   A" and resid   40 and name HG21) (segid "   A" and resid   40 and name   HN)
    or (segid "   A" and resid   40 and name HG23) (segid "   A" and resid   40 and name   HN)
assign (segid "   A" and resid   41 and name   HA) (segid "   A" and resid    2 and name HG13) 2.137 0.571 0.571 weight 1.000 ! spec=13C_..._new, no=522, id=493, vol=3.747053e+06
    or (segid "   A" and resid   41 and name   HA) (segid "   A" and resid    2 and name HG12)
    or (segid "   A" and resid   41 and name   HA) (segid "   A" and resid    2 and name HG11)
assign (segid "   A" and resid   41 and name   HA) (segid "   A" and resid   41 and name   HN) 2.354 0.693 0.693 weight 1.000 ! spec=13C_..._new, no=526, id=496, vol=2.086520e+06
assign (segid "   A" and resid   41 and name   HA) (segid "   A" and resid   44 and name   HN) 2.843 1.010 1.010 weight 1.000 ! spec=13C_..._new, no=527, id=497, vol=6.125914e+05
assign (segid "   A" and resid   42 and name   HA) (segid "   A" and resid   42 and name   HN) 2.230 0.622 0.622 weight 1.000 ! spec=13C_..._new, no=529, id=499, vol=2.940656e+06
assign (segid "   A" and resid   42 and name   HA) (segid "   A" and resid   44 and name   HN) 2.737 0.936 0.936 weight 1.000 ! spec=13C_..._new, no=530, id=500, vol=5.028568e+05
assign (segid "   A" and resid   42 and name   HA) (segid "   A" and resid   42 and name  HB1) 1.997 0.499 0.499 weight 1.000 ! spec=13C_..._new, no=531, id=501, vol=5.636063e+06
assign (segid "   A" and resid   67 and name  HB1) (segid "   A" and resid   76 and name HD11) 2.563 0.821 0.821 weight 1.000 ! spec=13C_..._new, no=536, id=506, vol=1.239383e+06
    or (segid "   A" and resid   67 and name  HB1) (segid "   A" and resid   76 and name HD13)
    or (segid "   A" and resid   67 and name  HB1) (segid "   A" and resid   76 and name HD12)
assign (segid "   A" and resid   67 and name  HB1) (segid "   A" and resid   67 and name  HB2) 2.029 0.515 0.515 weight 1.000 ! spec=13C_..._new, no=538, id=508, vol=5.293035e+06
assign (segid "   A" and resid   67 and name  HB1) (segid "   A" and resid   67 and name   HA) 2.376 0.706 0.706 weight 1.000 ! spec=13C_..._new, no=539, id=509, vol=2.284118e+06
assign (segid "   A" and resid   67 and name  HB1) (segid "   A" and resid   67 and name HD21) 2.787 0.971 0.971 weight 1.000 ! spec=13C_..._new, no=541, id=511, vol=7.911537e+05
assign (segid "   A" and resid   43 and name  HB2) (segid "   A" and resid   43 and name  HD2) 2.965 1.099 1.099 weight 1.000 ! spec=13C_..._new, no=542, id=512, vol=5.843860e+05
    or (segid "   A" and resid   43 and name  HB2) (segid "   A" and resid   43 and name  HD1)
assign (segid "   A" and resid   43 and name  HB2) (segid "   A" and resid   43 and name   HA) 2.945 1.084 1.084 weight 1.000 ! spec=13C_..._new, no=543, id=513, vol=4.175121e+05
assign (segid "   A" and resid   43 and name  HB1) (segid "   A" and resid   43 and name   HA) 2.853 1.017 1.017 weight 1.000 ! spec=13C_..._new, no=545, id=515, vol=6.335422e+05
assign (segid "   A" and resid   43 and name  HB2) (segid "   A" and resid   40 and name   HA) 2.940 1.081 1.081 weight 1.000 ! spec=13C_..._new, no=546, id=516, vol=3.793549e+05
assign (segid "   A" and resid   44 and name   HA) (segid "   A" and resid   47 and name   HN) 2.602 0.846 0.846 weight 1.000 ! spec=13C_..._new, no=548, id=518, vol=1.117089e+06
assign (segid "   A" and resid   44 and name   HA) (segid "   A" and resid   44 and name  HB2) 2.363 0.698 0.698 weight 1.000 ! spec=13C_..._new, no=549, id=519, vol=2.053026e+06
assign (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   45 and name   HN) 2.385 0.711 0.711 weight 1.000 ! spec=13C_..._new, no=550, id=520, vol=1.790688e+06
assign (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   37 and name   HN) 2.321 0.674 0.674 weight 1.000 ! spec=13C_..._new, no=553, id=523, vol=2.459609e+06
assign (segid "   A" and resid   45 and name  HB1) (segid "   A" and resid   45 and name   HN) 2.729 0.931 0.931 weight 1.000 ! spec=13C_..._new, no=554, id=524, vol=9.420589e+05
assign (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   45 and name  HB2) 2.612 0.853 0.853 weight 1.000 ! spec=13C_..._new, no=555, id=525, vol=1.295209e+06
assign (segid "   A" and resid   45 and name  HB2) (segid "   A" and resid   42 and name   HA) 2.599 0.844 0.844 weight 1.000 ! spec=13C_..._new, no=557, id=527, vol=1.261563e+06
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   12 and name   HN) 2.326 0.676 0.676 weight 1.000 ! spec=13C_..._new, no=559, id=529, vol=2.393390e+06
assign (segid "   A" and resid   46 and name  HB1) (segid "   A" and resid   43 and name   HA) 2.879 1.036 1.036 weight 1.000 ! spec=13C_..._new, no=562, id=531, vol=5.133731e+05
assign (segid "   A" and resid   46 and name  HG2) (segid "   A" and resid   46 and name   HA) 2.741 0.939 0.939 weight 1.000 ! spec=13C_..._new, no=565, id=533, vol=7.507786e+05
assign (segid "   A" and resid   46 and name  HG2) (segid "   A" and resid   43 and name  HD2) 2.760 0.952 0.952 weight 1.000 ! spec=13C_..._new, no=566, id=534, vol=7.788165e+05
    or (segid "   A" and resid   46 and name  HG2) (segid "   A" and resid   43 and name  HD1)
assign (segid "   A" and resid   46 and name  HG1) (segid "   A" and resid   43 and name   HN) 2.851 1.016 1.016 weight 1.000 ! spec=13C_..._new, no=567, id=535, vol=6.074554e+05
assign (segid "   A" and resid   68 and name  HG1) (segid "   A" and resid   68 and name   HN) 2.834 1.004 1.004 weight 1.000 ! spec=13C_..._new, no=568, id=536, vol=6.609201e+05
assign (segid "   A" and resid   46 and name  HG1) (segid "   A" and resid   43 and name  HB2) 2.785 0.970 0.970 weight 1.000 ! spec=13C_..._new, no=570, id=538, vol=9.074088e+04
assign (segid "   A" and resid   47 and name   HA) (segid "   A" and resid   49 and name   HN) 2.920 1.065 1.065 weight 1.000 ! spec=13C_..._new, no=574, id=542, vol=4.491236e+05
assign (segid "   A" and resid   47 and name   HA) (segid "   A" and resid   47 and name   HN) 2.600 0.845 0.845 weight 1.000 ! spec=13C_..._new, no=575, id=543, vol=1.098289e+06
assign (segid "   A" and resid   47 and name   HA) (segid "   A" and resid   47 and name  HD2) 2.501 0.782 0.782 weight 1.000 ! spec=13C_..._new, no=576, id=544, vol=1.545567e+06
    or (segid "   A" and resid   47 and name   HA) (segid "   A" and resid   47 and name  HD1)
assign (segid "   A" and resid   47 and name   HA) (segid "   A" and resid   50 and name  HB1) 2.917 1.064 1.064 weight 1.000 ! spec=13C_..._new, no=582, id=549, vol=3.016596e+05
    or (segid "   A" and resid   47 and name   HA) (segid "   A" and resid   50 and name  HB2)
    or (segid "   A" and resid   47 and name   HA) (segid "   A" and resid   50 and name  HB3)
assign (segid "   A" and resid   49 and name   HA) (segid "   A" and resid   49 and name   HN) 2.266 0.642 0.642 weight 1.000 ! spec=13C_..._new, no=588, id=555, vol=2.240104e+06
assign (segid "   A" and resid   49 and name   HA) (segid "   A" and resid   50 and name   HN) 2.512 0.789 0.789 weight 1.000 ! spec=13C_..._new, no=589, id=556, vol=1.152073e+06
assign (segid "   A" and resid   49 and name   HA) (segid "   A" and resid   49 and name  HB2) 1.905 0.454 0.454 weight 1.000 ! spec=13C_..._new, no=591, id=558, vol=7.548132e+06
assign (segid "   A" and resid   50 and name   HA) (segid "   A" and resid   51 and name   HN) 2.073 0.537 0.537 weight 1.000 ! spec=13C_..._new, no=601, id=568, vol=4.914042e+06
assign (segid "   A" and resid   50 and name   HA) (segid "   A" and resid   50 and name   HN) 2.572 0.827 0.827 weight 1.000 ! spec=13C_..._new, no=602, id=569, vol=1.309479e+06
assign (segid "   A" and resid   50 and name   HA) (segid "   A" and resid   20 and name  HB2) 2.643 0.873 0.873 weight 1.000 ! spec=13C_..._new, no=603, id=570, vol=1.098809e+06
assign (segid "   A" and resid   50 and name   HA) (segid "   A" and resid   50 and name  HB1) 2.016 0.508 0.508 weight 1.000 ! spec=13C_..._new, no=604, id=571, vol=5.824181e+06
    or (segid "   A" and resid   50 and name   HA) (segid "   A" and resid   50 and name  HB2)
    or (segid "   A" and resid   50 and name   HA) (segid "   A" and resid   50 and name  HB3)
assign (segid "   A" and resid   50 and name  HB1) (segid "   A" and resid   50 and name   HN) 2.213 0.612 0.612 weight 1.000 ! spec=13C_..._new, no=607, id=574, vol=2.458194e+06
    or (segid "   A" and resid   50 and name  HB2) (segid "   A" and resid   50 and name   HN)
    or (segid "   A" and resid   50 and name  HB3) (segid "   A" and resid   50 and name   HN)
assign (segid "   A" and resid   85 and name  HB1) (segid "   A" and resid   97 and name HE22) 2.284 0.652 0.652 weight 1.000 ! spec=13C_..._new, no=608, id=575, vol=2.311802e+06
    or (segid "   A" and resid   85 and name  HB2) (segid "   A" and resid   97 and name HE22)
    or (segid "   A" and resid   85 and name  HB3) (segid "   A" and resid   97 and name HE22)
assign (segid "   A" and resid   85 and name  HB1) (segid "   A" and resid   84 and name HG11) 2.258 0.637 0.637 weight 1.000 ! spec=13C_..._new, no=610, id=577, vol=2.446862e+06
    or (segid "   A" and resid   85 and name  HB1) (segid "   A" and resid   84 and name HG12)
    or (segid "   A" and resid   85 and name  HB1) (segid "   A" and resid   84 and name HG13)
    or (segid "   A" and resid   85 and name  HB2) (segid "   A" and resid   84 and name HG11)
    or (segid "   A" and resid   85 and name  HB2) (segid "   A" and resid   84 and name HG12)
    or (segid "   A" and resid   85 and name  HB2) (segid "   A" and resid   84 and name HG13)
    or (segid "   A" and resid   85 and name  HB3) (segid "   A" and resid   84 and name HG11)
    or (segid "   A" and resid   85 and name  HB3) (segid "   A" and resid   84 and name HG12)
    or (segid "   A" and resid   85 and name  HB3) (segid "   A" and resid   84 and name HG13)
assign (segid "   A" and resid   50 and name  HB1) (segid "   A" and resid   22 and name HG11) 2.526 0.798 0.798 weight 1.000 ! spec=13C_..._new, no=611, id=578, vol=1.293960e+06
    or (segid "   A" and resid   50 and name  HB1) (segid "   A" and resid   22 and name HG13)
    or (segid "   A" and resid   50 and name  HB1) (segid "   A" and resid   22 and name HG12)
    or (segid "   A" and resid   50 and name  HB2) (segid "   A" and resid   22 and name HG11)
    or (segid "   A" and resid   50 and name  HB2) (segid "   A" and resid   22 and name HG13)
    or (segid "   A" and resid   50 and name  HB2) (segid "   A" and resid   22 and name HG12)
    or (segid "   A" and resid   50 and name  HB3) (segid "   A" and resid   22 and name HG11)
    or (segid "   A" and resid   50 and name  HB3) (segid "   A" and resid   22 and name HG13)
    or (segid "   A" and resid   50 and name  HB3) (segid "   A" and resid   22 and name HG12)
assign (segid "   A" and resid   50 and name  HB1) (segid "   A" and resid   99 and name HD13) 2.788 0.971 0.971 weight 1.000 ! spec=13C_..._new, no=612, id=579, vol=3.830246e+05
    or (segid "   A" and resid   50 and name  HB1) (segid "   A" and resid   99 and name HD11)
    or (segid "   A" and resid   50 and name  HB1) (segid "   A" and resid   99 and name HD12)
    or (segid "   A" and resid   50 and name  HB2) (segid "   A" and resid   99 and name HD13)
    or (segid "   A" and resid   50 and name  HB2) (segid "   A" and resid   99 and name HD11)
    or (segid "   A" and resid   50 and name  HB2) (segid "   A" and resid   99 and name HD12)
    or (segid "   A" and resid   50 and name  HB3) (segid "   A" and resid   99 and name HD13)
    or (segid "   A" and resid   50 and name  HB3) (segid "   A" and resid   99 and name HD11)
    or (segid "   A" and resid   50 and name  HB3) (segid "   A" and resid   99 and name HD12)
assign (segid "   A" and resid   51 and name   HA) (segid "   A" and resid   51 and name  HB2) 2.303 0.663 0.663 weight 1.000 ! spec=13C_..._new, no=613, id=580, vol=2.424372e+06
assign (segid "   A" and resid   51 and name   HA) (segid "   A" and resid   47 and name  HD2) 2.810 0.987 0.987 weight 1.000 ! spec=13C_..._new, no=614, id=581, vol=7.081521e+05
    or (segid "   A" and resid   51 and name   HA) (segid "   A" and resid   47 and name  HD1)
assign (segid "   A" and resid   51 and name   HA) (segid "   A" and resid   51 and name   HN) 2.522 0.795 0.795 weight 1.000 ! spec=13C_..._new, no=615, id=582, vol=1.468421e+06
assign (segid "   A" and resid   51 and name   HA) (segid "   A" and resid   52 and name   HN) 1.989 0.495 0.495 weight 1.000 ! spec=13C_..._new, no=616, id=583, vol=5.830963e+06
assign (segid "   A" and resid   51 and name  HB1) (segid "   A" and resid   53 and name  HE1) 2.757 0.950 0.950 weight 1.000 ! spec=13C_..._new, no=617, id=584, vol=8.949695e+05
    or (segid "   A" and resid   51 and name  HB1) (segid "   A" and resid   53 and name  HE2)
assign (segid "   A" and resid   51 and name  HB1) (segid "   A" and resid   51 and name   HA) 2.739 0.938 0.938 weight 1.000 ! spec=13C_..._new, no=618, id=585, vol=9.097772e+05
assign (segid "   A" and resid   51 and name  HB2) (segid "   A" and resid   21 and name HG12) 2.673 0.893 0.893 weight 1.000 ! spec=13C_..._new, no=620, id=587, vol=9.923981e+05
    or (segid "   A" and resid   51 and name  HB2) (segid "   A" and resid   21 and name HG11)
    or (segid "   A" and resid   51 and name  HB2) (segid "   A" and resid   21 and name HG13)
assign (segid "   A" and resid   51 and name  HB1) (segid "   A" and resid   51 and name  HB2) 1.843 0.425 0.425 weight 1.000 ! spec=13C_..._new, no=621, id=588, vol=9.834438e+06
assign (segid "   A" and resid   51 and name  HB2) (segid "   A" and resid   53 and name  HE1) 2.747 0.943 0.943 weight 1.000 ! spec=13C_..._new, no=624, id=590, vol=8.831497e+05
    or (segid "   A" and resid   51 and name  HB2) (segid "   A" and resid   53 and name  HE2)
assign (segid "   A" and resid   51 and name  HB2) (segid "   A" and resid   51 and name   HN) 2.702 0.913 0.913 weight 1.000 ! spec=13C_..._new, no=625, id=591, vol=9.025845e+05
assign (segid "   A" and resid   52 and name   HA) (segid "   A" and resid   53 and name   HN) 2.033 0.517 0.517 weight 1.000 ! spec=13C_..._new, no=626, id=592, vol=5.279988e+06
assign (segid "   A" and resid   52 and name   HA) (segid "   A" and resid   52 and name   HN) 2.403 0.722 0.722 weight 1.000 ! spec=13C_..._new, no=627, id=593, vol=1.990579e+06
assign (segid "   A" and resid   52 and name   HA) (segid "   A" and resid   47 and name  HD2) 2.807 0.985 0.985 weight 1.000 ! spec=13C_..._new, no=628, id=594, vol=7.128016e+05
    or (segid "   A" and resid   52 and name   HA) (segid "   A" and resid   47 and name  HD1)
assign (segid "   A" and resid   52 and name   HA) (segid "   A" and resid   52 and name  HB2) 2.927 1.071 1.071 weight 1.000 ! spec=13C_..._new, no=629, id=595, vol=6.956428e+05
assign (segid "   A" and resid   52 and name   HA) (segid "   A" and resid   52 and name  HB1) 2.513 0.789 0.789 weight 1.000 ! spec=13C_..._new, no=630, id=596, vol=1.506494e+06
assign (segid "   A" and resid   52 and name   HA) (segid "   A" and resid   22 and name HG23) 2.942 1.082 1.082 weight 1.000 ! spec=13C_..._new, no=632, id=598, vol=6.210774e+05
    or (segid "   A" and resid   52 and name   HA) (segid "   A" and resid   22 and name HG21)
    or (segid "   A" and resid   52 and name   HA) (segid "   A" and resid   22 and name HG22)
assign (segid "   A" and resid   52 and name  HB1) (segid "   A" and resid   52 and name  HB2) 2.286 0.653 0.653 weight 1.000 ! spec=13C_..._new, no=633, id=599, vol=2.834526e+06
assign (segid "   A" and resid   52 and name  HB2) (segid "   A" and resid   47 and name  HD2) 2.864 1.025 1.025 weight 1.000 ! spec=13C_..._new, no=637, id=603, vol=6.785758e+05
    or (segid "   A" and resid   52 and name  HB2) (segid "   A" and resid   47 and name  HD1)
assign (segid "   A" and resid   53 and name   HA) (segid "   A" and resid   53 and name  HB2) 2.336 0.682 0.682 weight 1.000 ! spec=13C_..._new, no=640, id=606, vol=2.177600e+06
assign (segid "   A" and resid    2 and name   HA) (segid "   A" and resid   53 and name   HA) 2.913 1.060 1.060 weight 1.000 ! spec=13C_..._new, no=641, id=607, vol=5.764586e+05
assign (segid "   A" and resid   53 and name   HA) (segid "   A" and resid   53 and name  HD1) 2.594 0.841 0.841 weight 1.000 ! spec=13C_..._new, no=642, id=608, vol=1.033974e+06
    or (segid "   A" and resid   53 and name   HA) (segid "   A" and resid   53 and name  HD2)
assign (segid "   A" and resid   53 and name   HA) (segid "   A" and resid    3 and name   HN) 2.314 0.669 0.669 weight 1.000 ! spec=13C_..._new, no=643, id=609, vol=2.223604e+06
assign (segid "   A" and resid   53 and name   HA) (segid "   A" and resid   54 and name   HN) 2.153 0.579 0.579 weight 1.000 ! spec=13C_..._new, no=644, id=610, vol=3.547954e+06
assign (segid "   A" and resid   53 and name   HA) (segid "   A" and resid   53 and name   HN) 2.812 0.988 0.988 weight 1.000 ! spec=13C_..._new, no=645, id=611, vol=7.862738e+05
assign (segid "   A" and resid   53 and name  HB2) (segid "   A" and resid   23 and name HG21) 2.970 1.102 1.102 weight 1.000 ! spec=13C_..._new, no=647, id=613, vol=4.754634e+05
    or (segid "   A" and resid   53 and name  HB2) (segid "   A" and resid   23 and name HG23)
    or (segid "   A" and resid   53 and name  HB2) (segid "   A" and resid   23 and name HG22)
assign (segid "   A" and resid   75 and name   HA) (segid "   A" and resid   24 and name  HB1) 2.298 0.660 0.660 weight 1.000 ! spec=13C_..._new, no=652, id=618, vol=2.570942e+06
    or (segid "   A" and resid   75 and name   HA) (segid "   A" and resid   24 and name  HB2)
    or (segid "   A" and resid   75 and name   HA) (segid "   A" and resid   24 and name  HB3)
assign (segid "   A" and resid   54 and name   HA) (segid "   A" and resid   54 and name  HB1) 2.337 0.683 0.683 weight 1.000 ! spec=13C_..._new, no=653, id=619, vol=2.282322e+06
assign (segid "   A" and resid   75 and name   HA) (segid "   A" and resid   75 and name  HB2) 2.191 0.600 0.600 weight 1.000 ! spec=13C_..._new, no=654, id=620, vol=3.501932e+06
assign (segid "   A" and resid   54 and name   HA) (segid "   A" and resid   55 and name   HN) 2.140 0.573 0.573 weight 1.000 ! spec=13C_..._new, no=655, id=621, vol=3.930699e+06
assign (segid "   A" and resid   75 and name   HA) (segid "   A" and resid   76 and name   HN) 2.014 0.507 0.507 weight 1.000 ! spec=13C_..._new, no=657, id=623, vol=5.771056e+06
assign (segid "   A" and resid   79 and name  HB2) (segid "   A" and resid   79 and name   HA) 2.735 0.935 0.935 weight 1.000 ! spec=13C_..._new, no=660, id=626, vol=8.920536e+05
assign (segid "   A" and resid   79 and name  HB2) (segid "   A" and resid   79 and name  HG1) 2.726 0.929 0.929 weight 1.000 ! spec=13C_..._new, no=663, id=629, vol=8.022234e+05
assign (segid "   A" and resid   79 and name  HB2) (segid "   A" and resid   84 and name HG22) 2.662 0.886 0.886 weight 1.000 ! spec=13C_..._new, no=664, id=630, vol=1.148082e+06
    or (segid "   A" and resid   79 and name  HB2) (segid "   A" and resid   84 and name HG21)
    or (segid "   A" and resid   79 and name  HB2) (segid "   A" and resid   84 and name HG23)
assign (segid "   A" and resid   54 and name  HE2) (segid "   A" and resid   40 and name HG22) 2.290 0.656 0.656 weight 1.000 ! spec=13C_..._new, no=667, id=633, vol=2.314497e+06
    or (segid "   A" and resid   54 and name  HE2) (segid "   A" and resid   40 and name HG21)
    or (segid "   A" and resid   54 and name  HE2) (segid "   A" and resid   40 and name HG23)
assign (segid "   A" and resid   60 and name  HB1) (segid "   A" and resid   55 and name  HB2) 2.499 0.781 0.781 weight 1.000 ! spec=13C_..._new, no=668, id=634, vol=1.368968e+06
assign (segid "   A" and resid   60 and name  HB1) (segid "   A" and resid   60 and name   HG) 2.377 0.706 0.706 weight 1.000 ! spec=13C_..._new, no=669, id=635, vol=1.845917e+06
assign (segid "   A" and resid   54 and name  HE2) (segid "   A" and resid    2 and name   HB) 2.797 0.978 0.978 weight 1.000 ! spec=13C_..._new, no=672, id=638, vol=7.250125e+05
assign (segid "   A" and resid   55 and name   HA) (segid "   A" and resid   55 and name HD11) 2.519 0.793 0.793 weight 1.000 ! spec=13C_..._new, no=673, id=639, vol=1.269041e+06
    or (segid "   A" and resid   55 and name   HA) (segid "   A" and resid   55 and name HD12)
    or (segid "   A" and resid   55 and name   HA) (segid "   A" and resid   55 and name HD13)
assign (segid "   A" and resid   55 and name   HA) (segid "   A" and resid   55 and name   HG) 2.524 0.796 0.796 weight 1.000 ! spec=13C_..._new, no=674, id=640, vol=1.299260e+06
assign (segid "   A" and resid   55 and name   HA) (segid "   A" and resid   55 and name  HB1) 2.434 0.740 0.740 weight 1.000 ! spec=13C_..._new, no=675, id=641, vol=1.599255e+06
assign (segid "   A" and resid   55 and name   HA) (segid "   A" and resid   56 and name   HN) 2.129 0.567 0.567 weight 1.000 ! spec=13C_..._new, no=676, id=642, vol=3.638964e+06
assign (segid "   A" and resid   55 and name  HB1) (segid "   A" and resid   55 and name HD11) 1.914 0.458 0.458 weight 1.000 ! spec=13C_..._new, no=683, id=649, vol=7.166652e+06
    or (segid "   A" and resid   55 and name  HB1) (segid "   A" and resid   55 and name HD12)
    or (segid "   A" and resid   55 and name  HB1) (segid "   A" and resid   55 and name HD13)
assign (segid "   A" and resid   55 and name HD11) (segid "   A" and resid    5 and name  HB1) 2.801 0.980 0.980 weight 1.000 ! spec=13C_..._new, no=685, id=651, vol=4.794903e+05
    or (segid "   A" and resid   55 and name HD12) (segid "   A" and resid    5 and name  HB1)
    or (segid "   A" and resid   55 and name HD13) (segid "   A" and resid    5 and name  HB1)
assign (segid "   A" and resid    5 and name  HB2) (segid "   A" and resid   55 and name HD11) 2.524 0.796 0.796 weight 1.000 ! spec=13C_..._new, no=686, id=652, vol=1.034126e+06
    or (segid "   A" and resid    5 and name  HB2) (segid "   A" and resid   55 and name HD12)
    or (segid "   A" and resid    5 and name  HB2) (segid "   A" and resid   55 and name HD13)
assign (segid "   A" and resid   55 and name HD11) (segid "   A" and resid   60 and name  HB1) 2.758 0.951 0.951 weight 1.000 ! spec=13C_..._new, no=691, id=657, vol=6.462623e+05
    or (segid "   A" and resid   55 and name HD12) (segid "   A" and resid   60 and name  HB1)
    or (segid "   A" and resid   55 and name HD13) (segid "   A" and resid   60 and name  HB1)
assign (segid "   A" and resid   55 and name HD11) (segid "   A" and resid   55 and name   HG) 1.789 0.400 0.400 weight 1.000 ! spec=13C_..._new, no=692, id=658, vol=8.252072e+06
    or (segid "   A" and resid   55 and name HD12) (segid "   A" and resid   55 and name   HG)
    or (segid "   A" and resid   55 and name HD13) (segid "   A" and resid   55 and name   HG)
assign (segid "   A" and resid   55 and name HD11) (segid "   A" and resid   55 and name HD22) 2.015 0.508 0.508 weight 1.000 ! spec=13C_..._new, no=693, id=659, vol=4.636150e+06
    or (segid "   A" and resid   55 and name HD11) (segid "   A" and resid   55 and name HD21)
    or (segid "   A" and resid   55 and name HD11) (segid "   A" and resid   55 and name HD23)
    or (segid "   A" and resid   55 and name HD12) (segid "   A" and resid   55 and name HD22)
    or (segid "   A" and resid   55 and name HD12) (segid "   A" and resid   55 and name HD21)
    or (segid "   A" and resid   55 and name HD12) (segid "   A" and resid   55 and name HD23)
    or (segid "   A" and resid   55 and name HD13) (segid "   A" and resid   55 and name HD22)
    or (segid "   A" and resid   55 and name HD13) (segid "   A" and resid   55 and name HD21)
    or (segid "   A" and resid   55 and name HD13) (segid "   A" and resid   55 and name HD23)
assign (segid "   A" and resid   55 and name HD11) (segid "   A" and resid   23 and name HG21) 2.562 0.821 0.821 weight 1.000 ! spec=13C_..._new, no=694, id=660, vol=8.786876e+05
    or (segid "   A" and resid   55 and name HD11) (segid "   A" and resid   23 and name HG23)
    or (segid "   A" and resid   55 and name HD11) (segid "   A" and resid   23 and name HG22)
    or (segid "   A" and resid   55 and name HD12) (segid "   A" and resid   23 and name HG21)
    or (segid "   A" and resid   55 and name HD12) (segid "   A" and resid   23 and name HG23)
    or (segid "   A" and resid   55 and name HD12) (segid "   A" and resid   23 and name HG22)
    or (segid "   A" and resid   55 and name HD13) (segid "   A" and resid   23 and name HG21)
    or (segid "   A" and resid   55 and name HD13) (segid "   A" and resid   23 and name HG23)
    or (segid "   A" and resid   55 and name HD13) (segid "   A" and resid   23 and name HG22)
assign (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   56 and name   HA) 2.612 0.853 0.853 weight 1.000 ! spec=13C_..._new, no=696, id=662, vol=8.591955e+05
assign (segid "   A" and resid  101 and name   HA) (segid "   A" and resid  101 and name   HN) 2.237 0.626 0.626 weight 1.000 ! spec=13C_..._new, no=697, id=663, vol=2.970603e+06
assign (segid "   A" and resid  101 and name   HA) (segid "   A" and resid  102 and name   HN) 2.713 0.920 0.920 weight 1.000 ! spec=13C_..._new, no=698, id=664, vol=9.463383e+05
assign (segid "   A" and resid   56 and name  HB1) (segid "   A" and resid   56 and name  HB2) 2.180 0.594 0.594 weight 1.000 ! spec=13C_..._new, no=700, id=666, vol=3.780015e+06
assign (segid "   A" and resid   57 and name   HA) (segid "   A" and resid   57 and name   HB) 2.103 0.553 0.553 weight 1.000 ! spec=13C_..._new, no=702, id=668, vol=4.002028e+06
assign (segid "   A" and resid   57 and name   HA) (segid "   A" and resid   57 and name HG23) 2.180 0.594 0.594 weight 1.000 ! spec=13C_..._new, no=703, id=669, vol=3.481908e+06
    or (segid "   A" and resid   57 and name   HA) (segid "   A" and resid   57 and name HG21)
    or (segid "   A" and resid   57 and name   HA) (segid "   A" and resid   57 and name HG22)
assign (segid "   A" and resid   57 and name   HA) (segid "   A" and resid   60 and name  HB2) 2.634 0.867 0.867 weight 1.000 ! spec=13C_..._new, no=705, id=671, vol=1.074340e+06
assign (segid "   A" and resid   57 and name   HA) (segid "   A" and resid   57 and name   HN) 2.421 0.733 0.733 weight 1.000 ! spec=13C_..._new, no=706, id=672, vol=1.844680e+06
assign (segid "   A" and resid   57 and name   HA) (segid "   A" and resid   60 and name   HN) 2.629 0.864 0.864 weight 1.000 ! spec=13C_..._new, no=707, id=673, vol=1.074016e+06
assign (segid "   A" and resid   27 and name  HB1) (segid "   A" and resid   57 and name HG11) 2.247 0.631 0.631 weight 1.000 ! spec=13C_..._new, no=708, id=674, vol=2.204544e+06
    or (segid "   A" and resid   27 and name  HB1) (segid "   A" and resid   57 and name HG12)
    or (segid "   A" and resid   27 and name  HB1) (segid "   A" and resid   57 and name HG13)
    or (segid "   A" and resid   27 and name  HB3) (segid "   A" and resid   57 and name HG11)
    or (segid "   A" and resid   27 and name  HB3) (segid "   A" and resid   57 and name HG12)
    or (segid "   A" and resid   27 and name  HB3) (segid "   A" and resid   57 and name HG13)
    or (segid "   A" and resid   27 and name  HB2) (segid "   A" and resid   57 and name HG11)
    or (segid "   A" and resid   27 and name  HB2) (segid "   A" and resid   57 and name HG12)
    or (segid "   A" and resid   27 and name  HB2) (segid "   A" and resid   57 and name HG13)
assign (segid "   A" and resid   57 and name HG11) (segid "   A" and resid   57 and name   HB) 2.063 0.532 0.532 weight 1.000 ! spec=13C_..._new, no=710, id=675, vol=4.079864e+06
    or (segid "   A" and resid   57 and name HG12) (segid "   A" and resid   57 and name   HB)
    or (segid "   A" and resid   57 and name HG13) (segid "   A" and resid   57 and name   HB)
assign (segid "   A" and resid   57 and name HG11) (segid "   A" and resid   58 and name  HB2) 2.587 0.837 0.837 weight 1.000 ! spec=13C_..._new, no=711, id=676, vol=4.236428e+05
    or (segid "   A" and resid   57 and name HG12) (segid "   A" and resid   58 and name  HB2)
    or (segid "   A" and resid   57 and name HG13) (segid "   A" and resid   58 and name  HB2)
assign (segid "   A" and resid   57 and name HG11) (segid "   A" and resid   57 and name   HA) 2.747 0.943 0.943 weight 1.000 ! spec=13C_..._new, no=712, id=677, vol=8.552328e+05
    or (segid "   A" and resid   57 and name HG12) (segid "   A" and resid   57 and name   HA)
    or (segid "   A" and resid   57 and name HG13) (segid "   A" and resid   57 and name   HA)
assign (segid "   A" and resid   57 and name HG11) (segid "   A" and resid   29 and name  HZ2) 2.371 0.702 0.702 weight 1.000 ! spec=13C_..._new, no=713, id=678, vol=2.023086e+06
    or (segid "   A" and resid   57 and name HG12) (segid "   A" and resid   29 and name  HZ2)
    or (segid "   A" and resid   57 and name HG13) (segid "   A" and resid   29 and name  HZ2)
assign (segid "   A" and resid   57 and name HG23) (segid "   A" and resid   57 and name   HB) 2.105 0.554 0.554 weight 1.000 ! spec=13C_..._new, no=718, id=682, vol=3.828407e+06
    or (segid "   A" and resid   57 and name HG21) (segid "   A" and resid   57 and name   HB)
    or (segid "   A" and resid   57 and name HG22) (segid "   A" and resid   57 and name   HB)
assign (segid "   A" and resid   25 and name  HB1) (segid "   A" and resid   57 and name HG23) 2.526 0.798 0.798 weight 1.000 ! spec=13C_..._new, no=719, id=683, vol=1.279549e+06
    or (segid "   A" and resid   25 and name  HB1) (segid "   A" and resid   57 and name HG21)
    or (segid "   A" and resid   25 and name  HB1) (segid "   A" and resid   57 and name HG22)
assign (segid "   A" and resid   57 and name HG23) (segid "   A" and resid   61 and name  HA1) 2.763 0.955 0.955 weight 1.000 ! spec=13C_..._new, no=721, id=685, vol=3.563082e+05
    or (segid "   A" and resid   57 and name HG21) (segid "   A" and resid   61 and name  HA1)
    or (segid "   A" and resid   57 and name HG22) (segid "   A" and resid   61 and name  HA1)
assign (segid "   A" and resid   57 and name HG23) (segid "   A" and resid   25 and name  HD1) 2.228 0.621 0.621 weight 1.000 ! spec=13C_..._new, no=722, id=686, vol=2.348231e+06
    or (segid "   A" and resid   57 and name HG23) (segid "   A" and resid   25 and name  HD2)
    or (segid "   A" and resid   57 and name HG21) (segid "   A" and resid   25 and name  HD1)
    or (segid "   A" and resid   57 and name HG21) (segid "   A" and resid   25 and name  HD2)
    or (segid "   A" and resid   57 and name HG22) (segid "   A" and resid   25 and name  HD1)
    or (segid "   A" and resid   57 and name HG22) (segid "   A" and resid   25 and name  HD2)
assign (segid "   A" and resid   72 and name   HA) (segid "   A" and resid   72 and name  HB2) 2.272 0.645 0.645 weight 1.000 ! spec=13C_..._new, no=724, id=688, vol=2.653472e+06
assign (segid "   A" and resid   79 and name   HA) (segid "   A" and resid   79 and name  HG1) 2.449 0.750 0.750 weight 1.000 ! spec=13C_..._new, no=725, id=689, vol=1.701196e+06
assign (segid "   A" and resid   79 and name   HA) (segid "   A" and resid   80 and name   HN) 2.145 0.575 0.575 weight 1.000 ! spec=13C_..._new, no=726, id=690, vol=3.472971e+06
assign (segid "   A" and resid   58 and name  HB2) (segid "   A" and resid   59 and name   HN) 2.852 1.016 1.016 weight 1.000 ! spec=13C_..._new, no=727, id=691, vol=7.525081e+05
assign (segid "   A" and resid   59 and name   HA) (segid "   A" and resid   59 and name   HN) 2.393 0.716 0.716 weight 1.000 ! spec=13C_..._new, no=729, id=693, vol=2.113385e+06
assign (segid "   A" and resid   59 and name   HA) (segid "   A" and resid   59 and name  HB1) 2.545 0.810 0.810 weight 1.000 ! spec=13C_..._new, no=733, id=697, vol=1.348184e+06
assign (segid "   A" and resid   60 and name   HA) (segid "   A" and resid   60 and name  HB2) 2.197 0.604 0.604 weight 1.000 ! spec=13C_..._new, no=737, id=701, vol=3.164296e+06
assign (segid "   A" and resid   60 and name   HA) (segid "   A" and resid   60 and name   HN) 2.619 0.857 0.857 weight 1.000 ! spec=13C_..._new, no=738, id=702, vol=1.044870e+06
assign (segid "   A" and resid   60 and name   HA) (segid "   A" and resid   61 and name   HN) 2.348 0.689 0.689 weight 1.000 ! spec=13C_..._new, no=739, id=703, vol=2.149175e+06
assign (segid "   A" and resid   60 and name  HB2) (segid "   A" and resid   60 and name   HN) 2.968 1.101 1.101 weight 1.000 ! spec=13C_..._new, no=740, id=704, vol=5.281429e+05
assign (segid "   A" and resid   60 and name  HB2) (segid "   A" and resid   60 and name HD13) 2.387 0.712 0.712 weight 1.000 ! spec=13C_..._new, no=742, id=706, vol=1.964685e+06
    or (segid "   A" and resid   60 and name  HB2) (segid "   A" and resid   60 and name HD11)
    or (segid "   A" and resid   60 and name  HB2) (segid "   A" and resid   60 and name HD12)
assign (segid "   A" and resid   60 and name  HB2) (segid "   A" and resid   63 and name   HB) 2.975 1.107 1.107 weight 1.000 ! spec=13C_..._new, no=743, id=707, vol=4.954256e+05
assign (segid "   A" and resid   20 and name HD21) (segid "   A" and resid   21 and name   HN) 2.777 0.964 0.964 weight 1.000 ! spec=13C_..._new, no=744, id=708, vol=3.308511e+05
    or (segid "   A" and resid   20 and name HD22) (segid "   A" and resid   21 and name   HN)
    or (segid "   A" and resid   20 and name HD23) (segid "   A" and resid   21 and name   HN)
assign (segid "   A" and resid   77 and name   HG) (segid "   A" and resid   76 and name   HA) 2.715 0.921 0.921 weight 1.000 ! spec=13C_..._new, no=750, id=714, vol=7.162063e+05
assign (segid "   A" and resid   60 and name   HG) (segid "   A" and resid   63 and name HG12) 2.374 0.705 0.705 weight 1.000 ! spec=13C_..._new, no=752, id=716, vol=1.452267e+06
    or (segid "   A" and resid   60 and name   HG) (segid "   A" and resid   63 and name HG11)
    or (segid "   A" and resid   60 and name   HG) (segid "   A" and resid   63 and name HG13)
assign (segid "   A" and resid   61 and name  HA1) (segid "   A" and resid   61 and name  HA2) 1.959 0.480 0.480 weight 1.000 ! spec=13C_..._new, no=753, id=717, vol=6.368856e+06
assign (segid "   A" and resid   61 and name  HA1) (segid "   A" and resid   61 and name   HN) 2.445 0.747 0.747 weight 1.000 ! spec=13C_..._new, no=754, id=718, vol=1.646751e+06
assign (segid "   A" and resid   61 and name  HA1) (segid "   A" and resid   64 and name  HB3) 2.889 1.043 1.043 weight 1.000 ! spec=13C_..._new, no=755, id=719, vol=5.593497e+05
    or (segid "   A" and resid   61 and name  HA1) (segid "   A" and resid   64 and name  HB1)
    or (segid "   A" and resid   61 and name  HA1) (segid "   A" and resid   64 and name  HB2)
assign (segid "   A" and resid   61 and name  HA2) (segid "   A" and resid   64 and name  HB3) 2.844 1.011 1.011 weight 1.000 ! spec=13C_..._new, no=759, id=721, vol=6.857752e+05
    or (segid "   A" and resid   61 and name  HA2) (segid "   A" and resid   64 and name  HB1)
    or (segid "   A" and resid   61 and name  HA2) (segid "   A" and resid   64 and name  HB2)
assign (segid "   A" and resid   65 and name  HB2) (segid "   A" and resid   62 and name   HA) 2.152 0.579 0.579 weight 1.000 ! spec=13C_..._new, no=760, id=722, vol=3.482304e+06
assign (segid "   A" and resid   62 and name   HA) (segid "   A" and resid   62 and name  HB1) 2.017 0.508 0.508 weight 1.000 ! spec=13C_..._new, no=761, id=723, vol=5.322957e+06
assign (segid "   A" and resid   62 and name   HA) (segid "   A" and resid   63 and name   HN) 2.692 0.906 0.906 weight 1.000 ! spec=13C_..._new, no=763, id=725, vol=8.240146e+05
assign (segid "   A" and resid   62 and name   HA) (segid "   A" and resid   62 and name   HN) 2.745 0.942 0.942 weight 1.000 ! spec=13C_..._new, no=765, id=727, vol=6.570538e+05
assign (segid "   A" and resid   91 and name  HB1) (segid "   A" and resid   91 and name  HB2) 1.963 0.482 0.482 weight 1.000 ! spec=13C_..._new, no=767, id=729, vol=6.561876e+06
assign (segid "   A" and resid   62 and name  HB1) (segid "   A" and resid   62 and name   HN) 2.973 1.105 1.105 weight 1.000 ! spec=13C_..._new, no=770, id=732, vol=4.410093e+05
assign (segid "   A" and resid   63 and name   HA) (segid "   A" and resid   66 and name   HN) 2.868 1.028 1.028 weight 1.000 ! spec=13C_..._new, no=771, id=733, vol=6.764132e+05
assign (segid "   A" and resid   63 and name   HA) (segid "   A" and resid   67 and name HD21) 2.769 0.958 0.958 weight 1.000 ! spec=13C_..._new, no=772, id=734, vol=6.038734e+05
assign (segid "   A" and resid   63 and name   HA) (segid "   A" and resid   63 and name   HN) 2.366 0.700 0.700 weight 1.000 ! spec=13C_..._new, no=773, id=735, vol=2.239127e+06
assign (segid "   A" and resid   63 and name   HA) (segid "   A" and resid   63 and name   HB) 2.275 0.647 0.647 weight 1.000 ! spec=13C_..._new, no=774, id=736, vol=2.798747e+06
assign (segid "   A" and resid   63 and name   HA) (segid "   A" and resid   66 and name  HG1) 2.532 0.801 0.801 weight 1.000 ! spec=13C_..._new, no=775, id=737, vol=1.465236e+06
assign (segid "   A" and resid   63 and name   HA) (segid "   A" and resid   63 and name HG21) 2.168 0.588 0.588 weight 1.000 ! spec=13C_..._new, no=777, id=739, vol=3.625476e+06
    or (segid "   A" and resid   63 and name   HA) (segid "   A" and resid   63 and name HG23)
    or (segid "   A" and resid   63 and name   HA) (segid "   A" and resid   63 and name HG22)
assign (segid "   A" and resid   63 and name   HB) (segid "   A" and resid   60 and name HD13) 2.319 0.672 0.672 weight 1.000 ! spec=13C_..._new, no=781, id=743, vol=2.847834e+06
    or (segid "   A" and resid   63 and name   HB) (segid "   A" and resid   60 and name HD11)
    or (segid "   A" and resid   63 and name   HB) (segid "   A" and resid   60 and name HD12)
assign (segid "   A" and resid   63 and name HG21) (segid "   A" and resid   63 and name HG12) 1.924 0.463 0.463 weight 1.000 ! spec=13C_..._new, no=783, id=745, vol=6.379688e+06
    or (segid "   A" and resid   63 and name HG21) (segid "   A" and resid   63 and name HG11)
    or (segid "   A" and resid   63 and name HG21) (segid "   A" and resid   63 and name HG13)
    or (segid "   A" and resid   63 and name HG23) (segid "   A" and resid   63 and name HG12)
    or (segid "   A" and resid   63 and name HG23) (segid "   A" and resid   63 and name HG11)
    or (segid "   A" and resid   63 and name HG23) (segid "   A" and resid   63 and name HG13)
    or (segid "   A" and resid   63 and name HG22) (segid "   A" and resid   63 and name HG12)
    or (segid "   A" and resid   63 and name HG22) (segid "   A" and resid   63 and name HG11)
    or (segid "   A" and resid   63 and name HG22) (segid "   A" and resid   63 and name HG13)
assign (segid "   A" and resid   63 and name   HB) (segid "   A" and resid   63 and name HG21) 2.116 0.559 0.559 weight 1.000 ! spec=13C_..._new, no=785, id=747, vol=3.616558e+06
    or (segid "   A" and resid   63 and name   HB) (segid "   A" and resid   63 and name HG23)
    or (segid "   A" and resid   63 and name   HB) (segid "   A" and resid   63 and name HG22)
assign (segid "   A" and resid   63 and name HG21) (segid "   A" and resid   11 and name  HB1) 2.817 0.992 0.992 weight 1.000 ! spec=13C_..._new, no=786, id=748, vol=3.569316e+05
    or (segid "   A" and resid   63 and name HG23) (segid "   A" and resid   11 and name  HB1)
    or (segid "   A" and resid   63 and name HG22) (segid "   A" and resid   11 and name  HB1)
assign (segid "   A" and resid   63 and name HG21) (segid "   A" and resid    8 and name   HA) 2.918 1.064 1.064 weight 1.000 ! spec=13C_..._new, no=788, id=750, vol=4.422734e+05
    or (segid "   A" and resid   63 and name HG23) (segid "   A" and resid    8 and name   HA)
    or (segid "   A" and resid   63 and name HG22) (segid "   A" and resid    8 and name   HA)
assign (segid "   A" and resid   63 and name HG21) (segid "   A" and resid   11 and name  HD1) 2.741 0.939 0.939 weight 1.000 ! spec=13C_..._new, no=789, id=751, vol=6.627618e+05
    or (segid "   A" and resid   63 and name HG21) (segid "   A" and resid   11 and name  HD2)
    or (segid "   A" and resid   63 and name HG23) (segid "   A" and resid   11 and name  HD1)
    or (segid "   A" and resid   63 and name HG23) (segid "   A" and resid   11 and name  HD2)
    or (segid "   A" and resid   63 and name HG22) (segid "   A" and resid   11 and name  HD1)
    or (segid "   A" and resid   63 and name HG22) (segid "   A" and resid   11 and name  HD2)
assign (segid "   A" and resid   63 and name HG21) (segid "   A" and resid   64 and name   HN) 2.513 0.789 0.789 weight 1.000 ! spec=13C_..._new, no=790, id=752, vol=1.371832e+06
    or (segid "   A" and resid   63 and name HG23) (segid "   A" and resid   64 and name   HN)
    or (segid "   A" and resid   63 and name HG22) (segid "   A" and resid   64 and name   HN)
assign (segid "   A" and resid   63 and name HG21) (segid "   A" and resid   67 and name HD21) 2.353 0.692 0.692 weight 1.000 ! spec=13C_..._new, no=791, id=753, vol=1.738221e+06
    or (segid "   A" and resid   63 and name HG23) (segid "   A" and resid   67 and name HD21)
    or (segid "   A" and resid   63 and name HG22) (segid "   A" and resid   67 and name HD21)
assign (segid "   A" and resid   64 and name   HA) (segid "   A" and resid   69 and name HG21) 2.521 0.794 0.794 weight 1.000 ! spec=13C_..._new, no=792, id=754, vol=1.393073e+06
    or (segid "   A" and resid   64 and name   HA) (segid "   A" and resid   69 and name HG22)
    or (segid "   A" and resid   64 and name   HA) (segid "   A" and resid   69 and name HG23)
assign (segid "   A" and resid   64 and name   HA) (segid "   A" and resid   69 and name HG13) 2.898 1.050 1.050 weight 1.000 ! spec=13C_..._new, no=793, id=755, vol=6.629504e+05
    or (segid "   A" and resid   64 and name   HA) (segid "   A" and resid   69 and name HG11)
    or (segid "   A" and resid   64 and name   HA) (segid "   A" and resid   69 and name HG12)
assign (segid "   A" and resid   64 and name   HA) (segid "   A" and resid   67 and name  HB2) 2.751 0.946 0.946 weight 1.000 ! spec=13C_..._new, no=795, id=757, vol=6.687096e+05
assign (segid "   A" and resid   64 and name   HA) (segid "   A" and resid   64 and name   HN) 2.324 0.675 0.675 weight 1.000 ! spec=13C_..._new, no=796, id=758, vol=2.143854e+06
assign (segid "   A" and resid   64 and name  HB3) (segid "   A" and resid   65 and name   HN) 2.227 0.620 0.620 weight 1.000 ! spec=13C_..._new, no=797, id=759, vol=2.744230e+06
    or (segid "   A" and resid   64 and name  HB1) (segid "   A" and resid   65 and name   HN)
    or (segid "   A" and resid   64 and name  HB2) (segid "   A" and resid   65 and name   HN)
assign (segid "   A" and resid   64 and name  HB3) (segid "   A" and resid   64 and name   HN) 1.920 0.461 0.461 weight 1.000 ! spec=13C_..._new, no=798, id=760, vol=6.361258e+06
    or (segid "   A" and resid   64 and name  HB1) (segid "   A" and resid   64 and name   HN)
    or (segid "   A" and resid   64 and name  HB2) (segid "   A" and resid   64 and name   HN)
assign (segid "   A" and resid   64 and name   HA) (segid "   A" and resid   64 and name  HB3) 1.907 0.454 0.454 weight 1.000 ! spec=13C_..._new, no=799, id=761, vol=6.337383e+06
    or (segid "   A" and resid   64 and name   HA) (segid "   A" and resid   64 and name  HB1)
    or (segid "   A" and resid   64 and name   HA) (segid "   A" and resid   64 and name  HB2)
assign (segid "   A" and resid   57 and name HG23) (segid "   A" and resid   64 and name  HB3) 2.018 0.509 0.509 weight 1.000 ! spec=13C_..._new, no=801, id=763, vol=4.656675e+06
    or (segid "   A" and resid   57 and name HG23) (segid "   A" and resid   64 and name  HB1)
    or (segid "   A" and resid   57 and name HG23) (segid "   A" and resid   64 and name  HB2)
    or (segid "   A" and resid   57 and name HG21) (segid "   A" and resid   64 and name  HB3)
    or (segid "   A" and resid   57 and name HG21) (segid "   A" and resid   64 and name  HB1)
    or (segid "   A" and resid   57 and name HG21) (segid "   A" and resid   64 and name  HB2)
    or (segid "   A" and resid   57 and name HG22) (segid "   A" and resid   64 and name  HB3)
    or (segid "   A" and resid   57 and name HG22) (segid "   A" and resid   64 and name  HB1)
    or (segid "   A" and resid   57 and name HG22) (segid "   A" and resid   64 and name  HB2)
assign (segid "   A" and resid   64 and name  HB3) (segid "   A" and resid   69 and name HG13) 2.299 0.661 0.661 weight 1.000 ! spec=13C_..._new, no=802, id=764, vol=2.411628e+06
    or (segid "   A" and resid   64 and name  HB3) (segid "   A" and resid   69 and name HG11)
    or (segid "   A" and resid   64 and name  HB3) (segid "   A" and resid   69 and name HG12)
    or (segid "   A" and resid   64 and name  HB1) (segid "   A" and resid   69 and name HG13)
    or (segid "   A" and resid   64 and name  HB1) (segid "   A" and resid   69 and name HG11)
    or (segid "   A" and resid   64 and name  HB1) (segid "   A" and resid   69 and name HG12)
    or (segid "   A" and resid   64 and name  HB2) (segid "   A" and resid   69 and name HG13)
    or (segid "   A" and resid   64 and name  HB2) (segid "   A" and resid   69 and name HG11)
    or (segid "   A" and resid   64 and name  HB2) (segid "   A" and resid   69 and name HG12)
assign (segid "   A" and resid   64 and name  HB3) (segid "   A" and resid   69 and name HG21) 2.611 0.852 0.852 weight 1.000 ! spec=13C_..._new, no=803, id=765, vol=9.469414e+05
    or (segid "   A" and resid   64 and name  HB3) (segid "   A" and resid   69 and name HG22)
    or (segid "   A" and resid   64 and name  HB3) (segid "   A" and resid   69 and name HG23)
    or (segid "   A" and resid   64 and name  HB1) (segid "   A" and resid   69 and name HG21)
    or (segid "   A" and resid   64 and name  HB1) (segid "   A" and resid   69 and name HG22)
    or (segid "   A" and resid   64 and name  HB1) (segid "   A" and resid   69 and name HG23)
    or (segid "   A" and resid   64 and name  HB2) (segid "   A" and resid   69 and name HG21)
    or (segid "   A" and resid   64 and name  HB2) (segid "   A" and resid   69 and name HG22)
    or (segid "   A" and resid   64 and name  HB2) (segid "   A" and resid   69 and name HG23)
assign (segid "   A" and resid   65 and name  HB2) (segid "   A" and resid   65 and name   HN) 2.292 0.657 0.657 weight 1.000 ! spec=13C_..._new, no=805, id=767, vol=2.595379e+06
assign (segid "   A" and resid    4 and name  HG2) (segid "   A" and resid    3 and name   HA) 2.541 0.807 0.807 weight 1.000 ! spec=13C_..._new, no=808, id=770, vol=1.504721e+06
assign (segid "   A" and resid   66 and name   HA) (segid "   A" and resid   66 and name  HB1) 1.984 0.492 0.492 weight 1.000 ! spec=13C_..._new, no=810, id=771, vol=5.836242e+06
assign (segid "   A" and resid   66 and name   HA) (segid "   A" and resid   67 and name   HN) 2.591 0.839 0.839 weight 1.000 ! spec=13C_..._new, no=811, id=772, vol=9.872318e+05
assign (segid "   A" and resid   66 and name   HA) (segid "   A" and resid   66 and name   HN) 2.145 0.575 0.575 weight 1.000 ! spec=13C_..._new, no=812, id=773, vol=3.487988e+06
assign (segid "   A" and resid   66 and name  HB2) (segid "   A" and resid   66 and name   HA) 2.387 0.712 0.712 weight 1.000 ! spec=13C_..._new, no=814, id=775, vol=1.853372e+06
assign (segid "   A" and resid   66 and name  HB2) (segid "   A" and resid   66 and name  HG1) 2.376 0.705 0.705 weight 1.000 ! spec=13C_..._new, no=815, id=776, vol=2.413019e+06
assign (segid "   A" and resid   66 and name  HB1) (segid "   A" and resid   66 and name   HN) 2.543 0.809 0.809 weight 1.000 ! spec=13C_..._new, no=816, id=777, vol=1.320879e+06
assign (segid "   A" and resid   66 and name  HE2) (segid "   A" and resid    8 and name  HB1) 2.491 0.776 0.776 weight 1.000 ! spec=13C_..._new, no=817, id=778, vol=1.461991e+06
    or (segid "   A" and resid   66 and name  HE2) (segid "   A" and resid    8 and name  HB2)
    or (segid "   A" and resid   66 and name  HE2) (segid "   A" and resid    8 and name  HB3)
assign (segid "   A" and resid   66 and name  HG1) (segid "   A" and resid   66 and name   HA) 2.559 0.819 0.819 weight 1.000 ! spec=13C_..._new, no=818, id=779, vol=1.030760e+06
assign (segid "   A" and resid   19 and name  HE1) (segid "   A" and resid   20 and name   HN) 2.453 0.752 0.752 weight 1.000 ! spec=13C_..._new, no=822, id=783, vol=1.756405e+06
assign (segid "   A" and resid   68 and name   HA) (segid "   A" and resid   68 and name  HB2) 1.987 0.494 0.494 weight 1.000 ! spec=13C_..._new, no=823, id=784, vol=6.082606e+06
assign (segid "   A" and resid   68 and name  HB1) (segid "   A" and resid   68 and name   HA) 2.648 0.877 0.877 weight 1.000 ! spec=13C_..._new, no=825, id=785, vol=1.227150e+06
assign (segid "   A" and resid   68 and name  HG2) (segid "   A" and resid   68 and name   HN) 2.896 1.049 1.049 weight 1.000 ! spec=13C_..._new, no=826, id=786, vol=4.542947e+05
assign (segid "   A" and resid   69 and name   HA) (segid "   A" and resid   70 and name   HN) 2.521 0.795 0.795 weight 1.000 ! spec=13C_..._new, no=827, id=787, vol=1.431203e+06
assign (segid "   A" and resid   69 and name   HA) (segid "   A" and resid   69 and name   HN) 2.603 0.847 0.847 weight 1.000 ! spec=13C_..._new, no=828, id=788, vol=1.218632e+06
assign (segid "   A" and resid   69 and name   HA) (segid "   A" and resid   69 and name   HB) 2.718 0.923 0.923 weight 1.000 ! spec=13C_..._new, no=830, id=789, vol=1.015536e+06
assign (segid "   A" and resid   69 and name   HA) (segid "   A" and resid   74 and name HG21) 2.883 1.039 1.039 weight 1.000 ! spec=13C_..._new, no=831, id=790, vol=6.238778e+05
    or (segid "   A" and resid   69 and name   HA) (segid "   A" and resid   74 and name HG22)
    or (segid "   A" and resid   69 and name   HA) (segid "   A" and resid   74 and name HG23)
assign (segid "   A" and resid   69 and name   HA) (segid "   A" and resid   69 and name HG13) 2.342 0.686 0.686 weight 1.000 ! spec=13C_..._new, no=832, id=791, vol=2.237535e+06
    or (segid "   A" and resid   69 and name   HA) (segid "   A" and resid   69 and name HG11)
    or (segid "   A" and resid   69 and name   HA) (segid "   A" and resid   69 and name HG12)
assign (segid "   A" and resid   69 and name   HA) (segid "   A" and resid   69 and name HG21) 2.246 0.630 0.630 weight 1.000 ! spec=13C_..._new, no=833, id=792, vol=2.763548e+06
    or (segid "   A" and resid   69 and name   HA) (segid "   A" and resid   69 and name HG22)
    or (segid "   A" and resid   69 and name   HA) (segid "   A" and resid   69 and name HG23)
assign (segid "   A" and resid   69 and name   HB) (segid "   A" and resid   64 and name   HA) 2.667 0.889 0.889 weight 1.000 ! spec=13C_..._new, no=835, id=794, vol=1.137018e+06
assign (segid "   A" and resid   69 and name HG21) (segid "   A" and resid   69 and name   HN) 2.229 0.621 0.621 weight 1.000 ! spec=13C_..._new, no=838, id=797, vol=2.526489e+06
    or (segid "   A" and resid   69 and name HG22) (segid "   A" and resid   69 and name   HN)
    or (segid "   A" and resid   69 and name HG23) (segid "   A" and resid   69 and name   HN)
assign (segid "   A" and resid   69 and name HG21) (segid "   A" and resid   25 and name  HD1) 2.696 0.909 0.909 weight 1.000 ! spec=13C_..._new, no=839, id=798, vol=7.864922e+05
    or (segid "   A" and resid   69 and name HG21) (segid "   A" and resid   25 and name  HD2)
    or (segid "   A" and resid   69 and name HG22) (segid "   A" and resid   25 and name  HD1)
    or (segid "   A" and resid   69 and name HG22) (segid "   A" and resid   25 and name  HD2)
    or (segid "   A" and resid   69 and name HG23) (segid "   A" and resid   25 and name  HD1)
    or (segid "   A" and resid   69 and name HG23) (segid "   A" and resid   25 and name  HD2)
assign (segid "   A" and resid   67 and name  HB1) (segid "   A" and resid   69 and name HG21) 2.465 0.760 0.760 weight 1.000 ! spec=13C_..._new, no=842, id=801, vol=1.276542e+06
    or (segid "   A" and resid   67 and name  HB1) (segid "   A" and resid   69 and name HG22)
    or (segid "   A" and resid   67 and name  HB1) (segid "   A" and resid   69 and name HG23)
assign (segid "   A" and resid   69 and name HG21) (segid "   A" and resid   67 and name  HB2) 2.403 0.722 0.722 weight 1.000 ! spec=13C_..._new, no=843, id=802, vol=1.415330e+06
    or (segid "   A" and resid   69 and name HG22) (segid "   A" and resid   67 and name  HB2)
    or (segid "   A" and resid   69 and name HG23) (segid "   A" and resid   67 and name  HB2)
assign (segid "   A" and resid   69 and name   HB) (segid "   A" and resid   69 and name HG21) 2.027 0.514 0.514 weight 1.000 ! spec=13C_..._new, no=844, id=803, vol=4.816718e+06
    or (segid "   A" and resid   69 and name   HB) (segid "   A" and resid   69 and name HG22)
    or (segid "   A" and resid   69 and name   HB) (segid "   A" and resid   69 and name HG23)
assign (segid "   A" and resid   69 and name HG21) (segid "   A" and resid   74 and name HG21) 2.020 0.510 0.510 weight 1.000 ! spec=13C_..._new, no=845, id=804, vol=5.078608e+06
    or (segid "   A" and resid   69 and name HG21) (segid "   A" and resid   74 and name HG22)
    or (segid "   A" and resid   69 and name HG21) (segid "   A" and resid   74 and name HG23)
    or (segid "   A" and resid   69 and name HG22) (segid "   A" and resid   74 and name HG21)
    or (segid "   A" and resid   69 and name HG22) (segid "   A" and resid   74 and name HG22)
    or (segid "   A" and resid   69 and name HG22) (segid "   A" and resid   74 and name HG23)
    or (segid "   A" and resid   69 and name HG23) (segid "   A" and resid   74 and name HG21)
    or (segid "   A" and resid   69 and name HG23) (segid "   A" and resid   74 and name HG22)
    or (segid "   A" and resid   69 and name HG23) (segid "   A" and resid   74 and name HG23)
assign (segid "   A" and resid   69 and name HG13) (segid "   A" and resid   25 and name  HD1) 2.701 0.912 0.912 weight 1.000 ! spec=13C_..._new, no=847, id=806, vol=7.270549e+05
    or (segid "   A" and resid   69 and name HG13) (segid "   A" and resid   25 and name  HD2)
    or (segid "   A" and resid   69 and name HG11) (segid "   A" and resid   25 and name  HD1)
    or (segid "   A" and resid   69 and name HG11) (segid "   A" and resid   25 and name  HD2)
    or (segid "   A" and resid   69 and name HG12) (segid "   A" and resid   25 and name  HD1)
    or (segid "   A" and resid   69 and name HG12) (segid "   A" and resid   25 and name  HD2)
assign (segid "   A" and resid   69 and name   HB) (segid "   A" and resid   69 and name HG13) 1.978 0.489 0.489 weight 1.000 ! spec=13C_..._new, no=849, id=808, vol=5.652624e+06
    or (segid "   A" and resid   69 and name   HB) (segid "   A" and resid   69 and name HG11)
    or (segid "   A" and resid   69 and name   HB) (segid "   A" and resid   69 and name HG12)
assign (segid "   A" and resid   69 and name HG21) (segid "   A" and resid   69 and name HG13) 1.918 0.460 0.460 weight 1.000 ! spec=13C_..._new, no=850, id=809, vol=6.043095e+06
    or (segid "   A" and resid   69 and name HG21) (segid "   A" and resid   69 and name HG11)
    or (segid "   A" and resid   69 and name HG21) (segid "   A" and resid   69 and name HG12)
    or (segid "   A" and resid   69 and name HG22) (segid "   A" and resid   69 and name HG13)
    or (segid "   A" and resid   69 and name HG22) (segid "   A" and resid   69 and name HG11)
    or (segid "   A" and resid   69 and name HG22) (segid "   A" and resid   69 and name HG12)
    or (segid "   A" and resid   69 and name HG23) (segid "   A" and resid   69 and name HG13)
    or (segid "   A" and resid   69 and name HG23) (segid "   A" and resid   69 and name HG11)
    or (segid "   A" and resid   69 and name HG23) (segid "   A" and resid   69 and name HG12)
assign (segid "   A" and resid   70 and name   HA) (segid "   A" and resid   69 and name HG13) 2.783 0.968 0.968 weight 1.000 ! spec=13C_..._new, no=851, id=810, vol=5.390400e+05
    or (segid "   A" and resid   70 and name   HA) (segid "   A" and resid   69 and name HG11)
    or (segid "   A" and resid   70 and name   HA) (segid "   A" and resid   69 and name HG12)
assign (segid "   A" and resid   70 and name   HA) (segid "   A" and resid   70 and name  HB1) 2.115 0.559 0.559 weight 1.000 ! spec=13C_..._new, no=852, id=811, vol=3.779312e+06
assign (segid "   A" and resid   70 and name   HA) (segid "   A" and resid   70 and name  HB2) 2.112 0.558 0.558 weight 1.000 ! spec=13C_..._new, no=853, id=812, vol=3.290214e+06
assign (segid "   A" and resid   70 and name  HB1) (segid "   A" and resid   70 and name  HB2) 1.819 0.413 0.413 weight 1.000 ! spec=13C_..._new, no=856, id=814, vol=9.183707e+06
assign (segid "   A" and resid   71 and name   HA) (segid "   A" and resid   72 and name   HN) 2.177 0.592 0.592 weight 1.000 ! spec=13C_..._new, no=861, id=818, vol=3.353714e+06
assign (segid "   A" and resid   71 and name  HB2) (segid "   A" and resid   72 and name   HN) 2.558 0.818 0.818 weight 1.000 ! spec=13C_..._new, no=862, id=819, vol=1.120635e+06
    or (segid "   A" and resid   71 and name  HB1) (segid "   A" and resid   72 and name   HN)
    or (segid "   A" and resid   71 and name  HB3) (segid "   A" and resid   72 and name   HN)
assign (segid "   A" and resid   71 and name   HA) (segid "   A" and resid   71 and name  HB2) 2.025 0.513 0.513 weight 1.000 ! spec=13C_..._new, no=864, id=821, vol=4.345430e+06
    or (segid "   A" and resid   71 and name   HA) (segid "   A" and resid   71 and name  HB1)
    or (segid "   A" and resid   71 and name   HA) (segid "   A" and resid   71 and name  HB3)
assign (segid "   A" and resid   71 and name  HB2) (segid "   A" and resid   89 and name  HA2) 2.649 0.877 0.877 weight 1.000 ! spec=13C_..._new, no=865, id=822, vol=5.273275e+05
    or (segid "   A" and resid   71 and name  HB1) (segid "   A" and resid   89 and name  HA2)
    or (segid "   A" and resid   71 and name  HB3) (segid "   A" and resid   89 and name  HA2)
assign (segid "   A" and resid   74 and name   HA) (segid "   A" and resid   74 and name HG21) 2.252 0.634 0.634 weight 1.000 ! spec=13C_..._new, no=868, id=825, vol=3.000186e+06
    or (segid "   A" and resid   74 and name   HA) (segid "   A" and resid   74 and name HG22)
    or (segid "   A" and resid   74 and name   HA) (segid "   A" and resid   74 and name HG23)
assign (segid "   A" and resid   74 and name   HA) (segid "   A" and resid   74 and name   HB) 2.679 0.897 0.897 weight 1.000 ! spec=13C_..._new, no=872, id=828, vol=1.175791e+06
assign (segid "   A" and resid   74 and name   HA) (segid "   A" and resid   74 and name   HN) 2.215 0.613 0.613 weight 1.000 ! spec=13C_..._new, no=874, id=830, vol=3.128997e+06
assign (segid "   A" and resid   74 and name   HA) (segid "   A" and resid   75 and name   HN) 2.107 0.555 0.555 weight 1.000 ! spec=13C_..._new, no=875, id=831, vol=4.463947e+06
assign (segid "   A" and resid   74 and name   HB) (segid "   A" and resid   69 and name HG13) 2.426 0.736 0.736 weight 1.000 ! spec=13C_..._new, no=876, id=832, vol=1.981330e+06
    or (segid "   A" and resid   74 and name   HB) (segid "   A" and resid   69 and name HG11)
    or (segid "   A" and resid   74 and name   HB) (segid "   A" and resid   69 and name HG12)
assign (segid "   A" and resid   25 and name  HB2) (segid "   A" and resid   74 and name   HB) 2.690 0.905 0.905 weight 1.000 ! spec=13C_..._new, no=878, id=834, vol=1.035040e+06
assign (segid "   A" and resid   74 and name   HB) (segid "   A" and resid   74 and name   HN) 2.739 0.938 0.938 weight 1.000 ! spec=13C_..._new, no=880, id=836, vol=8.614201e+05
assign (segid "   A" and resid   74 and name HG21) (segid "   A" and resid   76 and name   HG) 2.313 0.669 0.669 weight 1.000 ! spec=13C_..._new, no=883, id=839, vol=1.792209e+06
    or (segid "   A" and resid   74 and name HG22) (segid "   A" and resid   76 and name   HG)
    or (segid "   A" and resid   74 and name HG23) (segid "   A" and resid   76 and name   HG)
assign (segid "   A" and resid   74 and name   HB) (segid "   A" and resid   74 and name HG21) 2.239 0.627 0.627 weight 1.000 ! spec=13C_..._new, no=884, id=840, vol=2.185956e+06
    or (segid "   A" and resid   74 and name   HB) (segid "   A" and resid   74 and name HG22)
    or (segid "   A" and resid   74 and name   HB) (segid "   A" and resid   74 and name HG23)
assign (segid "   A" and resid   74 and name HG21) (segid "   A" and resid   75 and name   HN) 2.351 0.691 0.691 weight 1.000 ! spec=13C_..._new, no=886, id=842, vol=1.330171e+06
    or (segid "   A" and resid   74 and name HG22) (segid "   A" and resid   75 and name   HN)
    or (segid "   A" and resid   74 and name HG23) (segid "   A" and resid   75 and name   HN)
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   75 and name   HA) 2.298 0.660 0.660 weight 1.000 ! spec=13C_..._new, no=888, id=844, vol=2.203854e+06
assign (segid "   A" and resid   75 and name  HB2) (segid "   A" and resid   76 and name   HN) 2.721 0.925 0.925 weight 1.000 ! spec=13C_..._new, no=890, id=846, vol=8.993659e+05
assign (segid "   A" and resid   75 and name  HB2) (segid "   A" and resid   87 and name   HB) 2.448 0.749 0.749 weight 1.000 ! spec=13C_..._new, no=893, id=849, vol=1.643285e+06
assign (segid "   A" and resid   75 and name  HB2) (segid "   A" and resid   75 and name HD11) 2.247 0.631 0.631 weight 1.000 ! spec=13C_..._new, no=894, id=850, vol=2.774329e+06
    or (segid "   A" and resid   75 and name  HB2) (segid "   A" and resid   75 and name HD13)
    or (segid "   A" and resid   75 and name  HB2) (segid "   A" and resid   75 and name HD12)
assign (segid "   A" and resid   75 and name  HB2) (segid "   A" and resid   22 and name HG23) 2.585 0.835 0.835 weight 1.000 ! spec=13C_..._new, no=895, id=851, vol=1.419479e+06
    or (segid "   A" and resid   75 and name  HB2) (segid "   A" and resid   22 and name HG21)
    or (segid "   A" and resid   75 and name  HB2) (segid "   A" and resid   22 and name HG22)
assign (segid "   A" and resid   54 and name   HA) (segid "   A" and resid   54 and name   HN) 2.777 0.964 0.964 weight 1.000 ! spec=13C_..._new, no=896, id=852, vol=7.883143e+05
assign (segid "   A" and resid   76 and name   HA) (segid "   A" and resid   77 and name HD21) 2.764 0.955 0.955 weight 1.000 ! spec=13C_..._new, no=897, id=853, vol=7.030498e+05
    or (segid "   A" and resid   76 and name   HA) (segid "   A" and resid   77 and name HD23)
    or (segid "   A" and resid   76 and name   HA) (segid "   A" and resid   77 and name HD22)
assign (segid "   A" and resid   76 and name   HA) (segid "   A" and resid   76 and name HD23) 2.211 0.611 0.611 weight 1.000 ! spec=13C_..._new, no=898, id=854, vol=3.307777e+06
    or (segid "   A" and resid   76 and name   HA) (segid "   A" and resid   76 and name HD21)
    or (segid "   A" and resid   76 and name   HA) (segid "   A" and resid   76 and name HD22)
assign (segid "   A" and resid   76 and name   HA) (segid "   A" and resid   76 and name  HB2) 2.632 0.866 0.866 weight 1.000 ! spec=13C_..._new, no=901, id=857, vol=9.394239e+05
assign (segid "   A" and resid   76 and name   HA) (segid "   A" and resid   77 and name   HN) 2.055 0.528 0.528 weight 1.000 ! spec=13C_..._new, no=902, id=858, vol=4.938307e+06
assign (segid "   A" and resid   76 and name   HA) (segid "   A" and resid   76 and name   HN) 2.546 0.810 0.810 weight 1.000 ! spec=13C_..._new, no=903, id=859, vol=1.108600e+06
assign (segid "   A" and resid   76 and name  HB2) (segid "   A" and resid   78 and name  HE2) 2.812 0.989 0.989 weight 1.000 ! spec=13C_..._new, no=904, id=860, vol=7.253286e+05
    or (segid "   A" and resid   76 and name  HB2) (segid "   A" and resid   78 and name  HE1)
assign (segid "   A" and resid   76 and name HD23) (segid "   A" and resid   87 and name   HN) 2.473 0.764 0.764 weight 1.000 ! spec=13C_..._new, no=908, id=864, vol=8.940815e+05
    or (segid "   A" and resid   76 and name HD21) (segid "   A" and resid   87 and name   HN)
    or (segid "   A" and resid   76 and name HD22) (segid "   A" and resid   87 and name   HN)
assign (segid "   A" and resid   76 and name HD23) (segid "   A" and resid   86 and name  HE1) 2.565 0.822 0.822 weight 1.000 ! spec=13C_..._new, no=911, id=867, vol=5.672510e+05
    or (segid "   A" and resid   76 and name HD21) (segid "   A" and resid   86 and name  HE1)
    or (segid "   A" and resid   76 and name HD22) (segid "   A" and resid   86 and name  HE1)
assign (segid "   A" and resid   76 and name HD23) (segid "   A" and resid   76 and name   HG) 1.842 0.424 0.424 weight 1.000 ! spec=13C_..._new, no=912, id=868, vol=7.383902e+06
    or (segid "   A" and resid   76 and name HD21) (segid "   A" and resid   76 and name   HG)
    or (segid "   A" and resid   76 and name HD22) (segid "   A" and resid   76 and name   HG)
assign (segid "   A" and resid   86 and name  HB2) (segid "   A" and resid   86 and name   HA) 2.755 0.949 0.949 weight 1.000 ! spec=13C_..._new, no=918, id=874, vol=8.469769e+05
assign (segid "   A" and resid   22 and name HG23) (segid "   A" and resid   75 and name HD11) 1.901 0.452 0.452 weight 1.000 ! spec=13C_..._new, no=921, id=877, vol=4.995387e+06
    or (segid "   A" and resid   22 and name HG23) (segid "   A" and resid   75 and name HD13)
    or (segid "   A" and resid   22 and name HG23) (segid "   A" and resid   75 and name HD12)
    or (segid "   A" and resid   22 and name HG21) (segid "   A" and resid   75 and name HD11)
    or (segid "   A" and resid   22 and name HG21) (segid "   A" and resid   75 and name HD13)
    or (segid "   A" and resid   22 and name HG21) (segid "   A" and resid   75 and name HD12)
    or (segid "   A" and resid   22 and name HG22) (segid "   A" and resid   75 and name HD11)
    or (segid "   A" and resid   22 and name HG22) (segid "   A" and resid   75 and name HD13)
    or (segid "   A" and resid   22 and name HG22) (segid "   A" and resid   75 and name HD12)
assign (segid "   A" and resid   76 and name HD11) (segid "   A" and resid   76 and name   HG) 1.975 0.488 0.488 weight 1.000 ! spec=13C_..._new, no=923, id=879, vol=4.185863e+06
    or (segid "   A" and resid   76 and name HD13) (segid "   A" and resid   76 and name   HG)
    or (segid "   A" and resid   76 and name HD12) (segid "   A" and resid   76 and name   HG)
assign (segid "   A" and resid   75 and name   HA) (segid "   A" and resid   75 and name HD11) 2.351 0.691 0.691 weight 1.000 ! spec=13C_..._new, no=925, id=881, vol=1.740061e+06
    or (segid "   A" and resid   75 and name   HA) (segid "   A" and resid   75 and name HD13)
    or (segid "   A" and resid   75 and name   HA) (segid "   A" and resid   75 and name HD12)
assign (segid "   A" and resid   76 and name  HB2) (segid "   A" and resid   76 and name   HG) 2.509 0.787 0.787 weight 1.000 ! spec=13C_..._new, no=927, id=883, vol=1.328884e+06
assign (segid "   A" and resid   77 and name  HB2) (segid "   A" and resid   77 and name   HN) 2.901 1.052 1.052 weight 1.000 ! spec=13C_..._new, no=929, id=885, vol=5.687115e+05
assign (segid "   A" and resid   77 and name  HB2) (segid "   A" and resid   77 and name HD13) 2.625 0.861 0.861 weight 1.000 ! spec=13C_..._new, no=930, id=886, vol=1.284872e+06
    or (segid "   A" and resid   77 and name  HB2) (segid "   A" and resid   77 and name HD11)
    or (segid "   A" and resid   77 and name  HB2) (segid "   A" and resid   77 and name HD12)
assign (segid "   A" and resid   77 and name HD13) (segid "   A" and resid   98 and name  HB1) 2.081 0.541 0.541 weight 1.000 ! spec=13C_..._new, no=933, id=889, vol=3.940540e+06
    or (segid "   A" and resid   77 and name HD13) (segid "   A" and resid   98 and name  HB3)
    or (segid "   A" and resid   77 and name HD13) (segid "   A" and resid   98 and name  HB2)
    or (segid "   A" and resid   77 and name HD11) (segid "   A" and resid   98 and name  HB1)
    or (segid "   A" and resid   77 and name HD11) (segid "   A" and resid   98 and name  HB3)
    or (segid "   A" and resid   77 and name HD11) (segid "   A" and resid   98 and name  HB2)
    or (segid "   A" and resid   77 and name HD12) (segid "   A" and resid   98 and name  HB1)
    or (segid "   A" and resid   77 and name HD12) (segid "   A" and resid   98 and name  HB3)
    or (segid "   A" and resid   77 and name HD12) (segid "   A" and resid   98 and name  HB2)
assign (segid "   A" and resid   77 and name HD13) (segid "   A" and resid  102 and name  HB1) 2.695 0.908 0.908 weight 1.000 ! spec=13C_..._new, no=934, id=890, vol=1.972166e+05
    or (segid "   A" and resid   77 and name HD11) (segid "   A" and resid  102 and name  HB1)
    or (segid "   A" and resid   77 and name HD12) (segid "   A" and resid  102 and name  HB1)
assign (segid "   A" and resid   77 and name HD21) (segid "   A" and resid   77 and name   HN) 2.564 0.822 0.822 weight 1.000 ! spec=13C_..._new, no=935, id=891, vol=1.269864e+06
    or (segid "   A" and resid   77 and name HD23) (segid "   A" and resid   77 and name   HN)
    or (segid "   A" and resid   77 and name HD22) (segid "   A" and resid   77 and name   HN)
assign (segid "   A" and resid   77 and name HD13) (segid "   A" and resid   99 and name   HN) 2.719 0.924 0.924 weight 1.000 ! spec=13C_..._new, no=936, id=892, vol=5.725819e+05
    or (segid "   A" and resid   77 and name HD11) (segid "   A" and resid   99 and name   HN)
    or (segid "   A" and resid   77 and name HD12) (segid "   A" and resid   99 and name   HN)
assign (segid "   A" and resid   77 and name HD13) (segid "   A" and resid  102 and name  HB2) 2.457 0.754 0.754 weight 1.000 ! spec=13C_..._new, no=938, id=894, vol=1.216646e+06
    or (segid "   A" and resid   77 and name HD11) (segid "   A" and resid  102 and name  HB2)
    or (segid "   A" and resid   77 and name HD12) (segid "   A" and resid  102 and name  HB2)
assign (segid "   A" and resid   77 and name HD13) (segid "   A" and resid   22 and name HG11) 2.397 0.718 0.718 weight 1.000 ! spec=13C_..._new, no=942, id=898, vol=1.429721e+06
    or (segid "   A" and resid   77 and name HD13) (segid "   A" and resid   22 and name HG13)
    or (segid "   A" and resid   77 and name HD13) (segid "   A" and resid   22 and name HG12)
    or (segid "   A" and resid   77 and name HD11) (segid "   A" and resid   22 and name HG11)
    or (segid "   A" and resid   77 and name HD11) (segid "   A" and resid   22 and name HG13)
    or (segid "   A" and resid   77 and name HD11) (segid "   A" and resid   22 and name HG12)
    or (segid "   A" and resid   77 and name HD12) (segid "   A" and resid   22 and name HG11)
    or (segid "   A" and resid   77 and name HD12) (segid "   A" and resid   22 and name HG13)
    or (segid "   A" and resid   77 and name HD12) (segid "   A" and resid   22 and name HG12)
assign (segid "   A" and resid   78 and name   HA) (segid "   A" and resid   78 and name   HN) 2.672 0.892 0.892 weight 1.000 ! spec=13C_..._new, no=943, id=899, vol=9.787102e+05
assign (segid "   A" and resid   78 and name   HA) (segid "   A" and resid   84 and name   HN) 2.351 0.691 0.691 weight 1.000 ! spec=13C_..._new, no=944, id=900, vol=2.123940e+06
assign (segid "   A" and resid   78 and name   HA) (segid "   A" and resid   79 and name   HN) 2.022 0.511 0.511 weight 1.000 ! spec=13C_..._new, no=945, id=901, vol=5.482454e+06
assign (segid "   A" and resid   78 and name   HA) (segid "   A" and resid   85 and name   HN) 2.811 0.988 0.988 weight 1.000 ! spec=13C_..._new, no=946, id=902, vol=6.370520e+05
assign (segid "   A" and resid   78 and name   HA) (segid "   A" and resid   78 and name  HD2) 2.678 0.896 0.896 weight 1.000 ! spec=13C_..._new, no=947, id=903, vol=9.921995e+05
    or (segid "   A" and resid   78 and name   HA) (segid "   A" and resid   78 and name  HD1)
assign (segid "   A" and resid   78 and name   HA) (segid "   A" and resid   84 and name HG11) 2.666 0.888 0.888 weight 1.000 ! spec=13C_..._new, no=952, id=908, vol=1.035261e+06
    or (segid "   A" and resid   78 and name   HA) (segid "   A" and resid   84 and name HG12)
    or (segid "   A" and resid   78 and name   HA) (segid "   A" and resid   84 and name HG13)
assign (segid "   A" and resid   78 and name  HB2) (segid "   A" and resid   78 and name  HD2) 2.588 0.838 0.838 weight 1.000 ! spec=13C_..._new, no=953, id=909, vol=1.253371e+06
    or (segid "   A" and resid   78 and name  HB2) (segid "   A" and resid   78 and name  HD1)
assign (segid "   A" and resid   78 and name  HB1) (segid "   A" and resid   78 and name  HD2) 2.761 0.953 0.953 weight 1.000 ! spec=13C_..._new, no=954, id=910, vol=8.458841e+05
    or (segid "   A" and resid   78 and name  HB1) (segid "   A" and resid   78 and name  HD1)
assign (segid "   A" and resid   78 and name   HA) (segid "   A" and resid   78 and name  HB2) 2.793 0.975 0.975 weight 1.000 ! spec=13C_..._new, no=955, id=911, vol=7.513554e+05
assign (segid "   A" and resid   78 and name   HA) (segid "   A" and resid   78 and name  HB1) 2.900 1.051 1.051 weight 1.000 ! spec=13C_..._new, no=956, id=912, vol=7.064897e+05
assign (segid "   A" and resid   78 and name  HB1) (segid "   A" and resid   21 and name   HB) 2.966 1.100 1.100 weight 1.000 ! spec=13C_..._new, no=957, id=913, vol=5.635077e+05
assign (segid "   A" and resid   78 and name  HB2) (segid "   A" and resid   15 and name   HB) 2.791 0.974 0.974 weight 1.000 ! spec=13C_..._new, no=958, id=914, vol=6.907979e+05
assign (segid "   A" and resid   78 and name  HB2) (segid "   A" and resid   21 and name   HB) 2.723 0.927 0.927 weight 1.000 ! spec=13C_..._new, no=959, id=915, vol=8.502426e+05
assign (segid "   A" and resid   78 and name  HB2) (segid "   A" and resid   79 and name   HN) 3.016 1.137 1.137 weight 1.000 ! spec=13C_..._new, no=960, id=916, vol=5.291587e+05
assign (segid "   A" and resid   79 and name  HB1) (segid "   A" and resid   79 and name   HA) 2.279 0.649 0.649 weight 1.000 ! spec=13C_..._new, no=963, id=919, vol=2.548343e+06
assign (segid "   A" and resid   79 and name  HB1) (segid "   A" and resid   84 and name HG11) 2.982 1.111 1.111 weight 1.000 ! spec=13C_..._new, no=964, id=920, vol=4.712026e+05
    or (segid "   A" and resid   79 and name  HB1) (segid "   A" and resid   84 and name HG12)
    or (segid "   A" and resid   79 and name  HB1) (segid "   A" and resid   84 and name HG13)
assign (segid "   A" and resid   79 and name  HB1) (segid "   A" and resid   84 and name HG22) 2.634 0.867 0.867 weight 1.000 ! spec=13C_..._new, no=965, id=921, vol=1.104624e+06
    or (segid "   A" and resid   79 and name  HB1) (segid "   A" and resid   84 and name HG21)
    or (segid "   A" and resid   79 and name  HB1) (segid "   A" and resid   84 and name HG23)
assign (segid "   A" and resid   80 and name   HA) (segid "   A" and resid   80 and name  HB2) 2.323 0.675 0.675 weight 1.000 ! spec=13C_..._new, no=968, id=924, vol=2.159830e+06
assign (segid "   A" and resid   80 and name   HA) (segid "   A" and resid   80 and name  HB1) 2.236 0.625 0.625 weight 1.000 ! spec=13C_..._new, no=969, id=925, vol=2.805346e+06
assign (segid "   A" and resid   80 and name   HA) (segid "   A" and resid   81 and name   HN) 2.365 0.699 0.699 weight 1.000 ! spec=13C_..._new, no=971, id=926, vol=2.251401e+06
assign (segid "   A" and resid   80 and name   HA) (segid "   A" and resid   80 and name   HN) 1.996 0.498 0.498 weight 1.000 ! spec=13C_..._new, no=972, id=927, vol=6.122681e+06
assign (segid "   A" and resid   80 and name  HB2) (segid "   A" and resid   80 and name  HB1) 1.913 0.457 0.457 weight 1.000 ! spec=13C_..._new, no=974, id=929, vol=7.224954e+06
assign (segid "   A" and resid   81 and name  HA2) (segid "   A" and resid   81 and name  HA1) 2.047 0.524 0.524 weight 1.000 ! spec=13C_..._new, no=979, id=934, vol=5.032293e+06
assign (segid "   A" and resid   81 and name  HA1) (segid "   A" and resid   81 and name   HN) 2.593 0.841 0.841 weight 1.000 ! spec=13C_..._new, no=980, id=935, vol=1.016923e+06
assign (segid "   A" and resid   86 and name   HA) (segid "   A" and resid   87 and name   HN) 2.001 0.501 0.501 weight 1.000 ! spec=13C_..._new, no=981, id=936, vol=5.578295e+06
assign (segid "   A" and resid   86 and name  HB1) (segid "   A" and resid   86 and name   HA) 2.169 0.588 0.588 weight 1.000 ! spec=13C_..._new, no=982, id=937, vol=3.359703e+06
assign (segid "   A" and resid   86 and name  HG2) (segid "   A" and resid   86 and name   HA) 2.273 0.646 0.646 weight 1.000 ! spec=13C_..._new, no=983, id=938, vol=2.461992e+06
assign (segid "   A" and resid   76 and name HD23) (segid "   A" and resid   86 and name   HA) 2.342 0.686 0.686 weight 1.000 ! spec=13C_..._new, no=984, id=939, vol=2.015959e+06
    or (segid "   A" and resid   76 and name HD21) (segid "   A" and resid   86 and name   HA)
    or (segid "   A" and resid   76 and name HD22) (segid "   A" and resid   86 and name   HA)
assign (segid "   A" and resid   82 and name  HB1) (segid "   A" and resid   83 and name   HN) 2.756 0.949 0.949 weight 1.000 ! spec=13C_..._new, no=987, id=942, vol=7.047419e+05
assign (segid "   A" and resid   82 and name  HB2) (segid "   A" and resid   82 and name   HN) 2.615 0.855 0.855 weight 1.000 ! spec=13C_..._new, no=991, id=946, vol=9.622429e+05
assign (segid "   A" and resid   82 and name  HB2) (segid "   A" and resid   82 and name  HG2) 2.400 0.720 0.720 weight 1.000 ! spec=13C_..._new, no=993, id=948, vol=2.274463e+06
assign (segid "   A" and resid   46 and name   HA) (segid "   A" and resid   46 and name  HG1) 2.709 0.917 0.917 weight 1.000 ! spec=13C_..._new, no=999, id=954, vol=1.008654e+06
assign (segid "   A" and resid   46 and name   HA) (segid "   A" and resid   47 and name   HN) 2.248 0.632 0.632 weight 1.000 ! spec=13C_..._new, no=1000, id=955, vol=2.678968e+06
assign (segid "   A" and resid   83 and name  HB1) (segid "   A" and resid   83 and name   HN) 2.834 1.004 1.004 weight 1.000 ! spec=13C_..._new, no=1001, id=956, vol=8.151407e+05
assign (segid "   A" and resid   84 and name   HA) (segid "   A" and resid   84 and name   HB) 1.987 0.494 0.494 weight 1.000 ! spec=13C_..._new, no=1002, id=957, vol=6.128043e+06
assign (segid "   A" and resid   84 and name   HB) (segid "   A" and resid   84 and name HG22) 2.118 0.561 0.561 weight 1.000 ! spec=13C_..._new, no=1004, id=959, vol=4.259754e+06
    or (segid "   A" and resid   84 and name   HB) (segid "   A" and resid   84 and name HG21)
    or (segid "   A" and resid   84 and name   HB) (segid "   A" and resid   84 and name HG23)
assign (segid "   A" and resid   84 and name   HB) (segid "   A" and resid   77 and name  HB2) 2.904 1.054 1.054 weight 1.000 ! spec=13C_..._new, no=1006, id=961, vol=5.449297e+05
assign (segid "   A" and resid   84 and name HG11) (segid "   A" and resid   84 and name   HN) 2.148 0.577 0.577 weight 1.000 ! spec=13C_..._new, no=1007, id=962, vol=3.224663e+06
    or (segid "   A" and resid   84 and name HG12) (segid "   A" and resid   84 and name   HN)
    or (segid "   A" and resid   84 and name HG13) (segid "   A" and resid   84 and name   HN)
assign (segid "   A" and resid   84 and name HG11) (segid "   A" and resid   77 and name   HN) 2.754 0.948 0.948 weight 1.000 ! spec=13C_..._new, no=1009, id=964, vol=4.372541e+05
    or (segid "   A" and resid   84 and name HG12) (segid "   A" and resid   77 and name   HN)
    or (segid "   A" and resid   84 and name HG13) (segid "   A" and resid   77 and name   HN)
assign (segid "   A" and resid   84 and name HG11) (segid "   A" and resid   85 and name   HN) 2.426 0.736 0.736 weight 1.000 ! spec=13C_..._new, no=1010, id=965, vol=1.409029e+06
    or (segid "   A" and resid   84 and name HG12) (segid "   A" and resid   85 and name   HN)
    or (segid "   A" and resid   84 and name HG13) (segid "   A" and resid   85 and name   HN)
assign (segid "   A" and resid   84 and name HG11) (segid "   A" and resid   84 and name   HA) 2.595 0.842 0.842 weight 1.000 ! spec=13C_..._new, no=1012, id=967, vol=1.098838e+06
    or (segid "   A" and resid   84 and name HG12) (segid "   A" and resid   84 and name   HA)
    or (segid "   A" and resid   84 and name HG13) (segid "   A" and resid   84 and name   HA)
assign (segid "   A" and resid   84 and name   HB) (segid "   A" and resid   84 and name HG11) 2.025 0.513 0.513 weight 1.000 ! spec=13C_..._new, no=1014, id=969, vol=4.718365e+06
    or (segid "   A" and resid   84 and name   HB) (segid "   A" and resid   84 and name HG12)
    or (segid "   A" and resid   84 and name   HB) (segid "   A" and resid   84 and name HG13)
assign (segid "   A" and resid   84 and name HG11) (segid "   A" and resid   77 and name  HB2) 2.050 0.525 0.525 weight 1.000 ! spec=13C_..._new, no=1016, id=971, vol=3.600124e+06
    or (segid "   A" and resid   84 and name HG12) (segid "   A" and resid   77 and name  HB2)
    or (segid "   A" and resid   84 and name HG13) (segid "   A" and resid   77 and name  HB2)
assign (segid "   A" and resid   84 and name HG11) (segid "   A" and resid   84 and name HG22) 1.915 0.458 0.458 weight 1.000 ! spec=13C_..._new, no=1017, id=972, vol=6.724334e+06
    or (segid "   A" and resid   84 and name HG11) (segid "   A" and resid   84 and name HG21)
    or (segid "   A" and resid   84 and name HG11) (segid "   A" and resid   84 and name HG23)
    or (segid "   A" and resid   84 and name HG12) (segid "   A" and resid   84 and name HG22)
    or (segid "   A" and resid   84 and name HG12) (segid "   A" and resid   84 and name HG21)
    or (segid "   A" and resid   84 and name HG12) (segid "   A" and resid   84 and name HG23)
    or (segid "   A" and resid   84 and name HG13) (segid "   A" and resid   84 and name HG22)
    or (segid "   A" and resid   84 and name HG13) (segid "   A" and resid   84 and name HG21)
    or (segid "   A" and resid   84 and name HG13) (segid "   A" and resid   84 and name HG23)
assign (segid "   A" and resid   87 and name HG12) (segid "   A" and resid   89 and name   HN) 2.420 0.732 0.732 weight 1.000 ! spec=13C_..._new, no=1018, id=973, vol=1.205619e+06
    or (segid "   A" and resid   87 and name HG11) (segid "   A" and resid   89 and name   HN)
    or (segid "   A" and resid   87 and name HG13) (segid "   A" and resid   89 and name   HN)
assign (segid "   A" and resid   84 and name HG22) (segid "   A" and resid   20 and name HD21) 2.023 0.512 0.512 weight 1.000 ! spec=13C_..._new, no=1022, id=977, vol=4.977041e+06
    or (segid "   A" and resid   84 and name HG22) (segid "   A" and resid   20 and name HD22)
    or (segid "   A" and resid   84 and name HG22) (segid "   A" and resid   20 and name HD23)
    or (segid "   A" and resid   84 and name HG21) (segid "   A" and resid   20 and name HD21)
    or (segid "   A" and resid   84 and name HG21) (segid "   A" and resid   20 and name HD22)
    or (segid "   A" and resid   84 and name HG21) (segid "   A" and resid   20 and name HD23)
    or (segid "   A" and resid   84 and name HG23) (segid "   A" and resid   20 and name HD21)
    or (segid "   A" and resid   84 and name HG23) (segid "   A" and resid   20 and name HD22)
    or (segid "   A" and resid   84 and name HG23) (segid "   A" and resid   20 and name HD23)
assign (segid "   A" and resid   85 and name   HA) (segid "   A" and resid   85 and name   HN) 2.428 0.737 0.737 weight 1.000 ! spec=13C_..._new, no=1025, id=980, vol=1.962503e+06
assign (segid "   A" and resid   85 and name   HA) (segid "   A" and resid   86 and name   HN) 1.886 0.445 0.445 weight 1.000 ! spec=13C_..._new, no=1026, id=981, vol=8.227937e+06
assign (segid "   A" and resid   85 and name  HB1) (segid "   A" and resid   86 and name   HN) 2.118 0.561 0.561 weight 1.000 ! spec=13C_..._new, no=1027, id=982, vol=3.002356e+06
    or (segid "   A" and resid   85 and name  HB2) (segid "   A" and resid   86 and name   HN)
    or (segid "   A" and resid   85 and name  HB3) (segid "   A" and resid   86 and name   HN)
assign (segid "   A" and resid   85 and name   HA) (segid "   A" and resid   85 and name  HB1) 1.910 0.456 0.456 weight 1.000 ! spec=13C_..._new, no=1029, id=984, vol=5.234234e+06
    or (segid "   A" and resid   85 and name   HA) (segid "   A" and resid   85 and name  HB2)
    or (segid "   A" and resid   85 and name   HA) (segid "   A" and resid   85 and name  HB3)
assign (segid "   A" and resid   77 and name HD13) (segid "   A" and resid   85 and name  HB1) 1.945 0.473 0.473 weight 1.000 ! spec=13C_..._new, no=1030, id=985, vol=4.429794e+06
    or (segid "   A" and resid   77 and name HD13) (segid "   A" and resid   85 and name  HB2)
    or (segid "   A" and resid   77 and name HD13) (segid "   A" and resid   85 and name  HB3)
    or (segid "   A" and resid   77 and name HD11) (segid "   A" and resid   85 and name  HB1)
    or (segid "   A" and resid   77 and name HD11) (segid "   A" and resid   85 and name  HB2)
    or (segid "   A" and resid   77 and name HD11) (segid "   A" and resid   85 and name  HB3)
    or (segid "   A" and resid   77 and name HD12) (segid "   A" and resid   85 and name  HB1)
    or (segid "   A" and resid   77 and name HD12) (segid "   A" and resid   85 and name  HB2)
    or (segid "   A" and resid   77 and name HD12) (segid "   A" and resid   85 and name  HB3)
assign (segid "   A" and resid   86 and name   HA) (segid "   A" and resid   85 and name  HB1) 2.653 0.880 0.880 weight 1.000 ! spec=13C_..._new, no=1031, id=986, vol=1.010588e+06
    or (segid "   A" and resid   86 and name   HA) (segid "   A" and resid   85 and name  HB2)
    or (segid "   A" and resid   86 and name   HA) (segid "   A" and resid   85 and name  HB3)
assign (segid "   A" and resid   86 and name  HB1) (segid "   A" and resid   86 and name   HN) 2.840 1.008 1.008 weight 1.000 ! spec=13C_..._new, no=1033, id=988, vol=6.746924e+05
assign (segid "   A" and resid   86 and name  HB2) (segid "   A" and resid   86 and name  HG1) 2.260 0.638 0.638 weight 1.000 ! spec=13C_..._new, no=1035, id=990, vol=2.835668e+06
assign (segid "   A" and resid   86 and name   HA) (segid "   A" and resid   86 and name  HG1) 2.758 0.951 0.951 weight 1.000 ! spec=13C_..._new, no=1036, id=991, vol=7.900952e+05
assign (segid "   A" and resid   87 and name   HA) (segid "   A" and resid   88 and name   HN) 2.080 0.541 0.541 weight 1.000 ! spec=13C_..._new, no=1037, id=992, vol=3.660679e+06
assign (segid "   A" and resid   87 and name   HA) (segid "   A" and resid   87 and name   HB) 2.474 0.765 0.765 weight 1.000 ! spec=13C_..._new, no=1038, id=993, vol=1.560818e+06
assign (segid "   A" and resid   87 and name HG12) (segid "   A" and resid   87 and name   HA) 2.195 0.602 0.602 weight 1.000 ! spec=13C_..._new, no=1039, id=994, vol=2.758382e+06
    or (segid "   A" and resid   87 and name HG11) (segid "   A" and resid   87 and name   HA)
    or (segid "   A" and resid   87 and name HG13) (segid "   A" and resid   87 and name   HA)
assign (segid "   A" and resid   87 and name   HB) (segid "   A" and resid   87 and name HG21) 2.251 0.633 0.633 weight 1.000 ! spec=13C_..._new, no=1044, id=999, vol=3.038727e+06
    or (segid "   A" and resid   87 and name   HB) (segid "   A" and resid   87 and name HG23)
    or (segid "   A" and resid   87 and name   HB) (segid "   A" and resid   87 and name HG22)
assign (segid "   A" and resid   87 and name HG12) (segid "   A" and resid   88 and name   HN) 2.378 0.707 0.707 weight 1.000 ! spec=13C_..._new, no=1045, id=1000, vol=1.838922e+06
    or (segid "   A" and resid   87 and name HG11) (segid "   A" and resid   88 and name   HN)
    or (segid "   A" and resid   87 and name HG13) (segid "   A" and resid   88 and name   HN)
assign (segid "   A" and resid   87 and name HG21) (segid "   A" and resid   87 and name   HN) 2.348 0.689 0.689 weight 1.000 ! spec=13C_..._new, no=1048, id=1003, vol=1.553062e+06
    or (segid "   A" and resid   87 and name HG23) (segid "   A" and resid   87 and name   HN)
    or (segid "   A" and resid   87 and name HG22) (segid "   A" and resid   87 and name   HN)
assign (segid "   A" and resid   87 and name   HA) (segid "   A" and resid   88 and name HG13) 2.181 0.594 0.594 weight 1.000 ! spec=13C_..._new, no=1049, id=1004, vol=2.661479e+06
    or (segid "   A" and resid   87 and name   HA) (segid "   A" and resid   88 and name HG11)
    or (segid "   A" and resid   87 and name   HA) (segid "   A" and resid   88 and name HG12)
assign (segid "   A" and resid   88 and name   HB) (segid "   A" and resid   88 and name   HA) 2.805 0.984 0.984 weight 1.000 ! spec=13C_..._new, no=1052, id=1007, vol=8.569498e+05
assign (segid "   A" and resid   88 and name   HB) (segid "   A" and resid   88 and name   HN) 2.564 0.822 0.822 weight 1.000 ! spec=13C_..._new, no=1053, id=1008, vol=1.454177e+06
assign (segid "   A" and resid   20 and name HD13) (segid "   A" and resid   77 and name   HA) 2.687 0.903 0.903 weight 1.000 ! spec=13C_..._new, no=1054, id=1009, vol=2.584841e+05
    or (segid "   A" and resid   20 and name HD11) (segid "   A" and resid   77 and name   HA)
    or (segid "   A" and resid   20 and name HD12) (segid "   A" and resid   77 and name   HA)
assign (segid "   A" and resid   88 and name HG21) (segid "   A" and resid   89 and name   HN) 2.776 0.963 0.963 weight 1.000 ! spec=13C_..._new, no=1056, id=1011, vol=4.630094e+05
    or (segid "   A" and resid   88 and name HG23) (segid "   A" and resid   89 and name   HN)
    or (segid "   A" and resid   88 and name HG22) (segid "   A" and resid   89 and name   HN)
assign (segid "   A" and resid   88 and name HG21) (segid "   A" and resid   74 and name   HA) 2.614 0.854 0.854 weight 1.000 ! spec=13C_..._new, no=1057, id=1012, vol=5.611088e+05
    or (segid "   A" and resid   88 and name HG23) (segid "   A" and resid   74 and name   HA)
    or (segid "   A" and resid   88 and name HG22) (segid "   A" and resid   74 and name   HA)
assign (segid "   A" and resid   88 and name   HB) (segid "   A" and resid   88 and name HG21) 1.969 0.485 0.485 weight 1.000 ! spec=13C_..._new, no=1059, id=1014, vol=5.073265e+06
    or (segid "   A" and resid   88 and name   HB) (segid "   A" and resid   88 and name HG23)
    or (segid "   A" and resid   88 and name   HB) (segid "   A" and resid   88 and name HG22)
assign (segid "   A" and resid   88 and name HG21) (segid "   A" and resid   86 and name  HE1) 2.562 0.821 0.821 weight 1.000 ! spec=13C_..._new, no=1061, id=1016, vol=7.319905e+05
    or (segid "   A" and resid   88 and name HG23) (segid "   A" and resid   86 and name  HE1)
    or (segid "   A" and resid   88 and name HG22) (segid "   A" and resid   86 and name  HE1)
assign (segid "   A" and resid   89 and name  HA1) (segid "   A" and resid   89 and name   HN) 2.920 1.065 1.065 weight 1.000 ! spec=13C_..._new, no=1064, id=1019, vol=5.856298e+05
assign (segid "   A" and resid   89 and name  HA2) (segid "   A" and resid   89 and name  HA1) 2.118 0.561 0.561 weight 1.000 ! spec=13C_..._new, no=1065, id=1020, vol=4.063046e+06
assign (segid "   A" and resid   91 and name   HA) (segid "   A" and resid   91 and name   HN) 2.655 0.881 0.881 weight 1.000 ! spec=13C_..._new, no=1066, id=1021, vol=1.052690e+06
assign (segid "   A" and resid   91 and name   HA) (segid "   A" and resid   92 and name  HD2) 2.150 0.578 0.578 weight 1.000 ! spec=13C_..._new, no=1067, id=1022, vol=4.032995e+06
assign (segid "   A" and resid   91 and name   HA) (segid "   A" and resid   92 and name  HD1) 2.163 0.585 0.585 weight 1.000 ! spec=13C_..._new, no=1068, id=1023, vol=3.787312e+06
assign (segid "   A" and resid   91 and name   HA) (segid "   A" and resid   91 and name  HB2) 2.591 0.839 0.839 weight 1.000 ! spec=13C_..._new, no=1069, id=1024, vol=1.255477e+06
assign (segid "   A" and resid   91 and name   HA) (segid "   A" and resid   91 and name  HB1) 2.415 0.729 0.729 weight 1.000 ! spec=13C_..._new, no=1070, id=1025, vol=1.857095e+06
assign (segid "   A" and resid   91 and name  HB2) (segid "   A" and resid   91 and name   HN) 2.826 0.998 0.998 weight 1.000 ! spec=13C_..._new, no=1072, id=1027, vol=7.657196e+05
assign (segid "   A" and resid    1 and name   HA) (segid "   A" and resid    2 and name   HN) 2.216 0.614 0.614 weight 1.000 ! spec=13C_..._new, no=1080, id=1034, vol=2.555541e+06
assign (segid "   A" and resid   94 and name  HB1) (segid "   A" and resid   95 and name   HN) 2.339 0.684 0.684 weight 1.000 ! spec=13C_..._new, no=1083, id=1035, vol=1.959963e+06
    or (segid "   A" and resid   94 and name  HB3) (segid "   A" and resid   95 and name   HN)
    or (segid "   A" and resid   94 and name  HB2) (segid "   A" and resid   95 and name   HN)
assign (segid "   A" and resid   94 and name  HB1) (segid "   A" and resid   94 and name   HN) 2.092 0.547 0.547 weight 1.000 ! spec=13C_..._new, no=1084, id=1036, vol=3.925784e+06
    or (segid "   A" and resid   94 and name  HB3) (segid "   A" and resid   94 and name   HN)
    or (segid "   A" and resid   94 and name  HB2) (segid "   A" and resid   94 and name   HN)
assign (segid "   A" and resid   94 and name  HB1) (segid "   A" and resid   94 and name   HA) 1.924 0.463 0.463 weight 1.000 ! spec=13C_..._new, no=1085, id=1037, vol=6.221643e+06
    or (segid "   A" and resid   94 and name  HB3) (segid "   A" and resid   94 and name   HA)
    or (segid "   A" and resid   94 and name  HB2) (segid "   A" and resid   94 and name   HA)
assign (segid "   A" and resid   91 and name  HB2) (segid "   A" and resid   94 and name  HB1) 2.397 0.718 0.718 weight 1.000 ! spec=13C_..._new, no=1086, id=1038, vol=1.714067e+06
    or (segid "   A" and resid   91 and name  HB2) (segid "   A" and resid   94 and name  HB3)
    or (segid "   A" and resid   91 and name  HB2) (segid "   A" and resid   94 and name  HB2)
assign (segid "   A" and resid   91 and name  HB1) (segid "   A" and resid   94 and name  HB1) 2.514 0.790 0.790 weight 1.000 ! spec=13C_..._new, no=1087, id=1039, vol=5.834054e+05
    or (segid "   A" and resid   91 and name  HB1) (segid "   A" and resid   94 and name  HB3)
    or (segid "   A" and resid   91 and name  HB1) (segid "   A" and resid   94 and name  HB2)
assign (segid "   A" and resid   94 and name  HB1) (segid "   A" and resid   97 and name  HB2) 2.440 0.744 0.744 weight 1.000 ! spec=13C_..._new, no=1088, id=1040, vol=4.989444e+04
    or (segid "   A" and resid   94 and name  HB3) (segid "   A" and resid   97 and name  HB2)
    or (segid "   A" and resid   94 and name  HB2) (segid "   A" and resid   97 and name  HB2)
assign (segid "   A" and resid   94 and name  HB1) (segid "   A" and resid   87 and name HG12) 2.071 0.536 0.536 weight 1.000 ! spec=13C_..._new, no=1089, id=1041, vol=3.964501e+06
    or (segid "   A" and resid   94 and name  HB1) (segid "   A" and resid   87 and name HG11)
    or (segid "   A" and resid   94 and name  HB1) (segid "   A" and resid   87 and name HG13)
    or (segid "   A" and resid   94 and name  HB3) (segid "   A" and resid   87 and name HG12)
    or (segid "   A" and resid   94 and name  HB3) (segid "   A" and resid   87 and name HG11)
    or (segid "   A" and resid   94 and name  HB3) (segid "   A" and resid   87 and name HG13)
    or (segid "   A" and resid   94 and name  HB2) (segid "   A" and resid   87 and name HG12)
    or (segid "   A" and resid   94 and name  HB2) (segid "   A" and resid   87 and name HG11)
    or (segid "   A" and resid   94 and name  HB2) (segid "   A" and resid   87 and name HG13)
assign (segid "   A" and resid   95 and name   HA) (segid "   A" and resid   95 and name HD11) 2.005 0.502 0.502 weight 1.000 ! spec=13C_..._new, no=1090, id=1042, vol=6.278510e+06
    or (segid "   A" and resid   95 and name   HA) (segid "   A" and resid   95 and name HD13)
    or (segid "   A" and resid   95 and name   HA) (segid "   A" and resid   95 and name HD12)
assign (segid "   A" and resid   95 and name   HA) (segid "   A" and resid   95 and name   HB) 2.313 0.669 0.669 weight 1.000 ! spec=13C_..._new, no=1092, id=1044, vol=2.731426e+06
assign (segid "   A" and resid   95 and name   HA) (segid "   A" and resid   98 and name   HN) 2.840 1.008 1.008 weight 1.000 ! spec=13C_..._new, no=1093, id=1045, vol=5.569263e+05
assign (segid "   A" and resid   95 and name   HA) (segid "   A" and resid   95 and name   HN) 2.458 0.755 0.755 weight 1.000 ! spec=13C_..._new, no=1094, id=1046, vol=1.742846e+06
assign (segid "   A" and resid   95 and name   HB) (segid "   A" and resid   96 and name   HN) 2.632 0.866 0.866 weight 1.000 ! spec=13C_..._new, no=1096, id=1048, vol=1.092313e+06
assign (segid "   A" and resid   95 and name   HB) (segid "   A" and resid   92 and name   HA) 2.679 0.897 0.897 weight 1.000 ! spec=13C_..._new, no=1098, id=1050, vol=1.115226e+06
assign (segid "   A" and resid   95 and name HG23) (segid "   A" and resid   95 and name   HN) 2.623 0.860 0.860 weight 1.000 ! spec=13C_..._new, no=1101, id=1053, vol=7.963514e+05
    or (segid "   A" and resid   95 and name HG21) (segid "   A" and resid   95 and name   HN)
    or (segid "   A" and resid   95 and name HG22) (segid "   A" and resid   95 and name   HN)
assign (segid "   A" and resid   95 and name   HA) (segid "   A" and resid   95 and name HG23) 2.419 0.732 0.732 weight 1.000 ! spec=13C_..._new, no=1102, id=1054, vol=1.794569e+06
    or (segid "   A" and resid   95 and name   HA) (segid "   A" and resid   95 and name HG21)
    or (segid "   A" and resid   95 and name   HA) (segid "   A" and resid   95 and name HG22)
assign (segid "   A" and resid   95 and name   HB) (segid "   A" and resid   95 and name HG23) 2.093 0.548 0.548 weight 1.000 ! spec=13C_..._new, no=1103, id=1055, vol=3.893918e+06
    or (segid "   A" and resid   95 and name   HB) (segid "   A" and resid   95 and name HG21)
    or (segid "   A" and resid   95 and name   HB) (segid "   A" and resid   95 and name HG22)
assign (segid "   A" and resid   95 and name HG23) (segid "   A" and resid   99 and name HG21) 2.097 0.550 0.550 weight 1.000 ! spec=13C_..._new, no=1105, id=1057, vol=3.943896e+06
    or (segid "   A" and resid   95 and name HG23) (segid "   A" and resid   99 and name HG22)
    or (segid "   A" and resid   95 and name HG23) (segid "   A" and resid   99 and name HG23)
    or (segid "   A" and resid   95 and name HG21) (segid "   A" and resid   99 and name HG21)
    or (segid "   A" and resid   95 and name HG21) (segid "   A" and resid   99 and name HG22)
    or (segid "   A" and resid   95 and name HG21) (segid "   A" and resid   99 and name HG23)
    or (segid "   A" and resid   95 and name HG22) (segid "   A" and resid   99 and name HG21)
    or (segid "   A" and resid   95 and name HG22) (segid "   A" and resid   99 and name HG22)
    or (segid "   A" and resid   95 and name HG22) (segid "   A" and resid   99 and name HG23)
assign (segid "   A" and resid   95 and name HG23) (segid "   A" and resid   96 and name   HA) 2.775 0.963 0.963 weight 1.000 ! spec=13C_..._new, no=1106, id=1058, vol=5.506069e+05
    or (segid "   A" and resid   95 and name HG21) (segid "   A" and resid   96 and name   HA)
    or (segid "   A" and resid   95 and name HG22) (segid "   A" and resid   96 and name   HA)
assign (segid "   A" and resid   95 and name HG12) (segid "   A" and resid   99 and name HG12) 1.968 0.484 0.484 weight 1.000 ! spec=13C_..._new, no=1112, id=1063, vol=4.001206e+06
assign (segid "   A" and resid   96 and name   HA) (segid "   A" and resid   99 and name   HB) 2.189 0.599 0.599 weight 1.000 ! spec=13C_..._new, no=1116, id=1067, vol=3.211975e+06
assign (segid "   A" and resid   96 and name   HA) (segid "   A" and resid   43 and name  HD2) 2.861 1.023 1.023 weight 1.000 ! spec=13C_..._new, no=1117, id=1068, vol=4.988282e+05
    or (segid "   A" and resid   96 and name   HA) (segid "   A" and resid   43 and name  HD1)
assign (segid "   A" and resid   96 and name   HA) (segid "   A" and resid   96 and name   HN) 2.372 0.704 0.704 weight 1.000 ! spec=13C_..._new, no=1119, id=1070, vol=2.045092e+06
assign (segid "   A" and resid   97 and name   HA) (segid "   A" and resid   97 and name  HB1) 2.009 0.505 0.505 weight 1.000 ! spec=13C_..._new, no=1123, id=1074, vol=5.596672e+06
assign (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   10 and name   HN) 2.230 0.621 0.621 weight 1.000 ! spec=13C_..._new, no=1124, id=1075, vol=2.945666e+06
assign (segid "   A" and resid   98 and name   HA) (segid "   A" and resid   99 and name   HN) 2.439 0.743 0.743 weight 1.000 ! spec=13C_..._new, no=1127, id=1078, vol=1.369338e+06
assign (segid "   A" and resid   98 and name   HA) (segid "   A" and resid  102 and name   HN) 2.639 0.871 0.871 weight 1.000 ! spec=13C_..._new, no=1128, id=1079, vol=1.111071e+06
assign (segid "   A" and resid  103 and name   HA) (segid "   A" and resid   20 and name  HB2) 2.636 0.869 0.869 weight 1.000 ! spec=13C_..._new, no=1129, id=1080, vol=1.082303e+06
assign (segid "   A" and resid   95 and name   HA) (segid "   A" and resid   98 and name  HB1) 2.483 0.771 0.771 weight 1.000 ! spec=13C_..._new, no=1134, id=1085, vol=1.204453e+06
    or (segid "   A" and resid   95 and name   HA) (segid "   A" and resid   98 and name  HB3)
    or (segid "   A" and resid   95 and name   HA) (segid "   A" and resid   98 and name  HB2)
assign (segid "   A" and resid   98 and name   HA) (segid "   A" and resid   98 and name  HB1) 1.969 0.484 0.484 weight 1.000 ! spec=13C_..._new, no=1135, id=1086, vol=5.436543e+06
    or (segid "   A" and resid   98 and name   HA) (segid "   A" and resid   98 and name  HB3)
    or (segid "   A" and resid   98 and name   HA) (segid "   A" and resid   98 and name  HB2)
assign (segid "   A" and resid   98 and name  HB1) (segid "   A" and resid  102 and name HD21) 2.815 0.991 0.991 weight 1.000 ! spec=13C_..._new, no=1136, id=1087, vol=4.563541e+05
    or (segid "   A" and resid   98 and name  HB3) (segid "   A" and resid  102 and name HD21)
    or (segid "   A" and resid   98 and name  HB2) (segid "   A" and resid  102 and name HD21)
assign (segid "   A" and resid   98 and name  HB1) (segid "   A" and resid   98 and name   HN) 2.005 0.503 0.503 weight 1.000 ! spec=13C_..._new, no=1137, id=1088, vol=4.805399e+06
    or (segid "   A" and resid   98 and name  HB3) (segid "   A" and resid   98 and name   HN)
    or (segid "   A" and resid   98 and name  HB2) (segid "   A" and resid   98 and name   HN)
assign (segid "   A" and resid   98 and name  HB1) (segid "   A" and resid   99 and name   HN) 2.276 0.647 0.647 weight 1.000 ! spec=13C_..._new, no=1138, id=1089, vol=2.370198e+06
    or (segid "   A" and resid   98 and name  HB3) (segid "   A" and resid   99 and name   HN)
    or (segid "   A" and resid   98 and name  HB2) (segid "   A" and resid   99 and name   HN)
assign (segid "   A" and resid   98 and name  HB1) (segid "   A" and resid   77 and name   HN) 2.680 0.898 0.898 weight 1.000 ! spec=13C_..._new, no=1139, id=1090, vol=6.829265e+05
    or (segid "   A" and resid   98 and name  HB3) (segid "   A" and resid   77 and name   HN)
    or (segid "   A" and resid   98 and name  HB2) (segid "   A" and resid   77 and name   HN)
assign (segid "   A" and resid   99 and name   HA) (segid "   A" and resid  100 and name   HN) 2.902 1.052 1.052 weight 1.000 ! spec=13C_..._new, no=1140, id=1091, vol=5.841778e+05
assign (segid "   A" and resid   99 and name   HA) (segid "   A" and resid   99 and name   HN) 2.509 0.787 0.787 weight 1.000 ! spec=13C_..._new, no=1141, id=1092, vol=1.530418e+06
assign (segid "   A" and resid   77 and name HD13) (segid "   A" and resid   99 and name   HA) 2.110 0.556 0.556 weight 1.000 ! spec=13C_..._new, no=1145, id=1096, vol=4.735228e+06
    or (segid "   A" and resid   77 and name HD11) (segid "   A" and resid   99 and name   HA)
    or (segid "   A" and resid   77 and name HD12) (segid "   A" and resid   99 and name   HA)
assign (segid "   A" and resid   99 and name   HB) (segid "   A" and resid   99 and name HD13) 2.357 0.695 0.695 weight 1.000 ! spec=13C_..._new, no=1147, id=1098, vol=2.308107e+06
    or (segid "   A" and resid   99 and name   HB) (segid "   A" and resid   99 and name HD11)
    or (segid "   A" and resid   99 and name   HB) (segid "   A" and resid   99 and name HD12)
assign (segid "   A" and resid   99 and name   HB) (segid "   A" and resid   96 and name  HD2) 2.679 0.897 0.897 weight 1.000 ! spec=13C_..._new, no=1149, id=1100, vol=1.124705e+06
assign (segid "   A" and resid   99 and name   HB) (segid "   A" and resid  100 and name   HN) 2.540 0.806 0.806 weight 1.000 ! spec=13C_..._new, no=1152, id=1103, vol=1.451274e+06
assign (segid "   A" and resid   99 and name HD13) (segid "   A" and resid   99 and name HG21) 1.890 0.446 0.446 weight 1.000 ! spec=13C_..._new, no=1153, id=1104, vol=7.320351e+06
    or (segid "   A" and resid   99 and name HD13) (segid "   A" and resid   99 and name HG22)
    or (segid "   A" and resid   99 and name HD13) (segid "   A" and resid   99 and name HG23)
    or (segid "   A" and resid   99 and name HD11) (segid "   A" and resid   99 and name HG21)
    or (segid "   A" and resid   99 and name HD11) (segid "   A" and resid   99 and name HG22)
    or (segid "   A" and resid   99 and name HD11) (segid "   A" and resid   99 and name HG23)
    or (segid "   A" and resid   99 and name HD12) (segid "   A" and resid   99 and name HG21)
    or (segid "   A" and resid   99 and name HD12) (segid "   A" and resid   99 and name HG22)
    or (segid "   A" and resid   99 and name HD12) (segid "   A" and resid   99 and name HG23)
assign (segid "   A" and resid   99 and name HD13) (segid "   A" and resid  103 and name  HB3) 1.930 0.466 0.466 weight 1.000 ! spec=13C_..._new, no=1154, id=1105, vol=6.249188e+06
    or (segid "   A" and resid   99 and name HD13) (segid "   A" and resid  103 and name  HB1)
    or (segid "   A" and resid   99 and name HD13) (segid "   A" and resid  103 and name  HB2)
    or (segid "   A" and resid   99 and name HD11) (segid "   A" and resid  103 and name  HB3)
    or (segid "   A" and resid   99 and name HD11) (segid "   A" and resid  103 and name  HB1)
    or (segid "   A" and resid   99 and name HD11) (segid "   A" and resid  103 and name  HB2)
    or (segid "   A" and resid   99 and name HD12) (segid "   A" and resid  103 and name  HB3)
    or (segid "   A" and resid   99 and name HD12) (segid "   A" and resid  103 and name  HB1)
    or (segid "   A" and resid   99 and name HD12) (segid "   A" and resid  103 and name  HB2)
assign (segid "   A" and resid   99 and name   HA) (segid "   A" and resid   99 and name HD13) 2.191 0.600 0.600 weight 1.000 ! spec=13C_..._new, no=1156, id=1107, vol=2.964382e+06
    or (segid "   A" and resid   99 and name   HA) (segid "   A" and resid   99 and name HD11)
    or (segid "   A" and resid   99 and name   HA) (segid "   A" and resid   99 and name HD12)
assign (segid "   A" and resid   99 and name HD13) (segid "   A" and resid   47 and name  HE2) 2.743 0.940 0.940 weight 1.000 ! spec=13C_..._new, no=1158, id=1109, vol=5.730669e+05
    or (segid "   A" and resid   99 and name HD13) (segid "   A" and resid   47 and name  HE1)
    or (segid "   A" and resid   99 and name HD11) (segid "   A" and resid   47 and name  HE2)
    or (segid "   A" and resid   99 and name HD11) (segid "   A" and resid   47 and name  HE1)
    or (segid "   A" and resid   99 and name HD12) (segid "   A" and resid   47 and name  HE2)
    or (segid "   A" and resid   99 and name HD12) (segid "   A" and resid   47 and name  HE1)
assign (segid "   A" and resid   99 and name HG12) (segid "   A" and resid   99 and name HD13) 2.932 1.074 1.074 weight 1.000 ! spec=13C_..._new, no=1163, id=1114, vol=5.721534e+05
    or (segid "   A" and resid   99 and name HG12) (segid "   A" and resid   99 and name HD11)
    or (segid "   A" and resid   99 and name HG12) (segid "   A" and resid   99 and name HD12)
assign (segid "   A" and resid   99 and name HG12) (segid "   A" and resid   99 and name   HB) 2.932 1.075 1.075 weight 1.000 ! spec=13C_..._new, no=1164, id=1115, vol=5.623622e+05
assign (segid "   A" and resid   99 and name   HB) (segid "   A" and resid   99 and name HG21) 2.196 0.603 0.603 weight 1.000 ! spec=13C_..._new, no=1168, id=1119, vol=2.811844e+06
    or (segid "   A" and resid   99 and name   HB) (segid "   A" and resid   99 and name HG22)
    or (segid "   A" and resid   99 and name   HB) (segid "   A" and resid   99 and name HG23)
assign (segid "   A" and resid   99 and name HG21) (segid "   A" and resid   96 and name  HD2) 2.100 0.551 0.551 weight 1.000 ! spec=13C_..._new, no=1169, id=1120, vol=3.713517e+06
    or (segid "   A" and resid   99 and name HG22) (segid "   A" and resid   96 and name  HD2)
    or (segid "   A" and resid   99 and name HG23) (segid "   A" and resid   96 and name  HD2)
assign (segid "   A" and resid   96 and name   HA) (segid "   A" and resid   99 and name HG21) 2.369 0.701 0.701 weight 1.000 ! spec=13C_..._new, no=1170, id=1121, vol=1.909138e+06
    or (segid "   A" and resid   96 and name   HA) (segid "   A" and resid   99 and name HG22)
    or (segid "   A" and resid   96 and name   HA) (segid "   A" and resid   99 and name HG23)
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid   60 and name HD13) 2.175 0.591 0.591 weight 1.000 ! spec=13C_..._new, no=1173, id=1124, vol=3.587867e+06
    or (segid "   A" and resid    8 and name   HA) (segid "   A" and resid   60 and name HD11)
    or (segid "   A" and resid    8 and name   HA) (segid "   A" and resid   60 and name HD12)
assign (segid "   A" and resid  100 and name  HB2) (segid "   A" and resid  100 and name   HN) 1.988 0.494 0.494 weight 1.000 ! spec=13C_..._new, no=1174, id=1125, vol=5.746194e+06
    or (segid "   A" and resid  100 and name  HB1) (segid "   A" and resid  100 and name   HN)
    or (segid "   A" and resid  100 and name  HB3) (segid "   A" and resid  100 and name   HN)
assign (segid "   A" and resid  100 and name  HB2) (segid "   A" and resid  101 and name   HN) 2.221 0.617 0.617 weight 1.000 ! spec=13C_..._new, no=1175, id=1126, vol=3.272216e+06
    or (segid "   A" and resid  100 and name  HB1) (segid "   A" and resid  101 and name   HN)
    or (segid "   A" and resid  100 and name  HB3) (segid "   A" and resid  101 and name   HN)
assign (segid "   A" and resid  101 and name  HB2) (segid "   A" and resid  101 and name   HA) 1.878 0.441 0.441 weight 1.000 ! spec=13C_..._new, no=1178, id=1129, vol=6.948410e+06
    or (segid "   A" and resid  101 and name  HB1) (segid "   A" and resid  101 and name   HA)
    or (segid "   A" and resid  101 and name  HB3) (segid "   A" and resid  101 and name   HA)
assign (segid "   A" and resid  101 and name  HB2) (segid "   A" and resid  101 and name   HN) 1.964 0.482 0.482 weight 1.000 ! spec=13C_..._new, no=1181, id=1132, vol=5.586397e+06
    or (segid "   A" and resid  101 and name  HB1) (segid "   A" and resid  101 and name   HN)
    or (segid "   A" and resid  101 and name  HB3) (segid "   A" and resid  101 and name   HN)
assign (segid "   A" and resid  102 and name  HB2) (segid "   A" and resid  102 and name   HA) 2.969 1.102 1.102 weight 1.000 ! spec=13C_..._new, no=1187, id=1138, vol=5.299749e+05
assign (segid "   A" and resid  102 and name  HB2) (segid "   A" and resid  102 and name HD21) 2.635 0.868 0.868 weight 1.000 ! spec=13C_..._new, no=1188, id=1139, vol=1.100715e+06
assign (segid "   A" and resid  102 and name   HA) (segid "   A" and resid  102 and name  HB1) 2.564 0.822 0.822 weight 1.000 ! spec=13C_..._new, no=1190, id=1141, vol=1.209498e+06
assign (segid "   A" and resid  102 and name  HB2) (segid "   A" and resid  102 and name  HB1) 2.056 0.528 0.528 weight 1.000 ! spec=13C_..._new, no=1193, id=1144, vol=4.703846e+06
assign (segid "   A" and resid   84 and name HG11) (segid "   A" and resid  102 and name  HB1) 2.693 0.907 0.907 weight 1.000 ! spec=13C_..._new, no=1195, id=1146, vol=9.286263e+05
    or (segid "   A" and resid   84 and name HG12) (segid "   A" and resid  102 and name  HB1)
    or (segid "   A" and resid   84 and name HG13) (segid "   A" and resid  102 and name  HB1)
assign (segid "   A" and resid  103 and name   HA) (segid "   A" and resid  103 and name  HB3) 2.044 0.522 0.522 weight 1.000 ! spec=13C_..._new, no=1199, id=1150, vol=4.382544e+06
    or (segid "   A" and resid  103 and name   HA) (segid "   A" and resid  103 and name  HB1)
    or (segid "   A" and resid  103 and name   HA) (segid "   A" and resid  103 and name  HB2)
assign (segid "   A" and resid  103 and name  HB3) (segid "   A" and resid  103 and name   HN) 2.067 0.534 0.534 weight 1.000 ! spec=13C_..._new, no=1202, id=1153, vol=4.385138e+06
    or (segid "   A" and resid  103 and name  HB1) (segid "   A" and resid  103 and name   HN)
    or (segid "   A" and resid  103 and name  HB2) (segid "   A" and resid  103 and name   HN)
assign (segid "   A" and resid   68 and name  HB2) (segid "   A" and resid   68 and name  HB1) 1.849 0.427 0.427 weight 1.000 ! spec=13C_..._new, no=1209, id=1160, vol=1.054373e+07
assign (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   26 and name  HD2) 2.822 0.995 0.995 weight 1.000 ! spec=13C_..._new, no=1211, id=1162, vol=8.219969e+05
    or (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   26 and name  HD1)
assign (segid "   A" and resid   43 and name  HB1) (segid "   A" and resid   43 and name   HN) 2.931 1.074 1.074 weight 1.000 ! spec=13C_..._new, no=1214, id=1165, vol=5.680636e+05
assign (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   26 and name   HA) 2.258 0.637 0.637 weight 1.000 ! spec=13C_..._new, no=1217, id=1168, vol=2.735657e+06
assign (segid "   A" and resid   26 and name   HA) (segid "   A" and resid   27 and name   HN) 2.306 0.665 0.665 weight 1.000 ! spec=13C_..._new, no=1219, id=1169, vol=2.418437e+06
assign (segid "   A" and resid   26 and name   HA) (segid "   A" and resid   26 and name  HD2) 2.472 0.764 0.764 weight 1.000 ! spec=13C_..._new, no=1220, id=1170, vol=1.617950e+06
    or (segid "   A" and resid   26 and name   HA) (segid "   A" and resid   26 and name  HD1)
assign (segid "   A" and resid   26 and name   HA) (segid "   A" and resid   26 and name   HN) 2.644 0.874 0.874 weight 1.000 ! spec=13C_..._new, no=1221, id=1171, vol=1.041454e+06
assign (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   26 and name   HA) 2.849 1.014 1.014 weight 1.000 ! spec=13C_..._new, no=1222, id=1172, vol=7.067297e+05
assign (segid "   A" and resid    5 and name  HB2) (segid "   A" and resid    5 and name   HA) 2.745 0.942 0.942 weight 1.000 ! spec=13C_..._new, no=1223, id=1173, vol=5.933750e+05
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid    5 and name   HZ) 2.924 1.069 1.069 weight 1.000 ! spec=13C_..._new, no=1224, id=1174, vol=6.839984e+05
assign (segid "   A" and resid   43 and name   HA) (segid "   A" and resid   46 and name  HG2) 2.526 0.798 0.798 weight 1.000 ! spec=13C_..._new, no=1227, id=1177, vol=1.084362e+06
assign (segid "   A" and resid   43 and name   HA) (segid "   A" and resid   43 and name  HD2) 2.344 0.687 0.687 weight 1.000 ! spec=13C_..._new, no=1228, id=1178, vol=2.052541e+06
    or (segid "   A" and resid   43 and name   HA) (segid "   A" and resid   43 and name  HD1)
assign (segid "   A" and resid   43 and name   HA) (segid "   A" and resid   46 and name   HN) 2.905 1.055 1.055 weight 1.000 ! spec=13C_..._new, no=1229, id=1179, vol=5.731286e+05
assign (segid "   A" and resid   43 and name   HA) (segid "   A" and resid   43 and name   HN) 2.697 0.909 0.909 weight 1.000 ! spec=13C_..._new, no=1230, id=1180, vol=8.074813e+05
assign (segid "   A" and resid   92 and name  HD2) (segid "   A" and resid   92 and name  HD1) 1.970 0.485 0.485 weight 1.000 ! spec=13C_..._new, no=1236, id=1186, vol=6.399925e+06
assign (segid "   A" and resid   92 and name  HD2) (segid "   A" and resid   92 and name  HG2) 2.718 0.923 0.923 weight 1.000 ! spec=13C_..._new, no=1241, id=1191, vol=7.937009e+05
assign (segid "   A" and resid   92 and name  HD1) (segid "   A" and resid   92 and name  HG2) 2.613 0.853 0.853 weight 1.000 ! spec=13C_..._new, no=1242, id=1192, vol=1.148654e+06
assign (segid "   A" and resid   36 and name HG21) (segid "   A" and resid   36 and name   HA) 2.381 0.709 0.709 weight 1.000 ! spec=13C_..._new, no=1246, id=1195, vol=1.940431e+06
    or (segid "   A" and resid   36 and name HG23) (segid "   A" and resid   36 and name   HA)
    or (segid "   A" and resid   36 and name HG22) (segid "   A" and resid   36 and name   HA)
assign (segid "   A" and resid   36 and name HG21) (segid "   A" and resid   92 and name  HG2) 2.183 0.596 0.596 weight 1.000 ! spec=13C_..._new, no=1247, id=1196, vol=2.850902e+06
    or (segid "   A" and resid   36 and name HG23) (segid "   A" and resid   92 and name  HG2)
    or (segid "   A" and resid   36 and name HG22) (segid "   A" and resid   92 and name  HG2)
assign (segid "   A" and resid   55 and name  HB2) (segid "   A" and resid   55 and name HD11) 2.636 0.869 0.869 weight 1.000 ! spec=13C_..._new, no=1249, id=1198, vol=1.192551e+06
    or (segid "   A" and resid   55 and name  HB2) (segid "   A" and resid   55 and name HD12)
    or (segid "   A" and resid   55 and name  HB2) (segid "   A" and resid   55 and name HD13)
assign (segid "   A" and resid   67 and name  HB2) (segid "   A" and resid   67 and name   HA) 3.055 1.167 1.167 weight 1.000 ! spec=13C_..._new, no=1252, id=1201, vol=4.837207e+05
assign (segid "   A" and resid   22 and name   HB) (segid "   A" and resid   22 and name HG11) 1.874 0.439 0.439 weight 1.000 ! spec=13C_..._new, no=1262, id=1207, vol=7.649406e+06
    or (segid "   A" and resid   22 and name   HB) (segid "   A" and resid   22 and name HG13)
    or (segid "   A" and resid   22 and name   HB) (segid "   A" and resid   22 and name HG12)
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   22 and name HG11) 2.314 0.670 0.670 weight 1.000 ! spec=13C_..._new, no=1265, id=1210, vol=2.033199e+06
    or (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   22 and name HG13)
    or (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   22 and name HG12)
assign (segid "   A" and resid   49 and name  HB1) (segid "   A" and resid   49 and name   HA) 2.676 0.895 0.895 weight 1.000 ! spec=13C_..._new, no=1268, id=1213, vol=1.275820e+06
assign (segid "   A" and resid   55 and name  HB1) (segid "   A" and resid   60 and name   HG) 2.539 0.806 0.806 weight 1.000 ! spec=13C_..._new, no=1270, id=1215, vol=1.414389e+06
assign (segid "   A" and resid   55 and name  HB1) (segid "   A" and resid   25 and name  HD1) 2.941 1.081 1.081 weight 1.000 ! spec=13C_..._new, no=1272, id=1217, vol=5.814951e+05
    or (segid "   A" and resid   55 and name  HB1) (segid "   A" and resid   25 and name  HD2)
assign (segid "   A" and resid   40 and name   HB) (segid "   A" and resid   40 and name   HN) 2.406 0.724 0.724 weight 1.000 ! spec=13C_..._new, no=1275, id=1220, vol=2.016703e+06
assign (segid "   A" and resid   63 and name HG21) (segid "   A" and resid   67 and name HD22) 2.462 0.758 0.758 weight 1.000 ! spec=13C_..._new, no=1282, id=1227, vol=1.195046e+06
    or (segid "   A" and resid   63 and name HG23) (segid "   A" and resid   67 and name HD22)
    or (segid "   A" and resid   63 and name HG22) (segid "   A" and resid   67 and name HD22)
assign (segid "   A" and resid   20 and name  HB1) (segid "   A" and resid   20 and name  HB2) 2.309 0.667 0.667 weight 1.000 ! spec=13C_..._new, no=1284, id=1229, vol=2.559782e+06
assign (segid "   A" and resid   74 and name   HA) (segid "   A" and resid   89 and name   HN) 2.701 0.912 0.912 weight 1.000 ! spec=13C_..._new, no=1285, id=1230, vol=7.524982e+05
assign (segid "   A" and resid   53 and name  HB1) (segid "   A" and resid   53 and name   HA) 3.112 1.211 1.211 weight 1.000 ! spec=13C_..._new, no=1286, id=1231, vol=4.316394e+05
assign (segid "   A" and resid   74 and name   HB) (segid "   A" and resid   69 and name HG21) 3.076 1.183 1.183 weight 1.000 ! spec=13C_..._new, no=1289, id=1233, vol=4.612617e+05
    or (segid "   A" and resid   74 and name   HB) (segid "   A" and resid   69 and name HG22)
    or (segid "   A" and resid   74 and name   HB) (segid "   A" and resid   69 and name HG23)
assign (segid "   A" and resid   79 and name  HB2) (segid "   A" and resid   82 and name   HN) 3.016 1.137 1.137 weight 1.000 ! spec=13C_..._new, no=1291, id=1235, vol=4.707684e+05
assign (segid "   A" and resid   79 and name  HB2) (segid "   A" and resid   83 and name   HN) 2.998 1.124 1.124 weight 1.000 ! spec=13C_..._new, no=1294, id=1238, vol=4.819395e+05
assign (segid "   A" and resid   79 and name  HB2) (segid "   A" and resid   83 and name   HA) 2.981 1.111 1.111 weight 1.000 ! spec=13C_..._new, no=1295, id=1239, vol=5.149342e+05
assign (segid "   A" and resid   79 and name  HB2) (segid "   A" and resid   84 and name HG11) 3.073 1.180 1.180 weight 1.000 ! spec=13C_..._new, no=1296, id=1240, vol=3.942812e+05
    or (segid "   A" and resid   79 and name  HB2) (segid "   A" and resid   84 and name HG12)
    or (segid "   A" and resid   79 and name  HB2) (segid "   A" and resid   84 and name HG13)
assign (segid "   A" and resid   54 and name  HB2) (segid "   A" and resid   26 and name  HB2) 2.980 1.110 1.110 weight 1.000 ! spec=13C_..._new, no=1297, id=1241, vol=3.709694e+05
assign (segid "   A" and resid   87 and name HG21) (segid "   A" and resid   95 and name   HA) 2.274 0.646 0.646 weight 1.000 ! spec=13C_..._new, no=1317, id=1256, vol=2.270124e+06
    or (segid "   A" and resid   87 and name HG23) (segid "   A" and resid   95 and name   HA)
    or (segid "   A" and resid   87 and name HG22) (segid "   A" and resid   95 and name   HA)
assign (segid "   A" and resid   40 and name   HB) (segid "   A" and resid   54 and name  HD2) 2.499 0.781 0.781 weight 1.000 ! spec=13C_..._new, no=1319, id=1258, vol=1.546662e+06
assign (segid "   A" and resid   36 and name HG11) (segid "   A" and resid   36 and name   HB) 2.454 0.753 0.753 weight 1.000 ! spec=13C_..._new, no=1320, id=1259, vol=1.527540e+06
assign (segid "   A" and resid   32 and name   HA) (segid "   A" and resid   33 and name   HN) 3.008 1.131 1.131 weight 1.000 ! spec=13C_..._new, no=1324, id=1260, vol=4.649831e+05
assign (segid "   A" and resid   32 and name   HA) (segid "   A" and resid   90 and name  HB3) 2.768 0.958 0.958 weight 1.000 ! spec=13C_..._new, no=1325, id=1261, vol=2.164082e+05
    or (segid "   A" and resid   32 and name   HA) (segid "   A" and resid   90 and name  HB1)
    or (segid "   A" and resid   32 and name   HA) (segid "   A" and resid   90 and name  HB2)
assign (segid "   A" and resid   37 and name  HB3) (segid "   A" and resid   26 and name  HE2) 2.878 1.035 1.035 weight 1.000 ! spec=13C_..._new, no=1326, id=1262, vol=3.269153e+05
    or (segid "   A" and resid   37 and name  HB3) (segid "   A" and resid   26 and name  HE1)
    or (segid "   A" and resid   37 and name  HB1) (segid "   A" and resid   26 and name  HE2)
    or (segid "   A" and resid   37 and name  HB1) (segid "   A" and resid   26 and name  HE1)
    or (segid "   A" and resid   37 and name  HB2) (segid "   A" and resid   26 and name  HE2)
    or (segid "   A" and resid   37 and name  HB2) (segid "   A" and resid   26 and name  HE1)
assign (segid "   A" and resid   31 and name  HA2) (segid "   A" and resid   31 and name  HA1) 2.050 0.525 0.525 weight 1.000 ! spec=13C_..._new, no=1346, id=1277, vol=4.701519e+06
assign (segid "   A" and resid   31 and name  HA1) (segid "   A" and resid   34 and name  HB1) 3.144 1.235 1.235 weight 1.000 ! spec=13C_..._new, no=1379, id=1301, vol=2.345319e+05
assign (segid "   A" and resid   32 and name  HD1) (segid "   A" and resid   72 and name  HE1) 2.701 0.912 0.912 weight 1.000 ! spec=13C_..._new, no=1380, id=1302, vol=7.928559e+05
    or (segid "   A" and resid   32 and name  HD1) (segid "   A" and resid   72 and name  HE2)
    or (segid "   A" and resid   32 and name  HD1) (segid "   A" and resid   72 and name  HE3)
assign (segid "   A" and resid   32 and name  HD1) (segid "   A" and resid   30 and name  HB2) 2.733 0.934 0.934 weight 1.000 ! spec=13C_..._new, no=1381, id=1303, vol=7.971579e+05
assign (segid "   A" and resid   32 and name  HD1) (segid "   A" and resid   31 and name  HA2) 2.935 1.077 1.077 weight 1.000 ! spec=13C_..._new, no=1383, id=1305, vol=5.030022e+05
assign (segid "   A" and resid   32 and name  HD1) (segid "   A" and resid   32 and name  HG2) 3.070 1.178 1.178 weight 1.000 ! spec=13C_..._new, no=1384, id=1306, vol=3.739811e+05
assign (segid "   A" and resid   32 and name  HD2) (segid "   A" and resid   33 and name   HN) 3.149 1.240 1.240 weight 1.000 ! spec=13C_..._new, no=1385, id=1307, vol=2.978104e+05
assign (segid "   A" and resid   32 and name  HD2) (segid "   A" and resid   31 and name  HA2) 2.883 1.039 1.039 weight 1.000 ! spec=13C_..._new, no=1387, id=1309, vol=5.895892e+05
assign (segid "   A" and resid   32 and name  HD2) (segid "   A" and resid   30 and name  HB2) 2.683 0.900 0.900 weight 1.000 ! spec=13C_..._new, no=1388, id=1310, vol=8.839443e+05
assign (segid "   A" and resid   32 and name  HD2) (segid "   A" and resid   72 and name  HE1) 2.680 0.898 0.898 weight 1.000 ! spec=13C_..._new, no=1389, id=1311, vol=8.311407e+05
    or (segid "   A" and resid   32 and name  HD2) (segid "   A" and resid   72 and name  HE2)
    or (segid "   A" and resid   32 and name  HD2) (segid "   A" and resid   72 and name  HE3)
assign (segid "   A" and resid   30 and name  HB1) (segid "   A" and resid   30 and name   HA) 2.861 1.023 1.023 weight 1.000 ! spec=13C_..._new, no=1392, id=1314, vol=6.381279e+05
assign (segid "   A" and resid   30 and name  HB1) (segid "   A" and resid   30 and name  HB2) 1.877 0.440 0.440 weight 1.000 ! spec=13C_..._new, no=1393, id=1315, vol=8.629016e+06
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    2 and name HG13) 2.968 1.101 1.101 weight 1.000 ! spec=15N_..._new, no=1, id=1319, vol=6.954377e+05
    or (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    2 and name HG12)
    or (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    2 and name HG11)
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    2 and name   HB) 2.829 1.001 1.001 weight 1.000 ! spec=15N_..._new, no=2, id=1320, vol=9.743918e+05
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    1 and name  HG2) 3.554 1.579 1.579 weight 1.000 ! spec=15N_..._new, no=4, id=1322, vol=2.447116e+05
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid   53 and name  HB2) 3.550 1.576 1.576 weight 1.000 ! spec=15N_..._new, no=9, id=1326, vol=2.086360e+05
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid   54 and name   HN) 3.337 1.392 1.392 weight 1.000 ! spec=15N_..._new, no=14, id=1331, vol=4.228594e+05
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    4 and name   HN) 3.604 1.624 1.624 weight 1.000 ! spec=15N_..._new, no=15, id=1332, vol=1.578804e+05
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid   53 and name  HD1) 3.529 1.556 1.556 weight 1.000 ! spec=15N_..._new, no=16, id=1333, vol=2.480845e+05
    or (segid "   A" and resid    3 and name   HN) (segid "   A" and resid   53 and name  HD2)
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name   HN) 2.383 0.710 0.710 weight 1.000 ! spec=15N_..._new, no=18, id=1335, vol=2.577964e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name   HA) 2.206 0.608 0.608 weight 1.000 ! spec=15N_..._new, no=19, id=1336, vol=4.165242e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name   HB) 3.453 1.491 1.491 weight 1.000 ! spec=15N_..._new, no=20, id=1337, vol=2.203333e+05
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name  HB2) 2.571 0.826 0.826 weight 1.000 ! spec=15N_..._new, no=22, id=1339, vol=1.657088e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name  HD2) 3.051 1.164 1.164 weight 1.000 ! spec=15N_..._new, no=24, id=1341, vol=6.818768e+05
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name  HD1)
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    5 and name   HN) 2.173 0.590 0.590 weight 1.000 ! spec=15N_..._new, no=25, id=1342, vol=5.071607e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name  HB2) 2.902 1.053 1.053 weight 1.000 ! spec=15N_..._new, no=26, id=1343, vol=8.570113e+05
assign (segid "   A" and resid    5 and name  HB1) (segid "   A" and resid    5 and name   HN) 2.468 0.761 0.761 weight 1.000 ! spec=15N_..._new, no=27, id=1344, vol=2.330546e+06
assign (segid "   A" and resid   56 and name   HN) (segid "   A" and resid   55 and name  HB1) 3.024 1.143 1.143 weight 1.000 ! spec=15N_..._new, no=29, id=1346, vol=6.588174e+05
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    3 and name HG21) 3.037 1.153 1.153 weight 1.000 ! spec=15N_..._new, no=30, id=1347, vol=5.388743e+05
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    3 and name HG23)
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    3 and name HG22)
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid   55 and name HD11) 3.175 1.260 1.260 weight 1.000 ! spec=15N_..._new, no=31, id=1348, vol=4.535142e+05
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid   55 and name HD12)
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid   55 and name HD13)
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid   55 and name   HA) 3.196 1.277 1.277 weight 1.000 ! spec=15N_..._new, no=32, id=1349, vol=3.787394e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid   55 and name HD11) 3.357 1.409 1.409 weight 1.000 ! spec=15N_..._new, no=34, id=1351, vol=3.068066e+05
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid   55 and name HD12)
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid   55 and name HD13)
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    7 and name HG23) 3.407 1.451 1.451 weight 1.000 ! spec=15N_..._new, no=35, id=1352, vol=2.237029e+05
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    7 and name HG22)
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    7 and name HG21)
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name  HG1) 2.846 1.013 1.013 weight 1.000 ! spec=15N_..._new, no=36, id=1353, vol=9.168534e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name  HB1) 3.248 1.319 1.319 weight 1.000 ! spec=15N_..._new, no=38, id=1355, vol=3.736041e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name  HB2) 3.036 1.152 1.152 weight 1.000 ! spec=15N_..._new, no=39, id=1356, vol=6.582282e+05
assign (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    6 and name   HN) 2.208 0.610 0.610 weight 1.000 ! spec=15N_..._new, no=40, id=1357, vol=4.569573e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name  HD2) 3.051 1.163 1.163 weight 1.000 ! spec=15N_..._new, no=41, id=1358, vol=7.127030e+05
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name  HD1)
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    7 and name   HN) 2.162 0.584 0.584 weight 1.000 ! spec=15N_..._new, no=43, id=1360, vol=4.887348e+06
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    5 and name  HD2) 3.265 1.332 1.332 weight 1.000 ! spec=15N_..._new, no=45, id=1362, vol=4.805672e+05
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    5 and name  HD1)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name   HA) 2.426 0.736 0.736 weight 1.000 ! spec=15N_..._new, no=46, id=1363, vol=2.588112e+06
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    5 and name  HB2) 2.914 1.061 1.061 weight 1.000 ! spec=15N_..._new, no=47, id=1364, vol=7.797485e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name HG23) 2.687 0.903 0.903 weight 1.000 ! spec=15N_..._new, no=51, id=1368, vol=1.241794e+06
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name HG22)
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name HG21)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid   60 and name HD13) 2.935 1.077 1.077 weight 1.000 ! spec=15N_..._new, no=52, id=1369, vol=6.542572e+05
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid   60 and name HD11)
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid   60 and name HD12)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name  HG1) 3.385 1.433 1.433 weight 1.000 ! spec=15N_..._new, no=53, id=1370, vol=2.288977e+05
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name   HN) 3.412 1.455 1.455 weight 1.000 ! spec=15N_..._new, no=55, id=1372, vol=2.627486e+05
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name   HA) 2.054 0.527 0.527 weight 1.000 ! spec=15N_..._new, no=56, id=1373, vol=6.705675e+06
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    9 and name   HN) 3.297 1.359 1.359 weight 1.000 ! spec=15N_..._new, no=61, id=1378, vol=3.819471e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   10 and name   HN) 3.076 1.183 1.183 weight 1.000 ! spec=15N_..._new, no=62, id=1379, vol=6.490378e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name  HB1) 3.102 1.203 1.203 weight 1.000 ! spec=15N_..._new, no=66, id=1383, vol=5.809050e+05
    or (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name  HB2)
    or (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name  HB3)
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name  HG2) 2.425 0.735 0.735 weight 1.000 ! spec=15N_..._new, no=72, id=1389, vol=2.378520e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    7 and name HG23) 3.218 1.295 1.295 weight 1.000 ! spec=15N_..._new, no=73, id=1390, vol=3.259358e+05
    or (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    7 and name HG22)
    or (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    7 and name HG21)
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   11 and name   HN) 2.418 0.731 0.731 weight 1.000 ! spec=15N_..._new, no=74, id=1391, vol=2.942650e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid    8 and name   HA) 2.853 1.018 1.018 weight 1.000 ! spec=15N_..._new, no=75, id=1392, vol=1.067233e+06
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   11 and name   HN) 2.239 0.627 0.627 weight 1.000 ! spec=15N_..._new, no=76, id=1393, vol=4.619866e+06
assign (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   11 and name   HN) 2.462 0.758 0.758 weight 1.000 ! spec=15N_..._new, no=77, id=1394, vol=2.708005e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid    5 and name  HD2) 3.255 1.324 1.324 weight 1.000 ! spec=15N_..._new, no=78, id=1395, vol=4.439402e+05
    or (segid "   A" and resid   11 and name   HN) (segid "   A" and resid    5 and name  HD1)
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   40 and name   HA) 2.888 1.042 1.042 weight 1.000 ! spec=15N_..._new, no=83, id=1400, vol=8.466158e+05
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   36 and name HG11) 2.555 0.816 0.816 weight 1.000 ! spec=15N_..._new, no=85, id=1402, vol=1.811968e+06
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   36 and name HD12) 3.088 1.192 1.192 weight 1.000 ! spec=15N_..._new, no=86, id=1403, vol=6.139734e+05
    or (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   36 and name HD11)
    or (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   36 and name HD13)
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   11 and name   HN) 3.249 1.320 1.320 weight 1.000 ! spec=15N_..._new, no=88, id=1405, vol=4.286865e+05
assign (segid "   A" and resid   13 and name  HB2) (segid "   A" and resid   13 and name   HN) 2.165 0.586 0.586 weight 1.000 ! spec=15N_..._new, no=90, id=1407, vol=4.568420e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name  HB2) 2.376 0.705 0.705 weight 1.000 ! spec=15N_..._new, no=91, id=1408, vol=2.642284e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   14 and name  HB1) 3.202 1.282 1.282 weight 1.000 ! spec=15N_..._new, no=92, id=1409, vol=4.930844e+05
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   14 and name  HB2)
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   14 and name  HB3)
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   16 and name   HN) 2.950 1.088 1.088 weight 1.000 ! spec=15N_..._new, no=94, id=1411, vol=6.720004e+05
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name   HA) 2.406 0.724 0.724 weight 1.000 ! spec=15N_..._new, no=95, id=1412, vol=2.498939e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name  HB2) 2.468 0.762 0.762 weight 1.000 ! spec=15N_..._new, no=96, id=1413, vol=2.134939e+06
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   14 and name   HN) 3.198 1.279 1.279 weight 1.000 ! spec=15N_..._new, no=97, id=1414, vol=5.034191e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name   HN) 2.479 0.768 0.768 weight 1.000 ! spec=15N_..._new, no=99, id=1416, vol=2.137539e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   16 and name   HN) 2.411 0.727 0.727 weight 1.000 ! spec=15N_..._new, no=100, id=1417, vol=2.507987e+06
assign (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   15 and name   HN) 2.933 1.076 1.076 weight 1.000 ! spec=15N_..._new, no=101, id=1418, vol=8.205894e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   11 and name   HA) 3.413 1.456 1.456 weight 1.000 ! spec=15N_..._new, no=103, id=1420, vol=2.707035e+05
assign (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   15 and name   HN) 2.383 0.710 0.710 weight 1.000 ! spec=15N_..._new, no=104, id=1421, vol=2.791910e+06
    or (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   15 and name   HN)
    or (segid "   A" and resid   14 and name  HB3) (segid "   A" and resid   15 and name   HN)
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name HG11) 2.273 0.646 0.646 weight 1.000 ! spec=15N_..._new, no=105, id=1422, vol=3.697364e+06
assign (segid "   A" and resid   15 and name HD12) (segid "   A" and resid   15 and name   HN) 2.986 1.114 1.114 weight 1.000 ! spec=15N_..._new, no=106, id=1423, vol=6.386855e+05
    or (segid "   A" and resid   15 and name HD11) (segid "   A" and resid   15 and name   HN)
    or (segid "   A" and resid   15 and name HD13) (segid "   A" and resid   15 and name   HN)
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name HG21) 2.307 0.665 0.665 weight 1.000 ! spec=15N_..._new, no=107, id=1424, vol=3.362835e+06
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name HG23)
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name HG22)
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name HG21) 3.272 1.338 1.338 weight 1.000 ! spec=15N_..._new, no=108, id=1425, vol=4.233855e+05
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name HG23)
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name HG22)
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name HG11) 2.597 0.843 0.843 weight 1.000 ! spec=15N_..._new, no=109, id=1426, vol=1.641421e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name   HA) 2.923 1.068 1.068 weight 1.000 ! spec=15N_..._new, no=111, id=1428, vol=8.273025e+05
assign (segid "   A" and resid   17 and name  HG1) (segid "   A" and resid   17 and name   HN) 2.347 0.689 0.689 weight 1.000 ! spec=15N_..._new, no=117, id=1434, vol=2.833937e+06
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name  HB1) 2.364 0.699 0.699 weight 1.000 ! spec=15N_..._new, no=119, id=1436, vol=2.659602e+06
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   15 and name   HA) 3.194 1.275 1.275 weight 1.000 ! spec=15N_..._new, no=122, id=1439, vol=5.029603e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   17 and name   HN) 2.475 0.765 0.765 weight 1.000 ! spec=15N_..._new, no=124, id=1440, vol=2.084905e+06
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   80 and name   HN) 3.418 1.460 1.460 weight 1.000 ! spec=15N_..._new, no=126, id=1442, vol=1.744239e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   80 and name   HN) 3.544 1.570 1.570 weight 1.000 ! spec=15N_..._new, no=127, id=1443, vol=2.796998e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   19 and name   HN) 3.349 1.402 1.402 weight 1.000 ! spec=15N_..._new, no=128, id=1444, vol=3.339057e+05
assign (segid "   A" and resid   55 and name   HN) (segid "   A" and resid   26 and name  HD2) 3.110 1.209 1.209 weight 1.000 ! spec=15N_..._new, no=129, id=1445, vol=5.772237e+05
    or (segid "   A" and resid   55 and name   HN) (segid "   A" and resid   26 and name  HD1)
assign (segid "   A" and resid   55 and name   HN) (segid "   A" and resid   25 and name   HA) 3.093 1.196 1.196 weight 1.000 ! spec=15N_..._new, no=133, id=1449, vol=6.285227e+05
assign (segid "   A" and resid   18 and name  HB2) (segid "   A" and resid   18 and name   HN) 2.650 0.878 0.878 weight 1.000 ! spec=15N_..._new, no=134, id=1450, vol=1.666125e+06
assign (segid "   A" and resid   18 and name  HB1) (segid "   A" and resid   18 and name   HN) 2.762 0.953 0.953 weight 1.000 ! spec=15N_..._new, no=135, id=1451, vol=1.292644e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name  HB2) 3.109 1.208 1.208 weight 1.000 ! spec=15N_..._new, no=137, id=1453, vol=7.566330e+05
assign (segid "   A" and resid   55 and name   HN) (segid "   A" and resid   55 and name   HG) 2.834 1.004 1.004 weight 1.000 ! spec=15N_..._new, no=138, id=1454, vol=1.157096e+06
assign (segid "   A" and resid   55 and name   HN) (segid "   A" and resid   55 and name  HB2) 2.505 0.784 0.784 weight 1.000 ! spec=15N_..._new, no=139, id=1455, vol=2.393701e+06
assign (segid "   A" and resid   57 and name HG23) (segid "   A" and resid   57 and name   HN) 2.510 0.787 0.787 weight 1.000 ! spec=15N_..._new, no=140, id=1456, vol=2.810151e+06
    or (segid "   A" and resid   57 and name HG21) (segid "   A" and resid   57 and name   HN)
    or (segid "   A" and resid   57 and name HG22) (segid "   A" and resid   57 and name   HN)
assign (segid "   A" and resid   55 and name   HN) (segid "   A" and resid   55 and name HD11) 2.864 1.025 1.025 weight 1.000 ! spec=15N_..._new, no=141, id=1457, vol=1.084450e+06
    or (segid "   A" and resid   55 and name   HN) (segid "   A" and resid   55 and name HD12)
    or (segid "   A" and resid   55 and name   HN) (segid "   A" and resid   55 and name HD13)
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   80 and name   HN) 2.644 0.874 0.874 weight 1.000 ! spec=15N_..._new, no=142, id=1458, vol=1.322762e+06
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name  HB2) 2.940 1.081 1.081 weight 1.000 ! spec=15N_..._new, no=146, id=1461, vol=6.576812e+05
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name  HB1) 3.253 1.323 1.323 weight 1.000 ! spec=15N_..._new, no=147, id=1462, vol=3.921970e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   21 and name   HN) 3.351 1.404 1.404 weight 1.000 ! spec=15N_..._new, no=151, id=1466, vol=3.451348e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name   HA) 3.196 1.277 1.277 weight 1.000 ! spec=15N_..._new, no=153, id=1468, vol=4.165043e+05
assign (segid "   A" and resid   19 and name  HB2) (segid "   A" and resid   20 and name   HN) 2.130 0.567 0.567 weight 1.000 ! spec=15N_..._new, no=157, id=1471, vol=6.025095e+06
assign (segid "   A" and resid   19 and name  HG2) (segid "   A" and resid   20 and name   HN) 2.281 0.650 0.650 weight 1.000 ! spec=15N_..._new, no=158, id=1472, vol=3.984660e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name HD13) 3.234 1.307 1.307 weight 1.000 ! spec=15N_..._new, no=159, id=1473, vol=4.153586e+05
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name HD11)
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name HD12)
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid  103 and name   HA) 3.696 1.708 1.708 weight 1.000 ! spec=15N_..._new, no=161, id=1475, vol=2.256425e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   84 and name HG11) 3.467 1.503 1.503 weight 1.000 ! spec=15N_..._new, no=162, id=1476, vol=2.954721e+05
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   84 and name HG12)
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   84 and name HG13)
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name HD13) 2.497 0.779 0.779 weight 1.000 ! spec=15N_..._new, no=163, id=1477, vol=2.172126e+06
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name HD11)
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name HD12)
assign (segid "   A" and resid   79 and name  HB1) (segid "   A" and resid   21 and name   HN) 3.235 1.308 1.308 weight 1.000 ! spec=15N_..._new, no=165, id=1479, vol=3.667379e+05
assign (segid "   A" and resid   21 and name   HB) (segid "   A" and resid   21 and name   HN) 2.574 0.828 0.828 weight 1.000 ! spec=15N_..._new, no=166, id=1480, vol=1.839772e+06
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   78 and name  HB2) 3.086 1.190 1.190 weight 1.000 ! spec=15N_..._new, no=167, id=1481, vol=5.592395e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   22 and name   HN) 3.508 1.538 1.538 weight 1.000 ! spec=15N_..._new, no=170, id=1483, vol=1.995372e+05
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   54 and name   HA) 2.564 0.822 0.822 weight 1.000 ! spec=15N_..._new, no=174, id=1487, vol=1.751121e+06
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   77 and name   HA) 3.121 1.218 1.218 weight 1.000 ! spec=15N_..._new, no=184, id=1496, vol=5.105923e+05
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   23 and name   HB) 2.590 0.839 0.839 weight 1.000 ! spec=15N_..._new, no=187, id=1499, vol=1.672670e+06
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   76 and name  HB2) 3.457 1.494 1.494 weight 1.000 ! spec=15N_..._new, no=188, id=1500, vol=2.723249e+05
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name   HB) 3.181 1.265 1.265 weight 1.000 ! spec=15N_..._new, no=190, id=1502, vol=4.855853e+05
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name HG23) 2.555 0.816 0.816 weight 1.000 ! spec=15N_..._new, no=192, id=1504, vol=1.735656e+06
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name HG21)
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name HG22)
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name HG11) 3.361 1.412 1.412 weight 1.000 ! spec=15N_..._new, no=193, id=1505, vol=3.575494e+05
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name HG13)
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name HG12)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name  HD1) 2.670 0.891 0.891 weight 1.000 ! spec=15N_..._new, no=196, id=1507, vol=1.467428e+06
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name  HD2)
assign (segid "   A" and resid   25 and name  HB2) (segid "   A" and resid   25 and name   HN) 2.750 0.945 0.945 weight 1.000 ! spec=15N_..._new, no=199, id=1510, vol=1.164817e+06
assign (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   75 and name HD11) 2.743 0.940 0.940 weight 1.000 ! spec=15N_..._new, no=202, id=1513, vol=1.323543e+06
    or (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   75 and name HD13)
    or (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   75 and name HD12)
assign (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   76 and name   HG) 2.583 0.834 0.834 weight 1.000 ! spec=15N_..._new, no=203, id=1514, vol=1.966671e+06
assign (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   76 and name  HB2) 2.676 0.895 0.895 weight 1.000 ! spec=15N_..._new, no=204, id=1515, vol=1.343041e+06
assign (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   23 and name   HB) 3.221 1.297 1.297 weight 1.000 ! spec=15N_..._new, no=205, id=1516, vol=4.170305e+05
assign (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   77 and name HD21) 3.139 1.231 1.231 weight 1.000 ! spec=15N_..._new, no=206, id=1517, vol=6.141667e+05
    or (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   77 and name HD23)
    or (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   77 and name HD22)
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name  HD2) 2.853 1.017 1.017 weight 1.000 ! spec=15N_..._new, no=207, id=1518, vol=9.557312e+05
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name  HD1)
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   25 and name  HB1) 2.952 1.089 1.089 weight 1.000 ! spec=15N_..._new, no=209, id=1520, vol=7.140804e+05
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   57 and name HG23) 2.957 1.093 1.093 weight 1.000 ! spec=15N_..._new, no=210, id=1521, vol=7.084841e+05
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   57 and name HG21)
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   57 and name HG22)
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   56 and name   HA) 3.360 1.411 1.411 weight 1.000 ! spec=15N_..._new, no=212, id=1523, vol=3.709885e+05
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name  HD2) 2.908 1.057 1.057 weight 1.000 ! spec=15N_..._new, no=213, id=1524, vol=9.200245e+05
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name  HD1)
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   28 and name   HA) 3.348 1.401 1.401 weight 1.000 ! spec=15N_..._new, no=216, id=1527, vol=2.966248e+05
assign (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   27 and name   HN) 2.499 0.781 0.781 weight 1.000 ! spec=15N_..._new, no=217, id=1528, vol=2.253150e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name HG23) 3.152 1.242 1.242 weight 1.000 ! spec=15N_..._new, no=221, id=1532, vol=6.514334e+05
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name HG22)
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name HG21)
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   28 and name HG23) 3.526 1.554 1.554 weight 1.000 ! spec=15N_..._new, no=224, id=1535, vol=2.183013e+05
    or (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   28 and name HG22)
    or (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   28 and name HG21)
assign (segid "   A" and resid   29 and name  HB1) (segid "   A" and resid   29 and name   HN) 3.222 1.297 1.297 weight 1.000 ! spec=15N_..._new, no=225, id=1536, vol=4.880274e+05
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   28 and name   HB) 3.580 1.602 1.602 weight 1.000 ! spec=15N_..._new, no=228, id=1539, vol=2.093210e+05
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name  HD1) 2.979 1.109 1.109 weight 1.000 ! spec=15N_..._new, no=230, id=1541, vol=7.319217e+05
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   33 and name   HA) 2.938 1.079 1.079 weight 1.000 ! spec=15N_..._new, no=234, id=1544, vol=8.072303e+05
assign (segid "   A" and resid   32 and name  HD1) (segid "   A" and resid   33 and name   HN) 2.606 0.849 0.849 weight 1.000 ! spec=15N_..._new, no=236, id=1546, vol=1.806120e+06
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   33 and name  HB2) 3.061 1.171 1.171 weight 1.000 ! spec=15N_..._new, no=237, id=1547, vol=6.113220e+05
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   32 and name  HG2) 3.039 1.155 1.155 weight 1.000 ! spec=15N_..._new, no=238, id=1548, vol=8.166236e+05
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   35 and name  HB2) 2.657 0.883 0.883 weight 1.000 ! spec=15N_..._new, no=240, id=1550, vol=1.343654e+06
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   36 and name HD12) 2.642 0.872 0.872 weight 1.000 ! spec=15N_..._new, no=243, id=1553, vol=1.498378e+06
    or (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   36 and name HD11)
    or (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   36 and name HD13)
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   36 and name HD12) 2.846 1.012 1.012 weight 1.000 ! spec=15N_..._new, no=244, id=1554, vol=9.058885e+05
    or (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   36 and name HD11)
    or (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   36 and name HD13)
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   36 and name   HA) 3.095 1.197 1.197 weight 1.000 ! spec=15N_..._new, no=250, id=1560, vol=4.778113e+05
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   36 and name HG11) 3.341 1.395 1.395 weight 1.000 ! spec=15N_..._new, no=252, id=1561, vol=3.287234e+05
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   39 and name  HB2) 2.544 0.809 0.809 weight 1.000 ! spec=15N_..._new, no=253, id=1562, vol=1.968611e+06
assign (segid "   A" and resid   39 and name  HG1) (segid "   A" and resid   39 and name   HN) 2.734 0.934 0.934 weight 1.000 ! spec=15N_..._new, no=255, id=1564, vol=1.320178e+06
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   38 and name  HD2) 3.043 1.158 1.158 weight 1.000 ! spec=15N_..._new, no=256, id=1565, vol=6.873399e+05
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   39 and name   HN) 2.407 0.724 0.724 weight 1.000 ! spec=15N_..._new, no=259, id=1568, vol=2.751551e+06
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   41 and name  HB1) 2.066 0.534 0.534 weight 1.000 ! spec=15N_..._new, no=263, id=1572, vol=7.356250e+06
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   41 and name   HN) 2.482 0.770 0.770 weight 1.000 ! spec=15N_..._new, no=272, id=1581, vol=2.113709e+06
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid    2 and name HG13) 3.469 1.505 1.505 weight 1.000 ! spec=15N_..._new, no=273, id=1582, vol=2.601563e+05
    or (segid "   A" and resid   41 and name   HN) (segid "   A" and resid    2 and name HG12)
    or (segid "   A" and resid   41 and name   HN) (segid "   A" and resid    2 and name HG11)
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   37 and name  HB3) 3.607 1.626 1.626 weight 1.000 ! spec=15N_..._new, no=275, id=1584, vol=1.502783e+05
    or (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   37 and name  HB1)
    or (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   37 and name  HB2)
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   43 and name   HN) 2.609 0.851 0.851 weight 1.000 ! spec=15N_..._new, no=284, id=1593, vol=1.585864e+06
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   43 and name  HD2) 3.155 1.244 1.244 weight 1.000 ! spec=15N_..._new, no=285, id=1594, vol=4.698440e+05
    or (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   43 and name  HD1)
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   39 and name   HA) 3.106 1.206 1.206 weight 1.000 ! spec=15N_..._new, no=287, id=1596, vol=4.433664e+05
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   43 and name  HB2) 2.674 0.893 0.893 weight 1.000 ! spec=15N_..._new, no=289, id=1598, vol=1.381196e+06
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   41 and name  HB1) 3.453 1.491 1.491 weight 1.000 ! spec=15N_..._new, no=290, id=1599, vol=2.283680e+05
assign (segid "   A" and resid   42 and name  HB2) (segid "   A" and resid   43 and name   HN) 2.584 0.835 0.835 weight 1.000 ! spec=15N_..._new, no=291, id=1600, vol=1.672189e+06
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid    2 and name HG13) 3.323 1.380 1.380 weight 1.000 ! spec=15N_..._new, no=293, id=1602, vol=3.744803e+05
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid    2 and name HG12)
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid    2 and name HG11)
assign (segid "   A" and resid   43 and name  HB1) (segid "   A" and resid   44 and name   HN) 2.599 0.845 0.845 weight 1.000 ! spec=15N_..._new, no=296, id=1605, vol=1.694491e+06
assign (segid "   A" and resid   44 and name   HA) (segid "   A" and resid   44 and name   HN) 2.535 0.803 0.803 weight 1.000 ! spec=15N_..._new, no=297, id=1606, vol=1.904386e+06
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   44 and name  HB1) 2.536 0.804 0.804 weight 1.000 ! spec=15N_..._new, no=298, id=1607, vol=1.888783e+06
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   43 and name   HA) 2.713 0.920 0.920 weight 1.000 ! spec=15N_..._new, no=300, id=1609, vol=1.220967e+06
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   45 and name   HN) 2.661 0.885 0.885 weight 1.000 ! spec=15N_..._new, no=303, id=1612, vol=1.403968e+06
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   44 and name   HN) 2.650 0.878 0.878 weight 1.000 ! spec=15N_..._new, no=304, id=1613, vol=1.466393e+06
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   46 and name  HG1) 2.599 0.844 0.844 weight 1.000 ! spec=15N_..._new, no=305, id=1614, vol=1.852376e+06
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   44 and name   HA) 3.200 1.280 1.280 weight 1.000 ! spec=15N_..._new, no=308, id=1617, vol=4.195717e+05
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   43 and name   HA) 2.870 1.030 1.030 weight 1.000 ! spec=15N_..._new, no=310, id=1619, vol=9.418304e+05
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   46 and name   HN) 2.317 0.671 0.671 weight 1.000 ! spec=15N_..._new, no=313, id=1622, vol=3.559856e+06
assign (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   44 and name   HN) 3.341 1.395 1.395 weight 1.000 ! spec=15N_..._new, no=315, id=1624, vol=1.750464e+05
assign (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   47 and name  HD2) 2.599 0.844 0.844 weight 1.000 ! spec=15N_..._new, no=316, id=1625, vol=1.441921e+06
    or (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   47 and name  HD1)
assign (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   45 and name   HN) 3.079 1.185 1.185 weight 1.000 ! spec=15N_..._new, no=317, id=1626, vol=5.111116e+05
assign (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   43 and name   HA) 3.368 1.418 1.418 weight 1.000 ! spec=15N_..._new, no=319, id=1628, vol=2.825580e+05
assign (segid "   A" and resid   46 and name  HG1) (segid "   A" and resid   47 and name   HN) 3.563 1.586 1.586 weight 1.000 ! spec=15N_..._new, no=324, id=1633, vol=1.599781e+05
assign (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   50 and name  HB1) 3.245 1.316 1.316 weight 1.000 ! spec=15N_..._new, no=327, id=1636, vol=3.460845e+05
    or (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   50 and name  HB2)
    or (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   50 and name  HB3)
assign (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   49 and name  HB1) 2.398 0.719 0.719 weight 1.000 ! spec=15N_..._new, no=328, id=1637, vol=2.913657e+06
assign (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   49 and name  HG1) 3.103 1.204 1.204 weight 1.000 ! spec=15N_..._new, no=330, id=1639, vol=5.362978e+05
assign (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   50 and name   HN) 2.439 0.744 0.744 weight 1.000 ! spec=15N_..._new, no=336, id=1644, vol=2.594128e+06
assign (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   51 and name   HN) 3.083 1.188 1.188 weight 1.000 ! spec=15N_..._new, no=343, id=1650, vol=4.068889e+05
assign (segid "   A" and resid   51 and name   HN) (segid "   A" and resid   22 and name   HN) 3.046 1.160 1.160 weight 1.000 ! spec=15N_..._new, no=345, id=1652, vol=5.686899e+05
assign (segid "   A" and resid   51 and name   HN) (segid "   A" and resid   51 and name  HB1) 2.528 0.799 0.799 weight 1.000 ! spec=15N_..._new, no=349, id=1656, vol=1.938570e+06
assign (segid "   A" and resid   50 and name  HB1) (segid "   A" and resid   51 and name   HN) 2.402 0.721 0.721 weight 1.000 ! spec=15N_..._new, no=351, id=1658, vol=2.722594e+06
    or (segid "   A" and resid   50 and name  HB2) (segid "   A" and resid   51 and name   HN)
    or (segid "   A" and resid   50 and name  HB3) (segid "   A" and resid   51 and name   HN)
assign (segid "   A" and resid   51 and name   HN) (segid "   A" and resid   20 and name  HB2) 3.704 1.715 1.715 weight 1.000 ! spec=15N_..._new, no=353, id=1660, vol=2.351336e+05
assign (segid "   A" and resid   52 and name   HN) (segid "   A" and resid   53 and name   HN) 3.493 1.525 1.525 weight 1.000 ! spec=15N_..._new, no=354, id=1661, vol=2.692033e+05
assign (segid "   A" and resid   52 and name   HN) (segid "   A" and resid   47 and name  HD2) 2.662 0.886 0.886 weight 1.000 ! spec=15N_..._new, no=356, id=1663, vol=1.573270e+06
    or (segid "   A" and resid   52 and name   HN) (segid "   A" and resid   47 and name  HD1)
assign (segid "   A" and resid   52 and name  HB2) (segid "   A" and resid   52 and name   HN) 2.655 0.881 0.881 weight 1.000 ! spec=15N_..._new, no=358, id=1665, vol=1.497245e+06
assign (segid "   A" and resid   52 and name   HN) (segid "   A" and resid   52 and name  HB1) 2.833 1.003 1.003 weight 1.000 ! spec=15N_..._new, no=359, id=1666, vol=1.068246e+06
assign (segid "   A" and resid   53 and name   HN) (segid "   A" and resid   21 and name HG12) 3.137 1.230 1.230 weight 1.000 ! spec=15N_..._new, no=362, id=1669, vol=4.722336e+05
    or (segid "   A" and resid   53 and name   HN) (segid "   A" and resid   21 and name HG11)
    or (segid "   A" and resid   53 and name   HN) (segid "   A" and resid   21 and name HG13)
assign (segid "   A" and resid   53 and name   HN) (segid "   A" and resid    2 and name HG23) 3.015 1.136 1.136 weight 1.000 ! spec=15N_..._new, no=363, id=1670, vol=6.488113e+05
    or (segid "   A" and resid   53 and name   HN) (segid "   A" and resid    2 and name HG21)
    or (segid "   A" and resid   53 and name   HN) (segid "   A" and resid    2 and name HG22)
assign (segid "   A" and resid   53 and name   HN) (segid "   A" and resid   52 and name  HB1) 3.077 1.183 1.183 weight 1.000 ! spec=15N_..._new, no=364, id=1671, vol=5.818668e+05
assign (segid "   A" and resid   53 and name   HN) (segid "   A" and resid   53 and name  HB1) 2.667 0.889 0.889 weight 1.000 ! spec=15N_..._new, no=365, id=1672, vol=1.467423e+06
assign (segid "   A" and resid   53 and name   HN) (segid "   A" and resid   53 and name  HD1) 2.891 1.044 1.044 weight 1.000 ! spec=15N_..._new, no=369, id=1676, vol=8.528232e+05
    or (segid "   A" and resid   53 and name   HN) (segid "   A" and resid   53 and name  HD2)
assign (segid "   A" and resid   54 and name   HN) (segid "   A" and resid   55 and name   HN) 3.384 1.431 1.431 weight 1.000 ! spec=15N_..._new, no=372, id=1679, vol=3.200547e+05
assign (segid "   A" and resid   54 and name   HN) (segid "   A" and resid   53 and name   HN) 3.586 1.607 1.607 weight 1.000 ! spec=15N_..._new, no=373, id=1680, vol=1.931588e+05
assign (segid "   A" and resid   54 and name   HN) (segid "   A" and resid   53 and name  HD1) 3.236 1.309 1.309 weight 1.000 ! spec=15N_..._new, no=375, id=1682, vol=5.336860e+05
    or (segid "   A" and resid   54 and name   HN) (segid "   A" and resid   53 and name  HD2)
assign (segid "   A" and resid   54 and name   HN) (segid "   A" and resid    4 and name   HA) 2.759 0.952 0.952 weight 1.000 ! spec=15N_..._new, no=377, id=1684, vol=1.284898e+06
assign (segid "   A" and resid   54 and name   HN) (segid "   A" and resid   53 and name  HB2) 2.566 0.823 0.823 weight 1.000 ! spec=15N_..._new, no=378, id=1685, vol=1.900940e+06
assign (segid "   A" and resid   54 and name   HN) (segid "   A" and resid    2 and name   HB) 3.321 1.379 1.379 weight 1.000 ! spec=15N_..._new, no=379, id=1686, vol=4.124240e+05
assign (segid "   A" and resid   54 and name   HN) (segid "   A" and resid    3 and name HG21) 2.793 0.975 0.975 weight 1.000 ! spec=15N_..._new, no=381, id=1688, vol=1.057423e+06
    or (segid "   A" and resid   54 and name   HN) (segid "   A" and resid    3 and name HG23)
    or (segid "   A" and resid   54 and name   HN) (segid "   A" and resid    3 and name HG22)
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   55 and name   HN) 2.871 1.030 1.030 weight 1.000 ! spec=15N_..._new, no=384, id=1691, vol=1.021182e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid   55 and name   HN) 3.466 1.502 1.502 weight 1.000 ! spec=15N_..._new, no=385, id=1692, vol=2.950609e+05
assign (segid "   A" and resid   55 and name   HN) (segid "   A" and resid   55 and name   HA) 3.083 1.188 1.188 weight 1.000 ! spec=15N_..._new, no=387, id=1694, vol=6.318665e+05
assign (segid "   A" and resid   57 and name HG11) (segid "   A" and resid   57 and name   HN) 2.339 0.684 0.684 weight 1.000 ! spec=15N_..._new, no=390, id=1697, vol=3.314162e+06
    or (segid "   A" and resid   57 and name HG12) (segid "   A" and resid   57 and name   HN)
    or (segid "   A" and resid   57 and name HG13) (segid "   A" and resid   57 and name   HN)
assign (segid "   A" and resid   56 and name   HN) (segid "   A" and resid   55 and name HD11) 2.975 1.106 1.106 weight 1.000 ! spec=15N_..._new, no=391, id=1698, vol=8.359369e+05
    or (segid "   A" and resid   56 and name   HN) (segid "   A" and resid   55 and name HD12)
    or (segid "   A" and resid   56 and name   HN) (segid "   A" and resid   55 and name HD13)
assign (segid "   A" and resid   56 and name   HN) (segid "   A" and resid   56 and name  HB1) 2.624 0.860 0.860 weight 1.000 ! spec=15N_..._new, no=392, id=1699, vol=1.680920e+06
assign (segid "   A" and resid   56 and name   HN) (segid "   A" and resid   56 and name  HB2) 2.644 0.874 0.874 weight 1.000 ! spec=15N_..._new, no=393, id=1700, vol=1.649108e+06
assign (segid "   A" and resid   56 and name   HN) (segid "   A" and resid   56 and name   HA) 3.073 1.180 1.180 weight 1.000 ! spec=15N_..._new, no=394, id=1701, vol=6.308168e+05
assign (segid "   A" and resid   56 and name   HN) (segid "   A" and resid   59 and name   HN) 3.491 1.523 1.523 weight 1.000 ! spec=15N_..._new, no=397, id=1704, vol=3.131462e+05
assign (segid "   A" and resid   57 and name   HN) (segid "   A" and resid   56 and name  HB2) 3.438 1.477 1.477 weight 1.000 ! spec=15N_..._new, no=399, id=1706, vol=2.922259e+05
assign (segid "   A" and resid   57 and name   HN) (segid "   A" and resid   56 and name   HA) 2.235 0.624 0.624 weight 1.000 ! spec=15N_..._new, no=400, id=1707, vol=3.926376e+06
assign (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   59 and name   HN) 2.233 0.623 0.623 weight 1.000 ! spec=15N_..._new, no=401, id=1708, vol=4.260506e+06
assign (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   56 and name  HB2) 2.276 0.647 0.647 weight 1.000 ! spec=15N_..._new, no=404, id=1711, vol=3.635824e+06
assign (segid "   A" and resid   57 and name   HA) (segid "   A" and resid   58 and name   HN) 3.214 1.291 1.291 weight 1.000 ! spec=15N_..._new, no=405, id=1712, vol=4.076055e+05
assign (segid "   A" and resid   72 and name   HN) (segid "   A" and resid   72 and name  HE1) 2.631 0.865 0.865 weight 1.000 ! spec=15N_..._new, no=407, id=1714, vol=1.721761e+06
    or (segid "   A" and resid   72 and name   HN) (segid "   A" and resid   72 and name  HE2)
    or (segid "   A" and resid   72 and name   HN) (segid "   A" and resid   72 and name  HE3)
assign (segid "   A" and resid   72 and name   HN) (segid "   A" and resid   72 and name  HB1) 2.885 1.040 1.040 weight 1.000 ! spec=15N_..._new, no=408, id=1715, vol=7.795649e+05
assign (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   57 and name HG11) 2.794 0.976 0.976 weight 1.000 ! spec=15N_..._new, no=410, id=1717, vol=1.112290e+06
    or (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   57 and name HG12)
    or (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   57 and name HG13)
assign (segid "   A" and resid   59 and name   HN) (segid "   A" and resid   56 and name  HB2) 2.689 0.904 0.904 weight 1.000 ! spec=15N_..._new, no=411, id=1718, vol=1.425817e+06
assign (segid "   A" and resid   59 and name  HB1) (segid "   A" and resid   59 and name   HN) 2.295 0.659 0.659 weight 1.000 ! spec=15N_..._new, no=412, id=1719, vol=3.618593e+06
assign (segid "   A" and resid   59 and name   HN) (segid "   A" and resid   57 and name   HA) 3.351 1.404 1.404 weight 1.000 ! spec=15N_..._new, no=415, id=1722, vol=2.820491e+05
assign (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   58 and name   HN) 3.237 1.310 1.310 weight 1.000 ! spec=15N_..._new, no=420, id=1727, vol=4.484871e+05
assign (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   59 and name   HA) 3.238 1.310 1.310 weight 1.000 ! spec=15N_..._new, no=422, id=1729, vol=4.879103e+05
assign (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   56 and name  HB2) 3.689 1.701 1.701 weight 1.000 ! spec=15N_..._new, no=425, id=1732, vol=1.715363e+05
assign (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   59 and name  HB1) 2.562 0.821 0.821 weight 1.000 ! spec=15N_..._new, no=426, id=1733, vol=1.894721e+06
assign (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   60 and name HD13) 2.888 1.042 1.042 weight 1.000 ! spec=15N_..._new, no=427, id=1734, vol=8.969743e+05
    or (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   60 and name HD11)
    or (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   60 and name HD12)
assign (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   61 and name   HN) 2.814 0.990 0.990 weight 1.000 ! spec=15N_..._new, no=430, id=1737, vol=1.155637e+06
assign (segid "   A" and resid   62 and name   HA) (segid "   A" and resid   61 and name   HN) 3.530 1.558 1.558 weight 1.000 ! spec=15N_..._new, no=433, id=1740, vol=1.974117e+05
assign (segid "   A" and resid   61 and name  HA2) (segid "   A" and resid   61 and name   HN) 2.277 0.648 0.648 weight 1.000 ! spec=15N_..._new, no=434, id=1741, vol=4.043429e+06
assign (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   60 and name  HB2) 3.185 1.268 1.268 weight 1.000 ! spec=15N_..._new, no=435, id=1742, vol=4.466079e+05
assign (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   63 and name HG12) 3.445 1.484 1.484 weight 1.000 ! spec=15N_..._new, no=436, id=1743, vol=2.593544e+05
    or (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   63 and name HG11)
    or (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   63 and name HG13)
assign (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   62 and name   HN) 3.004 1.128 1.128 weight 1.000 ! spec=15N_..._new, no=437, id=1744, vol=7.406236e+05
assign (segid "   A" and resid   62 and name   HN) (segid "   A" and resid   63 and name   HN) 2.731 0.932 0.932 weight 1.000 ! spec=15N_..._new, no=438, id=1745, vol=1.366922e+06
assign (segid "   A" and resid   62 and name   HN) (segid "   A" and resid   61 and name  HA2) 3.206 1.285 1.285 weight 1.000 ! spec=15N_..._new, no=441, id=1748, vol=4.076043e+05
assign (segid "   A" and resid   62 and name   HN) (segid "   A" and resid   62 and name  HB2) 2.835 1.005 1.005 weight 1.000 ! spec=15N_..._new, no=442, id=1749, vol=1.184287e+06
assign (segid "   A" and resid   62 and name   HN) (segid "   A" and resid   60 and name HD13) 3.612 1.631 1.631 weight 1.000 ! spec=15N_..._new, no=443, id=1750, vol=2.762868e+05
    or (segid "   A" and resid   62 and name   HN) (segid "   A" and resid   60 and name HD11)
    or (segid "   A" and resid   62 and name   HN) (segid "   A" and resid   60 and name HD12)
assign (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   63 and name   HN) 3.150 1.240 1.240 weight 1.000 ! spec=15N_..._new, no=445, id=1752, vol=4.933300e+05
assign (segid "   A" and resid   63 and name   HN) (segid "   A" and resid   64 and name   HA) 3.595 1.615 1.615 weight 1.000 ! spec=15N_..._new, no=447, id=1754, vol=1.322720e+05
assign (segid "   A" and resid   63 and name   HN) (segid "   A" and resid   62 and name  HB2) 3.133 1.227 1.227 weight 1.000 ! spec=15N_..._new, no=449, id=1756, vol=6.049960e+05
assign (segid "   A" and resid   63 and name   HB) (segid "   A" and resid   63 and name   HN) 2.306 0.665 0.665 weight 1.000 ! spec=15N_..._new, no=450, id=1757, vol=3.519853e+06
assign (segid "   A" and resid   63 and name   HN) (segid "   A" and resid   63 and name HG12) 2.220 0.616 0.616 weight 1.000 ! spec=15N_..._new, no=451, id=1758, vol=4.258727e+06
    or (segid "   A" and resid   63 and name   HN) (segid "   A" and resid   63 and name HG11)
    or (segid "   A" and resid   63 and name   HN) (segid "   A" and resid   63 and name HG13)
assign (segid "   A" and resid   63 and name   HN) (segid "   A" and resid   63 and name HG21) 2.990 1.118 1.118 weight 1.000 ! spec=15N_..._new, no=452, id=1759, vol=6.350614e+05
    or (segid "   A" and resid   63 and name   HN) (segid "   A" and resid   63 and name HG23)
    or (segid "   A" and resid   63 and name   HN) (segid "   A" and resid   63 and name HG22)
assign (segid "   A" and resid   64 and name   HN) (segid "   A" and resid   63 and name   HA) 3.192 1.273 1.273 weight 1.000 ! spec=15N_..._new, no=454, id=1761, vol=4.363356e+05
assign (segid "   A" and resid   65 and name   HN) (segid "   A" and resid   66 and name   HN) 2.341 0.685 0.685 weight 1.000 ! spec=15N_..._new, no=461, id=1768, vol=2.734245e+06
assign (segid "   A" and resid   64 and name   HN) (segid "   A" and resid   65 and name   HN) 2.348 0.689 0.689 weight 1.000 ! spec=15N_..._new, no=462, id=1769, vol=2.797621e+06
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   46 and name   HA) 2.411 0.727 0.727 weight 1.000 ! spec=15N_..._new, no=464, id=1771, vol=2.391164e+06
assign (segid "   A" and resid   65 and name   HN) (segid "   A" and resid   64 and name   HA) 2.950 1.088 1.088 weight 1.000 ! spec=15N_..._new, no=465, id=1772, vol=6.357253e+05
assign (segid "   A" and resid   65 and name   HN) (segid "   A" and resid   65 and name  HG2) 2.706 0.915 0.915 weight 1.000 ! spec=15N_..._new, no=466, id=1773, vol=1.219733e+06
assign (segid "   A" and resid   65 and name   HN) (segid "   A" and resid   66 and name  HB2) 3.180 1.264 1.264 weight 1.000 ! spec=15N_..._new, no=468, id=1775, vol=4.311979e+05
assign (segid "   A" and resid   66 and name   HN) (segid "   A" and resid   68 and name   HN) 2.854 1.018 1.018 weight 1.000 ! spec=15N_..._new, no=471, id=1778, vol=9.432855e+05
assign (segid "   A" and resid   86 and name   HN) (segid "   A" and resid   85 and name   HN) 3.261 1.329 1.329 weight 1.000 ! spec=15N_..._new, no=472, id=1779, vol=5.374831e+05
assign (segid "   A" and resid   66 and name   HN) (segid "   A" and resid   67 and name   HN) 2.408 0.725 0.725 weight 1.000 ! spec=15N_..._new, no=473, id=1780, vol=2.379236e+06
assign (segid "   A" and resid   66 and name   HN) (segid "   A" and resid   64 and name   HA) 3.267 1.334 1.334 weight 1.000 ! spec=15N_..._new, no=476, id=1783, vol=1.693848e+05
assign (segid "   A" and resid   65 and name  HB2) (segid "   A" and resid   66 and name   HN) 2.307 0.665 0.665 weight 1.000 ! spec=15N_..._new, no=479, id=1786, vol=3.486731e+06
assign (segid "   A" and resid   66 and name  HB2) (segid "   A" and resid   66 and name   HN) 2.139 0.572 0.572 weight 1.000 ! spec=15N_..._new, no=480, id=1787, vol=5.348551e+06
assign (segid "   A" and resid   66 and name   HN) (segid "   A" and resid   66 and name  HG1) 2.512 0.789 0.789 weight 1.000 ! spec=15N_..._new, no=481, id=1788, vol=2.828333e+06
assign (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   65 and name   HN) 3.340 1.394 1.394 weight 1.000 ! spec=15N_..._new, no=482, id=1789, vol=3.419007e+05
assign (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   25 and name  HE1) 3.330 1.386 1.386 weight 1.000 ! spec=15N_..._new, no=485, id=1792, vol=2.941003e+05
    or (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   25 and name  HE2)
assign (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   67 and name   HA) 2.658 0.883 0.883 weight 1.000 ! spec=15N_..._new, no=486, id=1793, vol=1.324730e+06
assign (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   64 and name   HA) 2.912 1.060 1.060 weight 1.000 ! spec=15N_..._new, no=488, id=1795, vol=7.480221e+05
assign (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   63 and name   HA) 3.616 1.635 1.635 weight 1.000 ! spec=15N_..._new, no=489, id=1796, vol=1.667822e+05
assign (segid "   A" and resid   67 and name  HB1) (segid "   A" and resid   67 and name   HN) 2.690 0.904 0.904 weight 1.000 ! spec=15N_..._new, no=490, id=1797, vol=1.199099e+06
assign (segid "   A" and resid   67 and name  HB2) (segid "   A" and resid   67 and name   HN) 2.316 0.671 0.671 weight 1.000 ! spec=15N_..._new, no=491, id=1798, vol=3.120454e+06
assign (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   66 and name  HB2) 2.663 0.886 0.886 weight 1.000 ! spec=15N_..._new, no=492, id=1799, vol=1.305839e+06
assign (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   66 and name  HG1) 3.040 1.155 1.155 weight 1.000 ! spec=15N_..._new, no=493, id=1800, vol=5.876307e+05
assign (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   68 and name   HN) 2.299 0.661 0.661 weight 1.000 ! spec=15N_..._new, no=496, id=1803, vol=3.282755e+06
assign (segid "   A" and resid   68 and name   HN) (segid "   A" and resid   67 and name   HA) 2.694 0.907 0.907 weight 1.000 ! spec=15N_..._new, no=498, id=1805, vol=1.248683e+06
assign (segid "   A" and resid   68 and name   HN) (segid "   A" and resid   65 and name   HA) 2.685 0.901 0.901 weight 1.000 ! spec=15N_..._new, no=499, id=1806, vol=1.216413e+06
assign (segid "   A" and resid   68 and name   HN) (segid "   A" and resid   67 and name  HB1) 3.320 1.378 1.378 weight 1.000 ! spec=15N_..._new, no=501, id=1808, vol=3.219922e+05
assign (segid "   A" and resid   69 and name   HN) (segid "   A" and resid   69 and name HG13) 3.000 1.125 1.125 weight 1.000 ! spec=15N_..._new, no=504, id=1811, vol=6.807294e+05
    or (segid "   A" and resid   69 and name   HN) (segid "   A" and resid   69 and name HG11)
    or (segid "   A" and resid   69 and name   HN) (segid "   A" and resid   69 and name HG12)
assign (segid "   A" and resid   69 and name   HN) (segid "   A" and resid   74 and name HG21) 3.632 1.649 1.649 weight 1.000 ! spec=15N_..._new, no=505, id=1812, vol=2.103337e+05
    or (segid "   A" and resid   69 and name   HN) (segid "   A" and resid   74 and name HG22)
    or (segid "   A" and resid   69 and name   HN) (segid "   A" and resid   74 and name HG23)
assign (segid "   A" and resid   69 and name   HB) (segid "   A" and resid   69 and name   HN) 2.272 0.645 0.645 weight 1.000 ! spec=15N_..._new, no=506, id=1813, vol=3.785588e+06
assign (segid "   A" and resid   69 and name   HN) (segid "   A" and resid   67 and name  HB2) 2.888 1.043 1.043 weight 1.000 ! spec=15N_..._new, no=507, id=1814, vol=8.645708e+05
assign (segid "   A" and resid   69 and name   HN) (segid "   A" and resid   68 and name   HA) 2.385 0.711 0.711 weight 1.000 ! spec=15N_..._new, no=508, id=1815, vol=2.738705e+06
assign (segid "   A" and resid   69 and name   HN) (segid "   A" and resid   67 and name   HN) 3.256 1.325 1.325 weight 1.000 ! spec=15N_..._new, no=510, id=1817, vol=4.375526e+05
assign (segid "   A" and resid   70 and name   HN) (segid "   A" and resid   69 and name HG13) 3.497 1.529 1.529 weight 1.000 ! spec=15N_..._new, no=513, id=1819, vol=2.987028e+05
    or (segid "   A" and resid   70 and name   HN) (segid "   A" and resid   69 and name HG11)
    or (segid "   A" and resid   70 and name   HN) (segid "   A" and resid   69 and name HG12)
assign (segid "   A" and resid   71 and name  HB2) (segid "   A" and resid   71 and name   HN) 2.631 0.865 0.865 weight 1.000 ! spec=15N_..._new, no=514, id=1820, vol=1.492427e+06
    or (segid "   A" and resid   71 and name  HB1) (segid "   A" and resid   71 and name   HN)
    or (segid "   A" and resid   71 and name  HB3) (segid "   A" and resid   71 and name   HN)
assign (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   27 and name  HB1) 3.516 1.545 1.545 weight 1.000 ! spec=15N_..._new, no=516, id=1822, vol=2.214801e+05
    or (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   27 and name  HB3)
    or (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   27 and name  HB2)
assign (segid "   A" and resid   74 and name   HN) (segid "   A" and resid   25 and name  HB2) 3.049 1.162 1.162 weight 1.000 ! spec=15N_..._new, no=517, id=1823, vol=6.734196e+05
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   74 and name   HN) 3.168 1.255 1.255 weight 1.000 ! spec=15N_..._new, no=520, id=1826, vol=5.523355e+05
assign (segid "   A" and resid   75 and name   HN) (segid "   A" and resid   87 and name   HN) 2.952 1.089 1.089 weight 1.000 ! spec=15N_..._new, no=521, id=1827, vol=8.122982e+05
assign (segid "   A" and resid   75 and name   HN) (segid "   A" and resid   88 and name   HA) 3.360 1.411 1.411 weight 1.000 ! spec=15N_..._new, no=523, id=1829, vol=3.859354e+05
assign (segid "   A" and resid   75 and name   HN) (segid "   A" and resid   75 and name   HA) 3.204 1.283 1.283 weight 1.000 ! spec=15N_..._new, no=525, id=1831, vol=5.313471e+05
assign (segid "   A" and resid   75 and name   HN) (segid "   A" and resid   87 and name   HB) 3.210 1.288 1.288 weight 1.000 ! spec=15N_..._new, no=526, id=1832, vol=4.766149e+05
assign (segid "   A" and resid   75 and name  HB2) (segid "   A" and resid   75 and name   HN) 2.552 0.814 0.814 weight 1.000 ! spec=15N_..._new, no=527, id=1833, vol=2.115840e+06
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   76 and name   HN) 2.718 0.923 0.923 weight 1.000 ! spec=15N_..._new, no=529, id=1835, vol=1.402539e+06
assign (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   76 and name  HB2) 3.210 1.288 1.288 weight 1.000 ! spec=15N_..._new, no=530, id=1836, vol=3.485087e+05
assign (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   77 and name   HG) 2.722 0.926 0.926 weight 1.000 ! spec=15N_..._new, no=531, id=1837, vol=1.387081e+06
assign (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   85 and name   HA) 3.607 1.626 1.626 weight 1.000 ! spec=15N_..._new, no=537, id=1843, vol=2.439558e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   78 and name   HN) 2.775 0.962 0.962 weight 1.000 ! spec=15N_..._new, no=540, id=1846, vol=1.043089e+06
assign (segid "   A" and resid   78 and name   HN) (segid "   A" and resid   78 and name  HD2) 2.752 0.947 0.947 weight 1.000 ! spec=15N_..._new, no=542, id=1848, vol=1.222037e+06
    or (segid "   A" and resid   78 and name   HN) (segid "   A" and resid   78 and name  HD1)
assign (segid "   A" and resid   78 and name   HN) (segid "   A" and resid   22 and name   HA) 3.204 1.283 1.283 weight 1.000 ! spec=15N_..._new, no=545, id=1850, vol=4.139781e+05
assign (segid "   A" and resid   78 and name   HN) (segid "   A" and resid   78 and name  HB2) 2.512 0.789 0.789 weight 1.000 ! spec=15N_..._new, no=546, id=1851, vol=1.971054e+06
assign (segid "   A" and resid   78 and name   HN) (segid "   A" and resid   21 and name   HB) 2.990 1.117 1.117 weight 1.000 ! spec=15N_..._new, no=547, id=1852, vol=5.640287e+05
assign (segid "   A" and resid   78 and name   HN) (segid "   A" and resid   77 and name  HB2) 2.791 0.974 0.974 weight 1.000 ! spec=15N_..._new, no=549, id=1854, vol=1.039509e+06
assign (segid "   A" and resid   78 and name   HN) (segid "   A" and resid   20 and name HD13) 2.804 0.983 0.983 weight 1.000 ! spec=15N_..._new, no=550, id=1855, vol=1.006624e+06
    or (segid "   A" and resid   78 and name   HN) (segid "   A" and resid   20 and name HD11)
    or (segid "   A" and resid   78 and name   HN) (segid "   A" and resid   20 and name HD12)
assign (segid "   A" and resid   78 and name   HN) (segid "   A" and resid   84 and name HG11) 3.068 1.176 1.176 weight 1.000 ! spec=15N_..._new, no=551, id=1856, vol=5.672122e+05
    or (segid "   A" and resid   78 and name   HN) (segid "   A" and resid   84 and name HG12)
    or (segid "   A" and resid   78 and name   HN) (segid "   A" and resid   84 and name HG13)
assign (segid "   A" and resid   78 and name   HN) (segid "   A" and resid   79 and name   HN) 3.547 1.572 1.572 weight 1.000 ! spec=15N_..._new, no=552, id=1857, vol=2.783235e+05
assign (segid "   A" and resid   79 and name   HN) (segid "   A" and resid   84 and name   HN) 3.076 1.183 1.183 weight 1.000 ! spec=15N_..._new, no=554, id=1859, vol=5.626474e+05
assign (segid "   A" and resid   79 and name   HN) (segid "   A" and resid   78 and name  HD2) 3.289 1.352 1.352 weight 1.000 ! spec=15N_..._new, no=556, id=1861, vol=3.987777e+05
    or (segid "   A" and resid   79 and name   HN) (segid "   A" and resid   78 and name  HD1)
assign (segid "   A" and resid   79 and name   HN) (segid "   A" and resid   83 and name   HA) 3.323 1.381 1.381 weight 1.000 ! spec=15N_..._new, no=557, id=1862, vol=4.586597e+05
assign (segid "   A" and resid   79 and name   HN) (segid "   A" and resid   79 and name   HA) 2.719 0.924 0.924 weight 1.000 ! spec=15N_..._new, no=558, id=1863, vol=1.249326e+06
assign (segid "   A" and resid   78 and name  HB1) (segid "   A" and resid   79 and name   HN) 2.627 0.863 0.863 weight 1.000 ! spec=15N_..._new, no=559, id=1864, vol=1.705645e+06
assign (segid "   A" and resid   79 and name  HB2) (segid "   A" and resid   79 and name   HN) 2.589 0.838 0.838 weight 1.000 ! spec=15N_..._new, no=560, id=1865, vol=1.868170e+06
assign (segid "   A" and resid   79 and name   HN) (segid "   A" and resid   79 and name  HG1) 3.412 1.455 1.455 weight 1.000 ! spec=15N_..._new, no=561, id=1866, vol=2.736172e+05
assign (segid "   A" and resid   80 and name   HN) (segid "   A" and resid   16 and name   HA) 3.577 1.599 1.599 weight 1.000 ! spec=15N_..._new, no=568, id=1873, vol=2.273938e+05
assign (segid "   A" and resid   80 and name   HN) (segid "   A" and resid   80 and name  HB1) 3.221 1.297 1.297 weight 1.000 ! spec=15N_..._new, no=569, id=1874, vol=4.662269e+05
assign (segid "   A" and resid   80 and name   HN) (segid "   A" and resid   80 and name  HB2) 3.038 1.153 1.153 weight 1.000 ! spec=15N_..._new, no=570, id=1875, vol=6.614071e+05
assign (segid "   A" and resid   80 and name   HN) (segid "   A" and resid   79 and name  HB1) 3.034 1.151 1.151 weight 1.000 ! spec=15N_..._new, no=571, id=1876, vol=6.683604e+05
assign (segid "   A" and resid   80 and name   HN) (segid "   A" and resid   79 and name  HG1) 3.156 1.245 1.245 weight 1.000 ! spec=15N_..._new, no=572, id=1877, vol=5.921003e+05
assign (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   81 and name   HN) 3.450 1.488 1.488 weight 1.000 ! spec=15N_..._new, no=573, id=1878, vol=2.687550e+05
    or (segid "   A" and resid   16 and name  HB1) (segid "   A" and resid   81 and name   HN)
    or (segid "   A" and resid   16 and name  HB3) (segid "   A" and resid   81 and name   HN)
assign (segid "   A" and resid   81 and name   HN) (segid "   A" and resid   15 and name   HB) 3.601 1.621 1.621 weight 1.000 ! spec=15N_..._new, no=574, id=1879, vol=1.998772e+05
assign (segid "   A" and resid   81 and name  HA2) (segid "   A" and resid   81 and name   HN) 2.282 0.651 0.651 weight 1.000 ! spec=15N_..._new, no=576, id=1881, vol=3.540834e+06
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   81 and name   HN) 2.308 0.666 0.666 weight 1.000 ! spec=15N_..._new, no=578, id=1883, vol=3.328721e+06
assign (segid "   A" and resid   81 and name   HN) (segid "   A" and resid   17 and name   HN) 3.668 1.681 1.681 weight 1.000 ! spec=15N_..._new, no=580, id=1884, vol=1.540108e+05
assign (segid "   A" and resid   81 and name   HN) (segid "   A" and resid   82 and name   HN) 2.598 0.844 0.844 weight 1.000 ! spec=15N_..._new, no=581, id=1885, vol=1.556828e+06
assign (segid "   A" and resid   80 and name   HN) (segid "   A" and resid   81 and name   HN) 2.506 0.785 0.785 weight 1.000 ! spec=15N_..._new, no=582, id=1886, vol=1.889326e+06
assign (segid "   A" and resid   79 and name   HN) (segid "   A" and resid   82 and name   HN) 2.326 0.676 0.676 weight 1.000 ! spec=15N_..._new, no=583, id=1887, vol=3.412597e+06
assign (segid "   A" and resid   82 and name   HN) (segid "   A" and resid   78 and name  HD2) 3.328 1.384 1.384 weight 1.000 ! spec=15N_..._new, no=585, id=1889, vol=3.499413e+05
    or (segid "   A" and resid   82 and name   HN) (segid "   A" and resid   78 and name  HD1)
assign (segid "   A" and resid   82 and name   HN) (segid "   A" and resid   78 and name   HA) 3.524 1.552 1.552 weight 1.000 ! spec=15N_..._new, no=586, id=1890, vol=1.943583e+05
assign (segid "   A" and resid   82 and name   HN) (segid "   A" and resid   81 and name  HA1) 2.878 1.035 1.035 weight 1.000 ! spec=15N_..._new, no=588, id=1891, vol=7.167820e+05
assign (segid "   A" and resid   82 and name   HN) (segid "   A" and resid   81 and name  HA2) 2.947 1.086 1.086 weight 1.000 ! spec=15N_..._new, no=589, id=1892, vol=6.067447e+05
assign (segid "   A" and resid   82 and name   HN) (segid "   A" and resid   78 and name  HB1) 3.235 1.308 1.308 weight 1.000 ! spec=15N_..._new, no=590, id=1893, vol=4.435998e+05
assign (segid "   A" and resid   82 and name  HB1) (segid "   A" and resid   82 and name   HN) 2.237 0.626 0.626 weight 1.000 ! spec=15N_..._new, no=591, id=1894, vol=3.671874e+06
assign (segid "   A" and resid   82 and name   HN) (segid "   A" and resid   82 and name  HG2) 2.673 0.893 0.893 weight 1.000 ! spec=15N_..._new, no=592, id=1895, vol=1.259058e+06
assign (segid "   A" and resid   83 and name   HN) (segid "   A" and resid   78 and name   HA) 3.648 1.664 1.664 weight 1.000 ! spec=15N_..._new, no=597, id=1899, vol=1.887735e+05
assign (segid "   A" and resid   83 and name   HN) (segid "   A" and resid   78 and name  HD2) 3.200 1.280 1.280 weight 1.000 ! spec=15N_..._new, no=598, id=1900, vol=4.672882e+05
    or (segid "   A" and resid   83 and name   HN) (segid "   A" and resid   78 and name  HD1)
assign (segid "   A" and resid   83 and name   HN) (segid "   A" and resid   78 and name  HE2) 3.457 1.493 1.493 weight 1.000 ! spec=15N_..._new, no=599, id=1901, vol=2.954047e+05
    or (segid "   A" and resid   83 and name   HN) (segid "   A" and resid   78 and name  HE1)
assign (segid "   A" and resid   83 and name   HN) (segid "   A" and resid   82 and name   HN) 3.519 1.548 1.548 weight 1.000 ! spec=15N_..._new, no=600, id=1902, vol=2.775016e+05
assign (segid "   A" and resid   83 and name   HN) (segid "   A" and resid   84 and name   HN) 3.179 1.263 1.263 weight 1.000 ! spec=15N_..._new, no=601, id=1903, vol=4.162818e+05
assign (segid "   A" and resid   84 and name   HN) (segid "   A" and resid   83 and name   HA) 2.294 0.658 0.658 weight 1.000 ! spec=15N_..._new, no=605, id=1907, vol=3.999505e+06
assign (segid "   A" and resid   84 and name   HN) (segid "   A" and resid   84 and name   HA) 2.880 1.037 1.037 weight 1.000 ! spec=15N_..._new, no=606, id=1908, vol=1.050443e+06
assign (segid "   A" and resid   84 and name   HN) (segid "   A" and resid   84 and name   HB) 3.345 1.399 1.399 weight 1.000 ! spec=15N_..._new, no=607, id=1909, vol=3.985539e+05
assign (segid "   A" and resid   84 and name HG22) (segid "   A" and resid   84 and name   HN) 2.875 1.033 1.033 weight 1.000 ! spec=15N_..._new, no=610, id=1912, vol=1.103967e+06
    or (segid "   A" and resid   84 and name HG21) (segid "   A" and resid   84 and name   HN)
    or (segid "   A" and resid   84 and name HG23) (segid "   A" and resid   84 and name   HN)
assign (segid "   A" and resid   84 and name   HN) (segid "   A" and resid   78 and name   HN) 3.674 1.687 1.687 weight 1.000 ! spec=15N_..._new, no=612, id=1914, vol=1.890099e+05
assign (segid "   A" and resid   85 and name   HN) (segid "   A" and resid   84 and name HG22) 3.072 1.180 1.180 weight 1.000 ! spec=15N_..._new, no=614, id=1916, vol=5.628188e+05
    or (segid "   A" and resid   85 and name   HN) (segid "   A" and resid   84 and name HG21)
    or (segid "   A" and resid   85 and name   HN) (segid "   A" and resid   84 and name HG23)
assign (segid "   A" and resid   85 and name  HB1) (segid "   A" and resid   85 and name   HN) 2.328 0.678 0.678 weight 1.000 ! spec=15N_..._new, no=616, id=1918, vol=3.120992e+06
    or (segid "   A" and resid   85 and name  HB2) (segid "   A" and resid   85 and name   HN)
    or (segid "   A" and resid   85 and name  HB3) (segid "   A" and resid   85 and name   HN)
assign (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   85 and name   HN) 2.692 0.906 0.906 weight 1.000 ! spec=15N_..._new, no=619, id=1921, vol=1.269352e+06
assign (segid "   A" and resid   84 and name   HN) (segid "   A" and resid   85 and name   HN) 2.111 0.557 0.557 weight 1.000 ! spec=15N_..._new, no=620, id=1922, vol=5.567024e+06
assign (segid "   A" and resid   86 and name   HA) (segid "   A" and resid   86 and name   HN) 2.614 0.854 0.854 weight 1.000 ! spec=15N_..._new, no=623, id=1925, vol=1.622656e+06
assign (segid "   A" and resid   86 and name  HB2) (segid "   A" and resid   86 and name   HN) 2.311 0.668 0.668 weight 1.000 ! spec=15N_..._new, no=626, id=1928, vol=3.363271e+06
assign (segid "   A" and resid   87 and name   HB) (segid "   A" and resid   87 and name   HN) 2.587 0.837 0.837 weight 1.000 ! spec=15N_..._new, no=631, id=1933, vol=1.817945e+06
assign (segid "   A" and resid   87 and name   HN) (segid "   A" and resid   85 and name  HB1) 3.284 1.348 1.348 weight 1.000 ! spec=15N_..._new, no=633, id=1935, vol=3.861290e+05
    or (segid "   A" and resid   87 and name   HN) (segid "   A" and resid   85 and name  HB2)
    or (segid "   A" and resid   87 and name   HN) (segid "   A" and resid   85 and name  HB3)
assign (segid "   A" and resid   87 and name   HN) (segid "   A" and resid   86 and name  HG2) 2.546 0.810 0.810 weight 1.000 ! spec=15N_..._new, no=634, id=1936, vol=2.225041e+06
assign (segid "   A" and resid   87 and name   HN) (segid "   A" and resid   87 and name   HA) 2.864 1.025 1.025 weight 1.000 ! spec=15N_..._new, no=636, id=1938, vol=1.002484e+06
assign (segid "   A" and resid   86 and name   HN) (segid "   A" and resid   87 and name   HN) 3.528 1.556 1.556 weight 1.000 ! spec=15N_..._new, no=638, id=1940, vol=1.262093e+05
assign (segid "   A" and resid   88 and name   HN) (segid "   A" and resid   88 and name   HA) 2.998 1.124 1.124 weight 1.000 ! spec=15N_..._new, no=641, id=1943, vol=7.572687e+05
assign (segid "   A" and resid   88 and name   HN) (segid "   A" and resid   91 and name  HB1) 3.551 1.576 1.576 weight 1.000 ! spec=15N_..._new, no=644, id=1945, vol=1.830518e+05
assign (segid "   A" and resid   89 and name   HN) (segid "   A" and resid   71 and name  HB2) 3.549 1.575 1.575 weight 1.000 ! spec=15N_..._new, no=649, id=1950, vol=2.604054e+05
    or (segid "   A" and resid   89 and name   HN) (segid "   A" and resid   71 and name  HB1)
    or (segid "   A" and resid   89 and name   HN) (segid "   A" and resid   71 and name  HB3)
assign (segid "   A" and resid   89 and name   HN) (segid "   A" and resid   88 and name   HB) 3.352 1.404 1.404 weight 1.000 ! spec=15N_..._new, no=650, id=1951, vol=3.652135e+05
assign (segid "   A" and resid   89 and name  HA2) (segid "   A" and resid   89 and name   HN) 2.556 0.817 0.817 weight 1.000 ! spec=15N_..._new, no=652, id=1953, vol=2.132025e+06
assign (segid "   A" and resid   89 and name   HN) (segid "   A" and resid   75 and name   HN) 3.682 1.695 1.695 weight 1.000 ! spec=15N_..._new, no=656, id=1957, vol=2.320664e+05
assign (segid "   A" and resid   91 and name  HB1) (segid "   A" and resid   91 and name   HN) 2.590 0.838 0.838 weight 1.000 ! spec=15N_..._new, no=661, id=1961, vol=1.620144e+06
assign (segid "   A" and resid   94 and name   HN) (segid "   A" and resid   95 and name   HN) 2.326 0.676 0.676 weight 1.000 ! spec=15N_..._new, no=667, id=1967, vol=2.993212e+06
assign (segid "   A" and resid   94 and name   HN) (segid "   A" and resid   91 and name  HB2) 3.161 1.249 1.249 weight 1.000 ! spec=15N_..._new, no=671, id=1970, vol=4.321506e+05
assign (segid "   A" and resid   95 and name   HB) (segid "   A" and resid   95 and name   HN) 2.213 0.612 0.612 weight 1.000 ! spec=15N_..._new, no=675, id=1974, vol=4.710012e+06
assign (segid "   A" and resid   95 and name   HN) (segid "   A" and resid   96 and name   HN) 2.540 0.807 0.807 weight 1.000 ! spec=15N_..._new, no=680, id=1979, vol=1.990912e+06
assign (segid "   A" and resid   95 and name HG23) (segid "   A" and resid   96 and name   HN) 2.735 0.935 0.935 weight 1.000 ! spec=15N_..._new, no=681, id=1980, vol=1.324720e+06
    or (segid "   A" and resid   95 and name HG21) (segid "   A" and resid   96 and name   HN)
    or (segid "   A" and resid   95 and name HG22) (segid "   A" and resid   96 and name   HN)
assign (segid "   A" and resid   96 and name   HN) (segid "   A" and resid   96 and name  HG1) 3.053 1.165 1.165 weight 1.000 ! spec=15N_..._new, no=682, id=1981, vol=6.691599e+05
assign (segid "   A" and resid   96 and name   HN) (segid "   A" and resid   96 and name  HB1) 2.117 0.560 0.560 weight 1.000 ! spec=15N_..._new, no=683, id=1982, vol=6.219915e+06
assign (segid "   A" and resid   96 and name   HN) (segid "   A" and resid   95 and name   HA) 3.187 1.269 1.269 weight 1.000 ! spec=15N_..._new, no=684, id=1983, vol=4.743518e+05
assign (segid "   A" and resid   96 and name   HN) (segid "   A" and resid   94 and name   HN) 2.977 1.108 1.108 weight 1.000 ! spec=15N_..._new, no=689, id=1988, vol=7.869638e+05
assign (segid "   A" and resid   96 and name   HN) (segid "   A" and resid   97 and name   HN) 2.448 0.749 0.749 weight 1.000 ! spec=15N_..._new, no=690, id=1989, vol=2.102403e+06
assign (segid "   A" and resid   97 and name   HN) (segid "   A" and resid   98 and name   HN) 2.387 0.712 0.712 weight 1.000 ! spec=15N_..._new, no=691, id=1990, vol=2.621429e+06
assign (segid "   A" and resid   94 and name   HA) (segid "   A" and resid   97 and name   HN) 2.732 0.933 0.933 weight 1.000 ! spec=15N_..._new, no=692, id=1991, vol=1.228759e+06
assign (segid "   A" and resid   97 and name   HN) (segid "   A" and resid   97 and name   HA) 2.418 0.731 0.731 weight 1.000 ! spec=15N_..._new, no=693, id=1992, vol=2.390391e+06
assign (segid "   A" and resid   96 and name   HA) (segid "   A" and resid   97 and name   HN) 3.112 1.211 1.211 weight 1.000 ! spec=15N_..._new, no=694, id=1993, vol=5.593811e+05
assign (segid "   A" and resid   97 and name  HB1) (segid "   A" and resid   97 and name   HN) 2.105 0.554 0.554 weight 1.000 ! spec=15N_..._new, no=696, id=1995, vol=5.624619e+06
assign (segid "   A" and resid   97 and name   HN) (segid "   A" and resid   96 and name  HB1) 2.301 0.662 0.662 weight 1.000 ! spec=15N_..._new, no=697, id=1996, vol=3.180270e+06
assign (segid "   A" and resid   97 and name   HN) (segid "   A" and resid   95 and name HG23) 3.310 1.369 1.369 weight 1.000 ! spec=15N_..._new, no=700, id=1999, vol=1.702343e+05
    or (segid "   A" and resid   97 and name   HN) (segid "   A" and resid   95 and name HG21)
    or (segid "   A" and resid   97 and name   HN) (segid "   A" and resid   95 and name HG22)
assign (segid "   A" and resid   96 and name   HN) (segid "   A" and resid   98 and name   HN) 3.181 1.265 1.265 weight 1.000 ! spec=15N_..._new, no=701, id=2000, vol=5.174472e+05
assign (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   42 and name   HN) 2.447 0.749 0.749 weight 1.000 ! spec=15N_..._new, no=704, id=2003, vol=2.475319e+06
assign (segid "   A" and resid   98 and name   HN) (segid "   A" and resid   99 and name   HA) 3.620 1.638 1.638 weight 1.000 ! spec=15N_..._new, no=705, id=2004, vol=1.762602e+05
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   41 and name  HB1) 2.429 0.737 0.737 weight 1.000 ! spec=15N_..._new, no=707, id=2006, vol=2.545174e+06
assign (segid "   A" and resid   99 and name HD13) (segid "   A" and resid   99 and name   HN) 3.023 1.142 1.142 weight 1.000 ! spec=15N_..._new, no=711, id=2010, vol=4.967830e+05
    or (segid "   A" and resid   99 and name HD11) (segid "   A" and resid   99 and name   HN)
    or (segid "   A" and resid   99 and name HD12) (segid "   A" and resid   99 and name   HN)
assign (segid "   A" and resid   99 and name HG21) (segid "   A" and resid   99 and name   HN) 2.558 0.818 0.818 weight 1.000 ! spec=15N_..._new, no=712, id=2011, vol=1.659033e+06
    or (segid "   A" and resid   99 and name HG22) (segid "   A" and resid   99 and name   HN)
    or (segid "   A" and resid   99 and name HG23) (segid "   A" and resid   99 and name   HN)
assign (segid "   A" and resid   99 and name   HB) (segid "   A" and resid   99 and name   HN) 2.182 0.595 0.595 weight 1.000 ! spec=15N_..._new, no=713, id=2012, vol=4.391361e+06
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name  HB2) 2.322 0.674 0.674 weight 1.000 ! spec=15N_..._new, no=716, id=2015, vol=2.996728e+06
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid    9 and name   HA) 2.944 1.084 1.084 weight 1.000 ! spec=15N_..._new, no=717, id=2016, vol=7.052559e+05
assign (segid "   A" and resid   99 and name   HN) (segid "   A" and resid  100 and name   HN) 2.485 0.772 0.772 weight 1.000 ! spec=15N_..._new, no=721, id=2020, vol=2.048446e+06
assign (segid "   A" and resid  100 and name   HN) (segid "   A" and resid  100 and name   HA) 2.509 0.787 0.787 weight 1.000 ! spec=15N_..._new, no=725, id=2024, vol=1.938502e+06
assign (segid "   A" and resid  100 and name   HN) (segid "   A" and resid   96 and name  HD2) 3.201 1.280 1.280 weight 1.000 ! spec=15N_..._new, no=727, id=2026, vol=4.818889e+05
assign (segid "   A" and resid  100 and name   HN) (segid "   A" and resid   99 and name HG21) 3.168 1.255 1.255 weight 1.000 ! spec=15N_..._new, no=730, id=2029, vol=5.215958e+05
    or (segid "   A" and resid  100 and name   HN) (segid "   A" and resid   99 and name HG22)
    or (segid "   A" and resid  100 and name   HN) (segid "   A" and resid   99 and name HG23)
assign (segid "   A" and resid   99 and name HD13) (segid "   A" and resid  100 and name   HN) 2.838 1.006 1.006 weight 1.000 ! spec=15N_..._new, no=731, id=2030, vol=8.919292e+05
    or (segid "   A" and resid   99 and name HD11) (segid "   A" and resid  100 and name   HN)
    or (segid "   A" and resid   99 and name HD12) (segid "   A" and resid  100 and name   HN)
assign (segid "   A" and resid  100 and name   HN) (segid "   A" and resid  101 and name   HN) 2.535 0.803 0.803 weight 1.000 ! spec=15N_..._new, no=732, id=2031, vol=2.113014e+06
assign (segid "   A" and resid  101 and name   HN) (segid "   A" and resid  102 and name   HN) 2.454 0.753 0.753 weight 1.000 ! spec=15N_..._new, no=733, id=2032, vol=2.625161e+06
assign (segid "   A" and resid  101 and name   HN) (segid "   A" and resid  100 and name   HA) 3.115 1.213 1.213 weight 1.000 ! spec=15N_..._new, no=734, id=2033, vol=5.631808e+05
assign (segid "   A" and resid  101 and name  HB2) (segid "   A" and resid  102 and name   HN) 2.603 0.847 0.847 weight 1.000 ! spec=15N_..._new, no=738, id=2037, vol=1.694517e+06
    or (segid "   A" and resid  101 and name  HB1) (segid "   A" and resid  102 and name   HN)
    or (segid "   A" and resid  101 and name  HB3) (segid "   A" and resid  102 and name   HN)
assign (segid "   A" and resid  102 and name  HB2) (segid "   A" and resid  102 and name   HN) 2.491 0.776 0.776 weight 1.000 ! spec=15N_..._new, no=739, id=2038, vol=2.134232e+06
assign (segid "   A" and resid  102 and name  HB1) (segid "   A" and resid  102 and name   HN) 2.829 1.000 1.000 weight 1.000 ! spec=15N_..._new, no=740, id=2039, vol=8.762181e+05
assign (segid "   A" and resid   99 and name   HA) (segid "   A" and resid  102 and name   HN) 3.255 1.324 1.324 weight 1.000 ! spec=15N_..._new, no=741, id=2040, vol=3.794773e+05
assign (segid "   A" and resid  102 and name   HN) (segid "   A" and resid  100 and name   HA) 3.434 1.474 1.474 weight 1.000 ! spec=15N_..._new, no=743, id=2042, vol=2.601044e+05
assign (segid "   A" and resid  102 and name   HN) (segid "   A" and resid  102 and name   HA) 2.746 0.942 0.942 weight 1.000 ! spec=15N_..._new, no=744, id=2043, vol=1.209732e+06
assign (segid "   A" and resid  100 and name   HN) (segid "   A" and resid  102 and name   HN) 2.743 0.941 0.941 weight 1.000 ! spec=15N_..._new, no=746, id=2045, vol=1.330914e+06
assign (segid "   A" and resid  102 and name   HN) (segid "   A" and resid  103 and name   HN) 2.078 0.540 0.540 weight 1.000 ! spec=15N_..._new, no=749, id=2048, vol=6.009055e+06
assign (segid "   A" and resid  103 and name   HN) (segid "   A" and resid  102 and name   HA) 2.910 1.058 1.058 weight 1.000 ! spec=15N_..._new, no=750, id=2049, vol=8.246643e+05
assign (segid "   A" and resid  103 and name   HA) (segid "   A" and resid  103 and name   HN) 2.470 0.763 0.763 weight 1.000 ! spec=15N_..._new, no=751, id=2050, vol=2.031247e+06
assign (segid "   A" and resid  103 and name   HN) (segid "   A" and resid   99 and name   HA) 3.454 1.491 1.491 weight 1.000 ! spec=15N_..._new, no=752, id=2051, vol=2.200728e+05
assign (segid "   A" and resid  103 and name   HN) (segid "   A" and resid  102 and name  HB1) 3.279 1.344 1.344 weight 1.000 ! spec=15N_..._new, no=753, id=2052, vol=3.006961e+05
assign (segid "   A" and resid  103 and name   HN) (segid "   A" and resid  102 and name  HB2) 3.023 1.142 1.142 weight 1.000 ! spec=15N_..._new, no=754, id=2053, vol=6.665591e+05
assign (segid "   A" and resid  103 and name   HN) (segid "   A" and resid   84 and name HG11) 2.799 0.979 0.979 weight 1.000 ! spec=15N_..._new, no=755, id=2054, vol=9.362500e+05
    or (segid "   A" and resid  103 and name   HN) (segid "   A" and resid   84 and name HG12)
    or (segid "   A" and resid  103 and name   HN) (segid "   A" and resid   84 and name HG13)
assign (segid "   A" and resid  103 and name   HN) (segid "   A" and resid   99 and name HD13) 3.591 1.612 1.612 weight 1.000 ! spec=15N_..._new, no=757, id=2056, vol=1.749196e+05
    or (segid "   A" and resid  103 and name   HN) (segid "   A" and resid   99 and name HD11)
    or (segid "   A" and resid  103 and name   HN) (segid "   A" and resid   99 and name HD12)
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   28 and name   HN) 3.166 1.253 1.253 weight 1.000 ! spec=15N_..._new, no=758, id=2057, vol=5.250443e+05
assign (segid "   A" and resid   78 and name   HN) (segid "   A" and resid   23 and name   HN) 3.594 1.614 1.614 weight 1.000 ! spec=15N_..._new, no=760, id=2059, vol=1.566313e+05
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   34 and name  HB1) 3.669 1.683 1.683 weight 1.000 ! spec=15N_..._new, no=764, id=2063, vol=1.991859e+05
assign (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   47 and name  HD2) 3.701 1.712 1.712 weight 1.000 ! spec=15N_..._new, no=766, id=2065, vol=1.634582e+05
    or (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   47 and name  HD1)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid   11 and name   HN) 3.722 1.731 1.731 weight 1.000 ! spec=15N_..._new, no=769, id=2068, vol=2.070062e+05
assign (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   67 and name HD22) 2.964 1.098 1.098 weight 1.000 ! spec=15N_..._new, no=772, id=2071, vol=6.599749e+05
assign (segid "   A" and resid   67 and name HD22) (segid "   A" and resid   11 and name  HE1) 2.709 0.917 0.917 weight 1.000 ! spec=15N_..._new, no=773, id=2072, vol=1.435329e+06
    or (segid "   A" and resid   67 and name HD22) (segid "   A" and resid   11 and name  HE2)
assign (segid "   A" and resid    4 and name HE21) (segid "   A" and resid    4 and name  HG1) 3.185 1.268 1.268 weight 1.000 ! spec=15N_..._new, no=775, id=2074, vol=5.064712e+05
assign (segid "   A" and resid    4 and name HE22) (segid "   A" and resid    4 and name  HG1) 3.377 1.426 1.426 weight 1.000 ! spec=15N_..._new, no=776, id=2075, vol=2.810442e+05
assign (segid "   A" and resid    4 and name HE22) (segid "   A" and resid    6 and name  HB1) 3.086 1.191 1.191 weight 1.000 ! spec=15N_..._new, no=777, id=2076, vol=5.534540e+05
assign (segid "   A" and resid    4 and name HE21) (segid "   A" and resid    6 and name  HB1) 2.897 1.049 1.049 weight 1.000 ! spec=15N_..._new, no=778, id=2077, vol=8.239927e+05
assign (segid "   A" and resid    4 and name HE21) (segid "   A" and resid    4 and name HE22) 1.813 0.411 0.411 weight 1.000 ! spec=15N_..._new, no=779, id=2078, vol=1.385758e+07
assign (segid "   A" and resid   67 and name HD22) (segid "   A" and resid   66 and name  HG1) 3.580 1.602 1.602 weight 1.000 ! spec=15N_..._new, no=782, id=2081, vol=1.835696e+05
assign (segid "   A" and resid   67 and name HD22) (segid "   A" and resid   66 and name  HB2) 3.442 1.481 1.481 weight 1.000 ! spec=15N_..._new, no=783, id=2082, vol=3.105973e+05
assign (segid "   A" and resid   67 and name HD22) (segid "   A" and resid   67 and name  HB2) 3.033 1.150 1.150 weight 1.000 ! spec=15N_..._new, no=784, id=2083, vol=6.856422e+05
assign (segid "   A" and resid   67 and name HD22) (segid "   A" and resid   67 and name  HB1) 3.508 1.538 1.538 weight 1.000 ! spec=15N_..._new, no=785, id=2084, vol=3.220521e+05
assign (segid "   A" and resid   67 and name HD22) (segid "   A" and resid   67 and name HD21) 2.000 0.500 0.500 weight 1.000 ! spec=15N_..._new, no=786, id=2085, vol=8.096631e+06
assign (segid "   A" and resid   67 and name HD21) (segid "   A" and resid   67 and name   HN) 2.686 0.902 0.902 weight 1.000 ! spec=15N_..._new, no=787, id=2086, vol=1.458596e+06
assign (segid "   A" and resid   67 and name  HB2) (segid "   A" and resid   67 and name HD21) 2.709 0.917 0.917 weight 1.000 ! spec=15N_..._new, no=789, id=2088, vol=1.397974e+06
assign (segid "   A" and resid   67 and name HD21) (segid "   A" and resid   66 and name  HB2) 3.142 1.234 1.234 weight 1.000 ! spec=15N_..._new, no=790, id=2089, vol=5.253949e+05
assign (segid "   A" and resid   67 and name HD21) (segid "   A" and resid   66 and name  HG1) 3.381 1.429 1.429 weight 1.000 ! spec=15N_..._new, no=791, id=2090, vol=3.192748e+05
assign (segid "   A" and resid   80 and name HD22) (segid "   A" and resid   80 and name HD21) 1.607 0.323 0.323 weight 1.000 ! spec=15N_..._new, no=794, id=2093, vol=2.592482e+07
assign (segid "   A" and resid   80 and name HD22) (segid "   A" and resid   80 and name  HB1) 3.278 1.343 1.343 weight 1.000 ! spec=15N_..._new, no=795, id=2094, vol=3.455262e+05
assign (segid "   A" and resid   80 and name HD21) (segid "   A" and resid   80 and name  HB1) 2.895 1.048 1.048 weight 1.000 ! spec=15N_..._new, no=796, id=2095, vol=7.784746e+05
assign (segid "   A" and resid   80 and name HD21) (segid "   A" and resid   80 and name  HB2) 2.785 0.969 0.969 weight 1.000 ! spec=15N_..._new, no=797, id=2096, vol=1.030531e+06
assign (segid "   A" and resid   80 and name HD22) (segid "   A" and resid   80 and name  HB2) 3.096 1.198 1.198 weight 1.000 ! spec=15N_..._new, no=798, id=2097, vol=5.637133e+05
assign (segid "   A" and resid   80 and name HD22) (segid "   A" and resid   79 and name  HB1) 3.245 1.316 1.316 weight 1.000 ! spec=15N_..._new, no=799, id=2098, vol=1.991488e+05
assign (segid "   A" and resid   80 and name HD21) (segid "   A" and resid   79 and name  HB2) 3.392 1.438 1.438 weight 1.000 ! spec=15N_..._new, no=800, id=2099, vol=1.484555e+05
assign (segid "   A" and resid   80 and name HD22) (segid "   A" and resid   82 and name  HG2) 3.646 1.662 1.662 weight 1.000 ! spec=15N_..._new, no=801, id=2100, vol=1.770217e+05
assign (segid "   A" and resid   97 and name HE21) (segid "   A" and resid   97 and name HE22) 1.771 0.392 0.392 weight 1.000 ! spec=15N_..._new, no=803, id=2102, vol=2.145496e+07
assign (segid "   A" and resid   49 and name HE21) (segid "   A" and resid   20 and name  HB2) 3.034 1.151 1.151 weight 1.000 ! spec=15N_..._new, no=805, id=2104, vol=5.716385e+05
assign (segid "   A" and resid   49 and name HE21) (segid "   A" and resid   49 and name  HB1) 2.936 1.077 1.077 weight 1.000 ! spec=15N_..._new, no=806, id=2105, vol=8.204915e+05
assign (segid "   A" and resid   49 and name  HG1) (segid "   A" and resid   49 and name HE21) 2.612 0.853 0.853 weight 1.000 ! spec=15N_..._new, no=807, id=2106, vol=1.737175e+06
assign (segid "   A" and resid   49 and name HE21) (segid "   A" and resid   49 and name HE22) 1.884 0.444 0.444 weight 1.000 ! spec=15N_..._new, no=809, id=2108, vol=1.086118e+07
assign (segid "   A" and resid   49 and name HE22) (segid "   A" and resid   20 and name  HB2) 3.304 1.365 1.365 weight 1.000 ! spec=15N_..._new, no=814, id=2111, vol=3.090644e+05
assign (segid "   A" and resid   91 and name HD21) (segid "   A" and resid   98 and name  HB1) 3.031 1.148 1.148 weight 1.000 ! spec=15N_..._new, no=815, id=2112, vol=6.274727e+05
    or (segid "   A" and resid   91 and name HD21) (segid "   A" and resid   98 and name  HB3)
    or (segid "   A" and resid   91 and name HD21) (segid "   A" and resid   98 and name  HB2)
assign (segid "   A" and resid   91 and name HD21) (segid "   A" and resid   91 and name  HB1) 2.826 0.999 0.999 weight 1.000 ! spec=15N_..._new, no=817, id=2114, vol=8.136091e+05
assign (segid "   A" and resid   91 and name HD21) (segid "   A" and resid   91 and name HD22) 1.810 0.409 0.409 weight 1.000 ! spec=15N_..._new, no=818, id=2115, vol=1.410734e+07
assign (segid "   A" and resid   91 and name HD21) (segid "   A" and resid   91 and name  HB2) 3.522 1.551 1.551 weight 1.000 ! spec=15N_..._new, no=819, id=2116, vol=2.348668e+05
assign (segid "   A" and resid   91 and name HD22) (segid "   A" and resid   91 and name  HB1) 2.446 0.748 0.748 weight 1.000 ! spec=15N_..._new, no=821, id=2118, vol=2.421490e+06
assign (segid "   A" and resid   91 and name HD22) (segid "   A" and resid   98 and name  HB1) 2.952 1.089 1.089 weight 1.000 ! spec=15N_..._new, no=823, id=2120, vol=7.330039e+05
    or (segid "   A" and resid   91 and name HD22) (segid "   A" and resid   98 and name  HB3)
    or (segid "   A" and resid   91 and name HD22) (segid "   A" and resid   98 and name  HB2)
assign (segid "   A" and resid  102 and name HD22) (segid "   A" and resid  101 and name  HB2) 2.675 0.894 0.894 weight 1.000 ! spec=15N_..._new, no=825, id=2122, vol=1.487134e+06
    or (segid "   A" and resid  102 and name HD22) (segid "   A" and resid  101 and name  HB1)
    or (segid "   A" and resid  102 and name HD22) (segid "   A" and resid  101 and name  HB3)
assign (segid "   A" and resid  102 and name HD22) (segid "   A" and resid  102 and name  HB2) 2.649 0.877 0.877 weight 1.000 ! spec=15N_..._new, no=826, id=2123, vol=1.600538e+06
assign (segid "   A" and resid  102 and name HD22) (segid "   A" and resid  102 and name  HB1) 3.007 1.130 1.130 weight 1.000 ! spec=15N_..._new, no=827, id=2124, vol=7.149588e+05
assign (segid "   A" and resid  102 and name HD22) (segid "   A" and resid  102 and name HD21) 1.931 0.466 0.466 weight 1.000 ! spec=15N_..._new, no=830, id=2127, vol=1.014586e+07
assign (segid "   A" and resid  102 and name HD21) (segid "   A" and resid   98 and name   HA) 3.218 1.294 1.294 weight 1.000 ! spec=15N_..._new, no=831, id=2128, vol=4.326787e+05
assign (segid "   A" and resid  102 and name  HB1) (segid "   A" and resid  102 and name HD21) 3.267 1.335 1.335 weight 1.000 ! spec=15N_..._new, no=832, id=2129, vol=4.194336e+05
assign (segid "   A" and resid  102 and name HD21) (segid "   A" and resid   85 and name  HB1) 2.572 0.827 0.827 weight 1.000 ! spec=15N_..._new, no=834, id=2131, vol=1.967346e+06
    or (segid "   A" and resid  102 and name HD21) (segid "   A" and resid   85 and name  HB2)
    or (segid "   A" and resid  102 and name HD21) (segid "   A" and resid   85 and name  HB3)
assign (segid "   A" and resid  102 and name HD21) (segid "   A" and resid   20 and name HD21) 3.050 1.163 1.163 weight 1.000 ! spec=15N_..._new, no=835, id=2132, vol=6.611448e+05
    or (segid "   A" and resid  102 and name HD21) (segid "   A" and resid   20 and name HD22)
    or (segid "   A" and resid  102 and name HD21) (segid "   A" and resid   20 and name HD23)
assign (segid "   A" and resid   46 and name HE22) (segid "   A" and resid   46 and name  HG1) 2.829 1.000 1.000 weight 1.000 ! spec=15N_..._new, no=838, id=2135, vol=9.074620e+05
assign (segid "   A" and resid   46 and name HE21) (segid "   A" and resid   46 and name HE22) 1.907 0.454 0.454 weight 1.000 ! spec=15N_..._new, no=842, id=2139, vol=1.020107e+07
assign (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    5 and name  HD2) 2.421 0.733 0.733 weight 1.000 ! spec=Arom..._new, no=86, id=2147, vol=7.105589e+05
    or (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    5 and name  HD1)
assign (segid "   A" and resid   47 and name  HB1) (segid "   A" and resid   47 and name  HD2) 2.266 0.642 0.642 weight 1.000 ! spec=Arom..._new, no=88, id=2148, vol=1.046944e+06
    or (segid "   A" and resid   47 and name  HB1) (segid "   A" and resid   47 and name  HD1)
assign (segid "   A" and resid   53 and name  HB2) (segid "   A" and resid   53 and name  HD1) 2.315 0.670 0.670 weight 1.000 ! spec=Arom..._new, no=93, id=2150, vol=9.865055e+05
    or (segid "   A" and resid   53 and name  HB2) (segid "   A" and resid   53 and name  HD2)
assign (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   26 and name  HD2) 2.438 0.743 0.743 weight 1.000 ! spec=Arom..._new, no=94, id=2151, vol=1.373718e+06
    or (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   26 and name  HD1)
assign (segid "   A" and resid    5 and name  HB2) (segid "   A" and resid    5 and name  HD2) 2.479 0.768 0.768 weight 1.000 ! spec=Arom..._new, no=99, id=2152, vol=4.337470e+05
    or (segid "   A" and resid    5 and name  HB2) (segid "   A" and resid    5 and name  HD1)
assign (segid "   A" and resid    5 and name  HD2) (segid "   A" and resid    5 and name  HE2) 2.201 0.605 0.605 weight 1.000 ! spec=Arom..._new, no=103, id=2153, vol=1.072771e+06
    or (segid "   A" and resid    5 and name  HD2) (segid "   A" and resid    5 and name  HE1)
    or (segid "   A" and resid    5 and name  HD1) (segid "   A" and resid    5 and name  HE2)
    or (segid "   A" and resid    5 and name  HD1) (segid "   A" and resid    5 and name  HE1)
assign (segid "   A" and resid    5 and name  HE2) (segid "   A" and resid   11 and name  HB2) 2.564 0.822 0.822 weight 1.000 ! spec=Arom..._new, no=108, id=2155, vol=3.106461e+05
    or (segid "   A" and resid    5 and name  HE1) (segid "   A" and resid   11 and name  HB2)
assign (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid   11 and name  HD1) 2.302 0.662 0.662 weight 1.000 ! spec=Arom..._new, no=109, id=2156, vol=7.955869e+05
    or (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid   11 and name  HD2)
assign (segid "   A" and resid   25 and name  HB2) (segid "   A" and resid   25 and name  HD1) 2.456 0.754 0.754 weight 1.000 ! spec=Arom..._new, no=113, id=2157, vol=1.369117e+05
    or (segid "   A" and resid   25 and name  HB2) (segid "   A" and resid   25 and name  HD2)
assign (segid "   A" and resid   43 and name  HB1) (segid "   A" and resid   43 and name  HD2) 2.654 0.880 0.880 weight 1.000 ! spec=Arom..._new, no=115, id=2158, vol=2.103350e+05
    or (segid "   A" and resid   43 and name  HB1) (segid "   A" and resid   43 and name  HD1)
assign (segid "   A" and resid   52 and name  HE2) (segid "   A" and resid   44 and name  HB1) 2.351 0.691 0.691 weight 1.000 ! spec=Arom..._new, no=117, id=2160, vol=1.064370e+06
    or (segid "   A" and resid   52 and name  HE1) (segid "   A" and resid   44 and name  HB1)
assign (segid "   A" and resid   25 and name  HB1) (segid "   A" and resid   25 and name  HD1) 2.531 0.801 0.801 weight 1.000 ! spec=Arom..._new, no=119, id=2161, vol=2.733378e+05
    or (segid "   A" and resid   25 and name  HB1) (segid "   A" and resid   25 and name  HD2)
assign (segid "   A" and resid   52 and name  HD2) (segid "   A" and resid   52 and name  HE2) 2.385 0.711 0.711 weight 1.000 ! spec=Arom..._new, no=120, id=2162, vol=1.124777e+06
    or (segid "   A" and resid   52 and name  HD2) (segid "   A" and resid   52 and name  HE1)
    or (segid "   A" and resid   52 and name  HD1) (segid "   A" and resid   52 and name  HE2)
    or (segid "   A" and resid   52 and name  HD1) (segid "   A" and resid   52 and name  HE1)
assign (segid "   A" and resid    5 and name  HE2) (segid "   A" and resid    5 and name   HZ) 2.301 0.662 0.662 weight 1.000 ! spec=Arom..._new, no=129, id=2164, vol=1.124211e+06
    or (segid "   A" and resid    5 and name  HE1) (segid "   A" and resid    5 and name   HZ)
assign (segid "   A" and resid   26 and name  HE2) (segid "   A" and resid   24 and name  HB1) 2.267 0.642 0.642 weight 1.000 ! spec=Arom..._new, no=130, id=2165, vol=1.088633e+06
    or (segid "   A" and resid   26 and name  HE2) (segid "   A" and resid   24 and name  HB2)
    or (segid "   A" and resid   26 and name  HE2) (segid "   A" and resid   24 and name  HB3)
    or (segid "   A" and resid   26 and name  HE1) (segid "   A" and resid   24 and name  HB1)
    or (segid "   A" and resid   26 and name  HE1) (segid "   A" and resid   24 and name  HB2)
    or (segid "   A" and resid   26 and name  HE1) (segid "   A" and resid   24 and name  HB3)
assign (segid "   A" and resid   26 and name  HE2) (segid "   A" and resid   26 and name  HD2) 2.089 0.546 0.546 weight 1.000 ! spec=Arom..._new, no=132, id=2167, vol=1.803166e+06
    or (segid "   A" and resid   26 and name  HE2) (segid "   A" and resid   26 and name  HD1)
    or (segid "   A" and resid   26 and name  HE1) (segid "   A" and resid   26 and name  HD2)
    or (segid "   A" and resid   26 and name  HE1) (segid "   A" and resid   26 and name  HD1)
assign (segid "   A" and resid   47 and name  HD2) (segid "   A" and resid   47 and name  HE2) 1.988 0.494 0.494 weight 1.000 ! spec=Arom..._new, no=135, id=2168, vol=2.343212e+06
    or (segid "   A" and resid   47 and name  HD2) (segid "   A" and resid   47 and name  HE1)
    or (segid "   A" and resid   47 and name  HD1) (segid "   A" and resid   47 and name  HE2)
    or (segid "   A" and resid   47 and name  HD1) (segid "   A" and resid   47 and name  HE1)
assign (segid "   A" and resid   53 and name  HB1) (segid "   A" and resid   53 and name  HD1) 2.455 0.753 0.753 weight 1.000 ! spec=Arom..._new, no=137, id=2170, vol=1.162110e+06
    or (segid "   A" and resid   53 and name  HB1) (segid "   A" and resid   53 and name  HD2)

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           1H       MET   1  -9.514  -1.441  11.293
    2    H2   MET   1           2H       MET   1  -8.088  -2.332  11.463
    3    H3   MET   1           3H       MET   1  -8.867  -2.261   9.967
    4    HA   MET   1           HA       MET   1  -8.417   0.058   9.760
    5    HB2  MET   1           1HB      MET   1  -6.854   1.101  11.451
    6    HB3  MET   1           2HB      MET   1  -8.485   0.797  12.022
    7    HG2  MET   1           1HG      MET   1  -7.058   0.195  13.781
    8    HG3  MET   1           2HG      MET   1  -7.597  -1.320  13.065
    9    HE1  MET   1           3HE      MET   1  -3.946  -2.107  14.287
   10    HE2  MET   1           1HE      MET   1  -5.647  -2.555  14.407
   11    HE3  MET   1           2HE      MET   1  -5.091  -1.015  15.066
   12    H    VAL   2           H        VAL   2  -6.365   0.829   8.887
   13    HA   VAL   2           HA       VAL   2  -4.575  -1.427   8.347
   14    HB   VAL   2           HB       VAL   2  -4.453  -0.722   6.249
   15   HG11  VAL   2          1HG1      VAL   2  -6.760  -0.015   6.550
   16   HG12  VAL   2          2HG1      VAL   2  -5.926   1.018   5.387
   17   HG13  VAL   2          3HG1      VAL   2  -6.217   1.591   7.033
   18   HG21  VAL   2          3HG2      VAL   2  -3.489   1.404   5.602
   19   HG22  VAL   2          1HG2      VAL   2  -2.584   0.684   6.927
   20   HG23  VAL   2          2HG2      VAL   2  -3.694   2.017   7.238
   21    H    THR   3           H        THR   3  -2.419  -1.365   8.748
   22    HA   THR   3           HA       THR   3  -1.600   0.449  10.861
   23    HB   THR   3           HB       THR   3  -0.869  -2.221   9.956
   24    HG1  THR   3           1HG      THR   3  -0.248  -2.319  12.216
   25   HG21  THR   3          3HG2      THR   3   1.402  -0.451  10.869
   26   HG22  THR   3          1HG2      THR   3   1.181  -1.032   9.211
   27   HG23  THR   3          2HG2      THR   3   1.481  -2.180  10.528
   28    H    GLN   4           H        GLN   4   0.135   1.773  10.844
   29    HA   GLN   4           HA       GLN   4   1.345   2.349   8.233
   30    HB2  GLN   4           1HB      GLN   4   1.926   4.580   9.424
   31    HB3  GLN   4           2HB      GLN   4   0.285   4.327   8.852
   32    HG2  GLN   4           1HG      GLN   4  -0.444   4.800  10.878
   33    HG3  GLN   4           2HG      GLN   4   0.331   3.327  11.464
   34   HE21  GLN   4          1HE2      GLN   4   3.033   4.360  10.891
   35   HE22  GLN   4          2HE2      GLN   4   3.362   5.522  12.127
   36    H    PHE   5           H        PHE   5   3.363   1.684   8.029
   37    HA   PHE   5           HA       PHE   5   4.936   0.795  10.254
   38    HB2  PHE   5           1HB      PHE   5   5.670   1.235   7.352
   39    HB3  PHE   5           2HB      PHE   5   6.757   0.547   8.545
   40    HD1  PHE   5           2HD      PHE   5   4.834  -1.226   9.996
   41    HD2  PHE   5           1HD      PHE   5   5.417  -0.502   5.847
   42    HE1  PHE   5           2HE      PHE   5   3.976  -3.475   9.486
   43    HE2  PHE   5           1HE      PHE   5   4.568  -2.748   5.322
   44    HZ   PHE   5           HZ       PHE   5   3.843  -4.239   7.149
   45    H    LYS   6           H        LYS   6   7.164   1.616  10.623
   46    HA   LYS   6           HA       LYS   6   7.212   4.542  10.399
   47    HB2  LYS   6           1HB      LYS   6   8.566   4.523  12.482
   48    HB3  LYS   6           2HB      LYS   6   6.928   3.919  12.690
   49    HG2  LYS   6           1HG      LYS   6   7.749   1.634  12.633
   50    HG3  LYS   6           2HG      LYS   6   9.394   2.220  12.390
   51    HD2  LYS   6           1HD      LYS   6   9.008   1.621  14.726
   52    HD3  LYS   6           2HD      LYS   6   9.325   3.347  14.554
   53    HE2  LYS   6           1HE      LYS   6   6.952   3.825  14.724
   54    HE3  LYS   6           2HE      LYS   6   6.588   2.102  14.803
   55    HZ1  LYS   6           3HZ      LYS   6   7.801   1.971  16.877
   56    HZ2  LYS   6           1HZ      LYS   6   6.571   3.126  16.990
   57    HZ3  LYS   6           2HZ      LYS   6   8.178   3.619  16.798
   58    H    THR   7           H        THR   7   8.864   1.652   9.614
   59    HA   THR   7           HA       THR   7  11.112   3.257   8.664
   60    HB   THR   7           HB       THR   7  12.667   1.390   9.170
   61    HG1  THR   7           1HG      THR   7  11.486   0.200  11.153
   62   HG21  THR   7          3HG2      THR   7  11.298   2.636  11.557
   63   HG22  THR   7          1HG2      THR   7  12.597   3.360  10.608
   64   HG23  THR   7          2HG2      THR   7  12.904   1.905  11.557
   65    H    ALA   8           H        ALA   8  12.152   2.550   6.812
   66    HA   ALA   8           HA       ALA   8  10.728   1.143   4.863
   67    HB1  ALA   8           1HB      ALA   8  12.677   2.606   4.412
   68    HB2  ALA   8           2HB      ALA   8  12.830   1.023   3.650
   69    HB3  ALA   8           3HB      ALA   8  13.732   1.385   5.122
   70    H    SER   9           H        SER   9  12.883   0.155   7.412
   71    HA   SER   9           HA       SER   9  13.334  -2.513   6.747
   72    HB2  SER   9           1HB      SER   9  12.976  -1.518   9.567
   73    HB3  SER   9           2HB      SER   9  14.078  -2.761   8.972
   74    HG   SER   9           HG       SER   9  15.076  -0.986   7.736
   75    H    GLU  10           H        GLU  10  10.666  -0.979   8.561
   76    HA   GLU  10           HA       GLU  10   9.401  -3.427   9.279
   77    HB2  GLU  10           1HB      GLU  10   8.294  -0.636   8.958
   78    HB3  GLU  10           2HB      GLU  10   7.342  -1.986   9.558
   79    HG2  GLU  10           1HG      GLU  10   9.810  -0.822  10.823
   80    HG3  GLU  10           2HG      GLU  10   8.151  -0.652  11.394
   81    H    PHE  11           H        PHE  11   9.017  -1.242   6.562
   82    HA   PHE  11           HA       PHE  11   6.919  -2.627   5.277
   83    HB2  PHE  11           1HB      PHE  11   7.135  -0.444   4.593
   84    HB3  PHE  11           2HB      PHE  11   8.890  -0.508   4.532
   85    HD1  PHE  11           2HD      PHE  11   5.784  -1.165   2.725
   86    HD2  PHE  11           1HD      PHE  11  10.028  -1.264   2.550
   87    HE1  PHE  11           2HE      PHE  11   5.667  -1.395   0.279
   88    HE2  PHE  11           1HE      PHE  11   9.923  -1.488   0.101
   89    HZ   PHE  11           HZ       PHE  11   7.741  -1.554  -1.038
   90    H    ASP  12           H        ASP  12  10.432  -2.668   4.820
   91    HA   ASP  12           HA       ASP  12  10.578  -4.447   2.689
   92    HB2  ASP  12           1HB      ASP  12  12.526  -3.216   3.364
   93    HB3  ASP  12           2HB      ASP  12  12.501  -3.946   4.965
   94    H    SER  13           H        SER  13  10.631  -5.138   6.176
   95    HA   SER  13           HA       SER  13  10.978  -7.928   5.841
   96    HB2  SER  13           1HB      SER  13   9.861  -6.447   8.232
   97    HB3  SER  13           2HB      SER  13  10.527  -8.078   8.232
   98    HG   SER  13           HG       SER  13  11.809  -5.749   8.496
   99    H    ALA  14           H        ALA  14   8.155  -5.881   5.900
  100    HA   ALA  14           HA       ALA  14   6.291  -8.024   6.238
  101    HB1  ALA  14           1HB      ALA  14   4.602  -6.391   5.485
  102    HB2  ALA  14           2HB      ALA  14   5.897  -5.251   5.116
  103    HB3  ALA  14           3HB      ALA  14   5.619  -5.761   6.783
  104    H    ILE  15           H        ILE  15   7.336  -6.099   3.443
  105    HA   ILE  15           HA       ILE  15   5.745  -7.518   1.595
  106    HB   ILE  15           HB       ILE  15   7.014  -6.363  -0.139
  107   HG12  ILE  15          1HG1      ILE  15   8.690  -5.127   2.032
  108   HG13  ILE  15          2HG1      ILE  15   9.213  -6.571   1.175
  109   HG21  ILE  15          1HG2      ILE  15   6.491  -4.071   0.549
  110   HG22  ILE  15          2HG2      ILE  15   6.338  -4.611   2.220
  111   HG23  ILE  15          3HG2      ILE  15   5.208  -5.192   0.999
  112   HD11  ILE  15          3HD1      ILE  15   9.127  -5.350  -0.932
  113   HD12  ILE  15          1HD1      ILE  15  10.197  -4.563   0.226
  114   HD13  ILE  15          2HD1      ILE  15   8.588  -3.907  -0.075
  115    H    ALA  16           H        ALA  16   8.794  -8.258   3.029
  116    HA   ALA  16           HA       ALA  16   9.731  -9.914   0.855
  117    HB1  ALA  16           1HB      ALA  16  11.564 -10.488   2.299
  118    HB2  ALA  16           2HB      ALA  16  10.716  -9.829   3.697
  119    HB3  ALA  16           3HB      ALA  16  11.274  -8.750   2.415
  120    H    GLN  17           H        GLN  17   7.414 -10.284   3.191
  121    HA   GLN  17           HA       GLN  17   7.855 -13.026   3.860
  122    HB2  GLN  17           1HB      GLN  17   5.400 -11.277   4.141
  123    HB3  GLN  17           2HB      GLN  17   5.545 -12.901   4.801
  124    HG2  GLN  17           1HG      GLN  17   7.296 -12.215   6.274
  125    HG3  GLN  17           2HG      GLN  17   7.375 -10.625   5.517
  126   HE21  GLN  17          1HE2      GLN  17   6.989  -9.557   7.429
  127   HE22  GLN  17          2HE2      GLN  17   5.439  -9.543   8.198
  128    H    ASP  18           H        ASP  18   6.311 -14.748   3.306
  129    HA   ASP  18           HA       ASP  18   5.942 -14.877   0.464
  130    HB2  ASP  18           1HB      ASP  18   5.158 -17.129   0.888
  131    HB3  ASP  18           2HB      ASP  18   6.679 -16.841   1.717
  132    H    LYS  19           H        LYS  19   4.304 -13.071   2.158
  133    HA   LYS  19           HA       LYS  19   1.615 -14.047   1.484
  134    HB2  LYS  19           1HB      LYS  19   0.775 -13.329   3.458
  135    HB3  LYS  19           2HB      LYS  19   2.382 -13.789   3.969
  136    HG2  LYS  19           1HG      LYS  19   3.106 -11.562   4.115
  137    HG3  LYS  19           2HG      LYS  19   1.718 -10.964   3.200
  138    HD2  LYS  19           1HD      LYS  19   1.604 -12.227   5.937
  139    HD3  LYS  19           2HD      LYS  19   1.500 -10.499   5.601
  140    HE2  LYS  19           1HE      LYS  19  -0.569 -10.727   4.506
  141    HE3  LYS  19           2HE      LYS  19  -0.404 -12.478   4.372
  142    HZ1  LYS  19           3HZ      LYS  19  -0.894 -10.893   6.839
  143    HZ2  LYS  19           1HZ      LYS  19  -0.528 -12.551   6.841
  144    HZ3  LYS  19           2HZ      LYS  19  -1.945 -12.000   6.100
  145    H    LEU  20           H        LEU  20   0.027 -12.272   1.196
  146    HA   LEU  20           HA       LEU  20   1.069 -10.301  -0.622
  147    HB2  LEU  20           1HB      LEU  20  -1.125 -11.554  -0.857
  148    HB3  LEU  20           2HB      LEU  20  -1.744 -10.572   0.449
  149    HG   LEU  20           HG       LEU  20  -2.488  -9.793  -1.755
  150   HD11  LEU  20          1HD1      LEU  20  -0.664  -7.840  -0.390
  151   HD12  LEU  20          2HD1      LEU  20  -2.347  -8.171   0.026
  152   HD13  LEU  20          3HD1      LEU  20  -1.952  -7.437  -1.528
  153   HD21  LEU  20          3HD2      LEU  20  -0.525 -10.470  -3.046
  154   HD22  LEU  20          1HD2      LEU  20   0.400  -9.173  -2.284
  155   HD23  LEU  20          2HD2      LEU  20  -0.974  -8.785  -3.324
  156    H    VAL  21           H        VAL  21   2.060  -8.557   0.180
  157    HA   VAL  21           HA       VAL  21   0.706  -7.157   2.399
  158    HB   VAL  21           HB       VAL  21   3.656  -7.041   1.700
  159   HG11  VAL  21          1HG1      VAL  21   3.870  -5.569   3.633
  160   HG12  VAL  21          2HG1      VAL  21   2.127  -5.667   3.921
  161   HG13  VAL  21          3HG1      VAL  21   2.738  -4.875   2.462
  162   HG21  VAL  21          3HG2      VAL  21   3.964  -8.067   3.910
  163   HG22  VAL  21          1HG2      VAL  21   3.026  -9.106   2.838
  164   HG23  VAL  21          2HG2      VAL  21   2.214  -8.180   4.101
  165    H    VAL  22           H        VAL  22  -0.504  -5.622   1.508
  166    HA   VAL  22           HA       VAL  22   0.709  -3.992  -0.583
  167    HB   VAL  22           HB       VAL  22  -1.274  -4.489  -1.522
  168   HG11  VAL  22          1HG1      VAL  22  -3.389  -4.846  -0.335
  169   HG12  VAL  22          2HG1      VAL  22  -2.556  -4.542   1.193
  170   HG13  VAL  22          3HG1      VAL  22  -2.104  -5.930   0.195
  171   HG21  VAL  22          3HG2      VAL  22  -1.255  -2.090  -1.383
  172   HG22  VAL  22          1HG2      VAL  22  -2.025  -2.144   0.203
  173   HG23  VAL  22          2HG2      VAL  22  -2.911  -2.677  -1.225
  174    H    VAL  23           H        VAL  23   1.827  -2.430   0.169
  175    HA   VAL  23           HA       VAL  23   0.857  -0.842   2.446
  176    HB   VAL  23           HB       VAL  23   3.578  -0.867   1.123
  177   HG11  VAL  23          1HG1      VAL  23   4.307   0.413   3.065
  178   HG12  VAL  23          2HG1      VAL  23   2.648   0.457   3.661
  179   HG13  VAL  23          3HG1      VAL  23   3.066   1.271   2.153
  180   HG21  VAL  23          3HG2      VAL  23   2.494  -2.280   3.531
  181   HG22  VAL  23          1HG2      VAL  23   4.210  -1.904   3.386
  182   HG23  VAL  23          2HG2      VAL  23   3.427  -2.930   2.186
  183    H    ALA  24           H        ALA  24   0.445   1.368   2.219
  184    HA   ALA  24           HA       ALA  24   0.784   2.491  -0.472
  185    HB1  ALA  24           1HB      ALA  24  -1.621   1.987   0.421
  186    HB2  ALA  24           2HB      ALA  24  -1.281   3.457  -0.486
  187    HB3  ALA  24           3HB      ALA  24  -1.381   3.515   1.271
  188    H    PHE  25           H        PHE  25   2.135   4.025  -0.628
  189    HA   PHE  25           HA       PHE  25   3.076   5.511   1.610
  190    HB2  PHE  25           1HB      PHE  25   3.453   5.806  -1.362
  191    HB3  PHE  25           2HB      PHE  25   4.216   6.885  -0.194
  192    HD1  PHE  25           1HD      PHE  25   5.438   5.558   1.784
  193    HD2  PHE  25           2HD      PHE  25   4.705   4.042  -2.123
  194    HE1  PHE  25           1HE      PHE  25   7.278   3.953   2.066
  195    HE2  PHE  25           2HE      PHE  25   6.557   2.437  -1.850
  196    HZ   PHE  25           HZ       PHE  25   7.836   2.389   0.250
  197    H    TYR  26           H        TYR  26   2.321   7.275   2.469
  198    HA   TYR  26           HA       TYR  26   0.066   8.676   1.180
  199    HB2  TYR  26           1HB      TYR  26   0.384   7.408   3.785
  200    HB3  TYR  26           2HB      TYR  26  -0.122   9.085   3.919
  201    HD1  TYR  26           2HD      TYR  26  -0.993   6.302   1.587
  202    HD2  TYR  26           1HD      TYR  26  -2.335   9.234   4.353
  203    HE1  TYR  26           2HE      TYR  26  -3.315   5.613   1.188
  204    HE2  TYR  26           1HE      TYR  26  -4.657   8.551   3.967
  205    HH   TYR  26           HH       TYR  26  -5.966   7.429   2.236
  206    H    ALA  27           H        ALA  27  -0.335  10.727   2.687
  207    HA   ALA  27           HA       ALA  27   1.939  11.992   3.804
  208    HB1  ALA  27           1HB      ALA  27   0.950  13.047   1.144
  209    HB2  ALA  27           2HB      ALA  27   2.522  12.306   1.443
  210    HB3  ALA  27           3HB      ALA  27   2.116  13.848   2.197
  211    H    THR  28           H        THR  28   1.346  14.034   4.759
  212    HA   THR  28           HA       THR  28  -1.446  14.132   5.457
  213    HB   THR  28           HB       THR  28  -0.466  16.235   6.764
  214    HG1  THR  28           1HG      THR  28   1.844  14.646   6.787
  215   HG21  THR  28          3HG2      THR  28  -1.412  14.245   7.811
  216   HG22  THR  28          1HG2      THR  28   0.084  14.713   8.618
  217   HG23  THR  28          2HG2      THR  28   0.076  13.354   7.495
  218    H    TRP  29           H        TRP  29   0.267  15.391   2.932
  219    HA   TRP  29           HA       TRP  29  -1.310  17.863   2.865
  220    HB2  TRP  29           1HB      TRP  29   0.488  18.555   1.136
  221    HB3  TRP  29           2HB      TRP  29   0.896  18.571   2.847
  222    HD1  TRP  29           HD       TRP  29   2.660  16.816   3.705
  223    HE1  TRP  29           1HE      TRP  29   4.395  15.342   2.495
  224    HE3  TRP  29           3HE      TRP  29   0.839  17.174  -1.054
  225    HZ2  TRP  29           2HZ      TRP  29   4.906  14.446  -0.133
  226    HZ3  TRP  29           3HZ      TRP  29   2.006  15.975  -2.858
  227    HH2  TRP  29           HH       TRP  29   3.997  14.641  -2.407
  228    H    CYS  30           H        CYS  30  -2.366  15.304   1.940
  229    HA   CYS  30           HA       CYS  30  -2.825  16.117  -0.835
  230    HB2  CYS  30           1HB      CYS  30  -3.000  13.630  -1.409
  231    HB3  CYS  30           2HB      CYS  30  -1.392  14.310  -1.199
  232    H    GLY  31           H        GLY  31  -4.817  15.831  -1.663
  233    HA2  GLY  31           1HA      GLY  31  -6.997  15.333   0.168
  234    HA3  GLY  31           2HA      GLY  31  -7.126  15.845  -1.503
  235    HA   PRO  32           HA       PRO  32  -7.828  11.796  -3.084
  236    HB2  PRO  32           1HB      PRO  32  -5.554  10.521  -3.959
  237    HB3  PRO  32           2HB      PRO  32  -6.429  11.742  -4.888
  238    HG2  PRO  32           1HG      PRO  32  -3.970  12.025  -3.221
  239    HG3  PRO  32           2HG      PRO  32  -4.359  12.765  -4.784
  240    HD2  PRO  32           1HD      PRO  32  -4.541  14.134  -2.473
  241    HD3  PRO  32           2HD      PRO  32  -5.650  14.416  -3.819
  242    H    CYS  33           H        CYS  33  -4.852  11.606  -1.183
  243    HA   CYS  33           HA       CYS  33  -5.100   8.974  -0.263
  244    HB2  CYS  33           1HB      CYS  33  -3.670   9.767   1.643
  245    HB3  CYS  33           2HB      CYS  33  -3.036  10.163   0.047
  246    H    LYS  34           H        LYS  34  -6.689  11.913   0.765
  247    HA   LYS  34           HA       LYS  34  -7.645  10.915   3.224
  248    HB2  LYS  34           1HB      LYS  34  -7.591  13.318   2.676
  249    HB3  LYS  34           2HB      LYS  34  -8.838  13.062   1.464
  250    HG2  LYS  34           1HG      LYS  34  -9.777  13.986   3.503
  251    HG3  LYS  34           2HG      LYS  34 -10.401  12.363   3.202
  252    HD2  LYS  34           1HD      LYS  34  -8.804  11.449   4.814
  253    HD3  LYS  34           2HD      LYS  34  -8.167  13.067   5.107
  254    HE2  LYS  34           1HE      LYS  34 -10.343  13.778   5.946
  255    HE3  LYS  34           2HE      LYS  34 -11.000  12.175   5.624
  256    HZ1  LYS  34           3HZ      LYS  34 -10.415  12.434   7.947
  257    HZ2  LYS  34           1HZ      LYS  34  -8.815  12.796   7.538
  258    HZ3  LYS  34           2HZ      LYS  34  -9.441  11.257   7.227
  259    H    MET  35           H        MET  35  -9.222  11.174   0.021
  260    HA   MET  35           HA       MET  35 -11.669  10.071   0.882
  261    HB2  MET  35           1HB      MET  35 -12.190   9.783  -1.508
  262    HB3  MET  35           2HB      MET  35 -11.602  11.390  -1.115
  263    HG2  MET  35           1HG      MET  35  -9.361  10.678  -1.927
  264    HG3  MET  35           2HG      MET  35 -10.099   9.169  -2.451
  265    HE1  MET  35           3HE      MET  35 -12.991  10.319  -3.424
  266    HE2  MET  35           1HE      MET  35 -12.079   9.072  -4.273
  267    HE3  MET  35           2HE      MET  35 -12.667  10.486  -5.148
  268    H    ILE  36           H        ILE  36  -8.914   8.441  -0.703
  269    HA   ILE  36           HA       ILE  36 -10.324   5.950  -0.682
  270    HB   ILE  36           HB       ILE  36  -8.817   5.388  -2.188
  271   HG12  ILE  36          1HG1      ILE  36  -7.777   4.467   0.066
  272   HG13  ILE  36          2HG1      ILE  36  -7.004   4.217  -1.484
  273   HG21  ILE  36          1HG2      ILE  36  -6.850   6.721  -2.756
  274   HG22  ILE  36          2HG2      ILE  36  -7.109   7.692  -1.307
  275   HG23  ILE  36          3HG2      ILE  36  -8.311   7.697  -2.597
  276   HD11  ILE  36          3HD1      ILE  36  -6.316   6.411   0.461
  277   HD12  ILE  36          1HD1      ILE  36  -5.468   6.023  -1.038
  278   HD13  ILE  36          2HD1      ILE  36  -5.446   4.877   0.310
  279    H    ALA  37           H        ALA  37  -8.563   7.719   1.636
  280    HA   ALA  37           HA       ALA  37  -7.471   5.679   3.173
  281    HB1  ALA  37           1HB      ALA  37  -7.285   7.247   4.943
  282    HB2  ALA  37           2HB      ALA  37  -8.554   8.260   4.259
  283    HB3  ALA  37           3HB      ALA  37  -7.008   8.093   3.413
  284    HA   PRO  38           HA       PRO  38 -11.631   5.127   5.514
  285    HB2  PRO  38           1HB      PRO  38 -13.672   6.319   3.773
  286    HB3  PRO  38           2HB      PRO  38 -13.465   6.466   5.521
  287    HG2  PRO  38           1HG      PRO  38 -12.965   8.517   3.867
  288    HG3  PRO  38           2HG      PRO  38 -12.003   8.239   5.332
  289    HD2  PRO  38           1HD      PRO  38 -11.362   7.542   2.488
  290    HD3  PRO  38           2HD      PRO  38 -10.328   8.282   3.722
  291    H    MET  39           H        MET  39 -11.661   5.298   1.944
  292    HA   MET  39           HA       MET  39 -13.345   3.016   1.644
  293    HB2  MET  39           1HB      MET  39 -11.255   4.003  -0.294
  294    HB3  MET  39           2HB      MET  39 -12.601   2.941  -0.671
  295    HG2  MET  39           1HG      MET  39 -12.715   5.833   0.130
  296    HG3  MET  39           2HG      MET  39 -13.152   5.127  -1.426
  297    HE1  MET  39           3HE      MET  39 -14.907   7.129   0.438
  298    HE2  MET  39           1HE      MET  39 -16.518   6.444   0.225
  299    HE3  MET  39           2HE      MET  39 -15.441   6.608  -1.159
  300    H    ILE  40           H        ILE  40  -9.781   3.201   1.253
  301    HA   ILE  40           HA       ILE  40  -9.392   0.445   1.230
  302    HB   ILE  40           HB       ILE  40  -7.698   2.829   1.728
  303   HG12  ILE  40          1HG1      ILE  40  -7.408   0.386  -0.021
  304   HG13  ILE  40          2HG1      ILE  40  -8.272   1.842  -0.490
  305   HG21  ILE  40          1HG2      ILE  40  -5.723   1.491   2.239
  306   HG22  ILE  40          2HG2      ILE  40  -6.745   0.064   2.421
  307   HG23  ILE  40          3HG2      ILE  40  -6.924   1.424   3.529
  308   HD11  ILE  40          3HD1      ILE  40  -5.340   1.493  -0.021
  309   HD12  ILE  40          1HD1      ILE  40  -6.122   3.072  -0.103
  310   HD13  ILE  40          2HD1      ILE  40  -6.185   1.990  -1.494
  311    H    GLU  41           H        GLU  41  -9.934   2.612   3.946
  312    HA   GLU  41           HA       GLU  41  -9.243   0.955   6.063
  313    HB2  GLU  41           1HB      GLU  41 -10.089   3.226   6.394
  314    HB3  GLU  41           2HB      GLU  41 -11.670   2.743   5.797
  315    HG2  GLU  41           1HG      GLU  41 -11.791   1.129   7.713
  316    HG3  GLU  41           2HG      GLU  41 -10.330   1.889   8.347
  317    H    LYS  42           H        LYS  42 -12.274   1.038   4.179
  318    HA   LYS  42           HA       LYS  42 -13.426  -1.167   5.514
  319    HB2  LYS  42           1HB      LYS  42 -14.955   0.199   4.370
  320    HB3  LYS  42           2HB      LYS  42 -13.977   0.222   2.908
  321    HG2  LYS  42           1HG      LYS  42 -15.998  -1.100   2.603
  322    HG3  LYS  42           2HG      LYS  42 -14.556  -2.107   2.469
  323    HD2  LYS  42           1HD      LYS  42 -16.176  -3.301   3.750
  324    HD3  LYS  42           2HD      LYS  42 -14.886  -2.784   4.835
  325    HE2  LYS  42           1HE      LYS  42 -16.251  -0.946   5.630
  326    HE3  LYS  42           2HE      LYS  42 -17.524  -1.362   4.484
  327    HZ1  LYS  42           3HZ      LYS  42 -18.025  -2.191   6.687
  328    HZ2  LYS  42           1HZ      LYS  42 -16.580  -3.072   6.728
  329    HZ3  LYS  42           2HZ      LYS  42 -17.797  -3.479   5.620
  330    H    PHE  43           H        PHE  43 -11.639  -0.935   2.488
  331    HA   PHE  43           HA       PHE  43 -11.938  -3.609   1.761
  332    HB2  PHE  43           1HB      PHE  43  -9.777  -1.637   1.005
  333    HB3  PHE  43           2HB      PHE  43 -10.017  -3.200   0.230
  334    HD1  PHE  43           1HD      PHE  43 -13.073  -1.774   1.255
  335    HD2  PHE  43           2HD      PHE  43 -10.151  -1.649  -1.847
  336    HE1  PHE  43           1HE      PHE  43 -14.728  -0.737  -0.254
  337    HE2  PHE  43           2HE      PHE  43 -11.802  -0.596  -3.346
  338    HZ   PHE  43           HZ       PHE  43 -14.086  -0.144  -2.556
  339    H    SER  44           H        SER  44  -9.900  -2.107   4.050
  340    HA   SER  44           HA       SER  44  -7.977  -4.284   4.057
  341    HB2  SER  44           1HB      SER  44  -6.800  -2.961   5.758
  342    HB3  SER  44           2HB      SER  44  -7.196  -1.959   4.346
  343    HG   SER  44           HG       SER  44  -8.774  -0.970   5.489
  344    H    GLU  45           H        GLU  45 -10.882  -3.333   5.447
  345    HA   GLU  45           HA       GLU  45 -10.755  -5.073   7.747
  346    HB2  GLU  45           1HB      GLU  45 -12.209  -3.070   7.672
  347    HB3  GLU  45           2HB      GLU  45 -13.117  -3.787   6.351
  348    HG2  GLU  45           1HG      GLU  45 -13.846  -5.586   7.828
  349    HG3  GLU  45           2HG      GLU  45 -12.931  -4.863   9.152
  350    H    GLN  46           H        GLN  46 -11.524  -5.304   4.370
  351    HA   GLN  46           HA       GLN  46 -12.779  -7.893   4.771
  352    HB2  GLN  46           1HB      GLN  46 -12.743  -7.449   2.025
  353    HB3  GLN  46           2HB      GLN  46 -14.111  -7.265   3.107
  354    HG2  GLN  46           1HG      GLN  46 -13.883  -4.967   3.211
  355    HG3  GLN  46           2HG      GLN  46 -12.194  -4.999   2.715
  356   HE21  GLN  46          1HE2      GLN  46 -15.500  -5.124   1.681
  357   HE22  GLN  46          2HE2      GLN  46 -15.198  -4.899  -0.006
  358    H    TYR  47           H        TYR  47  -9.719  -7.006   4.560
  359    HA   TYR  47           HA       TYR  47  -9.003  -9.455   3.060
  360    HB2  TYR  47           1HB      TYR  47  -6.980  -7.527   4.197
  361    HB3  TYR  47           2HB      TYR  47  -6.729  -8.770   2.971
  362    HD1  TYR  47           2HD      TYR  47  -9.251  -8.094   1.357
  363    HD2  TYR  47           1HD      TYR  47  -6.088  -5.715   2.966
  364    HE1  TYR  47           2HE      TYR  47  -9.651  -6.411  -0.391
  365    HE2  TYR  47           1HE      TYR  47  -6.497  -4.034   1.210
  366    HH   TYR  47           HH       TYR  47  -7.488  -3.773  -0.920
  367    HA   PRO  48           HA       PRO  48  -8.586 -11.191   7.222
  368    HB2  PRO  48           1HB      PRO  48  -9.085 -13.755   6.001
  369    HB3  PRO  48           2HB      PRO  48 -10.105 -12.856   7.121
  370    HG2  PRO  48           1HG      PRO  48 -10.744 -13.305   4.497
  371    HG3  PRO  48           2HG      PRO  48 -11.350 -11.936   5.443
  372    HD2  PRO  48           1HD      PRO  48  -9.118 -12.026   3.456
  373    HD3  PRO  48           2HD      PRO  48 -10.349 -10.771   3.717
  374    H    GLN  49           H        GLN  49  -7.323 -12.616   4.194
  375    HA   GLN  49           HA       GLN  49  -5.125 -13.751   5.755
  376    HB2  GLN  49           1HB      GLN  49  -4.678 -15.192   3.814
  377    HB3  GLN  49           2HB      GLN  49  -6.269 -15.412   4.497
  378    HG2  GLN  49           1HG      GLN  49  -6.941 -15.358   2.380
  379    HG3  GLN  49           2HG      GLN  49  -6.814 -13.613   2.578
  380   HE21  GLN  49          1HE2      GLN  49  -5.083 -12.539   1.687
  381   HE22  GLN  49          2HE2      GLN  49  -4.094 -13.233   0.449
  382    H    ALA  50           H        ALA  50  -5.786 -11.232   3.623
  383    HA   ALA  50           HA       ALA  50  -2.936 -10.875   3.059
  384    HB1  ALA  50           1HB      ALA  50  -3.669  -9.160   1.435
  385    HB2  ALA  50           2HB      ALA  50  -5.345  -9.542   1.823
  386    HB3  ALA  50           3HB      ALA  50  -4.315 -10.761   1.077
  387    H    ASP  51           H        ASP  51  -2.245  -8.538   3.217
  388    HA   ASP  51           HA       ASP  51  -3.509  -7.318   5.560
  389    HB2  ASP  51           1HB      ASP  51  -0.718  -8.247   5.227
  390    HB3  ASP  51           2HB      ASP  51  -0.929  -6.704   6.051
  391    H    PHE  52           H        PHE  52  -3.675  -5.216   5.647
  392    HA   PHE  52           HA       PHE  52  -2.676  -3.685   3.358
  393    HB2  PHE  52           1HB      PHE  52  -5.219  -3.907   4.355
  394    HB3  PHE  52           2HB      PHE  52  -4.650  -2.402   5.080
  395    HD1  PHE  52           1HD      PHE  52  -2.797  -1.625   2.763
  396    HD2  PHE  52           2HD      PHE  52  -6.804  -2.991   2.949
  397    HE1  PHE  52           1HE      PHE  52  -3.292  -0.455   0.659
  398    HE2  PHE  52           2HE      PHE  52  -7.319  -1.830   0.893
  399    HZ   PHE  52           HZ       PHE  52  -5.560  -0.560  -0.295
  400    H    TYR  53           H        TYR  53  -1.203  -2.117   3.715
  401    HA   TYR  53           HA       TYR  53  -1.169  -0.821   6.348
  402    HB2  TYR  53           1HB      TYR  53   1.356  -1.566   4.857
  403    HB3  TYR  53           2HB      TYR  53   1.238  -0.840   6.465
  404    HD1  TYR  53           2HD      TYR  53  -0.119  -2.249   8.204
  405    HD2  TYR  53           1HD      TYR  53   1.694  -3.871   4.727
  406    HE1  TYR  53           2HE      TYR  53  -0.110  -4.465   9.258
  407    HE2  TYR  53           1HE      TYR  53   1.704  -6.102   5.770
  408    HH   TYR  53           HH       TYR  53   1.682  -7.046   8.103
  409    H    LYS  54           H        LYS  54  -0.417   1.368   6.286
  410    HA   LYS  54           HA       LYS  54   0.047   2.485   3.618
  411    HB2  LYS  54           1HB      LYS  54  -2.122   3.409   5.496
  412    HB3  LYS  54           2HB      LYS  54  -1.496   4.425   4.208
  413    HG2  LYS  54           1HG      LYS  54  -2.153   2.590   2.607
  414    HG3  LYS  54           2HG      LYS  54  -2.992   1.829   3.945
  415    HD2  LYS  54           1HD      LYS  54  -3.524   4.656   3.055
  416    HD3  LYS  54           2HD      LYS  54  -4.423   3.276   2.421
  417    HE2  LYS  54           1HE      LYS  54  -5.779   4.105   4.130
  418    HE3  LYS  54           2HE      LYS  54  -4.941   2.758   4.891
  419    HZ1  LYS  54           3HZ      LYS  54  -4.199   5.623   5.163
  420    HZ2  LYS  54           1HZ      LYS  54  -3.419   4.329   5.918
  421    HZ3  LYS  54           2HZ      LYS  54  -5.012   4.708   6.321
  422    H    LEU  55           H        LEU  55   1.803   3.763   3.655
  423    HA   LEU  55           HA       LEU  55   2.840   4.469   6.330
  424    HB2  LEU  55           1HB      LEU  55   4.349   4.547   3.748
  425    HB3  LEU  55           2HB      LEU  55   4.990   4.590   5.378
  426    HG   LEU  55           HG       LEU  55   3.888   2.278   3.867
  427   HD11  LEU  55          1HD1      LEU  55   6.259   2.603   5.655
  428   HD12  LEU  55          2HD1      LEU  55   6.292   2.834   3.907
  429   HD13  LEU  55          3HD1      LEU  55   5.917   1.245   4.580
  430   HD21  LEU  55          3HD2      LEU  55   4.110   2.483   6.854
  431   HD22  LEU  55          1HD2      LEU  55   3.866   0.985   5.957
  432   HD23  LEU  55          2HD2      LEU  55   2.632   2.243   5.924
  433    H    ASP  56           H        ASP  56   3.959   6.512   6.635
  434    HA   ASP  56           HA       ASP  56   2.799   8.733   5.097
  435    HB2  ASP  56           1HB      ASP  56   4.353   8.580   7.686
  436    HB3  ASP  56           2HB      ASP  56   4.086  10.102   6.854
  437    H    VAL  57           H        VAL  57   3.895   9.211   3.290
  438    HA   VAL  57           HA       VAL  57   6.457   8.207   2.734
  439    HB   VAL  57           HB       VAL  57   4.409   9.044   1.238
  440   HG11  VAL  57          1HG1      VAL  57   6.351  11.341   1.086
  441   HG12  VAL  57          2HG1      VAL  57   4.692  11.408   1.676
  442   HG13  VAL  57          3HG1      VAL  57   5.009  11.057  -0.023
  443   HG21  VAL  57          3HG2      VAL  57   5.900   8.895  -0.693
  444   HG22  VAL  57          1HG2      VAL  57   6.167   7.620   0.493
  445   HG23  VAL  57          2HG2      VAL  57   7.286   8.983   0.396
  446    H    ASP  58           H        ASP  58   5.547  11.013   4.462
  447    HA   ASP  58           HA       ASP  58   7.851  12.590   3.750
  448    HB2  ASP  58           1HB      ASP  58   7.094  14.179   5.352
  449    HB3  ASP  58           2HB      ASP  58   5.652  13.536   4.577
  450    H    GLU  59           H        GLU  59   7.017  10.191   6.080
  451    HA   GLU  59           HA       GLU  59   9.597  10.413   7.430
  452    HB2  GLU  59           1HB      GLU  59   7.205   8.621   7.846
  453    HB3  GLU  59           2HB      GLU  59   8.717   8.416   8.721
  454    HG2  GLU  59           1HG      GLU  59   7.030  10.907   8.761
  455    HG3  GLU  59           2HG      GLU  59   7.010   9.647   9.994
  456    H    LEU  60           H        LEU  60   7.782   8.301   5.306
  457    HA   LEU  60           HA       LEU  60  10.095   6.542   4.994
  458    HB2  LEU  60           1HB      LEU  60   7.183   6.282   4.284
  459    HB3  LEU  60           2HB      LEU  60   8.388   5.222   3.574
  460    HG   LEU  60           HG       LEU  60   7.447   4.046   5.391
  461   HD11  LEU  60          1HD1      LEU  60  10.030   5.204   6.409
  462   HD12  LEU  60          2HD1      LEU  60   9.903   3.918   5.206
  463   HD13  LEU  60          3HD1      LEU  60   9.315   3.654   6.852
  464   HD21  LEU  60          3HD2      LEU  60   7.304   4.913   7.664
  465   HD22  LEU  60          1HD2      LEU  60   6.386   5.917   6.542
  466   HD23  LEU  60          2HD2      LEU  60   7.962   6.457   7.123
  467    H    GLY  61           H        GLY  61  10.784   8.811   3.937
  468    HA2  GLY  61           1HA      GLY  61   9.894   9.160   1.226
  469    HA3  GLY  61           2HA      GLY  61  11.203  10.026   2.017
  470    H    ASP  62           H        ASP  62  12.822   7.951   2.788
  471    HA   ASP  62           HA       ASP  62  14.310   7.542   0.451
  472    HB2  ASP  62           1HB      ASP  62  15.365   7.593   2.635
  473    HB3  ASP  62           2HB      ASP  62  14.483   6.154   3.127
  474    H    VAL  63           H        VAL  63  12.216   5.309   2.268
  475    HA   VAL  63           HA       VAL  63  12.645   3.087   0.575
  476    HB   VAL  63           HB       VAL  63  11.683   2.733   2.775
  477   HG11  VAL  63          1HG1      VAL  63   9.271   4.216   1.810
  478   HG12  VAL  63          2HG1      VAL  63  10.442   4.799   2.993
  479   HG13  VAL  63          3HG1      VAL  63   9.452   3.382   3.356
  480   HG21  VAL  63          3HG2      VAL  63   9.777   2.059   0.559
  481   HG22  VAL  63          1HG2      VAL  63   9.746   1.334   2.167
  482   HG23  VAL  63          2HG2      VAL  63  11.140   1.082   1.113
  483    H    ALA  64           H        ALA  64  10.261   5.681   0.539
  484    HA   ALA  64           HA       ALA  64   8.730   4.837  -1.630
  485    HB1  ALA  64           1HB      ALA  64   8.118   6.714  -0.199
  486    HB2  ALA  64           2HB      ALA  64   8.114   7.179  -1.899
  487    HB3  ALA  64           3HB      ALA  64   9.455   7.656  -0.856
  488    H    GLN  65           H        GLN  65  11.824   6.526  -1.521
  489    HA   GLN  65           HA       GLN  65  11.910   7.080  -4.314
  490    HB2  GLN  65           1HB      GLN  65  14.137   6.987  -2.270
  491    HB3  GLN  65           2HB      GLN  65  14.272   7.658  -3.892
  492    HG2  GLN  65           1HG      GLN  65  12.588   8.670  -1.620
  493    HG3  GLN  65           2HG      GLN  65  13.986   9.444  -2.350
  494   HE21  GLN  65          1HE2      GLN  65  13.777  10.341  -4.440
  495   HE22  GLN  65          2HE2      GLN  65  12.229  10.782  -5.071
  496    H    LYS  66           H        LYS  66  12.986   4.447  -2.279
  497    HA   LYS  66           HA       LYS  66  14.558   3.017  -4.061
  498    HB2  LYS  66           1HB      LYS  66  12.670   2.089  -1.907
  499    HB3  LYS  66           2HB      LYS  66  13.806   1.040  -2.730
  500    HG2  LYS  66           1HG      LYS  66  15.654   2.439  -1.870
  501    HG3  LYS  66           2HG      LYS  66  14.455   3.375  -0.971
  502    HD2  LYS  66           1HD      LYS  66  13.784   1.385   0.254
  503    HD3  LYS  66           2HD      LYS  66  14.922   0.409  -0.674
  504    HE2  LYS  66           1HE      LYS  66  15.668   2.705   1.132
  505    HE3  LYS  66           2HE      LYS  66  15.767   1.001   1.568
  506    HZ1  LYS  66           3HZ      LYS  66  17.910   1.828   0.870
  507    HZ2  LYS  66           1HZ      LYS  66  17.278   2.335  -0.616
  508    HZ3  LYS  66           2HZ      LYS  66  17.352   0.686  -0.246
  509    H    ASN  67           H        ASN  67  11.105   3.126  -3.555
  510    HA   ASN  67           HA       ASN  67  10.664   1.243  -5.743
  511    HB2  ASN  67           1HB      ASN  67   8.784   2.362  -3.650
  512    HB3  ASN  67           2HB      ASN  67   8.327   1.200  -4.892
  513   HD21  ASN  67          1HD2      ASN  67  10.226   1.705  -1.990
  514   HD22  ASN  67          2HD2      ASN  67  10.474   0.029  -1.631
  515    H    GLU  68           H        GLU  68  11.504   4.087  -5.902
  516    HA   GLU  68           HA       GLU  68  11.056   6.063  -6.930
  517    HB2  GLU  68           1HB      GLU  68  10.525   5.729  -9.366
  518    HB3  GLU  68           2HB      GLU  68  11.918   4.858  -8.750
  519    HG2  GLU  68           1HG      GLU  68  10.681   2.805  -8.704
  520    HG3  GLU  68           2HG      GLU  68   9.196   3.646  -9.142
  521    H    VAL  69           H        VAL  69   9.090   5.907  -5.253
  522    HA   VAL  69           HA       VAL  69   6.501   5.994  -6.519
  523    HB   VAL  69           HB       VAL  69   7.399   6.579  -3.697
  524   HG11  VAL  69          1HG1      VAL  69   4.586   6.354  -4.759
  525   HG12  VAL  69          2HG1      VAL  69   5.366   7.838  -4.212
  526   HG13  VAL  69          3HG1      VAL  69   5.049   6.534  -3.067
  527   HG21  VAL  69          3HG2      VAL  69   7.632   4.250  -4.428
  528   HG22  VAL  69          1HG2      VAL  69   5.927   4.225  -4.869
  529   HG23  VAL  69          2HG2      VAL  69   6.399   4.427  -3.182
  530    H    SER  70           H        SER  70   5.802   7.710  -7.597
  531    HA   SER  70           HA       SER  70   6.687  10.376  -6.719
  532    HB2  SER  70           1HB      SER  70   6.500  11.041  -9.140
  533    HB3  SER  70           2HB      SER  70   7.784   9.881  -8.799
  534    HG   SER  70           HG       SER  70   5.355   9.526 -10.157
  535    H    ALA  71           H        ALA  71   4.192   8.646  -6.268
  536    HA   ALA  71           HA       ALA  71   2.268  10.778  -6.862
  537    HB1  ALA  71           1HB      ALA  71   0.573   9.110  -7.490
  538    HB2  ALA  71           2HB      ALA  71   1.790   7.841  -7.360
  539    HB3  ALA  71           3HB      ALA  71   1.951   9.095  -8.590
  540    H    MET  72           H        MET  72   0.373  10.727  -5.450
  541    HA   MET  72           HA       MET  72   0.704   9.050  -3.078
  542    HB2  MET  72           1HB      MET  72   0.502  10.867  -1.542
  543    HB3  MET  72           2HB      MET  72   1.782  11.280  -2.669
  544    HG2  MET  72           1HG      MET  72  -1.042  12.323  -2.749
  545    HG3  MET  72           2HG      MET  72   0.367  13.192  -2.150
  546    HE1  MET  72           3HE      MET  72  -1.900  13.873  -4.547
  547    HE2  MET  72           1HE      MET  72  -0.866  14.801  -5.634
  548    HE3  MET  72           2HE      MET  72  -0.783  15.075  -3.895
  549    HA   PRO  73           HA       PRO  73  -0.139   7.924  -1.932
  550    HB2  PRO  73           1HB      PRO  73  -1.788   5.868  -1.485
  551    HB3  PRO  73           2HB      PRO  73  -1.895   7.359  -0.541
  552    HG2  PRO  73           1HG      PRO  73  -3.606   6.414  -2.795
  553    HG3  PRO  73           2HG      PRO  73  -4.066   7.276  -1.318
  554    HD2  PRO  73           1HD      PRO  73  -3.711   8.449  -3.806
  555    HD3  PRO  73           2HD      PRO  73  -3.677   9.308  -2.257
  556    H    THR  74           H        THR  74   0.712   5.753  -2.358
  557    HA   THR  74           HA       THR  74   0.184   4.801  -5.079
  558    HB   THR  74           HB       THR  74   2.866   4.971  -3.689
  559    HG1  THR  74           1HG      THR  74   2.344   6.927  -4.631
  560   HG21  THR  74          3HG2      THR  74   3.800   4.024  -5.755
  561   HG22  THR  74          1HG2      THR  74   2.169   3.791  -6.384
  562   HG23  THR  74          2HG2      THR  74   2.704   2.891  -4.965
  563    H    LEU  75           H        LEU  75  -0.432   2.744  -5.167
  564    HA   LEU  75           HA       LEU  75  -0.330   1.190  -2.683
  565    HB2  LEU  75           1HB      LEU  75  -2.270   1.474  -4.902
  566    HB3  LEU  75           2HB      LEU  75  -2.132  -0.092  -4.137
  567    HG   LEU  75           HG       LEU  75  -3.970   1.208  -3.178
  568   HD11  LEU  75          1HD1      LEU  75  -2.841  -0.367  -1.735
  569   HD12  LEU  75          2HD1      LEU  75  -3.349   1.050  -0.818
  570   HD13  LEU  75          3HD1      LEU  75  -1.660   0.860  -1.281
  571   HD21  LEU  75          3HD2      LEU  75  -3.492   3.226  -1.841
  572   HD22  LEU  75          1HD2      LEU  75  -3.172   3.451  -3.561
  573   HD23  LEU  75          2HD2      LEU  75  -1.834   3.200  -2.442
  574    H    LEU  76           H        LEU  76   1.259  -0.249  -2.708
  575    HA   LEU  76           HA       LEU  76   1.598  -1.838  -5.166
  576    HB2  LEU  76           1HB      LEU  76   3.822  -1.219  -3.219
  577    HB3  LEU  76           2HB      LEU  76   3.964  -1.937  -4.810
  578    HG   LEU  76           HG       LEU  76   3.151   0.926  -4.300
  579   HD11  LEU  76          1HD1      LEU  76   5.398   1.502  -5.067
  580   HD12  LEU  76          2HD1      LEU  76   5.811  -0.210  -5.149
  581   HD13  LEU  76          3HD1      LEU  76   5.450   0.535  -3.593
  582   HD21  LEU  76          3HD2      LEU  76   2.294   0.063  -6.393
  583   HD22  LEU  76          1HD2      LEU  76   3.892  -0.549  -6.818
  584   HD23  LEU  76          2HD2      LEU  76   3.617   1.190  -6.701
  585    H    LEU  77           H        LEU  77   0.878  -3.839  -4.767
  586    HA   LEU  77           HA       LEU  77   1.261  -4.880  -2.069
  587    HB2  LEU  77           1HB      LEU  77   0.132  -6.861  -3.706
  588    HB3  LEU  77           2HB      LEU  77  -0.629  -5.963  -2.419
  589    HG   LEU  77           HG       LEU  77  -0.541  -5.027  -5.288
  590   HD11  LEU  77          1HD1      LEU  77  -2.644  -6.524  -3.720
  591   HD12  LEU  77          2HD1      LEU  77  -1.749  -7.119  -5.123
  592   HD13  LEU  77          3HD1      LEU  77  -2.902  -5.799  -5.308
  593   HD21  LEU  77          3HD2      LEU  77  -2.232  -3.471  -4.654
  594   HD22  LEU  77          1HD2      LEU  77  -0.910  -3.297  -3.499
  595   HD23  LEU  77          2HD2      LEU  77  -2.372  -4.178  -3.046
  596    H    PHE  78           H        PHE  78   2.815  -6.183  -1.542
  597    HA   PHE  78           HA       PHE  78   4.554  -7.110  -3.705
  598    HB2  PHE  78           1HB      PHE  78   5.057  -6.164  -0.923
  599    HB3  PHE  78           2HB      PHE  78   6.192  -7.289  -1.649
  600    HD1  PHE  78           1HD      PHE  78   4.751  -3.922  -1.830
  601    HD2  PHE  78           2HD      PHE  78   7.656  -6.596  -3.418
  602    HE1  PHE  78           1HE      PHE  78   5.862  -2.040  -2.958
  603    HE2  PHE  78           2HE      PHE  78   8.772  -4.717  -4.550
  604    HZ   PHE  78           HZ       PHE  78   7.873  -2.436  -4.319
  605    H    LYS  79           H        LYS  79   5.570  -9.144  -3.541
  606    HA   LYS  79           HA       LYS  79   4.484 -11.017  -1.572
  607    HB2  LYS  79           1HB      LYS  79   3.070 -11.067  -3.563
  608    HB3  LYS  79           2HB      LYS  79   4.481 -11.369  -4.567
  609    HG2  LYS  79           1HG      LYS  79   3.443 -13.446  -4.344
  610    HG3  LYS  79           2HG      LYS  79   4.766 -13.496  -3.179
  611    HD2  LYS  79           1HD      LYS  79   3.298 -13.151  -1.354
  612    HD3  LYS  79           2HD      LYS  79   1.965 -12.700  -2.420
  613    HE2  LYS  79           1HE      LYS  79   1.915 -14.974  -3.318
  614    HE3  LYS  79           2HE      LYS  79   3.249 -15.425  -2.261
  615    HZ1  LYS  79           3HZ      LYS  79   0.614 -14.457  -1.295
  616    HZ2  LYS  79           1HZ      LYS  79   1.879 -15.075  -0.355
  617    HZ3  LYS  79           2HZ      LYS  79   1.042 -16.087  -1.420
  618    H    ASN  80           H        ASN  80   6.195 -11.923  -0.662
  619    HA   ASN  80           HA       ASN  80   8.311 -12.690  -0.273
  620    HB2  ASN  80           1HB      ASN  80   8.238 -13.468  -3.195
  621    HB3  ASN  80           2HB      ASN  80   9.356 -14.091  -1.993
  622   HD21  ASN  80          1HD2      ASN  80   6.240 -14.299  -3.349
  623   HD22  ASN  80          2HD2      ASN  80   5.679 -15.632  -2.415
  624    H    GLY  81           H        GLY  81   7.994  -9.914  -1.197
  625    HA2  GLY  81           1HA      GLY  81   9.369  -8.131  -1.647
  626    HA3  GLY  81           2HA      GLY  81  10.727  -9.237  -1.511
  627    H    LYS  82           H        LYS  82   8.475 -10.282  -3.828
  628    HA   LYS  82           HA       LYS  82  10.239  -9.286  -5.961
  629    HB2  LYS  82           1HB      LYS  82   9.957 -11.305  -7.041
  630    HB3  LYS  82           2HB      LYS  82   9.914 -11.786  -5.363
  631    HG2  LYS  82           1HG      LYS  82   7.482 -11.874  -5.429
  632    HG3  LYS  82           2HG      LYS  82   7.519 -11.406  -7.131
  633    HD2  LYS  82           1HD      LYS  82   8.763 -13.428  -7.675
  634    HD3  LYS  82           2HD      LYS  82   8.787 -13.887  -5.973
  635    HE2  LYS  82           1HE      LYS  82   6.331 -13.999  -5.988
  636    HE3  LYS  82           2HE      LYS  82   6.334 -13.584  -7.702
  637    HZ1  LYS  82           3HZ      LYS  82   7.563 -16.011  -6.508
  638    HZ2  LYS  82           1HZ      LYS  82   7.569 -15.614  -8.153
  639    HZ3  LYS  82           2HZ      LYS  82   6.112 -15.962  -7.371
  640    H    GLU  83           H        GLU  83   7.493  -8.719  -4.513
  641    HA   GLU  83           HA       GLU  83   5.786  -7.277  -4.956
  642    HB2  GLU  83           1HB      GLU  83   7.344  -6.256  -6.669
  643    HB3  GLU  83           2HB      GLU  83   6.626  -7.324  -7.861
  644    HG2  GLU  83           1HG      GLU  83   4.420  -6.254  -7.359
  645    HG3  GLU  83           2HG      GLU  83   5.286  -5.087  -6.361
  646    H    VAL  84           H        VAL  84   3.666  -7.272  -6.251
  647    HA   VAL  84           HA       VAL  84   3.137  -9.794  -7.590
  648    HB   VAL  84           HB       VAL  84   2.481  -9.756  -5.056
  649   HG11  VAL  84          1HG1      VAL  84   0.062  -9.151  -4.797
  650   HG12  VAL  84          2HG1      VAL  84   0.185  -8.311  -6.342
  651   HG13  VAL  84          3HG1      VAL  84   1.169  -7.788  -4.977
  652   HG21  VAL  84          3HG2      VAL  84   0.675 -10.809  -7.211
  653   HG22  VAL  84          1HG2      VAL  84   0.656 -11.322  -5.522
  654   HG23  VAL  84          2HG2      VAL  84   2.083 -11.619  -6.520
  655    H    ALA  85           H        ALA  85   2.272  -6.499  -6.822
  656    HA   ALA  85           HA       ALA  85   1.323  -6.071  -9.506
  657    HB1  ALA  85           1HB      ALA  85  -0.719  -6.940  -8.402
  658    HB2  ALA  85           2HB      ALA  85  -0.885  -5.276  -8.975
  659    HB3  ALA  85           3HB      ALA  85  -0.620  -5.599  -7.261
  660    H    LYS  86           H        LYS  86   0.854  -3.800  -9.923
  661    HA   LYS  86           HA       LYS  86   1.712  -1.996  -7.810
  662    HB2  LYS  86           1HB      LYS  86   3.735  -2.272  -9.069
  663    HB3  LYS  86           2HB      LYS  86   2.879  -2.081 -10.594
  664    HG2  LYS  86           1HG      LYS  86   2.427   0.245 -10.078
  665    HG3  LYS  86           2HG      LYS  86   3.215   0.069  -8.515
  666    HD2  LYS  86           1HD      LYS  86   5.312  -0.548  -9.753
  667    HD3  LYS  86           2HD      LYS  86   4.479  -0.092 -11.243
  668    HE2  LYS  86           1HE      LYS  86   4.083   2.159 -10.276
  669    HE3  LYS  86           2HE      LYS  86   5.025   1.681  -8.867
  670    HZ1  LYS  86           3HZ      LYS  86   6.046   1.815 -11.650
  671    HZ2  LYS  86           1HZ      LYS  86   6.944   1.361 -10.292
  672    HZ3  LYS  86           2HZ      LYS  86   6.358   2.941 -10.430
  673    H    VAL  87           H        VAL  87   0.266  -0.440  -7.538
  674    HA   VAL  87           HA       VAL  87  -0.918   0.786  -9.942
  675    HB   VAL  87           HB       VAL  87  -2.411   0.616  -7.316
  676   HG11  VAL  87          1HG1      VAL  87  -3.270   1.291 -10.130
  677   HG12  VAL  87          2HG1      VAL  87  -3.037   2.431  -8.801
  678   HG13  VAL  87          3HG1      VAL  87  -4.331   1.232  -8.722
  679   HG21  VAL  87          3HG2      VAL  87  -2.878  -1.164  -9.710
  680   HG22  VAL  87          1HG2      VAL  87  -3.778  -1.165  -8.190
  681   HG23  VAL  87          2HG2      VAL  87  -2.088  -1.675  -8.219
  682    H    VAL  88           H        VAL  88  -0.994   3.014  -9.896
  683    HA   VAL  88           HA       VAL  88   0.151   4.338  -7.580
  684    HB   VAL  88           HB       VAL  88   2.117   3.522  -8.607
  685   HG11  VAL  88          1HG1      VAL  88   1.118   2.926 -10.756
  686   HG12  VAL  88          2HG1      VAL  88   2.661   3.775 -10.949
  687   HG13  VAL  88          3HG1      VAL  88   1.145   4.631 -11.231
  688   HG21  VAL  88          3HG2      VAL  88   3.311   5.542  -9.288
  689   HG22  VAL  88          1HG2      VAL  88   2.296   5.830  -7.874
  690   HG23  VAL  88          2HG2      VAL  88   1.776   6.392  -9.464
  691    H    GLY  89           H        GLY  89  -1.945   5.360  -7.659
  692    HA2  GLY  89           1HA      GLY  89  -1.789   7.975  -8.501
  693    HA3  GLY  89           2HA      GLY  89  -2.603   7.129  -9.807
  694    H    ALA  90           H        ALA  90  -2.776   6.965  -6.250
  695    HA   ALA  90           HA       ALA  90  -4.529   6.975  -4.802
  696    HB1  ALA  90           1HB      ALA  90  -4.609   9.322  -5.489
  697    HB2  ALA  90           2HB      ALA  90  -6.223   8.701  -5.138
  698    HB3  ALA  90           3HB      ALA  90  -5.698   8.900  -6.810
  699    H    ASN  91           H        ASN  91  -5.040   4.775  -5.173
  700    HA   ASN  91           HA       ASN  91  -7.347   4.338  -6.944
  701    HB2  ASN  91           1HB      ASN  91  -6.520   1.964  -7.099
  702    HB3  ASN  91           2HB      ASN  91  -5.510   3.167  -7.888
  703   HD21  ASN  91          1HD2      ASN  91  -5.091   0.425  -6.634
  704   HD22  ASN  91          2HD2      ASN  91  -3.705   0.644  -5.630
  705    HA   PRO  92           HA       PRO  92  -9.053   2.816  -2.993
  706    HB2  PRO  92           1HB      PRO  92 -11.577   3.917  -3.829
  707    HB3  PRO  92           2HB      PRO  92 -10.590   4.391  -2.449
  708    HG2  PRO  92           1HG      PRO  92 -11.056   5.935  -4.707
  709    HG3  PRO  92           2HG      PRO  92  -9.749   6.187  -3.543
  710    HD2  PRO  92           1HD      PRO  92  -9.676   4.962  -6.248
  711    HD3  PRO  92           2HD      PRO  92  -8.409   5.842  -5.373
  712    H    ALA  93           H        ALA  93 -10.539   3.068  -6.230
  713    HA   ALA  93           HA       ALA  93 -11.927   0.543  -5.855
  714    HB1  ALA  93           1HB      ALA  93 -11.862   2.365  -8.254
  715    HB2  ALA  93           2HB      ALA  93 -13.071   2.402  -6.972
  716    HB3  ALA  93           3HB      ALA  93 -12.937   0.989  -8.020
  717    H    ALA  94           H        ALA  94  -9.242   1.855  -7.707
  718    HA   ALA  94           HA       ALA  94  -8.843  -0.513  -9.262
  719    HB1  ALA  94           1HB      ALA  94  -6.750   0.564  -9.993
  720    HB2  ALA  94           2HB      ALA  94  -7.034   1.860  -8.833
  721    HB3  ALA  94           3HB      ALA  94  -8.155   1.613 -10.167
  722    H    ILE  95           H        ILE  95  -7.905   0.453  -6.068
  723    HA   ILE  95           HA       ILE  95  -5.710  -1.268  -5.751
  724    HB   ILE  95           HB       ILE  95  -6.610   0.324  -3.953
  725   HG12  ILE  95          1HG1      ILE  95  -5.584  -0.913  -2.210
  726   HG13  ILE  95          2HG1      ILE  95  -6.099  -2.458  -2.885
  727   HG21  ILE  95          1HG2      ILE  95  -8.925  -0.489  -3.946
  728   HG22  ILE  95          2HG2      ILE  95  -8.186  -0.564  -2.347
  729   HG23  ILE  95          3HG2      ILE  95  -8.361  -2.038  -3.307
  730   HD11  ILE  95          3HD1      ILE  95  -4.485  -2.295  -4.633
  731   HD12  ILE  95          1HD1      ILE  95  -3.673  -1.973  -3.102
  732   HD13  ILE  95          2HD1      ILE  95  -4.083  -0.640  -4.181
  733    H    LYS  96           H        LYS  96  -9.158  -1.774  -5.726
  734    HA   LYS  96           HA       LYS  96  -9.148  -4.437  -4.881
  735    HB2  LYS  96           1HB      LYS  96 -11.110  -2.957  -6.621
  736    HB3  LYS  96           2HB      LYS  96 -11.368  -4.608  -6.071
  737    HG2  LYS  96           1HG      LYS  96 -10.983  -2.215  -4.295
  738    HG3  LYS  96           2HG      LYS  96 -12.529  -2.969  -4.681
  739    HD2  LYS  96           1HD      LYS  96 -10.246  -4.448  -3.369
  740    HD3  LYS  96           2HD      LYS  96 -11.512  -3.616  -2.460
  741    HE2  LYS  96           1HE      LYS  96 -13.188  -5.014  -3.708
  742    HE3  LYS  96           2HE      LYS  96 -11.835  -5.938  -4.354
  743    HZ1  LYS  96           3HZ      LYS  96 -12.833  -6.977  -2.398
  744    HZ2  LYS  96           1HZ      LYS  96 -12.454  -5.618  -1.462
  745    HZ3  LYS  96           2HZ      LYS  96 -11.217  -6.568  -2.125
  746    H    GLN  97           H        GLN  97  -8.569  -2.970  -7.996
  747    HA   GLN  97           HA       GLN  97  -8.641  -5.194  -9.671
  748    HB2  GLN  97           1HB      GLN  97  -8.369  -2.963 -10.563
  749    HB3  GLN  97           2HB      GLN  97  -6.861  -2.747  -9.697
  750    HG2  GLN  97           1HG      GLN  97  -6.977  -4.970 -11.646
  751    HG3  GLN  97           2HG      GLN  97  -6.987  -3.333 -12.292
  752   HE21  GLN  97          1HE2      GLN  97  -5.114  -5.786 -10.747
  753   HE22  GLN  97          2HE2      GLN  97  -3.592  -4.954 -10.770
  754    H    ALA  98           H        ALA  98  -5.840  -3.830  -7.945
  755    HA   ALA  98           HA       ALA  98  -4.211  -6.134  -8.524
  756    HB1  ALA  98           1HB      ALA  98  -2.532  -5.018  -7.057
  757    HB2  ALA  98           2HB      ALA  98  -3.750  -3.810  -6.640
  758    HB3  ALA  98           3HB      ALA  98  -3.169  -3.937  -8.299
  759    H    ILE  99           H        ILE  99  -6.112  -5.057  -5.906
  760    HA   ILE  99           HA       ILE  99  -4.912  -6.739  -3.965
  761    HB   ILE  99           HB       ILE  99  -6.548  -4.516  -3.913
  762   HG12  ILE  99          1HG1      ILE  99  -4.723  -5.130  -2.396
  763   HG13  ILE  99          2HG1      ILE  99  -6.169  -4.643  -1.508
  764   HG21  ILE  99          1HG2      ILE  99  -8.509  -6.078  -4.060
  765   HG22  ILE  99          2HG2      ILE  99  -8.489  -4.963  -2.691
  766   HG23  ILE  99          3HG2      ILE  99  -8.046  -6.659  -2.459
  767   HD11  ILE  99          3HD1      ILE  99  -6.105  -7.483  -2.101
  768   HD12  ILE  99          1HD1      ILE  99  -6.373  -6.651  -0.563
  769   HD13  ILE  99          2HD1      ILE  99  -4.724  -6.950  -1.122
  770    H    ALA 100           H        ALA 100  -7.789  -6.996  -5.949
  771    HA   ALA 100           HA       ALA 100  -8.612  -9.360  -4.509
  772    HB1  ALA 100           1HB      ALA 100  -9.873  -8.064  -6.928
  773    HB2  ALA 100           2HB      ALA 100 -10.343  -7.806  -5.248
  774    HB3  ALA 100           3HB      ALA 100 -10.562  -9.390  -5.991
  775    H    ALA 101           H        ALA 101  -7.107  -8.487  -7.551
  776    HA   ALA 101           HA       ALA 101  -7.275 -11.085  -8.697
  777    HB1  ALA 101           1HB      ALA 101  -5.666 -10.270 -10.323
  778    HB2  ALA 101           2HB      ALA 101  -5.351  -8.853  -9.321
  779    HB3  ALA 101           3HB      ALA 101  -6.939  -9.081 -10.052
  780    H    ASN 102           H        ASN 102  -4.868  -9.418  -6.681
  781    HA   ASN 102           HA       ASN 102  -3.159 -11.798  -6.910
  782    HB2  ASN 102           1HB      ASN 102  -2.580  -9.123  -5.657
  783    HB3  ASN 102           2HB      ASN 102  -1.439 -10.463  -5.740
  784   HD21  ASN 102          1HD2      ASN 102  -2.976  -7.928  -7.424
  785   HD22  ASN 102          2HD2      ASN 102  -2.136  -8.101  -8.931
  786    H    ALA 103           H        ALA 103  -4.154  -9.756  -4.134
  787    HA   ALA 103           HA       ALA 103  -3.448 -11.512  -2.112
  788    HB1  ALA 103           1HB      ALA 103  -4.991 -10.334  -0.653
  789    HB2  ALA 103           2HB      ALA 103  -5.846  -9.686  -2.049
  790    HB3  ALA 103           3HB      ALA 103  -4.194  -9.183  -1.726
  Start of MODEL    2
    1    H1   MET   1           1H       MET   1  -8.742  -0.463   8.965
    2    H2   MET   1           2H       MET   1  -9.757  -0.605  10.305
    3    H3   MET   1           3H       MET   1  -8.865  -1.938   9.776
    4    HA   MET   1           HA       MET   1  -7.716   0.567  10.853
    5    HB2  MET   1           1HB      MET   1  -7.935  -2.183  12.100
    6    HB3  MET   1           2HB      MET   1  -7.065  -0.822  12.790
    7    HG2  MET   1           1HG      MET   1  -9.113   0.410  13.064
    8    HG3  MET   1           2HG      MET   1 -10.021  -0.860  12.247
    9    HE1  MET   1           3HE      MET   1  -7.090  -1.293  14.863
   10    HE2  MET   1           1HE      MET   1  -8.002  -1.382  16.369
   11    HE3  MET   1           2HE      MET   1  -7.971   0.119  15.444
   12    H    VAL   2           H        VAL   2  -6.359   0.587   8.943
   13    HA   VAL   2           HA       VAL   2  -4.500  -1.647   8.698
   14    HB   VAL   2           HB       VAL   2  -4.510  -1.154   6.535
   15   HG11  VAL   2          1HG1      VAL   2  -5.782   0.682   5.575
   16   HG12  VAL   2          2HG1      VAL   2  -5.926   1.425   7.169
   17   HG13  VAL   2          3HG1      VAL   2  -6.697  -0.128   6.848
   18   HG21  VAL   2          3HG2      VAL   2  -3.110   0.456   5.703
   19   HG22  VAL   2          1HG2      VAL   2  -2.520   0.273   7.352
   20   HG23  VAL   2          2HG2      VAL   2  -3.556   1.640   6.937
   21    H    THR   3           H        THR   3  -2.378  -1.585   9.039
   22    HA   THR   3           HA       THR   3  -1.456   0.256  11.030
   23    HB   THR   3           HB       THR   3  -0.654  -2.330   9.949
   24    HG1  THR   3           1HG      THR   3  -0.541  -0.943  12.398
   25   HG21  THR   3          3HG2      THR   3   1.278  -1.079   9.105
   26   HG22  THR   3          1HG2      THR   3   1.737  -2.160  10.431
   27   HG23  THR   3          2HG2      THR   3   1.561  -0.429  10.727
   28    H    GLN   4           H        GLN   4   0.121   1.748  10.886
   29    HA   GLN   4           HA       GLN   4   1.114   2.431   8.214
   30    HB2  GLN   4           1HB      GLN   4   1.831   4.585   9.488
   31    HB3  GLN   4           2HB      GLN   4   0.144   4.372   9.053
   32    HG2  GLN   4           1HG      GLN   4   0.047   5.146  11.232
   33    HG3  GLN   4           2HG      GLN   4  -0.147   3.404  11.406
   34   HE21  GLN   4          1HE2      GLN   4   2.914   5.016  10.780
   35   HE22  GLN   4          2HE2      GLN   4   3.629   4.644  12.309
   36    H    PHE   5           H        PHE   5   3.275   2.311   7.781
   37    HA   PHE   5           HA       PHE   5   4.936   1.130   9.867
   38    HB2  PHE   5           1HB      PHE   5   5.377   1.534   6.914
   39    HB3  PHE   5           2HB      PHE   5   6.658   0.997   7.989
   40    HD1  PHE   5           2HD      PHE   5   4.991  -0.825   9.746
   41    HD2  PHE   5           1HD      PHE   5   5.174  -0.335   5.525
   42    HE1  PHE   5           2HE      PHE   5   4.284  -3.160   9.446
   43    HE2  PHE   5           1HE      PHE   5   4.474  -2.669   5.212
   44    HZ   PHE   5           HZ       PHE   5   4.026  -4.085   7.181
   45    H    LYS   6           H        LYS   6   7.142   1.940  10.171
   46    HA   LYS   6           HA       LYS   6   7.207   4.872   9.999
   47    HB2  LYS   6           1HB      LYS   6   8.512   4.809  12.114
   48    HB3  LYS   6           2HB      LYS   6   6.865   4.215  12.281
   49    HG2  LYS   6           1HG      LYS   6   7.787   1.896  12.050
   50    HG3  LYS   6           2HG      LYS   6   9.398   2.602  12.165
   51    HD2  LYS   6           1HD      LYS   6   8.809   3.552  14.351
   52    HD3  LYS   6           2HD      LYS   6   7.214   2.807  14.235
   53    HE2  LYS   6           1HE      LYS   6   8.325   0.590  14.078
   54    HE3  LYS   6           2HE      LYS   6   9.871   1.391  14.353
   55    HZ1  LYS   6           3HZ      LYS   6   9.041   2.166  16.488
   56    HZ2  LYS   6           1HZ      LYS   6   8.990   0.478  16.394
   57    HZ3  LYS   6           2HZ      LYS   6   7.570   1.376  16.222
   58    H    THR   7           H        THR   7   8.841   1.940   9.297
   59    HA   THR   7           HA       THR   7  11.086   3.495   8.253
   60    HB   THR   7           HB       THR   7  12.630   1.641   8.785
   61    HG1  THR   7           1HG      THR   7  11.318   0.500  10.788
   62   HG21  THR   7          3HG2      THR   7  12.571   3.594  10.233
   63   HG22  THR   7          1HG2      THR   7  12.849   2.137  11.185
   64   HG23  THR   7          2HG2      THR   7  11.253   2.886  11.166
   65    H    ALA   8           H        ALA   8  12.032   2.753   6.365
   66    HA   ALA   8           HA       ALA   8  10.495   1.283   4.524
   67    HB1  ALA   8           1HB      ALA   8  13.498   1.657   4.548
   68    HB2  ALA   8           2HB      ALA   8  12.342   2.817   3.901
   69    HB3  ALA   8           3HB      ALA   8  12.506   1.224   3.156
   70    H    SER   9           H        SER   9  12.792   0.405   6.979
   71    HA   SER   9           HA       SER   9  13.245  -2.279   6.323
   72    HB2  SER   9           1HB      SER   9  14.560  -1.075   8.016
   73    HB3  SER   9           2HB      SER   9  13.140  -0.966   9.054
   74    HG   SER   9           HG       SER   9  14.610  -3.266   8.311
   75    H    GLU  10           H        GLU  10  10.694  -0.725   8.282
   76    HA   GLU  10           HA       GLU  10   9.412  -3.109   9.093
   77    HB2  GLU  10           1HB      GLU  10   8.404  -0.302   8.677
   78    HB3  GLU  10           2HB      GLU  10   7.337  -1.592   9.209
   79    HG2  GLU  10           1HG      GLU  10   9.850  -0.795  10.651
   80    HG3  GLU  10           2HG      GLU  10   8.250  -0.161  11.028
   81    H    PHE  11           H        PHE  11   8.901  -1.034   6.298
   82    HA   PHE  11           HA       PHE  11   6.798  -2.507   5.137
   83    HB2  PHE  11           1HB      PHE  11   6.971  -0.341   4.366
   84    HB3  PHE  11           2HB      PHE  11   8.720  -0.408   4.215
   85    HD1  PHE  11           1HD      PHE  11   5.525  -1.251   2.623
   86    HD2  PHE  11           2HD      PHE  11   9.755  -1.167   2.207
   87    HE1  PHE  11           1HE      PHE  11   5.285  -1.619   0.203
   88    HE2  PHE  11           2HE      PHE  11   9.525  -1.543  -0.218
   89    HZ   PHE  11           HZ       PHE  11   7.288  -1.766  -1.222
   90    H    ASP  12           H        ASP  12  10.301  -2.543   4.553
   91    HA   ASP  12           HA       ASP  12  10.259  -4.385   2.432
   92    HB2  ASP  12           1HB      ASP  12  12.189  -2.974   2.846
   93    HB3  ASP  12           2HB      ASP  12  12.468  -3.759   4.396
   94    H    SER  13           H        SER  13  10.319  -4.862   5.907
   95    HA   SER  13           HA       SER  13  10.979  -7.635   5.754
   96    HB2  SER  13           1HB      SER  13   9.696  -6.102   8.031
   97    HB3  SER  13           2HB      SER  13  10.457  -7.689   8.145
   98    HG   SER  13           HG       SER  13  11.690  -5.195   7.562
   99    H    ALA  14           H        ALA  14   7.962  -5.818   5.940
  100    HA   ALA  14           HA       ALA  14   6.256  -8.053   6.274
  101    HB1  ALA  14           1HB      ALA  14   4.481  -6.538   5.390
  102    HB2  ALA  14           2HB      ALA  14   5.733  -5.336   5.071
  103    HB3  ALA  14           3HB      ALA  14   5.406  -5.850   6.728
  104    H    ILE  15           H        ILE  15   7.320  -6.249   3.425
  105    HA   ILE  15           HA       ILE  15   5.739  -7.713   1.600
  106    HB   ILE  15           HB       ILE  15   7.049  -6.626  -0.153
  107   HG12  ILE  15          1HG1      ILE  15   8.677  -5.358   2.039
  108   HG13  ILE  15          2HG1      ILE  15   9.224  -6.780   1.166
  109   HG21  ILE  15          1HG2      ILE  15   6.345  -4.765   2.115
  110   HG22  ILE  15          2HG2      ILE  15   5.214  -5.417   0.930
  111   HG23  ILE  15          3HG2      ILE  15   6.494  -4.318   0.416
  112   HD11  ILE  15          3HD1      ILE  15   9.136  -5.520  -0.925
  113   HD12  ILE  15          1HD1      ILE  15  10.205  -4.761   0.255
  114   HD13  ILE  15          2HD1      ILE  15   8.597  -4.097  -0.035
  115    H    ALA  16           H        ALA  16   8.865  -8.293   3.016
  116    HA   ALA  16           HA       ALA  16   9.780 -10.087   0.976
  117    HB1  ALA  16           1HB      ALA  16  10.731  -9.871   3.823
  118    HB2  ALA  16           2HB      ALA  16  11.306  -8.862   2.496
  119    HB3  ALA  16           3HB      ALA  16  11.593 -10.602   2.468
  120    H    GLN  17           H        GLN  17   7.586 -10.340   3.503
  121    HA   GLN  17           HA       GLN  17   7.937 -13.140   3.973
  122    HB2  GLN  17           1HB      GLN  17   5.685 -11.267   4.697
  123    HB3  GLN  17           2HB      GLN  17   5.762 -12.950   5.194
  124    HG2  GLN  17           1HG      GLN  17   7.790 -12.508   6.445
  125    HG3  GLN  17           2HG      GLN  17   7.780 -10.832   5.895
  126   HE21  GLN  17          1HE2      GLN  17   7.684 -11.896   8.608
  127   HE22  GLN  17          2HE2      GLN  17   6.237 -11.267   9.317
  128    H    ASP  18           H        ASP  18   6.195 -14.707   3.523
  129    HA   ASP  18           HA       ASP  18   6.208 -15.168   0.841
  130    HB2  ASP  18           1HB      ASP  18   5.899 -16.960   2.360
  131    HB3  ASP  18           2HB      ASP  18   4.392 -16.284   2.955
  132    H    LYS  19           H        LYS  19   3.637 -13.396   2.506
  133    HA   LYS  19           HA       LYS  19   1.963 -13.882   0.183
  134    HB2  LYS  19           1HB      LYS  19   0.056 -13.975   1.500
  135    HB3  LYS  19           2HB      LYS  19   1.246 -14.933   2.343
  136    HG2  LYS  19           1HG      LYS  19   0.189 -12.232   3.048
  137    HG3  LYS  19           2HG      LYS  19   0.005 -13.727   3.943
  138    HD2  LYS  19           1HD      LYS  19   1.670 -12.903   5.191
  139    HD3  LYS  19           2HD      LYS  19   2.708 -13.426   3.856
  140    HE2  LYS  19           1HE      LYS  19   2.229 -11.226   2.772
  141    HE3  LYS  19           2HE      LYS  19   1.504 -10.714   4.305
  142    HZ1  LYS  19           3HZ      LYS  19   3.647 -11.213   5.399
  143    HZ2  LYS  19           1HZ      LYS  19   3.759  -9.973   4.254
  144    HZ3  LYS  19           2HZ      LYS  19   4.324 -11.518   3.878
  145    H    LEU  20           H        LEU  20   0.004 -12.305   0.398
  146    HA   LEU  20           HA       LEU  20   0.871 -10.025  -0.943
  147    HB2  LEU  20           1HB      LEU  20  -1.349 -11.319  -1.021
  148    HB3  LEU  20           2HB      LEU  20  -1.825 -10.357   0.356
  149    HG   LEU  20           HG       LEU  20  -2.768  -9.492  -1.710
  150   HD11  LEU  20          1HD1      LEU  20  -2.306  -7.902   0.051
  151   HD12  LEU  20          2HD1      LEU  20  -2.086  -7.170  -1.538
  152   HD13  LEU  20          3HD1      LEU  20  -0.681  -7.651  -0.586
  153   HD21  LEU  20          3HD2      LEU  20   0.055  -8.990  -2.602
  154   HD22  LEU  20          1HD2      LEU  20  -1.422  -8.585  -3.476
  155   HD23  LEU  20          2HD2      LEU  20  -0.985 -10.276  -3.217
  156    H    VAL  21           H        VAL  21   1.916  -8.349  -0.053
  157    HA   VAL  21           HA       VAL  21   0.676  -7.105   2.326
  158    HB   VAL  21           HB       VAL  21   3.579  -6.936   1.449
  159   HG11  VAL  21          1HG1      VAL  21   2.719  -4.757   2.246
  160   HG12  VAL  21          2HG1      VAL  21   3.937  -5.445   3.326
  161   HG13  VAL  21          3HG1      VAL  21   2.228  -5.533   3.754
  162   HG21  VAL  21          3HG2      VAL  21   2.294  -8.025   3.947
  163   HG22  VAL  21          1HG2      VAL  21   4.027  -7.935   3.630
  164   HG23  VAL  21          2HG2      VAL  21   3.003  -8.978   2.643
  165    H    VAL  22           H        VAL  22  -0.632  -5.557   1.574
  166    HA   VAL  22           HA       VAL  22   0.318  -3.898  -0.639
  167    HB   VAL  22           HB       VAL  22  -1.736  -4.557  -1.354
  168   HG11  VAL  22          1HG1      VAL  22  -3.678  -4.965   0.010
  169   HG12  VAL  22          2HG1      VAL  22  -2.807  -4.407   1.442
  170   HG13  VAL  22          3HG1      VAL  22  -2.285  -5.868   0.602
  171   HG21  VAL  22          3HG2      VAL  22  -3.396  -2.773  -1.014
  172   HG22  VAL  22          1HG2      VAL  22  -1.785  -2.137  -1.342
  173   HG23  VAL  22          2HG2      VAL  22  -2.414  -2.135   0.305
  174    H    VAL  23           H        VAL  23   1.518  -2.344   0.128
  175    HA   VAL  23           HA       VAL  23   0.502  -0.732   2.374
  176    HB   VAL  23           HB       VAL  23   3.281  -0.539   1.237
  177   HG11  VAL  23          1HG1      VAL  23   2.399   1.228   2.729
  178   HG12  VAL  23          2HG1      VAL  23   3.808   0.391   3.381
  179   HG13  VAL  23          3HG1      VAL  23   2.196   0.013   3.989
  180   HG21  VAL  23          3HG2      VAL  23   3.913  -2.045   3.194
  181   HG22  VAL  23          1HG2      VAL  23   3.181  -2.823   1.789
  182   HG23  VAL  23          2HG2      VAL  23   2.216  -2.517   3.230
  183    H    ALA  24           H        ALA  24   0.271   1.528   2.108
  184    HA   ALA  24           HA       ALA  24   0.672   2.572  -0.617
  185    HB1  ALA  24           1HB      ALA  24  -1.412   3.590  -0.705
  186    HB2  ALA  24           2HB      ALA  24  -1.671   3.409   1.024
  187    HB3  ALA  24           3HB      ALA  24  -1.750   1.998  -0.027
  188    H    PHE  25           H        PHE  25   1.691   4.321  -0.813
  189    HA   PHE  25           HA       PHE  25   2.783   5.704   1.411
  190    HB2  PHE  25           1HB      PHE  25   2.718   6.374  -1.531
  191    HB3  PHE  25           2HB      PHE  25   3.743   7.174  -0.339
  192    HD1  PHE  25           1HD      PHE  25   3.097   4.016  -2.122
  193    HD2  PHE  25           2HD      PHE  25   5.767   6.142   0.420
  194    HE1  PHE  25           1HE      PHE  25   4.818   2.304  -2.508
  195    HE2  PHE  25           2HE      PHE  25   7.497   4.431   0.028
  196    HZ   PHE  25           HZ       PHE  25   7.020   2.510  -1.432
  197    H    TYR  26           H        TYR  26   1.870   7.228   2.567
  198    HA   TYR  26           HA       TYR  26  -0.370   8.815   1.466
  199    HB2  TYR  26           1HB      TYR  26   0.105   7.651   4.201
  200    HB3  TYR  26           2HB      TYR  26  -0.907   9.069   4.002
  201    HD1  TYR  26           1HD      TYR  26  -0.946   6.415   1.469
  202    HD2  TYR  26           2HD      TYR  26  -2.773   7.953   4.986
  203    HE1  TYR  26           1HE      TYR  26  -2.880   4.944   1.110
  204    HE2  TYR  26           2HE      TYR  26  -4.707   6.488   4.637
  205    HH   TYR  26           HH       TYR  26  -5.775   5.318   2.573
  206    H    ALA  27           H        ALA  27  -0.680  10.825   2.856
  207    HA   ALA  27           HA       ALA  27   1.506  11.828   4.365
  208    HB1  ALA  27           1HB      ALA  27   2.416  12.227   2.115
  209    HB2  ALA  27           2HB      ALA  27   2.049  13.748   2.927
  210    HB3  ALA  27           3HB      ALA  27   0.965  13.130   1.681
  211    H    THR  28           H        THR  28   0.963  14.052   5.167
  212    HA   THR  28           HA       THR  28  -1.883  14.216   5.648
  213    HB   THR  28           HB       THR  28  -1.239  16.092   7.188
  214    HG1  THR  28           1HG      THR  28   1.320  15.667   7.480
  215   HG21  THR  28          3HG2      THR  28  -1.466  13.798   7.997
  216   HG22  THR  28          1HG2      THR  28  -0.161  14.630   8.840
  217   HG23  THR  28          2HG2      THR  28   0.212  13.470   7.566
  218    H    TRP  29           H        TRP  29   0.103  15.362   3.276
  219    HA   TRP  29           HA       TRP  29  -1.444  17.834   2.922
  220    HB2  TRP  29           1HB      TRP  29   0.476  18.656   1.580
  221    HB3  TRP  29           2HB      TRP  29   0.886  18.334   3.261
  222    HD1  TRP  29           HD       TRP  29   1.174  16.572  -0.165
  223    HE1  TRP  29           1HE      TRP  29   3.351  15.184  -0.180
  224    HE3  TRP  29           3HE      TRP  29   2.694  17.420   4.635
  225    HZ2  TRP  29           2HZ      TRP  29   5.432  14.547   1.618
  226    HZ3  TRP  29           3HZ      TRP  29   4.788  16.387   5.412
  227    HH2  TRP  29           HH       TRP  29   6.126  14.980   3.934
  228    H    CYS  30           H        CYS  30  -2.103  15.046   1.998
  229    HA   CYS  30           HA       CYS  30  -2.462  15.795  -0.813
  230    HB2  CYS  30           1HB      CYS  30  -2.273  13.355  -1.402
  231    HB3  CYS  30           2HB      CYS  30  -0.771  14.144  -0.926
  232    H    GLY  31           H        GLY  31  -4.441  15.782  -1.493
  233    HA2  GLY  31           1HA      GLY  31  -6.633  15.136   0.172
  234    HA3  GLY  31           2HA      GLY  31  -6.718  15.587  -1.518
  235    HA   PRO  32           HA       PRO  32  -7.385  11.443  -2.971
  236    HB2  PRO  32           1HB      PRO  32  -4.543  10.669  -3.368
  237    HB3  PRO  32           2HB      PRO  32  -5.899  10.588  -4.498
  238    HG2  PRO  32           1HG      PRO  32  -4.064  12.462  -4.782
  239    HG3  PRO  32           2HG      PRO  32  -5.780  12.857  -4.994
  240    HD2  PRO  32           1HD      PRO  32  -3.998  13.370  -2.634
  241    HD3  PRO  32           2HD      PRO  32  -5.192  14.445  -3.379
  242    H    CYS  33           H        CYS  33  -4.415  11.349  -1.043
  243    HA   CYS  33           HA       CYS  33  -4.592   8.763  -0.024
  244    HB2  CYS  33           1HB      CYS  33  -3.619  11.046   1.663
  245    HB3  CYS  33           2HB      CYS  33  -2.981   9.411   1.544
  246    H    LYS  34           H        LYS  34  -6.151  11.723   1.006
  247    HA   LYS  34           HA       LYS  34  -7.088  10.741   3.474
  248    HB2  LYS  34           1HB      LYS  34  -6.909  13.144   2.903
  249    HB3  LYS  34           2HB      LYS  34  -8.245  12.955   1.777
  250    HG2  LYS  34           1HG      LYS  34  -9.766  12.471   3.546
  251    HG3  LYS  34           2HG      LYS  34  -8.453  12.374   4.720
  252    HD2  LYS  34           1HD      LYS  34  -9.607  14.494   4.935
  253    HD3  LYS  34           2HD      LYS  34  -7.965  14.755   4.346
  254    HE2  LYS  34           1HE      LYS  34  -8.838  14.934   2.056
  255    HE3  LYS  34           2HE      LYS  34 -10.474  14.720   2.676
  256    HZ1  LYS  34           3HZ      LYS  34 -10.154  16.747   4.002
  257    HZ2  LYS  34           1HZ      LYS  34 -10.025  17.039   2.341
  258    HZ3  LYS  34           2HZ      LYS  34  -8.634  16.964   3.294
  259    H    MET  35           H        MET  35  -8.639  10.944   0.252
  260    HA   MET  35           HA       MET  35 -11.136   9.980   1.210
  261    HB2  MET  35           1HB      MET  35 -11.788   9.732  -1.115
  262    HB3  MET  35           2HB      MET  35 -11.034  11.290  -0.830
  263    HG2  MET  35           1HG      MET  35  -8.992  10.507  -1.864
  264    HG3  MET  35           2HG      MET  35  -9.694   8.900  -2.053
  265    HE1  MET  35           3HE      MET  35  -9.631  10.059  -5.760
  266    HE2  MET  35           1HE      MET  35  -9.201   8.793  -4.610
  267    HE3  MET  35           2HE      MET  35  -8.405  10.366  -4.531
  268    H    ILE  36           H        ILE  36  -8.472   8.288  -0.473
  269    HA   ILE  36           HA       ILE  36  -9.931   5.827  -0.401
  270    HB   ILE  36           HB       ILE  36  -8.457   5.149  -1.898
  271   HG12  ILE  36          1HG1      ILE  36  -7.296   4.374   0.341
  272   HG13  ILE  36          2HG1      ILE  36  -6.544   4.099  -1.212
  273   HG21  ILE  36          1HG2      ILE  36  -8.048   7.452  -2.457
  274   HG22  ILE  36          2HG2      ILE  36  -6.571   6.507  -2.644
  275   HG23  ILE  36          3HG2      ILE  36  -6.777   7.551  -1.238
  276   HD11  ILE  36          3HD1      ILE  36  -5.068   5.977  -0.863
  277   HD12  ILE  36          1HD1      ILE  36  -4.988   4.883   0.530
  278   HD13  ILE  36          2HD1      ILE  36  -5.914   6.394   0.633
  279    H    ALA  37           H        ALA  37  -8.141   7.586   1.863
  280    HA   ALA  37           HA       ALA  37  -7.027   5.566   3.413
  281    HB1  ALA  37           1HB      ALA  37  -6.882   7.163   5.186
  282    HB2  ALA  37           2HB      ALA  37  -8.111   8.176   4.426
  283    HB3  ALA  37           3HB      ALA  37  -6.536   7.959   3.641
  284    HA   PRO  38           HA       PRO  38 -11.122   5.034   5.838
  285    HB2  PRO  38           1HB      PRO  38 -13.400   6.046   4.737
  286    HB3  PRO  38           2HB      PRO  38 -12.467   6.876   5.988
  287    HG2  PRO  38           1HG      PRO  38 -12.462   7.293   3.030
  288    HG3  PRO  38           2HG      PRO  38 -12.437   8.497   4.333
  289    HD2  PRO  38           1HD      PRO  38 -10.209   7.799   2.989
  290    HD3  PRO  38           2HD      PRO  38 -10.179   8.230   4.708
  291    H    MET  39           H        MET  39 -11.151   5.289   2.297
  292    HA   MET  39           HA       MET  39 -12.948   3.122   1.901
  293    HB2  MET  39           1HB      MET  39 -10.809   4.181   0.056
  294    HB3  MET  39           2HB      MET  39 -12.058   3.038  -0.409
  295    HG2  MET  39           1HG      MET  39 -12.472   5.870   0.516
  296    HG3  MET  39           2HG      MET  39 -12.655   5.257  -1.125
  297    HE1  MET  39           3HE      MET  39 -15.815   2.988  -0.842
  298    HE2  MET  39           1HE      MET  39 -14.126   2.493  -0.727
  299    HE3  MET  39           2HE      MET  39 -14.614   3.691  -1.924
  300    H    ILE  40           H        ILE  40  -9.349   3.090   1.508
  301    HA   ILE  40           HA       ILE  40  -9.312   0.281   1.429
  302    HB   ILE  40           HB       ILE  40  -7.117   2.314   1.884
  303   HG12  ILE  40          1HG1      ILE  40  -7.823   0.425  -0.380
  304   HG13  ILE  40          2HG1      ILE  40  -8.217   2.139  -0.331
  305   HG21  ILE  40          1HG2      ILE  40  -6.578   0.228   3.082
  306   HG22  ILE  40          2HG2      ILE  40  -5.515   0.527   1.705
  307   HG23  ILE  40          3HG2      ILE  40  -6.805  -0.672   1.581
  308   HD11  ILE  40          3HD1      ILE  40  -5.506   0.880  -0.511
  309   HD12  ILE  40          1HD1      ILE  40  -5.775   2.593  -0.181
  310   HD13  ILE  40          2HD1      ILE  40  -6.331   1.892  -1.703
  311    H    GLU  41           H        GLU  41  -9.369   2.482   4.155
  312    HA   GLU  41           HA       GLU  41  -8.882   0.658   6.211
  313    HB2  GLU  41           1HB      GLU  41 -10.652   3.035   5.921
  314    HB3  GLU  41           2HB      GLU  41 -10.972   1.957   7.269
  315    HG2  GLU  41           1HG      GLU  41  -8.259   3.125   6.738
  316    HG3  GLU  41           2HG      GLU  41  -9.475   3.936   7.724
  317    H    LYS  42           H        LYS  42 -11.933   1.259   4.441
  318    HA   LYS  42           HA       LYS  42 -13.356  -0.849   5.625
  319    HB2  LYS  42           1HB      LYS  42 -14.604   0.770   4.408
  320    HB3  LYS  42           2HB      LYS  42 -13.626   0.550   2.968
  321    HG2  LYS  42           1HG      LYS  42 -15.898  -0.400   2.787
  322    HG3  LYS  42           2HG      LYS  42 -14.619  -1.589   2.545
  323    HD2  LYS  42           1HD      LYS  42 -14.935  -2.497   4.710
  324    HD3  LYS  42           2HD      LYS  42 -16.012  -1.175   5.183
  325    HE2  LYS  42           1HE      LYS  42 -17.572  -1.937   3.365
  326    HE3  LYS  42           2HE      LYS  42 -16.539  -3.352   3.166
  327    HZ1  LYS  42           3HZ      LYS  42 -16.955  -3.883   5.530
  328    HZ2  LYS  42           1HZ      LYS  42 -18.366  -3.897   4.591
  329    HZ3  LYS  42           2HZ      LYS  42 -18.041  -2.587   5.607
  330    H    PHE  43           H        PHE  43 -11.173  -0.752   2.891
  331    HA   PHE  43           HA       PHE  43 -11.663  -3.468   2.253
  332    HB2  PHE  43           1HB      PHE  43  -9.466  -1.643   1.324
  333    HB3  PHE  43           2HB      PHE  43  -9.716  -3.290   0.768
  334    HD1  PHE  43           2HD      PHE  43 -12.633  -1.304   1.514
  335    HD2  PHE  43           1HD      PHE  43  -9.903  -2.457  -1.539
  336    HE1  PHE  43           2HE      PHE  43 -14.220  -0.513  -0.201
  337    HE2  PHE  43           1HE      PHE  43 -11.482  -1.675  -3.256
  338    HZ   PHE  43           HZ       PHE  43 -13.641  -0.701  -2.589
  339    H    SER  44           H        SER  44  -9.769  -1.961   4.652
  340    HA   SER  44           HA       SER  44  -7.895  -4.105   4.929
  341    HB2  SER  44           1HB      SER  44  -7.161  -3.024   6.883
  342    HB3  SER  44           2HB      SER  44  -7.666  -1.699   5.852
  343    HG   SER  44           HG       SER  44  -9.735  -1.868   7.034
  344    H    GLU  45           H        GLU  45 -11.151  -3.494   5.590
  345    HA   GLU  45           HA       GLU  45 -11.424  -5.763   7.410
  346    HB2  GLU  45           1HB      GLU  45 -12.895  -3.778   7.621
  347    HB3  GLU  45           2HB      GLU  45 -13.522  -4.088   6.010
  348    HG2  GLU  45           1HG      GLU  45 -14.321  -6.305   6.845
  349    HG3  GLU  45           2HG      GLU  45 -13.871  -5.778   8.468
  350    H    GLN  46           H        GLN  46 -11.503  -5.006   4.052
  351    HA   GLN  46           HA       GLN  46 -13.024  -7.276   3.229
  352    HB2  GLN  46           1HB      GLN  46 -11.349  -5.436   1.554
  353    HB3  GLN  46           2HB      GLN  46 -12.537  -6.587   0.957
  354    HG2  GLN  46           1HG      GLN  46 -13.096  -4.188   2.687
  355    HG3  GLN  46           2HG      GLN  46 -13.435  -4.340   0.962
  356   HE21  GLN  46          1HE2      GLN  46 -14.387  -5.269   4.160
  357   HE22  GLN  46          2HE2      GLN  46 -15.916  -5.952   3.729
  358    H    TYR  47           H        TYR  47  -9.623  -6.630   3.537
  359    HA   TYR  47           HA       TYR  47  -9.252  -9.444   2.829
  360    HB2  TYR  47           1HB      TYR  47  -6.803  -8.873   2.357
  361    HB3  TYR  47           2HB      TYR  47  -8.019  -8.593   1.134
  362    HD1  TYR  47           1HD      TYR  47  -8.839  -6.295   0.773
  363    HD2  TYR  47           2HD      TYR  47  -5.365  -7.082   3.127
  364    HE1  TYR  47           1HE      TYR  47  -8.026  -3.998   0.357
  365    HE2  TYR  47           2HE      TYR  47  -4.577  -4.810   2.718
  366    HH   TYR  47           HH       TYR  47  -4.875  -3.046   0.986
  367    HA   PRO  48           HA       PRO  48  -7.750  -9.391   7.111
  368    HB2  PRO  48           1HB      PRO  48  -9.101 -11.577   7.910
  369    HB3  PRO  48           2HB      PRO  48  -9.845  -9.975   7.901
  370    HG2  PRO  48           1HG      PRO  48 -10.133 -12.210   5.941
  371    HG3  PRO  48           2HG      PRO  48 -11.366 -11.101   6.564
  372    HD2  PRO  48           1HD      PRO  48 -10.131 -10.834   4.121
  373    HD3  PRO  48           2HD      PRO  48 -10.863  -9.491   5.021
  374    H    GLN  49           H        GLN  49  -7.783 -11.469   4.402
  375    HA   GLN  49           HA       GLN  49  -5.936 -13.408   5.556
  376    HB2  GLN  49           1HB      GLN  49  -6.208 -14.651   3.521
  377    HB3  GLN  49           2HB      GLN  49  -7.793 -14.146   4.067
  378    HG2  GLN  49           1HG      GLN  49  -8.189 -13.186   2.123
  379    HG3  GLN  49           2HG      GLN  49  -6.778 -12.147   2.332
  380   HE21  GLN  49          1HE2      GLN  49  -4.773 -12.870   1.545
  381   HE22  GLN  49          2HE2      GLN  49  -4.677 -14.007   0.247
  382    H    ALA  50           H        ALA  50  -5.748 -10.429   4.171
  383    HA   ALA  50           HA       ALA  50  -3.017 -10.896   3.220
  384    HB1  ALA  50           1HB      ALA  50  -4.566 -10.540   1.305
  385    HB2  ALA  50           2HB      ALA  50  -3.330  -9.290   1.445
  386    HB3  ALA  50           3HB      ALA  50  -4.976  -8.963   1.977
  387    H    ASP  51           H        ASP  51  -1.784  -8.753   3.244
  388    HA   ASP  51           HA       ASP  51  -2.488  -7.523   5.791
  389    HB2  ASP  51           1HB      ASP  51   0.135  -8.037   4.462
  390    HB3  ASP  51           2HB      ASP  51   0.004  -6.758   5.668
  391    H    PHE  52           H        PHE  52  -3.292  -5.684   5.849
  392    HA   PHE  52           HA       PHE  52  -3.062  -3.809   3.635
  393    HB2  PHE  52           1HB      PHE  52  -4.862  -2.647   5.210
  394    HB3  PHE  52           2HB      PHE  52  -5.303  -3.977   4.149
  395    HD1  PHE  52           1HD      PHE  52  -5.620  -6.252   5.086
  396    HD2  PHE  52           2HD      PHE  52  -4.910  -2.880   7.553
  397    HE1  PHE  52           1HE      PHE  52  -6.431  -7.511   7.035
  398    HE2  PHE  52           2HE      PHE  52  -5.721  -4.119   9.507
  399    HZ   PHE  52           HZ       PHE  52  -6.478  -6.448   9.253
  400    H    TYR  53           H        TYR  53  -1.400  -2.312   3.828
  401    HA   TYR  53           HA       TYR  53  -1.177  -0.928   6.423
  402    HB2  TYR  53           1HB      TYR  53   1.230  -1.657   4.746
  403    HB3  TYR  53           2HB      TYR  53   1.228  -0.891   6.337
  404    HD1  TYR  53           2HD      TYR  53  -0.188  -2.398   8.124
  405    HD2  TYR  53           1HD      TYR  53   1.942  -3.842   4.752
  406    HE1  TYR  53           2HE      TYR  53   0.066  -4.578   9.233
  407    HE2  TYR  53           1HE      TYR  53   2.206  -6.027   5.845
  408    HH   TYR  53           HH       TYR  53   0.440  -6.987   8.486
  409    H    LYS  54           H        LYS  54  -0.438   1.263   6.297
  410    HA   LYS  54           HA       LYS  54  -0.087   2.354   3.571
  411    HB2  LYS  54           1HB      LYS  54  -1.431   3.892   5.803
  412    HB3  LYS  54           2HB      LYS  54  -1.278   4.374   4.126
  413    HG2  LYS  54           1HG      LYS  54  -2.996   2.134   5.169
  414    HG3  LYS  54           2HG      LYS  54  -3.558   3.720   4.679
  415    HD2  LYS  54           1HD      LYS  54  -3.741   3.056   2.541
  416    HD3  LYS  54           2HD      LYS  54  -2.042   2.507   2.556
  417    HE2  LYS  54           1HE      LYS  54  -2.852   0.426   3.724
  418    HE3  LYS  54           2HE      LYS  54  -4.493   0.967   3.378
  419    HZ1  LYS  54           3HZ      LYS  54  -3.807  -0.538   1.681
  420    HZ2  LYS  54           1HZ      LYS  54  -2.370   0.314   1.412
  421    HZ3  LYS  54           2HZ      LYS  54  -3.855   1.008   0.997
  422    H    LEU  55           H        LEU  55   1.595   3.912   3.359
  423    HA   LEU  55           HA       LEU  55   3.312   4.165   5.759
  424    HB2  LEU  55           1HB      LEU  55   3.999   4.934   2.918
  425    HB3  LEU  55           2HB      LEU  55   5.087   4.888   4.276
  426    HG   LEU  55           HG       LEU  55   3.761   2.484   3.048
  427   HD11  LEU  55          1HD1      LEU  55   5.446   3.442   1.586
  428   HD12  LEU  55          2HD1      LEU  55   6.008   1.921   2.280
  429   HD13  LEU  55          3HD1      LEU  55   6.604   3.454   2.915
  430   HD21  LEU  55          3HD2      LEU  55   4.124   2.124   5.386
  431   HD22  LEU  55          1HD2      LEU  55   5.761   2.766   5.270
  432   HD23  LEU  55          2HD2      LEU  55   5.356   1.246   4.480
  433    H    ASP  56           H        ASP  56   3.809   6.111   6.685
  434    HA   ASP  56           HA       ASP  56   2.629   8.568   5.643
  435    HB2  ASP  56           1HB      ASP  56   4.364   7.913   8.036
  436    HB3  ASP  56           2HB      ASP  56   3.992   9.566   7.573
  437    H    VAL  57           H        VAL  57   3.616   9.217   3.807
  438    HA   VAL  57           HA       VAL  57   6.153   8.436   2.990
  439    HB   VAL  57           HB       VAL  57   4.032   9.524   1.777
  440   HG11  VAL  57          1HG1      VAL  57   4.463  11.778   2.641
  441   HG12  VAL  57          2HG1      VAL  57   4.534  11.714   0.878
  442   HG13  VAL  57          3HG1      VAL  57   6.023  11.782   1.820
  443   HG21  VAL  57          3HG2      VAL  57   5.447   9.701  -0.238
  444   HG22  VAL  57          1HG2      VAL  57   5.682   8.216   0.682
  445   HG23  VAL  57          2HG2      VAL  57   6.868   9.517   0.793
  446    H    ASP  58           H        ASP  58   5.367  10.878   5.243
  447    HA   ASP  58           HA       ASP  58   7.494  12.687   4.610
  448    HB2  ASP  58           1HB      ASP  58   6.957  13.797   6.691
  449    HB3  ASP  58           2HB      ASP  58   5.463  13.372   5.866
  450    H    GLU  59           H        GLU  59   7.079   9.942   6.756
  451    HA   GLU  59           HA       GLU  59   9.920  10.108   7.479
  452    HB2  GLU  59           1HB      GLU  59   7.641   8.503   8.634
  453    HB3  GLU  59           2HB      GLU  59   9.321   8.261   9.098
  454    HG2  GLU  59           1HG      GLU  59   7.746  10.805   9.414
  455    HG3  GLU  59           2HG      GLU  59   8.167   9.671  10.697
  456    H    LEU  60           H        LEU  60   7.756   8.522   5.415
  457    HA   LEU  60           HA       LEU  60   9.725   6.407   4.903
  458    HB2  LEU  60           1HB      LEU  60   6.755   6.495   4.321
  459    HB3  LEU  60           2HB      LEU  60   7.837   5.334   3.571
  460    HG   LEU  60           HG       LEU  60   6.805   4.237   5.387
  461   HD11  LEU  60          1HD1      LEU  60   9.541   5.049   6.332
  462   HD12  LEU  60          2HD1      LEU  60   9.223   3.839   5.087
  463   HD13  LEU  60          3HD1      LEU  60   8.668   3.573   6.742
  464   HD21  LEU  60          3HD2      LEU  60   7.665   6.526   7.143
  465   HD22  LEU  60          1HD2      LEU  60   6.872   5.048   7.689
  466   HD23  LEU  60          2HD2      LEU  60   6.015   6.170   6.631
  467    H    GLY  61           H        GLY  61  10.346   8.900   4.003
  468    HA2  GLY  61           1HA      GLY  61   9.611   9.191   1.233
  469    HA3  GLY  61           2HA      GLY  61  10.850  10.099   2.090
  470    H    ASP  62           H        ASP  62  12.252   7.755   3.031
  471    HA   ASP  62           HA       ASP  62  14.012   7.368   0.852
  472    HB2  ASP  62           1HB      ASP  62  13.784   5.709   3.370
  473    HB3  ASP  62           2HB      ASP  62  15.162   5.754   2.279
  474    H    VAL  63           H        VAL  63  11.578   5.259   2.349
  475    HA   VAL  63           HA       VAL  63  12.009   3.094   0.579
  476    HB   VAL  63           HB       VAL  63  10.885   2.598   2.637
  477   HG11  VAL  63          1HG1      VAL  63   8.679   4.431   1.793
  478   HG12  VAL  63          2HG1      VAL  63   9.893   4.779   3.025
  479   HG13  VAL  63          3HG1      VAL  63   8.754   3.453   3.261
  480   HG21  VAL  63          3HG2      VAL  63   8.932   2.394   0.363
  481   HG22  VAL  63          1HG2      VAL  63   8.854   1.475   1.867
  482   HG23  VAL  63          2HG2      VAL  63  10.201   1.230   0.754
  483    H    ALA  64           H        ALA  64   9.839   5.870   0.501
  484    HA   ALA  64           HA       ALA  64   8.379   5.246  -1.785
  485    HB1  ALA  64           1HB      ALA  64   8.016   7.641  -2.026
  486    HB2  ALA  64           2HB      ALA  64   9.345   7.969  -0.913
  487    HB3  ALA  64           3HB      ALA  64   7.887   7.160  -0.333
  488    H    GLN  65           H        GLN  65  11.443   7.013  -1.493
  489    HA   GLN  65           HA       GLN  65  11.886   7.343  -4.247
  490    HB2  GLN  65           1HB      GLN  65  13.799   7.276  -1.910
  491    HB3  GLN  65           2HB      GLN  65  14.275   7.718  -3.547
  492    HG2  GLN  65           1HG      GLN  65  12.837   9.625  -3.523
  493    HG3  GLN  65           2HG      GLN  65  12.128   9.132  -1.985
  494   HE21  GLN  65          1HE2      GLN  65  13.274   9.434  -0.102
  495   HE22  GLN  65          2HE2      GLN  65  14.676  10.444  -0.012
  496    H    LYS  66           H        LYS  66  12.562   4.683  -2.080
  497    HA   LYS  66           HA       LYS  66  14.326   3.330  -3.825
  498    HB2  LYS  66           1HB      LYS  66  14.763   2.197  -1.968
  499    HB3  LYS  66           2HB      LYS  66  13.461   3.059  -1.161
  500    HG2  LYS  66           1HG      LYS  66  11.901   1.354  -2.024
  501    HG3  LYS  66           2HG      LYS  66  13.287   0.439  -2.612
  502    HD2  LYS  66           1HD      LYS  66  14.178   0.324  -0.330
  503    HD3  LYS  66           2HD      LYS  66  12.780   1.220   0.262
  504    HE2  LYS  66           1HE      LYS  66  12.473  -1.137   0.677
  505    HE3  LYS  66           2HE      LYS  66  11.316  -0.590  -0.535
  506    HZ1  LYS  66           3HZ      LYS  66  12.335  -2.719  -1.114
  507    HZ2  LYS  66           1HZ      LYS  66  13.861  -1.997  -1.130
  508    HZ3  LYS  66           2HZ      LYS  66  12.694  -1.531  -2.259
  509    H    ASN  67           H        ASN  67  10.880   3.450  -3.482
  510    HA   ASN  67           HA       ASN  67  10.562   1.208  -5.338
  511    HB2  ASN  67           1HB      ASN  67   8.599   2.779  -3.679
  512    HB3  ASN  67           2HB      ASN  67   8.077   1.682  -4.950
  513   HD21  ASN  67          1HD2      ASN  67   9.499   1.965  -1.809
  514   HD22  ASN  67          2HD2      ASN  67   9.376   0.292  -1.389
  515    H    GLU  68           H        GLU  68  11.329   4.283  -5.659
  516    HA   GLU  68           HA       GLU  68  11.232   5.845  -7.292
  517    HB2  GLU  68           1HB      GLU  68   9.960   3.652  -8.937
  518    HB3  GLU  68           2HB      GLU  68  10.645   5.144  -9.563
  519    HG2  GLU  68           1HG      GLU  68  12.852   4.464  -8.749
  520    HG3  GLU  68           2HG      GLU  68  12.159   2.959  -8.149
  521    H    VAL  69           H        VAL  69   9.265   5.979  -5.421
  522    HA   VAL  69           HA       VAL  69   6.704   6.328  -6.750
  523    HB   VAL  69           HB       VAL  69   7.530   6.741  -3.872
  524   HG11  VAL  69          1HG1      VAL  69   4.765   6.772  -5.070
  525   HG12  VAL  69          2HG1      VAL  69   5.643   8.181  -4.477
  526   HG13  VAL  69          3HG1      VAL  69   5.162   6.905  -3.357
  527   HG21  VAL  69          3HG2      VAL  69   7.610   4.420  -4.572
  528   HG22  VAL  69          1HG2      VAL  69   5.969   4.535  -5.204
  529   HG23  VAL  69          2HG2      VAL  69   6.258   4.684  -3.470
  530    H    SER  70           H        SER  70   6.133   8.177  -7.669
  531    HA   SER  70           HA       SER  70   7.289  10.672  -6.623
  532    HB2  SER  70           1HB      SER  70   7.051  11.531  -9.003
  533    HB3  SER  70           2HB      SER  70   8.302  10.314  -8.749
  534    HG   SER  70           HG       SER  70   7.299   9.071 -10.096
  535    H    ALA  71           H        ALA  71   4.507   8.910  -7.043
  536    HA   ALA  71           HA       ALA  71   2.841  11.340  -7.016
  537    HB1  ALA  71           1HB      ALA  71   2.141   8.672  -8.237
  538    HB2  ALA  71           2HB      ALA  71   2.547  10.142  -9.122
  539    HB3  ALA  71           3HB      ALA  71   1.080  10.076  -8.147
  540    H    MET  72           H        MET  72   0.814  11.127  -5.841
  541    HA   MET  72           HA       MET  72   0.855   8.994  -3.834
  542    HB2  MET  72           1HB      MET  72  -0.041  10.783  -2.208
  543    HB3  MET  72           2HB      MET  72   1.680  10.760  -2.557
  544    HG2  MET  72           1HG      MET  72   1.090  13.012  -2.598
  545    HG3  MET  72           2HG      MET  72   1.198  12.550  -4.293
  546    HE1  MET  72           3HE      MET  72  -0.141  14.645  -5.132
  547    HE2  MET  72           1HE      MET  72  -0.166  15.226  -3.467
  548    HE3  MET  72           2HE      MET  72  -1.656  15.188  -4.410
  549    HA   PRO  73           HA       PRO  73  -0.160   7.999  -2.587
  550    HB2  PRO  73           1HB      PRO  73  -2.060   5.892  -2.597
  551    HB3  PRO  73           2HB      PRO  73  -1.834   7.112  -1.343
  552    HG2  PRO  73           1HG      PRO  73  -4.083   6.856  -2.967
  553    HG3  PRO  73           2HG      PRO  73  -3.649   8.292  -2.025
  554    HD2  PRO  73           1HD      PRO  73  -3.223   7.726  -4.930
  555    HD3  PRO  73           2HD      PRO  73  -3.646   9.251  -4.129
  556    H    THR  74           H        THR  74   0.690   5.717  -2.756
  557    HA   THR  74           HA       THR  74   0.483   4.661  -5.473
  558    HB   THR  74           HB       THR  74   3.047   4.904  -3.885
  559    HG1  THR  74           1HG      THR  74   2.309   6.816  -5.042
  560   HG21  THR  74          3HG2      THR  74   4.128   3.886  -5.839
  561   HG22  THR  74          1HG2      THR  74   2.548   3.643  -6.583
  562   HG23  THR  74          2HG2      THR  74   2.966   2.786  -5.101
  563    H    LEU  75           H        LEU  75  -0.314   2.698  -5.408
  564    HA   LEU  75           HA       LEU  75  -0.220   1.221  -2.888
  565    HB2  LEU  75           1HB      LEU  75  -2.116   1.370  -5.165
  566    HB3  LEU  75           2HB      LEU  75  -1.966  -0.155  -4.321
  567    HG   LEU  75           HG       LEU  75  -3.850   1.223  -3.500
  568   HD11  LEU  75          1HD1      LEU  75  -1.621   0.751  -1.532
  569   HD12  LEU  75          2HD1      LEU  75  -2.873  -0.392  -2.010
  570   HD13  LEU  75          3HD1      LEU  75  -3.304   1.056  -1.102
  571   HD21  LEU  75          3HD2      LEU  75  -3.340   3.217  -2.125
  572   HD22  LEU  75          1HD2      LEU  75  -2.962   3.436  -3.834
  573   HD23  LEU  75          2HD2      LEU  75  -1.667   3.133  -2.678
  574    H    LEU  76           H        LEU  76   1.396  -0.164  -2.813
  575    HA   LEU  76           HA       LEU  76   1.830  -1.849  -5.185
  576    HB2  LEU  76           1HB      LEU  76   3.970  -1.150  -3.170
  577    HB3  LEU  76           2HB      LEU  76   4.178  -1.931  -4.723
  578    HG   LEU  76           HG       LEU  76   3.368   0.950  -4.340
  579   HD11  LEU  76          1HD1      LEU  76   6.020  -0.239  -5.140
  580   HD12  LEU  76          2HD1      LEU  76   5.660   0.539  -3.599
  581   HD13  LEU  76          3HD1      LEU  76   5.626   1.479  -5.091
  582   HD21  LEU  76          3HD2      LEU  76   4.143  -0.597  -6.803
  583   HD22  LEU  76          1HD2      LEU  76   3.827   1.137  -6.732
  584   HD23  LEU  76          2HD2      LEU  76   2.526  -0.011  -6.408
  585    H    LEU  77           H        LEU  77   1.005  -3.773  -4.720
  586    HA   LEU  77           HA       LEU  77   1.378  -4.753  -1.992
  587    HB2  LEU  77           1HB      LEU  77   0.093  -6.701  -3.562
  588    HB3  LEU  77           2HB      LEU  77  -0.579  -5.728  -2.273
  589    HG   LEU  77           HG       LEU  77  -0.521  -4.887  -5.176
  590   HD11  LEU  77          1HD1      LEU  77  -2.658  -6.159  -3.463
  591   HD12  LEU  77          2HD1      LEU  77  -1.890  -6.850  -4.903
  592   HD13  LEU  77          3HD1      LEU  77  -2.946  -5.446  -5.052
  593   HD21  LEU  77          3HD2      LEU  77  -0.679  -3.077  -3.404
  594   HD22  LEU  77          1HD2      LEU  77  -2.223  -3.793  -2.942
  595   HD23  LEU  77          2HD2      LEU  77  -2.004  -3.145  -4.567
  596    H    PHE  78           H        PHE  78   2.848  -6.170  -1.477
  597    HA   PHE  78           HA       PHE  78   4.436  -7.264  -3.670
  598    HB2  PHE  78           1HB      PHE  78   5.144  -6.374  -0.908
  599    HB3  PHE  78           2HB      PHE  78   6.165  -7.537  -1.737
  600    HD1  PHE  78           2HD      PHE  78   4.695  -4.141  -2.068
  601    HD2  PHE  78           1HD      PHE  78   7.793  -6.815  -3.229
  602    HE1  PHE  78           2HE      PHE  78   5.862  -2.294  -3.200
  603    HE2  PHE  78           1HE      PHE  78   8.967  -4.973  -4.361
  604    HZ   PHE  78           HZ       PHE  78   7.999  -2.709  -4.347
  605    H    LYS  79           H        LYS  79   5.452  -9.326  -3.360
  606    HA   LYS  79           HA       LYS  79   4.118 -11.124  -1.481
  607    HB2  LYS  79           1HB      LYS  79   2.829 -11.204  -3.515
  608    HB3  LYS  79           2HB      LYS  79   4.275 -11.404  -4.484
  609    HG2  LYS  79           1HG      LYS  79   4.594 -13.618  -3.468
  610    HG3  LYS  79           2HG      LYS  79   3.121 -13.385  -2.523
  611    HD2  LYS  79           1HD      LYS  79   1.841 -13.159  -4.613
  612    HD3  LYS  79           2HD      LYS  79   3.317 -13.449  -5.534
  613    HE2  LYS  79           1HE      LYS  79   1.997 -15.478  -5.384
  614    HE3  LYS  79           2HE      LYS  79   3.513 -15.664  -4.504
  615    HZ1  LYS  79           3HZ      LYS  79   1.587 -16.546  -3.296
  616    HZ2  LYS  79           1HZ      LYS  79   0.903 -15.002  -3.256
  617    HZ3  LYS  79           2HZ      LYS  79   2.357 -15.309  -2.444
  618    H    ASN  80           H        ASN  80   5.677 -12.175  -0.435
  619    HA   ASN  80           HA       ASN  80   7.827 -12.701   0.183
  620    HB2  ASN  80           1HB      ASN  80   8.799 -14.546  -1.219
  621    HB3  ASN  80           2HB      ASN  80   7.141 -14.802  -0.709
  622   HD21  ASN  80          1HD2      ASN  80   5.524 -14.851  -2.204
  623   HD22  ASN  80          2HD2      ASN  80   5.804 -14.864  -3.912
  624    H    GLY  81           H        GLY  81   7.942 -10.214  -0.927
  625    HA2  GLY  81           1HA      GLY  81   9.641  -8.725  -1.342
  626    HA3  GLY  81           2HA      GLY  81  10.748 -10.082  -1.421
  627    H    LYS  82           H        LYS  82   8.273 -10.652  -3.602
  628    HA   LYS  82           HA       LYS  82  10.012  -9.679  -5.767
  629    HB2  LYS  82           1HB      LYS  82   8.270 -12.131  -5.574
  630    HB3  LYS  82           2HB      LYS  82   9.021 -11.590  -7.060
  631    HG2  LYS  82           1HG      LYS  82  11.230 -11.832  -6.034
  632    HG3  LYS  82           2HG      LYS  82  10.461 -12.395  -4.548
  633    HD2  LYS  82           1HD      LYS  82   9.528 -14.304  -5.744
  634    HD3  LYS  82           2HD      LYS  82  10.264 -13.734  -7.243
  635    HE2  LYS  82           1HE      LYS  82  12.486 -13.954  -6.209
  636    HE3  LYS  82           2HE      LYS  82  11.729 -14.573  -4.744
  637    HZ1  LYS  82           3HZ      LYS  82  10.852 -16.429  -6.058
  638    HZ2  LYS  82           1HZ      LYS  82  12.541 -16.377  -6.086
  639    HZ3  LYS  82           2HZ      LYS  82  11.659 -15.846  -7.426
  640    H    GLU  83           H        GLU  83   7.455  -8.749  -4.267
  641    HA   GLU  83           HA       GLU  83   5.737  -7.378  -4.716
  642    HB2  GLU  83           1HB      GLU  83   7.446  -6.496  -6.427
  643    HB3  GLU  83           2HB      GLU  83   6.507  -7.376  -7.620
  644    HG2  GLU  83           1HG      GLU  83   4.544  -6.051  -7.088
  645    HG3  GLU  83           2HG      GLU  83   5.443  -5.200  -5.833
  646    H    VAL  84           H        VAL  84   3.666  -7.245  -6.175
  647    HA   VAL  84           HA       VAL  84   3.089  -9.759  -7.506
  648    HB   VAL  84           HB       VAL  84   2.322  -9.700  -5.007
  649   HG11  VAL  84          1HG1      VAL  84  -0.064  -8.992  -4.827
  650   HG12  VAL  84          2HG1      VAL  84   0.134  -8.164  -6.372
  651   HG13  VAL  84          3HG1      VAL  84   1.097  -7.671  -4.980
  652   HG21  VAL  84          3HG2      VAL  84   1.902 -11.535  -6.489
  653   HG22  VAL  84          1HG2      VAL  84   0.578 -10.656  -7.255
  654   HG23  VAL  84          2HG2      VAL  84   0.439 -11.171  -5.571
  655    H    ALA  85           H        ALA  85   2.210  -6.454  -6.757
  656    HA   ALA  85           HA       ALA  85   1.259  -6.028  -9.458
  657    HB1  ALA  85           1HB      ALA  85  -0.613  -5.586  -7.138
  658    HB2  ALA  85           2HB      ALA  85  -0.785  -6.839  -8.370
  659    HB3  ALA  85           3HB      ALA  85  -0.914  -5.134  -8.817
  660    H    LYS  86           H        LYS  86   0.677  -3.734  -9.796
  661    HA   LYS  86           HA       LYS  86   1.764  -1.923  -7.826
  662    HB2  LYS  86           1HB      LYS  86   3.739  -2.564  -9.061
  663    HB3  LYS  86           2HB      LYS  86   2.933  -2.255 -10.589
  664    HG2  LYS  86           1HG      LYS  86   2.959   0.087 -10.228
  665    HG3  LYS  86           2HG      LYS  86   3.481  -0.115  -8.555
  666    HD2  LYS  86           1HD      LYS  86   5.564  -1.190  -9.420
  667    HD3  LYS  86           2HD      LYS  86   5.048  -0.752 -11.049
  668    HE2  LYS  86           1HE      LYS  86   5.055   1.605 -10.417
  669    HE3  LYS  86           2HE      LYS  86   5.554   1.172  -8.783
  670    HZ1  LYS  86           3HZ      LYS  86   7.439   1.868 -10.109
  671    HZ2  LYS  86           1HZ      LYS  86   7.109   0.678 -11.261
  672    HZ3  LYS  86           2HZ      LYS  86   7.590   0.232  -9.704
  673    H    VAL  87           H        VAL  87   0.268  -0.400  -7.632
  674    HA   VAL  87           HA       VAL  87  -0.910   0.711 -10.105
  675    HB   VAL  87           HB       VAL  87  -2.212   0.778  -7.373
  676   HG11  VAL  87          1HG1      VAL  87  -4.210   1.442  -8.662
  677   HG12  VAL  87          2HG1      VAL  87  -3.233   1.451 -10.130
  678   HG13  VAL  87          3HG1      VAL  87  -2.877   2.591  -8.828
  679   HG21  VAL  87          3HG2      VAL  87  -2.074  -1.547  -8.216
  680   HG22  VAL  87          1HG2      VAL  87  -2.932  -1.041  -9.672
  681   HG23  VAL  87          2HG2      VAL  87  -3.733  -0.952  -8.097
  682    H    VAL  88           H        VAL  88  -0.913   2.917 -10.314
  683    HA   VAL  88           HA       VAL  88   0.519   4.391  -8.230
  684    HB   VAL  88           HB       VAL  88   1.312   5.657 -10.492
  685   HG11  VAL  88          1HG1      VAL  88   2.626   4.942  -8.503
  686   HG12  VAL  88          2HG1      VAL  88   3.473   4.714 -10.033
  687   HG13  VAL  88          3HG1      VAL  88   2.741   3.332  -9.215
  688   HG21  VAL  88          3HG2      VAL  88   2.179   3.805 -11.974
  689   HG22  VAL  88          1HG2      VAL  88   0.436   4.074 -12.037
  690   HG23  VAL  88          2HG2      VAL  88   1.082   2.717 -11.113
  691    H    GLY  89           H        GLY  89  -1.371   5.274  -7.496
  692    HA2  GLY  89           1HA      GLY  89  -2.008   7.789  -8.111
  693    HA3  GLY  89           2HA      GLY  89  -2.989   6.903  -9.274
  694    H    ALA  90           H        ALA  90  -4.566   8.239  -7.853
  695    HA   ALA  90           HA       ALA  90  -5.249   7.140  -5.308
  696    HB1  ALA  90           1HB      ALA  90  -7.170   8.584  -5.405
  697    HB2  ALA  90           2HB      ALA  90  -6.966   8.808  -7.141
  698    HB3  ALA  90           3HB      ALA  90  -5.772   9.469  -6.022
  699    H    ASN  91           H        ASN  91  -5.589   4.942  -5.462
  700    HA   ASN  91           HA       ASN  91  -7.700   4.074  -7.322
  701    HB2  ASN  91           1HB      ASN  91  -6.558   1.898  -7.449
  702    HB3  ASN  91           2HB      ASN  91  -5.529   3.209  -8.012
  703   HD21  ASN  91          1HD2      ASN  91  -5.016   0.479  -6.887
  704   HD22  ASN  91          2HD2      ASN  91  -3.883   0.738  -5.611
  705    HA   PRO  92           HA       PRO  92  -9.114   2.731  -3.069
  706    HB2  PRO  92           1HB      PRO  92 -11.662   3.952  -3.851
  707    HB3  PRO  92           2HB      PRO  92 -10.715   4.199  -2.384
  708    HG2  PRO  92           1HG      PRO  92 -10.971   6.096  -4.298
  709    HG3  PRO  92           2HG      PRO  92  -9.525   5.939  -3.286
  710    HD2  PRO  92           1HD      PRO  92  -9.971   5.065  -6.115
  711    HD3  PRO  92           2HD      PRO  92  -8.522   5.772  -5.369
  712    H    ALA  93           H        ALA  93 -10.594   2.875  -6.273
  713    HA   ALA  93           HA       ALA  93 -12.055   0.397  -5.827
  714    HB1  ALA  93           1HB      ALA  93 -13.130   2.223  -7.068
  715    HB2  ALA  93           2HB      ALA  93 -12.992   0.754  -8.034
  716    HB3  ALA  93           3HB      ALA  93 -11.885   2.098  -8.311
  717    H    ALA  94           H        ALA  94  -9.383   1.604  -7.798
  718    HA   ALA  94           HA       ALA  94  -8.995  -0.851  -9.209
  719    HB1  ALA  94           1HB      ALA  94  -6.831   0.245  -9.930
  720    HB2  ALA  94           2HB      ALA  94  -7.354   1.656  -9.011
  721    HB3  ALA  94           3HB      ALA  94  -8.323   1.078 -10.360
  722    H    ILE  95           H        ILE  95  -7.949   0.300  -6.108
  723    HA   ILE  95           HA       ILE  95  -5.727  -1.340  -5.721
  724    HB   ILE  95           HB       ILE  95  -6.681   0.233  -3.967
  725   HG12  ILE  95          1HG1      ILE  95  -5.731  -0.973  -2.154
  726   HG13  ILE  95          2HG1      ILE  95  -6.208  -2.532  -2.832
  727   HG21  ILE  95          1HG2      ILE  95  -8.324  -0.602  -2.408
  728   HG22  ILE  95          2HG2      ILE  95  -8.457  -2.111  -3.323
  729   HG23  ILE  95          3HG2      ILE  95  -8.997  -0.584  -4.040
  730   HD11  ILE  95          3HD1      ILE  95  -4.531  -2.345  -4.539
  731   HD12  ILE  95          1HD1      ILE  95  -3.786  -2.070  -2.967
  732   HD13  ILE  95          2HD1      ILE  95  -4.131  -0.705  -4.029
  733    H    LYS  96           H        LYS  96  -9.146  -2.005  -5.726
  734    HA   LYS  96           HA       LYS  96  -9.047  -4.609  -4.734
  735    HB2  LYS  96           1HB      LYS  96 -11.062  -3.064  -5.023
  736    HB3  LYS  96           2HB      LYS  96 -11.089  -3.606  -6.697
  737    HG2  LYS  96           1HG      LYS  96 -12.636  -4.923  -5.458
  738    HG3  LYS  96           2HG      LYS  96 -11.244  -5.921  -5.880
  739    HD2  LYS  96           1HD      LYS  96 -10.303  -5.578  -3.643
  740    HD3  LYS  96           2HD      LYS  96 -11.704  -4.585  -3.218
  741    HE2  LYS  96           1HE      LYS  96 -11.754  -7.511  -3.954
  742    HE3  LYS  96           2HE      LYS  96 -11.967  -6.838  -2.340
  743    HZ1  LYS  96           3HZ      LYS  96 -14.087  -7.392  -3.317
  744    HZ2  LYS  96           1HZ      LYS  96 -13.775  -6.415  -4.660
  745    HZ3  LYS  96           2HZ      LYS  96 -13.972  -5.720  -3.131
  746    H    GLN  97           H        GLN  97  -8.674  -3.291  -7.960
  747    HA   GLN  97           HA       GLN  97  -8.604  -5.607  -9.483
  748    HB2  GLN  97           1HB      GLN  97  -8.450  -3.404 -10.495
  749    HB3  GLN  97           2HB      GLN  97  -6.930  -3.090  -9.682
  750    HG2  GLN  97           1HG      GLN  97  -7.068  -5.420 -11.524
  751    HG3  GLN  97           2HG      GLN  97  -7.053  -3.807 -12.226
  752   HE21  GLN  97          1HE2      GLN  97  -5.204  -6.249 -10.631
  753   HE22  GLN  97          2HE2      GLN  97  -3.669  -5.444 -10.697
  754    H    ALA  98           H        ALA  98  -5.858  -3.987  -7.888
  755    HA   ALA  98           HA       ALA  98  -4.087  -6.175  -8.368
  756    HB1  ALA  98           1HB      ALA  98  -3.824  -3.813  -6.492
  757    HB2  ALA  98           2HB      ALA  98  -3.216  -3.902  -8.143
  758    HB3  ALA  98           3HB      ALA  98  -2.511  -4.927  -6.889
  759    H    ILE  99           H        ILE  99  -6.147  -5.242  -5.814
  760    HA   ILE  99           HA       ILE  99  -4.847  -6.787  -3.816
  761    HB   ILE  99           HB       ILE  99  -6.603  -4.660  -3.809
  762   HG12  ILE  99          1HG1      ILE  99  -4.764  -5.155  -2.270
  763   HG13  ILE  99          2HG1      ILE  99  -6.241  -4.730  -1.399
  764   HG21  ILE  99          1HG2      ILE  99  -8.542  -5.128  -2.664
  765   HG22  ILE  99          2HG2      ILE  99  -8.011  -6.762  -2.242
  766   HG23  ILE  99          3HG2      ILE  99  -8.467  -6.388  -3.905
  767   HD11  ILE  99          3HD1      ILE  99  -5.843  -7.590  -1.995
  768   HD12  ILE  99          1HD1      ILE  99  -6.482  -6.810  -0.546
  769   HD13  ILE  99          2HD1      ILE  99  -4.735  -6.871  -0.808
  770    H    ALA 100           H        ALA 100  -7.723  -7.251  -5.768
  771    HA   ALA 100           HA       ALA 100  -8.392  -9.632  -4.265
  772    HB1  ALA 100           1HB      ALA 100 -10.403  -9.740  -5.627
  773    HB2  ALA 100           2HB      ALA 100  -9.792  -8.454  -6.667
  774    HB3  ALA 100           3HB      ALA 100 -10.187  -8.113  -4.983
  775    H    ALA 101           H        ALA 101  -7.214  -8.731  -7.461
  776    HA   ALA 101           HA       ALA 101  -7.405 -11.351  -8.552
  777    HB1  ALA 101           1HB      ALA 101  -6.116 -10.467 -10.418
  778    HB2  ALA 101           2HB      ALA 101  -5.749  -9.014  -9.488
  779    HB3  ALA 101           3HB      ALA 101  -7.412  -9.360  -9.965
  780    H    ASN 102           H        ASN 102  -4.825  -9.541  -6.927
  781    HA   ASN 102           HA       ASN 102  -2.949 -11.680  -7.573
  782    HB2  ASN 102           1HB      ASN 102  -2.555  -9.094  -6.089
  783    HB3  ASN 102           2HB      ASN 102  -1.278 -10.275  -6.362
  784   HD21  ASN 102          1HD2      ASN 102  -3.179  -7.791  -7.691
  785   HD22  ASN 102          2HD2      ASN 102  -2.437  -7.738  -9.258
  786    H    ALA 103           H        ALA 103  -4.108 -10.204  -4.528
  787    HA   ALA 103           HA       ALA 103  -2.900 -11.800  -2.678
  788    HB1  ALA 103           1HB      ALA 103  -4.625 -11.280  -1.145
  789    HB2  ALA 103           2HB      ALA 103  -5.810 -11.083  -2.433
  790    HB3  ALA 103           3HB      ALA 103  -4.518  -9.903  -2.242
  Start of MODEL    3
    1    H1   MET   1           1H       MET   1  -9.323  -2.320  10.219
    2    H2   MET   1           2H       MET   1  -8.024  -3.378   9.989
    3    H3   MET   1           3H       MET   1  -8.582  -2.433   8.701
    4    HA   MET   1           HA       MET   1  -7.898  -0.428   9.812
    5    HB2  MET   1           1HB      MET   1  -6.871  -2.356  11.906
    6    HB3  MET   1           2HB      MET   1  -6.431  -0.657  11.828
    7    HG2  MET   1           1HG      MET   1  -8.751  -0.024  12.181
    8    HG3  MET   1           2HG      MET   1  -9.216  -1.723  12.219
    9    HE1  MET   1           3HE      MET   1  -7.492  -2.988  15.490
   10    HE2  MET   1           1HE      MET   1  -6.797  -3.031  13.870
   11    HE3  MET   1           2HE      MET   1  -8.502  -3.413  14.109
   12    H    VAL   2           H        VAL   2  -5.922   0.408   9.178
   13    HA   VAL   2           HA       VAL   2  -4.006  -1.583   8.205
   14    HB   VAL   2           HB       VAL   2  -4.646  -0.892   6.189
   15   HG11  VAL   2          1HG1      VAL   2  -5.690   1.189   5.620
   16   HG12  VAL   2          2HG1      VAL   2  -5.342   1.831   7.229
   17   HG13  VAL   2          3HG1      VAL   2  -6.464   0.485   7.039
   18   HG21  VAL   2          3HG2      VAL   2  -2.810   1.356   6.958
   19   HG22  VAL   2          1HG2      VAL   2  -3.288   0.965   5.311
   20   HG23  VAL   2          2HG2      VAL   2  -2.362  -0.195   6.248
   21    H    THR   3           H        THR   3  -1.955  -1.325   8.560
   22    HA   THR   3           HA       THR   3  -1.183   0.570  10.621
   23    HB   THR   3           HB       THR   3  -0.399  -2.103   9.754
   24    HG1  THR   3           1HG      THR   3  -1.267  -1.526  11.821
   25   HG21  THR   3          3HG2      THR   3   1.614  -0.861   8.987
   26   HG22  THR   3          1HG2      THR   3   1.950  -2.001  10.303
   27   HG23  THR   3          2HG2      THR   3   1.832  -0.275  10.644
   28    H    GLN   4           H        GLN   4   0.412   1.964  10.524
   29    HA   GLN   4           HA       GLN   4   1.669   2.579   7.953
   30    HB2  GLN   4           1HB      GLN   4   2.498   4.577   9.323
   31    HB3  GLN   4           2HB      GLN   4   0.760   4.503   9.032
   32    HG2  GLN   4           1HG      GLN   4   0.291   3.827  11.211
   33    HG3  GLN   4           2HG      GLN   4   1.953   3.318  11.503
   34   HE21  GLN   4          1HE2      GLN   4   3.522   4.818  11.970
   35   HE22  GLN   4          2HE2      GLN   4   3.153   6.417  12.495
   36    H    PHE   5           H        PHE   5   3.667   1.623   7.621
   37    HA   PHE   5           HA       PHE   5   5.183   0.592   9.828
   38    HB2  PHE   5           1HB      PHE   5   5.946   1.033   6.945
   39    HB3  PHE   5           2HB      PHE   5   7.041   0.364   8.135
   40    HD1  PHE   5           2HD      PHE   5   5.150  -1.424   9.609
   41    HD2  PHE   5           1HD      PHE   5   5.690  -0.700   5.454
   42    HE1  PHE   5           2HE      PHE   5   4.327  -3.688   9.108
   43    HE2  PHE   5           1HE      PHE   5   4.879  -2.952   4.942
   44    HZ   PHE   5           HZ       PHE   5   4.191  -4.456   6.773
   45    H    LYS   6           H        LYS   6   6.757   1.573  10.970
   46    HA   LYS   6           HA       LYS   6   7.002   4.427  10.574
   47    HB2  LYS   6           1HB      LYS   6   8.245   4.385  12.725
   48    HB3  LYS   6           2HB      LYS   6   6.619   3.714  12.824
   49    HG2  LYS   6           1HG      LYS   6   7.639   1.443  12.618
   50    HG3  LYS   6           2HG      LYS   6   9.224   2.203  12.734
   51    HD2  LYS   6           1HD      LYS   6   7.056   2.446  14.815
   52    HD3  LYS   6           2HD      LYS   6   8.390   1.296  14.893
   53    HE2  LYS   6           1HE      LYS   6   8.695   4.295  14.769
   54    HE3  LYS   6           2HE      LYS   6   8.769   3.336  16.244
   55    HZ1  LYS   6           3HZ      LYS   6  10.665   2.135  15.265
   56    HZ2  LYS   6           1HZ      LYS   6  10.974   3.785  15.479
   57    HZ3  LYS   6           2HZ      LYS   6  10.629   3.183  13.938
   58    H    THR   7           H        THR   7   8.784   1.643   9.741
   59    HA   THR   7           HA       THR   7  11.001   3.369   8.923
   60    HB   THR   7           HB       THR   7  12.619   1.582   9.359
   61    HG1  THR   7           1HG      THR   7  11.637  -0.045  10.970
   62   HG21  THR   7          3HG2      THR   7  12.694   1.775  11.787
   63   HG22  THR   7          1HG2      THR   7  11.020   2.327  11.805
   64   HG23  THR   7          2HG2      THR   7  12.267   3.319  11.054
   65    H    ALA   8           H        ALA   8  12.042   2.858   7.022
   66    HA   ALA   8           HA       ALA   8  10.684   1.507   4.972
   67    HB1  ALA   8           1HB      ALA   8  12.521   3.169   4.668
   68    HB2  ALA   8           2HB      ALA   8  12.741   1.694   3.726
   69    HB3  ALA   8           3HB      ALA   8  13.667   1.942   5.206
   70    H    SER   9           H        SER   9  12.934   0.514   7.436
   71    HA   SER   9           HA       SER   9  13.589  -2.059   6.511
   72    HB2  SER   9           1HB      SER   9  13.385  -1.118   9.380
   73    HB3  SER   9           2HB      SER   9  14.331  -2.481   8.783
   74    HG   SER   9           HG       SER   9  14.793   0.045   7.666
   75    H    GLU  10           H        GLU  10  10.895  -0.833   8.471
   76    HA   GLU  10           HA       GLU  10   9.751  -3.340   9.112
   77    HB2  GLU  10           1HB      GLU  10   8.616  -0.576   8.793
   78    HB3  GLU  10           2HB      GLU  10   7.572  -1.943   9.152
   79    HG2  GLU  10           1HG      GLU  10   9.938  -1.184  10.838
   80    HG3  GLU  10           2HG      GLU  10   8.309  -0.577  11.118
   81    H    PHE  11           H        PHE  11   9.176  -1.129   6.422
   82    HA   PHE  11           HA       PHE  11   7.289  -2.657   5.034
   83    HB2  PHE  11           1HB      PHE  11   7.357  -0.543   4.221
   84    HB3  PHE  11           2HB      PHE  11   9.093  -0.381   4.445
   85    HD1  PHE  11           2HD      PHE  11   6.430  -1.405   2.171
   86    HD2  PHE  11           1HD      PHE  11  10.631  -1.037   2.694
   87    HE1  PHE  11           2HE      PHE  11   6.744  -1.681  -0.250
   88    HE2  PHE  11           1HE      PHE  11  10.958  -1.306   0.268
   89    HZ   PHE  11           HZ       PHE  11   9.012  -1.632  -1.207
   90    H    ASP  12           H        ASP  12  10.813  -2.526   4.714
   91    HA   ASP  12           HA       ASP  12  11.200  -4.295   2.627
   92    HB2  ASP  12           1HB      ASP  12  13.065  -3.080   3.491
   93    HB3  ASP  12           2HB      ASP  12  12.862  -3.777   5.094
   94    H    SER  13           H        SER  13  10.826  -5.025   6.062
   95    HA   SER  13           HA       SER  13  11.379  -7.797   5.746
   96    HB2  SER  13           1HB      SER  13  10.021  -6.392   8.056
   97    HB3  SER  13           2HB      SER  13  10.789  -7.981   8.096
   98    HG   SER  13           HG       SER  13  12.024  -5.447   7.716
   99    H    ALA  14           H        ALA  14   8.440  -5.877   5.763
  100    HA   ALA  14           HA       ALA  14   6.661  -8.086   5.976
  101    HB1  ALA  14           1HB      ALA  14   4.950  -6.505   5.125
  102    HB2  ALA  14           2HB      ALA  14   6.231  -5.317   4.872
  103    HB3  ALA  14           3HB      ALA  14   5.862  -5.881   6.503
  104    H    ILE  15           H        ILE  15   7.861  -6.193   3.222
  105    HA   ILE  15           HA       ILE  15   6.352  -7.612   1.296
  106    HB   ILE  15           HB       ILE  15   7.720  -6.489  -0.375
  107   HG12  ILE  15          1HG1      ILE  15   9.328  -5.287   1.869
  108   HG13  ILE  15          2HG1      ILE  15   9.849  -6.750   1.046
  109   HG21  ILE  15          1HG2      ILE  15   6.998  -4.706   1.951
  110   HG22  ILE  15          2HG2      ILE  15   5.900  -5.260   0.688
  111   HG23  ILE  15          3HG2      ILE  15   7.233  -4.178   0.285
  112   HD11  ILE  15          3HD1      ILE  15   9.886  -5.533  -1.071
  113   HD12  ILE  15          1HD1      ILE  15  10.941  -4.795   0.133
  114   HD13  ILE  15          2HD1      ILE  15   9.376  -4.069  -0.229
  115    H    ALA  16           H        ALA  16   9.287  -8.333   2.943
  116    HA   ALA  16           HA       ALA  16  10.278 -10.154   0.937
  117    HB1  ALA  16           1HB      ALA  16  11.991 -10.709   2.532
  118    HB2  ALA  16           2HB      ALA  16  11.094  -9.915   3.824
  119    HB3  ALA  16           3HB      ALA  16  11.775  -8.957   2.506
  120    H    GLN  17           H        GLN  17   7.813 -10.286   3.166
  121    HA   GLN  17           HA       GLN  17   8.132 -13.033   3.956
  122    HB2  GLN  17           1HB      GLN  17   5.843 -11.090   4.288
  123    HB3  GLN  17           2HB      GLN  17   5.840 -12.725   4.933
  124    HG2  GLN  17           1HG      GLN  17   7.726 -12.222   6.338
  125    HG3  GLN  17           2HG      GLN  17   7.869 -10.618   5.624
  126   HE21  GLN  17          1HE2      GLN  17   7.626  -9.591   7.584
  127   HE22  GLN  17          2HE2      GLN  17   6.111  -9.507   8.413
  128    H    ASP  18           H        ASP  18   6.755 -14.761   3.359
  129    HA   ASP  18           HA       ASP  18   5.971 -14.652   0.589
  130    HB2  ASP  18           1HB      ASP  18   5.463 -17.035   0.873
  131    HB3  ASP  18           2HB      ASP  18   7.111 -16.640   1.329
  132    H    LYS  19           H        LYS  19   4.407 -12.938   1.567
  133    HA   LYS  19           HA       LYS  19   1.772 -14.130   1.452
  134    HB2  LYS  19           1HB      LYS  19   0.978 -13.485   3.495
  135    HB3  LYS  19           2HB      LYS  19   2.630 -13.876   3.919
  136    HG2  LYS  19           1HG      LYS  19   3.215 -11.697   4.280
  137    HG3  LYS  19           2HG      LYS  19   1.994 -11.070   3.168
  138    HD2  LYS  19           1HD      LYS  19   1.399 -12.343   5.839
  139    HD3  LYS  19           2HD      LYS  19   1.469 -10.603   5.547
  140    HE2  LYS  19           1HE      LYS  19  -0.396 -10.693   4.073
  141    HE3  LYS  19           2HE      LYS  19  -0.358 -12.453   4.021
  142    HZ1  LYS  19           3HZ      LYS  19  -1.120 -10.737   6.328
  143    HZ2  LYS  19           1HZ      LYS  19  -0.901 -12.415   6.433
  144    HZ3  LYS  19           2HZ      LYS  19  -2.118 -11.787   5.448
  145    H    LEU  20           H        LEU  20   0.081 -12.382   1.381
  146    HA   LEU  20           HA       LEU  20   0.844 -10.408  -0.543
  147    HB2  LEU  20           1HB      LEU  20  -1.406 -11.660  -0.284
  148    HB3  LEU  20           2HB      LEU  20  -1.756 -10.489   0.966
  149    HG   LEU  20           HG       LEU  20  -2.812  -9.873  -1.133
  150   HD11  LEU  20          1HD1      LEU  20  -0.582  -8.001  -0.390
  151   HD12  LEU  20          2HD1      LEU  20  -2.195  -8.059   0.321
  152   HD13  LEU  20          3HD1      LEU  20  -1.992  -7.580  -1.363
  153   HD21  LEU  20          3HD2      LEU  20  -1.155 -10.944  -2.625
  154   HD22  LEU  20          1HD2      LEU  20  -0.055  -9.604  -2.295
  155   HD23  LEU  20          2HD2      LEU  20  -1.593  -9.305  -3.108
  156    H    VAL  21           H        VAL  21   2.075  -8.740   0.168
  157    HA   VAL  21           HA       VAL  21   1.010  -7.234   2.470
  158    HB   VAL  21           HB       VAL  21   3.863  -7.307   1.439
  159   HG11  VAL  21          1HG1      VAL  21   4.397  -5.738   3.206
  160   HG12  VAL  21          2HG1      VAL  21   2.711  -5.712   3.730
  161   HG13  VAL  21          3HG1      VAL  21   3.155  -5.043   2.154
  162   HG21  VAL  21          3HG2      VAL  21   2.635  -8.203   4.051
  163   HG22  VAL  21          1HG2      VAL  21   4.357  -8.216   3.668
  164   HG23  VAL  21          2HG2      VAL  21   3.246  -9.252   2.772
  165    H    VAL  22           H        VAL  22  -0.246  -5.661   1.676
  166    HA   VAL  22           HA       VAL  22   0.739  -4.168  -0.626
  167    HB   VAL  22           HB       VAL  22  -1.363  -4.609  -1.277
  168   HG11  VAL  22          1HG1      VAL  22  -2.014  -5.985   0.538
  169   HG12  VAL  22          2HG1      VAL  22  -3.313  -4.838   0.216
  170   HG13  VAL  22          3HG1      VAL  22  -2.234  -4.585   1.589
  171   HG21  VAL  22          3HG2      VAL  22  -1.859  -2.207   0.462
  172   HG22  VAL  22          1HG2      VAL  22  -2.890  -2.744  -0.864
  173   HG23  VAL  22          2HG2      VAL  22  -1.246  -2.196  -1.191
  174    H    VAL  23           H        VAL  23   2.022  -2.627  -0.090
  175    HA   VAL  23           HA       VAL  23   1.429  -0.921   2.225
  176    HB   VAL  23           HB       VAL  23   3.933  -1.226   0.554
  177   HG11  VAL  23          1HG1      VAL  23   5.000   0.248   2.179
  178   HG12  VAL  23          2HG1      VAL  23   3.449   0.486   2.983
  179   HG13  VAL  23          3HG1      VAL  23   3.688   1.073   1.337
  180   HG21  VAL  23          3HG2      VAL  23   4.866  -2.300   2.471
  181   HG22  VAL  23          1HG2      VAL  23   3.325  -3.076   2.127
  182   HG23  VAL  23          2HG2      VAL  23   3.453  -1.914   3.446
  183    H    ALA  24           H        ALA  24   0.868   1.205   1.991
  184    HA   ALA  24           HA       ALA  24   0.845   2.332  -0.729
  185    HB1  ALA  24           1HB      ALA  24  -1.391   1.816   0.462
  186    HB2  ALA  24           2HB      ALA  24  -1.190   3.340  -0.393
  187    HB3  ALA  24           3HB      ALA  24  -1.049   3.299   1.368
  188    H    PHE  25           H        PHE  25   2.468   3.614  -0.924
  189    HA   PHE  25           HA       PHE  25   3.467   5.356   1.104
  190    HB2  PHE  25           1HB      PHE  25   3.767   5.424  -1.898
  191    HB3  PHE  25           2HB      PHE  25   4.754   6.338  -0.761
  192    HD1  PHE  25           2HD      PHE  25   3.988   3.000  -2.094
  193    HD2  PHE  25           1HD      PHE  25   6.544   5.290   0.422
  194    HE1  PHE  25           2HE      PHE  25   5.579   1.125  -2.015
  195    HE2  PHE  25           1HE      PHE  25   8.144   3.425   0.490
  196    HZ   PHE  25           HZ       PHE  25   7.664   1.339  -0.722
  197    H    TYR  26           H        TYR  26   2.136   6.957   1.888
  198    HA   TYR  26           HA       TYR  26   1.221   8.999   0.097
  199    HB2  TYR  26           1HB      TYR  26  -1.033   8.627   0.021
  200    HB3  TYR  26           2HB      TYR  26  -0.461   6.963   0.108
  201    HD1  TYR  26           1HD      TYR  26  -1.701   9.704   2.282
  202    HD2  TYR  26           2HD      TYR  26  -1.250   5.548   1.648
  203    HE1  TYR  26           1HE      TYR  26  -3.183   9.262   4.215
  204    HE2  TYR  26           2HE      TYR  26  -2.691   5.075   3.556
  205    HH   TYR  26           HH       TYR  26  -4.446   7.610   5.229
  206    H    ALA  27           H        ALA  27   0.526  10.893   1.163
  207    HA   ALA  27           HA       ALA  27   0.647  10.810   4.097
  208    HB1  ALA  27           1HB      ALA  27   2.722  11.793   3.412
  209    HB2  ALA  27           2HB      ALA  27   1.686  13.078   4.030
  210    HB3  ALA  27           3HB      ALA  27   1.897  12.875   2.290
  211    H    THR  28           H        THR  28  -0.796  12.189   5.130
  212    HA   THR  28           HA       THR  28  -3.264  12.298   3.766
  213    HB   THR  28           HB       THR  28  -4.017  13.415   5.965
  214    HG1  THR  28           1HG      THR  28  -2.434  13.950   7.258
  215   HG21  THR  28          3HG2      THR  28  -2.727  10.682   6.012
  216   HG22  THR  28          1HG2      THR  28  -4.359  11.044   5.451
  217   HG23  THR  28          2HG2      THR  28  -3.940  11.269   7.149
  218    H    TRP  29           H        TRP  29  -0.829  14.521   3.587
  219    HA   TRP  29           HA       TRP  29  -2.276  16.933   4.056
  220    HB2  TRP  29           1HB      TRP  29  -0.264  18.037   3.069
  221    HB3  TRP  29           2HB      TRP  29   0.089  16.958   4.409
  222    HD1  TRP  29           HD       TRP  29  -0.404  15.645   0.823
  223    HE1  TRP  29           1HE      TRP  29   1.825  14.658   0.000
  224    HE3  TRP  29           3HE      TRP  29   2.587  17.039   4.728
  225    HZ2  TRP  29           2HZ      TRP  29   4.495  14.496   0.888
  226    HZ3  TRP  29           3HZ      TRP  29   4.970  16.430   4.659
  227    HH2  TRP  29           HH       TRP  29   5.902  15.184   2.778
  228    H    CYS  30           H        CYS  30  -2.914  14.868   1.675
  229    HA   CYS  30           HA       CYS  30  -3.262  17.004  -0.320
  230    HB2  CYS  30           1HB      CYS  30  -2.789  15.508  -2.100
  231    HB3  CYS  30           2HB      CYS  30  -1.504  15.306  -0.920
  232    H    GLY  31           H        GLY  31  -4.820  15.895  -2.158
  233    HA2  GLY  31           1HA      GLY  31  -7.352  15.559  -0.809
  234    HA3  GLY  31           2HA      GLY  31  -7.094  15.682  -2.542
  235    HA   PRO  32           HA       PRO  32  -7.392  11.399  -3.406
  236    HB2  PRO  32           1HB      PRO  32  -4.452  10.944  -3.567
  237    HB3  PRO  32           2HB      PRO  32  -5.716  10.566  -4.743
  238    HG2  PRO  32           1HG      PRO  32  -4.099  12.631  -5.138
  239    HG3  PRO  32           2HG      PRO  32  -5.827  12.755  -5.521
  240    HD2  PRO  32           1HD      PRO  32  -4.322  13.830  -3.168
  241    HD3  PRO  32           2HD      PRO  32  -5.637  14.573  -4.095
  242    H    CYS  33           H        CYS  33  -4.485  11.763  -1.414
  243    HA   CYS  33           HA       CYS  33  -4.455   9.344  -0.083
  244    HB2  CYS  33           1HB      CYS  33  -3.408  10.756   1.802
  245    HB3  CYS  33           2HB      CYS  33  -2.611  10.754   0.230
  246    H    LYS  34           H        LYS  34  -6.414  12.186   0.621
  247    HA   LYS  34           HA       LYS  34  -7.345  11.249   3.120
  248    HB2  LYS  34           1HB      LYS  34  -7.454  13.619   2.419
  249    HB3  LYS  34           2HB      LYS  34  -8.674  13.192   1.229
  250    HG2  LYS  34           1HG      LYS  34 -10.237  12.605   2.920
  251    HG3  LYS  34           2HG      LYS  34  -9.008  12.719   4.178
  252    HD2  LYS  34           1HD      LYS  34 -10.263  14.692   4.373
  253    HD3  LYS  34           2HD      LYS  34  -8.794  15.171   3.531
  254    HE2  LYS  34           1HE      LYS  34 -11.337  14.479   2.085
  255    HE3  LYS  34           2HE      LYS  34 -10.992  16.105   2.662
  256    HZ1  LYS  34           3HZ      LYS  34 -10.351  15.945   0.390
  257    HZ2  LYS  34           1HZ      LYS  34  -9.435  14.554   0.670
  258    HZ3  LYS  34           2HZ      LYS  34  -8.938  16.036   1.310
  259    H    MET  35           H        MET  35  -8.917  11.269  -0.109
  260    HA   MET  35           HA       MET  35 -11.256   9.993   0.760
  261    HB2  MET  35           1HB      MET  35 -11.692   9.478  -1.607
  262    HB3  MET  35           2HB      MET  35 -11.258  11.156  -1.336
  263    HG2  MET  35           1HG      MET  35  -8.970  10.642  -2.092
  264    HG3  MET  35           2HG      MET  35  -9.487   8.990  -2.420
  265    HE1  MET  35           3HE      MET  35 -12.141   9.561  -5.276
  266    HE2  MET  35           1HE      MET  35 -12.490   9.576  -3.548
  267    HE3  MET  35           2HE      MET  35 -11.380   8.380  -4.212
  268    H    ILE  36           H        ILE  36  -8.322   8.500  -0.648
  269    HA   ILE  36           HA       ILE  36  -9.565   5.923  -0.581
  270    HB   ILE  36           HB       ILE  36  -7.963   5.383  -2.000
  271   HG12  ILE  36          1HG1      ILE  36  -6.953   4.633   0.317
  272   HG13  ILE  36          2HG1      ILE  36  -6.061   4.420  -1.169
  273   HG21  ILE  36          1HG2      ILE  36  -7.629   7.747  -2.449
  274   HG22  ILE  36          2HG2      ILE  36  -6.134   6.829  -2.627
  275   HG23  ILE  36          3HG2      ILE  36  -6.399   7.815  -1.188
  276   HD11  ILE  36          3HD1      ILE  36  -5.695   6.658   0.812
  277   HD12  ILE  36          1HD1      ILE  36  -4.762   6.438  -0.667
  278   HD13  ILE  36          2HD1      ILE  36  -4.649   5.249   0.632
  279    H    ALA  37           H        ALA  37  -7.894   7.849   1.710
  280    HA   ALA  37           HA       ALA  37  -6.698   5.903   3.272
  281    HB1  ALA  37           1HB      ALA  37  -7.948   8.447   4.284
  282    HB2  ALA  37           2HB      ALA  37  -6.350   8.324   3.532
  283    HB3  ALA  37           3HB      ALA  37  -6.678   7.500   5.064
  284    HA   PRO  38           HA       PRO  38 -10.847   5.175   5.681
  285    HB2  PRO  38           1HB      PRO  38 -13.108   6.064   4.390
  286    HB3  PRO  38           2HB      PRO  38 -12.341   6.892   5.747
  287    HG2  PRO  38           1HG      PRO  38 -12.091   7.424   2.819
  288    HG3  PRO  38           2HG      PRO  38 -12.240   8.575   4.160
  289    HD2  PRO  38           1HD      PRO  38  -9.878   8.084   3.014
  290    HD3  PRO  38           2HD      PRO  38 -10.014   8.354   4.762
  291    H    MET  39           H        MET  39 -10.925   5.415   2.106
  292    HA   MET  39           HA       MET  39 -12.645   3.208   1.737
  293    HB2  MET  39           1HB      MET  39 -10.533   4.320  -0.109
  294    HB3  MET  39           2HB      MET  39 -11.695   3.086  -0.575
  295    HG2  MET  39           1HG      MET  39 -12.302   5.906   0.275
  296    HG3  MET  39           2HG      MET  39 -12.442   5.232  -1.347
  297    HE1  MET  39           3HE      MET  39 -15.424   2.720  -0.926
  298    HE2  MET  39           1HE      MET  39 -13.716   2.337  -0.703
  299    HE3  MET  39           2HE      MET  39 -14.219   3.387  -2.028
  300    H    ILE  40           H        ILE  40  -9.050   3.248   1.401
  301    HA   ILE  40           HA       ILE  40  -8.851   0.451   1.275
  302    HB   ILE  40           HB       ILE  40  -6.920   2.676   1.825
  303   HG12  ILE  40          1HG1      ILE  40  -6.969   0.425  -0.191
  304   HG13  ILE  40          2HG1      ILE  40  -7.792   1.960  -0.430
  305   HG21  ILE  40          1HG2      ILE  40  -6.069   1.075   3.363
  306   HG22  ILE  40          2HG2      ILE  40  -5.088   0.967   1.899
  307   HG23  ILE  40          3HG2      ILE  40  -6.323  -0.250   2.224
  308   HD11  ILE  40          3HD1      ILE  40  -5.468   2.979  -0.018
  309   HD12  ILE  40          1HD1      ILE  40  -5.847   2.246  -1.579
  310   HD13  ILE  40          2HD1      ILE  40  -4.884   1.357  -0.391
  311    H    GLU  41           H        GLU  41  -9.283   2.554   4.006
  312    HA   GLU  41           HA       GLU  41  -8.588   0.665   6.004
  313    HB2  GLU  41           1HB      GLU  41  -8.908   3.097   6.419
  314    HB3  GLU  41           2HB      GLU  41 -10.635   2.878   6.167
  315    HG2  GLU  41           1HG      GLU  41 -10.818   1.492   8.090
  316    HG3  GLU  41           2HG      GLU  41  -9.067   1.431   8.282
  317    H    LYS  42           H        LYS  42 -11.663   1.434   4.361
  318    HA   LYS  42           HA       LYS  42 -13.205  -0.475   5.737
  319    HB2  LYS  42           1HB      LYS  42 -14.373   1.178   4.497
  320    HB3  LYS  42           2HB      LYS  42 -13.489   0.807   3.025
  321    HG2  LYS  42           1HG      LYS  42 -15.847   0.030   3.024
  322    HG3  LYS  42           2HG      LYS  42 -14.668  -1.251   2.747
  323    HD2  LYS  42           1HD      LYS  42 -16.351  -2.056   4.262
  324    HD3  LYS  42           2HD      LYS  42 -14.835  -1.861   5.140
  325    HE2  LYS  42           1HE      LYS  42 -16.615  -1.022   6.509
  326    HE3  LYS  42           2HE      LYS  42 -15.658   0.345   5.945
  327    HZ1  LYS  42           3HZ      LYS  42 -18.267  -0.546   4.844
  328    HZ2  LYS  42           1HZ      LYS  42 -17.338   0.721   4.216
  329    HZ3  LYS  42           2HZ      LYS  42 -17.990   0.839   5.772
  330    H    PHE  43           H        PHE  43 -11.355  -0.697   2.755
  331    HA   PHE  43           HA       PHE  43 -12.090  -3.347   2.186
  332    HB2  PHE  43           1HB      PHE  43  -9.695  -1.767   1.253
  333    HB3  PHE  43           2HB      PHE  43 -10.202  -3.318   0.600
  334    HD1  PHE  43           2HD      PHE  43 -13.181  -1.831   1.342
  335    HD2  PHE  43           1HD      PHE  43  -9.934  -1.417  -1.377
  336    HE1  PHE  43           2HE      PHE  43 -14.662  -0.673  -0.242
  337    HE2  PHE  43           1HE      PHE  43 -11.410  -0.248  -2.958
  338    HZ   PHE  43           HZ       PHE  43 -13.776   0.122  -2.396
  339    H    SER  44           H        SER  44  -9.994  -2.036   4.480
  340    HA   SER  44           HA       SER  44  -8.362  -4.415   4.755
  341    HB2  SER  44           1HB      SER  44  -7.043  -3.207   6.282
  342    HB3  SER  44           2HB      SER  44  -7.579  -1.968   5.144
  343    HG   SER  44           HG       SER  44  -9.258  -1.463   6.674
  344    H    GLU  45           H        GLU  45 -11.294  -3.115   5.824
  345    HA   GLU  45           HA       GLU  45 -11.520  -4.963   8.046
  346    HB2  GLU  45           1HB      GLU  45 -12.661  -2.664   7.892
  347    HB3  GLU  45           2HB      GLU  45 -13.781  -3.428   6.773
  348    HG2  GLU  45           1HG      GLU  45 -14.639  -3.344   9.069
  349    HG3  GLU  45           2HG      GLU  45 -14.475  -4.994   8.467
  350    H    GLN  46           H        GLN  46 -11.870  -4.968   4.672
  351    HA   GLN  46           HA       GLN  46 -13.174  -7.596   4.840
  352    HB2  GLN  46           1HB      GLN  46 -13.940  -6.878   2.385
  353    HB3  GLN  46           2HB      GLN  46 -14.906  -6.569   3.819
  354    HG2  GLN  46           1HG      GLN  46 -14.589  -4.345   3.712
  355    HG3  GLN  46           2HG      GLN  46 -12.946  -4.481   3.083
  356   HE21  GLN  46          1HE2      GLN  46 -15.290  -2.865   2.227
  357   HE22  GLN  46          2HE2      GLN  46 -15.502  -3.231   0.551
  358    H    TYR  47           H        TYR  47 -10.278  -7.036   4.651
  359    HA   TYR  47           HA       TYR  47  -9.873  -8.511   2.129
  360    HB2  TYR  47           1HB      TYR  47  -7.604  -7.739   2.007
  361    HB3  TYR  47           2HB      TYR  47  -8.673  -6.362   2.218
  362    HD1  TYR  47           1HD      TYR  47  -8.808  -7.413   5.362
  363    HD2  TYR  47           2HD      TYR  47  -5.817  -6.012   2.686
  364    HE1  TYR  47           1HE      TYR  47  -7.433  -6.669   7.260
  365    HE2  TYR  47           2HE      TYR  47  -4.513  -5.296   4.500
  366    HH   TYR  47           HH       TYR  47  -5.161  -6.137   7.771
  367    HA   PRO  48           HA       PRO  48  -9.362 -11.608   5.581
  368    HB2  PRO  48           1HB      PRO  48 -10.053 -13.392   3.302
  369    HB3  PRO  48           2HB      PRO  48 -10.664 -13.391   4.959
  370    HG2  PRO  48           1HG      PRO  48 -12.166 -12.459   2.976
  371    HG3  PRO  48           2HG      PRO  48 -12.145 -11.646   4.553
  372    HD2  PRO  48           1HD      PRO  48 -10.789 -10.872   2.000
  373    HD3  PRO  48           2HD      PRO  48 -11.585  -9.845   3.210
  374    H    GLN  49           H        GLN  49  -8.102 -11.732   2.261
  375    HA   GLN  49           HA       GLN  49  -5.962 -13.514   3.177
  376    HB2  GLN  49           1HB      GLN  49  -7.378 -14.440   1.449
  377    HB3  GLN  49           2HB      GLN  49  -7.111 -13.045   0.425
  378    HG2  GLN  49           1HG      GLN  49  -5.874 -15.085  -0.247
  379    HG3  GLN  49           2HG      GLN  49  -4.867 -13.667   0.022
  380   HE21  GLN  49          1HE2      GLN  49  -3.414 -13.649   1.664
  381   HE22  GLN  49          2HE2      GLN  49  -2.997 -15.053   2.581
  382    H    ALA  50           H        ALA  50  -6.028 -10.514   3.443
  383    HA   ALA  50           HA       ALA  50  -3.482 -10.022   2.086
  384    HB1  ALA  50           1HB      ALA  50  -4.144  -7.884   1.280
  385    HB2  ALA  50           2HB      ALA  50  -5.698  -7.996   2.100
  386    HB3  ALA  50           3HB      ALA  50  -5.347  -9.053   0.736
  387    H    ASP  51           H        ASP  51  -2.351  -8.144   2.926
  388    HA   ASP  51           HA       ASP  51  -3.221  -7.258   5.581
  389    HB2  ASP  51           1HB      ASP  51  -0.867  -8.778   4.991
  390    HB3  ASP  51           2HB      ASP  51  -0.362  -7.159   5.471
  391    H    PHE  52           H        PHE  52  -3.507  -5.163   5.602
  392    HA   PHE  52           HA       PHE  52  -2.493  -3.577   3.392
  393    HB2  PHE  52           1HB      PHE  52  -4.782  -3.383   5.213
  394    HB3  PHE  52           2HB      PHE  52  -3.982  -1.849   4.909
  395    HD1  PHE  52           1HD      PHE  52  -3.213  -2.096   2.083
  396    HD2  PHE  52           2HD      PHE  52  -6.748  -3.277   4.106
  397    HE1  PHE  52           1HE      PHE  52  -4.504  -1.799   0.004
  398    HE2  PHE  52           2HE      PHE  52  -8.044  -2.981   2.068
  399    HZ   PHE  52           HZ       PHE  52  -6.929  -2.246  -0.011
  400    H    TYR  53           H        TYR  53  -0.800  -2.220   3.655
  401    HA   TYR  53           HA       TYR  53  -0.557  -0.873   6.250
  402    HB2  TYR  53           1HB      TYR  53   1.849  -1.752   4.639
  403    HB3  TYR  53           2HB      TYR  53   1.834  -1.046   6.261
  404    HD1  TYR  53           2HD      TYR  53   0.756  -2.408   8.132
  405    HD2  TYR  53           1HD      TYR  53   1.823  -4.085   4.380
  406    HE1  TYR  53           2HE      TYR  53   0.737  -4.646   9.141
  407    HE2  TYR  53           1HE      TYR  53   1.804  -6.336   5.377
  408    HH   TYR  53           HH       TYR  53   0.365  -7.066   8.218
  409    H    LYS  54           H        LYS  54  -0.302   1.322   6.006
  410    HA   LYS  54           HA       LYS  54   0.416   2.214   3.291
  411    HB2  LYS  54           1HB      LYS  54  -1.610   3.594   5.054
  412    HB3  LYS  54           2HB      LYS  54  -1.094   4.129   3.444
  413    HG2  LYS  54           1HG      LYS  54  -2.120   2.249   2.407
  414    HG3  LYS  54           2HG      LYS  54  -2.400   1.453   3.937
  415    HD2  LYS  54           1HD      LYS  54  -3.824   3.872   2.810
  416    HD3  LYS  54           2HD      LYS  54  -4.489   2.299   3.202
  417    HE2  LYS  54           1HE      LYS  54  -4.265   2.652   5.531
  418    HE3  LYS  54           2HE      LYS  54  -3.320   4.118   5.294
  419    HZ1  LYS  54           3HZ      LYS  54  -6.160   3.810   4.490
  420    HZ2  LYS  54           1HZ      LYS  54  -5.240   5.230   4.455
  421    HZ3  LYS  54           2HZ      LYS  54  -5.648   4.523   5.936
  422    H    LEU  55           H        LEU  55   2.155   3.424   3.188
  423    HA   LEU  55           HA       LEU  55   3.418   4.260   5.691
  424    HB2  LEU  55           1HB      LEU  55   4.438   4.610   2.869
  425    HB3  LEU  55           2HB      LEU  55   5.356   4.804   4.340
  426    HG   LEU  55           HG       LEU  55   4.280   2.226   3.232
  427   HD11  LEU  55          1HD1      LEU  55   6.646   1.640   3.053
  428   HD12  LEU  55          2HD1      LEU  55   7.088   3.243   3.637
  429   HD13  LEU  55          3HD1      LEU  55   6.261   3.065   2.091
  430   HD21  LEU  55          3HD2      LEU  55   4.116   2.222   5.644
  431   HD22  LEU  55          1HD2      LEU  55   5.787   2.775   5.772
  432   HD23  LEU  55          2HD2      LEU  55   5.430   1.177   5.107
  433    H    ASP  56           H        ASP  56   3.123   6.287   6.493
  434    HA   ASP  56           HA       ASP  56   2.220   8.399   4.825
  435    HB2  ASP  56           1HB      ASP  56   2.739   9.886   6.714
  436    HB3  ASP  56           2HB      ASP  56   1.765   8.517   7.209
  437    H    VAL  57           H        VAL  57   3.384   9.006   3.195
  438    HA   VAL  57           HA       VAL  57   6.080   8.499   2.779
  439    HB   VAL  57           HB       VAL  57   4.045   9.269   1.229
  440   HG11  VAL  57          1HG1      VAL  57   4.276  11.485   0.361
  441   HG12  VAL  57          2HG1      VAL  57   5.690  11.788   1.367
  442   HG13  VAL  57          3HG1      VAL  57   4.105  11.598   2.114
  443   HG21  VAL  57          3HG2      VAL  57   5.687   9.613  -0.576
  444   HG22  VAL  57          1HG2      VAL  57   6.008   8.197   0.427
  445   HG23  VAL  57          2HG2      VAL  57   6.961   9.666   0.643
  446    H    ASP  58           H        ASP  58   4.646  10.843   4.709
  447    HA   ASP  58           HA       ASP  58   6.470  12.978   4.529
  448    HB2  ASP  58           1HB      ASP  58   4.280  13.251   5.498
  449    HB3  ASP  58           2HB      ASP  58   4.632  12.058   6.741
  450    H    GLU  59           H        GLU  59   6.294  10.165   6.733
  451    HA   GLU  59           HA       GLU  59   9.036  10.768   7.583
  452    HB2  GLU  59           1HB      GLU  59   6.988   8.849   8.687
  453    HB3  GLU  59           2HB      GLU  59   8.657   8.899   9.236
  454    HG2  GLU  59           1HG      GLU  59   8.283  11.321   9.798
  455    HG3  GLU  59           2HG      GLU  59   6.568  11.040   9.487
  456    H    LEU  60           H        LEU  60   7.263   8.686   5.513
  457    HA   LEU  60           HA       LEU  60   9.609   6.936   5.236
  458    HB2  LEU  60           1HB      LEU  60   6.714   6.510   4.498
  459    HB3  LEU  60           2HB      LEU  60   7.996   5.526   3.814
  460    HG   LEU  60           HG       LEU  60   7.011   4.341   5.649
  461   HD11  LEU  60          1HD1      LEU  60   9.654   5.464   6.556
  462   HD12  LEU  60          2HD1      LEU  60   9.451   4.153   5.394
  463   HD13  LEU  60          3HD1      LEU  60   8.927   3.942   7.065
  464   HD21  LEU  60          3HD2      LEU  60   6.007   6.201   6.839
  465   HD22  LEU  60          1HD2      LEU  60   7.603   6.767   7.333
  466   HD23  LEU  60          2HD2      LEU  60   6.990   5.227   7.933
  467    H    GLY  61           H        GLY  61  10.136   9.287   4.221
  468    HA2  GLY  61           1HA      GLY  61   9.274   9.577   1.490
  469    HA3  GLY  61           2HA      GLY  61  10.478  10.555   2.314
  470    H    ASP  62           H        ASP  62  12.199   8.465   3.125
  471    HA   ASP  62           HA       ASP  62  13.766   8.301   0.767
  472    HB2  ASP  62           1HB      ASP  62  14.137   6.874   3.407
  473    HB3  ASP  62           2HB      ASP  62  15.340   6.979   2.130
  474    H    VAL  63           H        VAL  63  11.853   5.916   2.567
  475    HA   VAL  63           HA       VAL  63  12.497   3.730   0.887
  476    HB   VAL  63           HB       VAL  63  11.495   3.310   3.065
  477   HG11  VAL  63          1HG1      VAL  63   8.997   4.574   2.011
  478   HG12  VAL  63          2HG1      VAL  63  10.067   5.254   3.238
  479   HG13  VAL  63          3HG1      VAL  63   9.197   3.751   3.560
  480   HG21  VAL  63          3HG2      VAL  63   9.777   2.458   0.764
  481   HG22  VAL  63          1HG2      VAL  63   9.673   1.770   2.384
  482   HG23  VAL  63          2HG2      VAL  63  11.157   1.592   1.443
  483    H    ALA  64           H        ALA  64   9.918   6.137   0.790
  484    HA   ALA  64           HA       ALA  64   8.530   5.217  -1.425
  485    HB1  ALA  64           1HB      ALA  64   7.823   7.522  -1.760
  486    HB2  ALA  64           2HB      ALA  64   9.121   8.084  -0.707
  487    HB3  ALA  64           3HB      ALA  64   7.810   7.107  -0.046
  488    H    GLN  65           H        GLN  65  11.393   7.320  -1.307
  489    HA   GLN  65           HA       GLN  65  11.530   7.647  -4.123
  490    HB2  GLN  65           1HB      GLN  65  13.630   8.107  -2.001
  491    HB3  GLN  65           2HB      GLN  65  13.724   8.673  -3.668
  492    HG2  GLN  65           1HG      GLN  65  11.732   9.497  -1.574
  493    HG3  GLN  65           2HG      GLN  65  13.017  10.478  -2.271
  494   HE21  GLN  65          1HE2      GLN  65  10.105  10.875  -2.183
  495   HE22  GLN  65          2HE2      GLN  65   9.608  11.068  -3.828
  496    H    LYS  66           H        LYS  66  12.816   5.259  -1.928
  497    HA   LYS  66           HA       LYS  66  14.735   4.230  -3.728
  498    HB2  LYS  66           1HB      LYS  66  15.290   2.805  -2.030
  499    HB3  LYS  66           2HB      LYS  66  14.465   4.054  -1.130
  500    HG2  LYS  66           1HG      LYS  66  12.727   2.766  -0.601
  501    HG3  LYS  66           2HG      LYS  66  12.814   1.849  -2.082
  502    HD2  LYS  66           1HD      LYS  66  13.387   0.361  -0.317
  503    HD3  LYS  66           2HD      LYS  66  14.882   0.744  -1.164
  504    HE2  LYS  66           1HE      LYS  66  13.997   2.201   1.316
  505    HE3  LYS  66           2HE      LYS  66  14.966   0.734   1.376
  506    HZ1  LYS  66           3HZ      LYS  66  15.744   3.276   0.048
  507    HZ2  LYS  66           1HZ      LYS  66  16.673   1.863   0.078
  508    HZ3  LYS  66           2HZ      LYS  66  16.349   2.696   1.515
  509    H    ASN  67           H        ASN  67  11.370   3.774  -3.193
  510    HA   ASN  67           HA       ASN  67  11.304   1.480  -5.019
  511    HB2  ASN  67           1HB      ASN  67   9.223   2.668  -3.186
  512    HB3  ASN  67           2HB      ASN  67   8.848   1.425  -4.372
  513   HD21  ASN  67          1HD2      ASN  67  10.519   2.161  -1.423
  514   HD22  ASN  67          2HD2      ASN  67  10.840   0.528  -0.959
  515    H    GLU  68           H        GLU  68  11.573   4.558  -5.506
  516    HA   GLU  68           HA       GLU  68  11.152   5.966  -7.232
  517    HB2  GLU  68           1HB      GLU  68   9.945   3.541  -8.569
  518    HB3  GLU  68           2HB      GLU  68  10.445   5.024  -9.366
  519    HG2  GLU  68           1HG      GLU  68  12.759   4.589  -8.746
  520    HG3  GLU  68           2HG      GLU  68  12.263   3.110  -7.923
  521    H    VAL  69           H        VAL  69   9.314   6.001  -5.172
  522    HA   VAL  69           HA       VAL  69   6.674   6.175  -6.391
  523    HB   VAL  69           HB       VAL  69   7.595   6.624  -3.549
  524   HG11  VAL  69          1HG1      VAL  69   4.788   6.593  -4.653
  525   HG12  VAL  69          2HG1      VAL  69   5.648   8.012  -4.056
  526   HG13  VAL  69          3HG1      VAL  69   5.230   6.704  -2.949
  527   HG21  VAL  69          3HG2      VAL  69   7.714   4.303  -4.250
  528   HG22  VAL  69          1HG2      VAL  69   6.047   4.370  -4.821
  529   HG23  VAL  69          2HG2      VAL  69   6.395   4.529  -3.099
  530    H    SER  70           H        SER  70   5.907   7.994  -7.220
  531    HA   SER  70           HA       SER  70   6.807  10.558  -6.124
  532    HB2  SER  70           1HB      SER  70   6.836  11.427  -8.531
  533    HB3  SER  70           2HB      SER  70   8.181  10.398  -8.042
  534    HG   SER  70           HG       SER  70   6.459   8.715  -8.937
  535    H    ALA  71           H        ALA  71   4.338   8.764  -6.169
  536    HA   ALA  71           HA       ALA  71   2.447  10.928  -6.718
  537    HB1  ALA  71           1HB      ALA  71   0.877   9.384  -7.782
  538    HB2  ALA  71           2HB      ALA  71   2.057   8.080  -7.648
  539    HB3  ALA  71           3HB      ALA  71   2.389   9.465  -8.687
  540    H    MET  72           H        MET  72   0.632  10.916  -5.347
  541    HA   MET  72           HA       MET  72   0.714   8.853  -3.258
  542    HB2  MET  72           1HB      MET  72   0.090  10.462  -1.586
  543    HB3  MET  72           2HB      MET  72   1.502  11.069  -2.435
  544    HG2  MET  72           1HG      MET  72  -1.325  11.935  -2.991
  545    HG3  MET  72           2HG      MET  72  -0.205  12.789  -1.933
  546    HE1  MET  72           3HE      MET  72  -0.610  14.986  -5.225
  547    HE2  MET  72           1HE      MET  72  -0.851  14.961  -3.478
  548    HE3  MET  72           2HE      MET  72  -1.833  13.928  -4.517
  549    HA   PRO  73           HA       PRO  73  -0.185   7.624  -2.223
  550    HB2  PRO  73           1HB      PRO  73  -1.653   5.424  -2.080
  551    HB3  PRO  73           2HB      PRO  73  -2.151   6.880  -1.207
  552    HG2  PRO  73           1HG      PRO  73  -3.156   5.806  -3.818
  553    HG3  PRO  73           2HG      PRO  73  -4.078   6.456  -2.453
  554    HD2  PRO  73           1HD      PRO  73  -3.402   7.897  -4.704
  555    HD3  PRO  73           2HD      PRO  73  -3.773   8.618  -3.127
  556    H    THR  74           H        THR  74   0.950   5.563  -2.608
  557    HA   THR  74           HA       THR  74   0.640   4.501  -5.320
  558    HB   THR  74           HB       THR  74   3.217   4.695  -3.742
  559    HG1  THR  74           1HG      THR  74   2.390   6.624  -4.904
  560   HG21  THR  74          3HG2      THR  74   3.161   2.618  -4.990
  561   HG22  THR  74          1HG2      THR  74   4.266   3.746  -5.772
  562   HG23  THR  74          2HG2      THR  74   2.660   3.473  -6.448
  563    H    LEU  75           H        LEU  75  -0.166   2.525  -5.262
  564    HA   LEU  75           HA       LEU  75  -0.053   1.038  -2.732
  565    HB2  LEU  75           1HB      LEU  75  -2.064   1.371  -4.878
  566    HB3  LEU  75           2HB      LEU  75  -1.956  -0.202  -4.122
  567    HG   LEU  75           HG       LEU  75  -3.699   1.171  -3.088
  568   HD11  LEU  75          1HD1      LEU  75  -2.982   0.957  -0.753
  569   HD12  LEU  75          2HD1      LEU  75  -1.327   0.692  -1.296
  570   HD13  LEU  75          3HD1      LEU  75  -2.587  -0.471  -1.708
  571   HD21  LEU  75          3HD2      LEU  75  -2.797   3.373  -3.495
  572   HD22  LEU  75          1HD2      LEU  75  -1.444   3.051  -2.411
  573   HD23  LEU  75          2HD2      LEU  75  -3.084   3.154  -1.770
  574    H    LEU  76           H        LEU  76   1.502  -0.448  -2.799
  575    HA   LEU  76           HA       LEU  76   1.652  -2.138  -5.208
  576    HB2  LEU  76           1HB      LEU  76   4.035  -1.483  -3.476
  577    HB3  LEU  76           2HB      LEU  76   4.029  -2.242  -5.053
  578    HG   LEU  76           HG       LEU  76   3.303   0.643  -4.551
  579   HD11  LEU  76          1HD1      LEU  76   5.863  -0.553  -5.601
  580   HD12  LEU  76          2HD1      LEU  76   5.650   0.233  -4.038
  581   HD13  LEU  76          3HD1      LEU  76   5.482   1.167  -5.524
  582   HD21  LEU  76          3HD2      LEU  76   3.806  -0.894  -7.093
  583   HD22  LEU  76          1HD2      LEU  76   3.552   0.849  -6.984
  584   HD23  LEU  76          2HD2      LEU  76   2.256  -0.260  -6.540
  585    H    LEU  77           H        LEU  77   0.896  -4.063  -4.646
  586    HA   LEU  77           HA       LEU  77   1.503  -5.034  -1.967
  587    HB2  LEU  77           1HB      LEU  77   0.148  -7.036  -3.350
  588    HB3  LEU  77           2HB      LEU  77  -0.475  -5.991  -2.099
  589    HG   LEU  77           HG       LEU  77  -0.551  -5.287  -5.032
  590   HD11  LEU  77          1HD1      LEU  77  -1.801  -7.325  -4.645
  591   HD12  LEU  77          2HD1      LEU  77  -2.930  -5.987  -4.857
  592   HD13  LEU  77          3HD1      LEU  77  -2.592  -6.608  -3.239
  593   HD21  LEU  77          3HD2      LEU  77  -2.287  -4.228  -2.812
  594   HD22  LEU  77          1HD2      LEU  77  -2.081  -3.594  -4.443
  595   HD23  LEU  77          2HD2      LEU  77  -0.770  -3.451  -3.268
  596    H    PHE  78           H        PHE  78   2.904  -6.508  -1.507
  597    HA   PHE  78           HA       PHE  78   4.529  -7.502  -3.727
  598    HB2  PHE  78           1HB      PHE  78   5.229  -6.762  -0.891
  599    HB3  PHE  78           2HB      PHE  78   6.337  -7.632  -1.938
  600    HD1  PHE  78           2HD      PHE  78   4.669  -4.441  -1.300
  601    HD2  PHE  78           1HD      PHE  78   7.442  -6.515  -3.771
  602    HE1  PHE  78           2HE      PHE  78   5.462  -2.296  -2.203
  603    HE2  PHE  78           1HE      PHE  78   8.237  -4.371  -4.678
  604    HZ   PHE  78           HZ       PHE  78   7.248  -2.259  -3.895
  605    H    LYS  79           H        LYS  79   5.478  -9.594  -3.544
  606    HA   LYS  79           HA       LYS  79   4.472 -11.315  -1.410
  607    HB2  LYS  79           1HB      LYS  79   2.933 -11.728  -3.185
  608    HB3  LYS  79           2HB      LYS  79   4.218 -11.800  -4.380
  609    HG2  LYS  79           1HG      LYS  79   5.030 -13.867  -3.306
  610    HG3  LYS  79           2HG      LYS  79   3.684 -13.784  -2.170
  611    HD2  LYS  79           1HD      LYS  79   3.381 -13.962  -5.165
  612    HD3  LYS  79           2HD      LYS  79   3.315 -15.344  -4.074
  613    HE2  LYS  79           1HE      LYS  79   1.414 -14.281  -2.904
  614    HE3  LYS  79           2HE      LYS  79   1.456 -12.972  -4.084
  615    HZ1  LYS  79           3HZ      LYS  79   0.969 -15.834  -4.701
  616    HZ2  LYS  79           1HZ      LYS  79   0.999 -14.575  -5.831
  617    HZ3  LYS  79           2HZ      LYS  79  -0.211 -14.626  -4.649
  618    H    ASN  80           H        ASN  80   6.200 -12.127  -0.479
  619    HA   ASN  80           HA       ASN  80   8.381 -12.645  -0.063
  620    HB2  ASN  80           1HB      ASN  80   9.080 -14.446  -2.052
  621    HB3  ASN  80           2HB      ASN  80   8.285 -14.829  -0.532
  622   HD21  ASN  80          1HD2      ASN  80   7.832 -14.297  -3.951
  623   HD22  ASN  80          2HD2      ASN  80   6.247 -14.980  -4.047
  624    H    GLY  81           H        GLY  81   8.370 -10.249  -1.350
  625    HA2  GLY  81           1HA      GLY  81   9.891  -8.795  -2.262
  626    HA3  GLY  81           2HA      GLY  81  11.050 -10.112  -2.257
  627    H    LYS  82           H        LYS  82   8.265 -10.960  -3.974
  628    HA   LYS  82           HA       LYS  82   9.656 -10.391  -6.503
  629    HB2  LYS  82           1HB      LYS  82   7.882 -12.685  -5.667
  630    HB3  LYS  82           2HB      LYS  82   8.352 -12.391  -7.327
  631    HG2  LYS  82           1HG      LYS  82  10.689 -12.701  -6.758
  632    HG3  LYS  82           2HG      LYS  82  10.258 -12.912  -5.060
  633    HD2  LYS  82           1HD      LYS  82   9.002 -14.919  -5.601
  634    HD3  LYS  82           2HD      LYS  82   9.335 -14.688  -7.319
  635    HE2  LYS  82           1HE      LYS  82  11.717 -14.977  -6.912
  636    HE3  LYS  82           2HE      LYS  82  11.418 -15.146  -5.184
  637    HZ1  LYS  82           3HZ      LYS  82  10.318 -16.977  -7.244
  638    HZ2  LYS  82           1HZ      LYS  82  10.249 -17.175  -5.568
  639    HZ3  LYS  82           2HZ      LYS  82  11.732 -17.280  -6.368
  640    H    GLU  83           H        GLU  83   7.383  -9.159  -4.725
  641    HA   GLU  83           HA       GLU  83   5.594  -7.840  -5.032
  642    HB2  GLU  83           1HB      GLU  83   6.349  -8.069  -7.940
  643    HB3  GLU  83           2HB      GLU  83   5.122  -6.972  -7.321
  644    HG2  GLU  83           1HG      GLU  83   6.827  -5.867  -5.946
  645    HG3  GLU  83           2HG      GLU  83   8.049  -6.941  -6.625
  646    H    VAL  84           H        VAL  84   3.416  -7.702  -6.265
  647    HA   VAL  84           HA       VAL  84   2.590 -10.196  -7.465
  648    HB   VAL  84           HB       VAL  84   2.079 -10.185  -4.920
  649   HG11  VAL  84          1HG1      VAL  84   1.058  -8.067  -4.655
  650   HG12  VAL  84          2HG1      VAL  84  -0.206  -9.285  -4.432
  651   HG13  VAL  84          3HG1      VAL  84  -0.095  -8.390  -5.948
  652   HG21  VAL  84          3HG2      VAL  84   1.316 -11.901  -6.417
  653   HG22  VAL  84          1HG2      VAL  84  -0.007 -10.872  -6.969
  654   HG23  VAL  84          2HG2      VAL  84   0.017 -11.461  -5.305
  655    H    ALA  85           H        ALA  85   2.000  -6.843  -6.660
  656    HA   ALA  85           HA       ALA  85   0.913  -6.370  -9.295
  657    HB1  ALA  85           1HB      ALA  85  -0.821  -5.678  -6.937
  658    HB2  ALA  85           2HB      ALA  85  -1.096  -7.070  -7.985
  659    HB3  ALA  85           3HB      ALA  85  -1.190  -5.433  -8.644
  660    H    LYS  86           H        LYS  86   0.539  -4.067  -9.685
  661    HA   LYS  86           HA       LYS  86   1.671  -2.278  -7.714
  662    HB2  LYS  86           1HB      LYS  86   3.680  -2.663  -8.813
  663    HB3  LYS  86           2HB      LYS  86   2.903  -2.887 -10.369
  664    HG2  LYS  86           1HG      LYS  86   2.608  -0.544 -10.651
  665    HG3  LYS  86           2HG      LYS  86   3.103  -0.223  -8.989
  666    HD2  LYS  86           1HD      LYS  86   5.348  -0.824  -9.446
  667    HD3  LYS  86           2HD      LYS  86   4.916  -1.537 -11.000
  668    HE2  LYS  86           1HE      LYS  86   4.623   1.397 -10.342
  669    HE3  LYS  86           2HE      LYS  86   6.030   0.697 -11.150
  670    HZ1  LYS  86           3HZ      LYS  86   4.595  -0.054 -12.940
  671    HZ2  LYS  86           1HZ      LYS  86   4.452   1.618 -12.737
  672    HZ3  LYS  86           2HZ      LYS  86   3.239   0.590 -12.166
  673    H    VAL  87           H        VAL  87   0.318  -0.646  -7.496
  674    HA   VAL  87           HA       VAL  87  -0.831   0.564  -9.930
  675    HB   VAL  87           HB       VAL  87  -2.204   0.664  -7.239
  676   HG11  VAL  87          1HG1      VAL  87  -3.125   1.242 -10.052
  677   HG12  VAL  87          2HG1      VAL  87  -2.799   2.421  -8.778
  678   HG13  VAL  87          3HG1      VAL  87  -4.153   1.298  -8.619
  679   HG21  VAL  87          3HG2      VAL  87  -2.925  -1.230  -9.476
  680   HG22  VAL  87          1HG2      VAL  87  -3.731  -1.070  -7.911
  681   HG23  VAL  87          2HG2      VAL  87  -2.081  -1.701  -8.001
  682    H    VAL  88           H        VAL  88  -0.521   2.743 -10.103
  683    HA   VAL  88           HA       VAL  88   0.922   3.995  -7.859
  684    HB   VAL  88           HB       VAL  88   1.634   4.551 -10.720
  685   HG11  VAL  88          1HG1      VAL  88   3.845   5.040  -9.656
  686   HG12  VAL  88          2HG1      VAL  88   3.064   4.818  -8.088
  687   HG13  VAL  88          3HG1      VAL  88   2.529   6.110  -9.164
  688   HG21  VAL  88          3HG2      VAL  88   1.742   2.075 -10.218
  689   HG22  VAL  88          1HG2      VAL  88   3.006   2.463  -9.049
  690   HG23  VAL  88          2HG2      VAL  88   3.248   2.829 -10.759
  691    H    GLY  89           H        GLY  89  -1.182   4.936  -7.386
  692    HA2  GLY  89           1HA      GLY  89  -1.381   7.589  -7.970
  693    HA3  GLY  89           2HA      GLY  89  -2.345   6.813  -9.222
  694    H    ALA  90           H        ALA  90  -4.004   8.199  -8.071
  695    HA   ALA  90           HA       ALA  90  -4.983   7.369  -5.533
  696    HB1  ALA  90           1HB      ALA  90  -6.912   8.749  -6.032
  697    HB2  ALA  90           2HB      ALA  90  -6.442   8.835  -7.729
  698    HB3  ALA  90           3HB      ALA  90  -5.436   9.596  -6.496
  699    H    ASN  91           H        ASN  91  -5.297   5.163  -5.493
  700    HA   ASN  91           HA       ASN  91  -7.348   4.154  -7.342
  701    HB2  ASN  91           1HB      ASN  91  -6.224   1.986  -7.337
  702    HB3  ASN  91           2HB      ASN  91  -5.135   3.246  -7.899
  703   HD21  ASN  91          1HD2      ASN  91  -4.740   0.566  -6.652
  704   HD22  ASN  91          2HD2      ASN  91  -3.672   0.843  -5.327
  705    HA   PRO  92           HA       PRO  92  -8.728   3.241  -2.947
  706    HB2  PRO  92           1HB      PRO  92 -11.220   4.556  -3.788
  707    HB3  PRO  92           2HB      PRO  92 -10.242   4.840  -2.347
  708    HG2  PRO  92           1HG      PRO  92 -10.404   6.618  -4.381
  709    HG3  PRO  92           2HG      PRO  92  -8.962   6.440  -3.368
  710    HD2  PRO  92           1HD      PRO  92  -9.479   5.427  -6.133
  711    HD3  PRO  92           2HD      PRO  92  -7.982   6.071  -5.432
  712    H    ALA  93           H        ALA  93 -10.397   3.339  -6.083
  713    HA   ALA  93           HA       ALA  93 -11.929   0.952  -5.447
  714    HB1  ALA  93           1HB      ALA  93 -13.004   2.773  -6.682
  715    HB2  ALA  93           2HB      ALA  93 -12.977   1.281  -7.619
  716    HB3  ALA  93           3HB      ALA  93 -11.838   2.574  -7.988
  717    H    ALA  94           H        ALA  94  -9.283   1.951  -7.558
  718    HA   ALA  94           HA       ALA  94  -9.069  -0.573  -8.891
  719    HB1  ALA  94           1HB      ALA  94  -7.228   1.804  -8.794
  720    HB2  ALA  94           2HB      ALA  94  -8.319   1.329 -10.090
  721    HB3  ALA  94           3HB      ALA  94  -6.896   0.349  -9.730
  722    H    ILE  95           H        ILE  95  -7.885   0.629  -5.846
  723    HA   ILE  95           HA       ILE  95  -5.786  -1.201  -5.512
  724    HB   ILE  95           HB       ILE  95  -6.469   0.567  -3.798
  725   HG12  ILE  95          1HG1      ILE  95  -5.422  -0.614  -2.021
  726   HG13  ILE  95          2HG1      ILE  95  -6.076  -2.162  -2.550
  727   HG21  ILE  95          1HG2      ILE  95  -8.340  -1.605  -2.879
  728   HG22  ILE  95          2HG2      ILE  95  -8.829  -0.072  -3.614
  729   HG23  ILE  95          3HG2      ILE  95  -8.013  -0.077  -2.051
  730   HD11  ILE  95          3HD1      ILE  95  -4.019  -0.585  -4.077
  731   HD12  ILE  95          1HD1      ILE  95  -4.569  -2.226  -4.400
  732   HD13  ILE  95          2HD1      ILE  95  -3.646  -1.879  -2.939
  733    H    LYS  96           H        LYS  96  -9.260  -1.502  -5.269
  734    HA   LYS  96           HA       LYS  96  -9.397  -4.096  -4.259
  735    HB2  LYS  96           1HB      LYS  96 -11.217  -2.378  -5.814
  736    HB3  LYS  96           2HB      LYS  96 -11.526  -4.105  -5.924
  737    HG2  LYS  96           1HG      LYS  96 -11.374  -2.496  -3.388
  738    HG3  LYS  96           2HG      LYS  96 -12.844  -3.094  -4.160
  739    HD2  LYS  96           1HD      LYS  96 -11.927  -5.415  -3.899
  740    HD3  LYS  96           2HD      LYS  96 -10.613  -4.721  -2.933
  741    HE2  LYS  96           1HE      LYS  96 -12.172  -3.929  -1.290
  742    HE3  LYS  96           2HE      LYS  96 -13.547  -4.379  -2.296
  743    HZ1  LYS  96           3HZ      LYS  96 -13.209  -5.990  -0.551
  744    HZ2  LYS  96           1HZ      LYS  96 -11.613  -6.255  -1.050
  745    HZ3  LYS  96           2HZ      LYS  96 -12.894  -6.706  -2.052
  746    H    GLN  97           H        GLN  97  -8.851  -2.956  -7.530
  747    HA   GLN  97           HA       GLN  97  -8.907  -5.352  -8.920
  748    HB2  GLN  97           1HB      GLN  97  -8.599  -3.169 -10.006
  749    HB3  GLN  97           2HB      GLN  97  -7.021  -3.001  -9.261
  750    HG2  GLN  97           1HG      GLN  97  -7.469  -5.387 -10.962
  751    HG3  GLN  97           2HG      GLN  97  -7.358  -3.823 -11.765
  752   HE21  GLN  97          1HE2      GLN  97  -5.645  -6.276 -10.022
  753   HE22  GLN  97          2HE2      GLN  97  -4.055  -5.620 -10.239
  754    H    ALA  98           H        ALA  98  -6.101  -3.830  -7.325
  755    HA   ALA  98           HA       ALA  98  -4.474  -6.160  -7.669
  756    HB1  ALA  98           1HB      ALA  98  -2.779  -4.952  -6.398
  757    HB2  ALA  98           2HB      ALA  98  -3.994  -3.792  -5.858
  758    HB3  ALA  98           3HB      ALA  98  -3.543  -3.862  -7.559
  759    H    ILE  99           H        ILE  99  -6.271  -4.806  -5.070
  760    HA   ILE  99           HA       ILE  99  -5.199  -6.345  -2.978
  761    HB   ILE  99           HB       ILE  99  -6.862  -4.146  -3.173
  762   HG12  ILE  99          1HG1      ILE  99  -5.243  -4.370  -1.452
  763   HG13  ILE  99          2HG1      ILE  99  -6.811  -4.216  -0.662
  764   HG21  ILE  99          1HG2      ILE  99  -8.864  -4.473  -2.053
  765   HG22  ILE  99          2HG2      ILE  99  -8.450  -6.138  -1.629
  766   HG23  ILE  99          3HG2      ILE  99  -8.806  -5.720  -3.305
  767   HD11  ILE  99          3HD1      ILE  99  -5.072  -6.616  -0.915
  768   HD12  ILE  99          1HD1      ILE  99  -6.817  -6.801  -0.728
  769   HD13  ILE  99          2HD1      ILE  99  -5.871  -5.951   0.520
  770    H    ALA 100           H        ALA 100  -8.026  -6.793  -5.003
  771    HA   ALA 100           HA       ALA 100  -8.874  -9.032  -3.380
  772    HB1  ALA 100           1HB      ALA 100 -10.194  -7.857  -5.827
  773    HB2  ALA 100           2HB      ALA 100 -10.579  -7.463  -4.151
  774    HB3  ALA 100           3HB      ALA 100 -10.880  -9.088  -4.766
  775    H    ALA 101           H        ALA 101  -7.685  -8.407  -6.661
  776    HA   ALA 101           HA       ALA 101  -8.097 -11.071  -7.571
  777    HB1  ALA 101           1HB      ALA 101  -6.285  -8.945  -8.700
  778    HB2  ALA 101           2HB      ALA 101  -7.983  -9.176  -9.111
  779    HB3  ALA 101           3HB      ALA 101  -6.800 -10.417  -9.522
  780    H    ASN 102           H        ASN 102  -5.342  -9.358  -6.159
  781    HA   ASN 102           HA       ASN 102  -3.625 -11.661  -6.662
  782    HB2  ASN 102           1HB      ASN 102  -3.045  -9.058  -5.249
  783    HB3  ASN 102           2HB      ASN 102  -1.859 -10.327  -5.540
  784   HD21  ASN 102          1HD2      ASN 102  -3.644  -7.745  -6.872
  785   HD22  ASN 102          2HD2      ASN 102  -2.915  -7.751  -8.446
  786    H    ALA 103           H        ALA 103  -4.496  -9.839  -3.724
  787    HA   ALA 103           HA       ALA 103  -3.901 -11.919  -1.928
  788    HB1  ALA 103           1HB      ALA 103  -4.792 -10.604  -0.285
  789    HB2  ALA 103           2HB      ALA 103  -6.118 -10.039  -1.298
  790    HB3  ALA 103           3HB      ALA 103  -4.501  -9.379  -1.525
  Start of MODEL    4
    1    H1   MET   1           1H       MET   1  -9.735   1.589  10.751
    2    H2   MET   1           2H       MET   1  -8.893   0.219  11.270
    3    H3   MET   1           3H       MET   1  -9.196   0.447   9.628
    4    HA   MET   1           HA       MET   1  -7.790   2.368   9.577
    5    HB2  MET   1           1HB      MET   1  -8.228   3.068  11.904
    6    HB3  MET   1           2HB      MET   1  -7.301   1.698  12.487
    7    HG2  MET   1           1HG      MET   1  -6.027   3.702  10.679
    8    HG3  MET   1           2HG      MET   1  -6.228   4.054  12.393
    9    HE1  MET   1           3HE      MET   1  -5.166   2.628  14.327
   10    HE2  MET   1           1HE      MET   1  -4.111   1.236  14.079
   11    HE3  MET   1           2HE      MET   1  -5.828   1.119  13.697
   12    H    VAL   2           H        VAL   2  -6.110   1.754   8.422
   13    HA   VAL   2           HA       VAL   2  -4.976  -0.910   8.776
   14    HB   VAL   2           HB       VAL   2  -4.404  -0.878   6.593
   15   HG11  VAL   2          1HG1      VAL   2  -6.765  -0.324   6.568
   16   HG12  VAL   2          2HG1      VAL   2  -5.939   0.418   5.195
   17   HG13  VAL   2          3HG1      VAL   2  -6.380   1.396   6.592
   18   HG21  VAL   2          3HG2      VAL   2  -2.787   1.010   7.122
   19   HG22  VAL   2          1HG2      VAL   2  -4.034   2.091   6.509
   20   HG23  VAL   2          2HG2      VAL   2  -3.336   0.851   5.456
   21    H    THR   3           H        THR   3  -2.796  -1.299   9.149
   22    HA   THR   3           HA       THR   3  -1.600   0.456  10.999
   23    HB   THR   3           HB       THR   3  -1.023  -2.183   9.826
   24    HG1  THR   3           1HG      THR   3  -0.600  -2.592  12.084
   25   HG21  THR   3          3HG2      THR   3   1.097  -1.021   9.380
   26   HG22  THR   3          1HG2      THR   3   1.270  -2.287  10.608
   27   HG23  THR   3          2HG2      THR   3   1.202  -0.593  11.098
   28    H    GLN   4           H        GLN   4   0.191   1.721  10.893
   29    HA   GLN   4           HA       GLN   4   1.347   2.183   8.232
   30    HB2  GLN   4           1HB      GLN   4   2.107   4.405   9.382
   31    HB3  GLN   4           2HB      GLN   4   0.471   4.248   8.765
   32    HG2  GLN   4           1HG      GLN   4   0.156   5.233  10.820
   33    HG3  GLN   4           2HG      GLN   4  -0.138   3.529  11.156
   34   HE21  GLN   4          1HE2      GLN   4   3.048   4.971  10.727
   35   HE22  GLN   4          2HE2      GLN   4   3.560   4.749  12.361
   36    H    PHE   5           H        PHE   5   3.368   1.598   7.940
   37    HA   PHE   5           HA       PHE   5   5.043   0.690  10.078
   38    HB2  PHE   5           1HB      PHE   5   5.647   1.221   7.165
   39    HB3  PHE   5           2HB      PHE   5   6.818   0.572   8.299
   40    HD1  PHE   5           2HD      PHE   5   4.919  -1.280   9.792
   41    HD2  PHE   5           1HD      PHE   5   5.552  -0.543   5.651
   42    HE1  PHE   5           2HE      PHE   5   4.155  -3.560   9.272
   43    HE2  PHE   5           1HE      PHE   5   4.798  -2.818   5.118
   44    HZ   PHE   5           HZ       PHE   5   4.093  -4.333   6.934
   45    H    LYS   6           H        LYS   6   7.239   1.579  10.418
   46    HA   LYS   6           HA       LYS   6   7.190   4.507  10.252
   47    HB2  LYS   6           1HB      LYS   6   8.462   4.500  12.398
   48    HB3  LYS   6           2HB      LYS   6   6.819   3.886  12.524
   49    HG2  LYS   6           1HG      LYS   6   7.677   1.601  12.479
   50    HG3  LYS   6           2HG      LYS   6   9.323   2.220  12.371
   51    HD2  LYS   6           1HD      LYS   6   8.847   1.613  14.660
   52    HD3  LYS   6           2HD      LYS   6   8.997   3.366  14.538
   53    HE2  LYS   6           1HE      LYS   6   6.566   3.580  14.516
   54    HE3  LYS   6           2HE      LYS   6   6.401   1.828  14.596
   55    HZ1  LYS   6           3HZ      LYS   6   6.111   2.837  16.763
   56    HZ2  LYS   6           1HZ      LYS   6   7.645   3.544  16.674
   57    HZ3  LYS   6           2HZ      LYS   6   7.490   1.863  16.751
   58    H    THR   7           H        THR   7   8.894   1.690   9.435
   59    HA   THR   7           HA       THR   7  11.141   3.341   8.572
   60    HB   THR   7           HB       THR   7  12.753   1.576   9.096
   61    HG1  THR   7           1HG      THR   7  11.679   0.048  10.815
   62   HG21  THR   7          3HG2      THR   7  11.126   2.510  11.459
   63   HG22  THR   7          1HG2      THR   7  12.491   3.346  10.723
   64   HG23  THR   7          2HG2      THR   7  12.742   1.817  11.562
   65    H    ALA   8           H        ALA   8  12.192   2.698   6.696
   66    HA   ALA   8           HA       ALA   8  10.738   1.352   4.714
   67    HB1  ALA   8           1HB      ALA   8  12.816   1.327   3.447
   68    HB2  ALA   8           2HB      ALA   8  13.738   1.675   4.907
   69    HB3  ALA   8           3HB      ALA   8  12.625   2.879   4.263
   70    H    SER   9           H        SER   9  12.956   0.265   7.175
   71    HA   SER   9           HA       SER   9  13.377  -2.370   6.310
   72    HB2  SER   9           1HB      SER   9  13.287  -1.360   9.160
   73    HB3  SER   9           2HB      SER   9  14.111  -2.806   8.579
   74    HG   SER   9           HG       SER   9  15.120  -0.998   7.103
   75    H    GLU  10           H        GLU  10  10.810  -0.895   8.301
   76    HA   GLU  10           HA       GLU  10   9.537  -3.310   9.046
   77    HB2  GLU  10           1HB      GLU  10   8.440  -0.534   8.620
   78    HB3  GLU  10           2HB      GLU  10   7.451  -1.863   9.203
   79    HG2  GLU  10           1HG      GLU  10   9.889  -0.731  10.549
   80    HG3  GLU  10           2HG      GLU  10   8.213  -0.481  11.033
   81    H    PHE  11           H        PHE  11   9.153  -1.218   6.257
   82    HA   PHE  11           HA       PHE  11   7.127  -2.687   4.958
   83    HB2  PHE  11           1HB      PHE  11   7.293  -0.606   4.065
   84    HB3  PHE  11           2HB      PHE  11   9.035  -0.525   4.278
   85    HD1  PHE  11           1HD      PHE  11   6.320  -1.557   2.056
   86    HD2  PHE  11           2HD      PHE  11  10.531  -1.251   2.540
   87    HE1  PHE  11           1HE      PHE  11   6.615  -1.906  -0.359
   88    HE2  PHE  11           2HE      PHE  11  10.837  -1.606   0.124
   89    HZ   PHE  11           HZ       PHE  11   8.877  -1.930  -1.328
   90    H    ASP  12           H        ASP  12  10.651  -2.714   4.612
   91    HA   ASP  12           HA       ASP  12  10.868  -4.549   2.532
   92    HB2  ASP  12           1HB      ASP  12  12.740  -3.190   3.285
   93    HB3  ASP  12           2HB      ASP  12  12.764  -4.034   4.829
   94    H    SER  13           H        SER  13  10.743  -5.124   6.022
   95    HA   SER  13           HA       SER  13  11.244  -7.911   5.804
   96    HB2  SER  13           1HB      SER  13   9.967  -6.394   8.091
   97    HB3  SER  13           2HB      SER  13  10.696  -7.999   8.178
   98    HG   SER  13           HG       SER  13  11.878  -5.531   8.234
   99    H    ALA  14           H        ALA  14   8.286  -5.989   5.923
  100    HA   ALA  14           HA       ALA  14   6.515  -8.189   6.211
  101    HB1  ALA  14           1HB      ALA  14   4.788  -6.615   5.327
  102    HB2  ALA  14           2HB      ALA  14   6.075  -5.436   5.063
  103    HB3  ALA  14           3HB      ALA  14   5.703  -5.982   6.699
  104    H    ILE  15           H        ILE  15   7.566  -6.319   3.395
  105    HA   ILE  15           HA       ILE  15   6.016  -7.728   1.528
  106    HB   ILE  15           HB       ILE  15   7.368  -6.636  -0.178
  107   HG12  ILE  15          1HG1      ILE  15   9.035  -5.454   2.031
  108   HG13  ILE  15          2HG1      ILE  15   9.521  -6.921   1.194
  109   HG21  ILE  15          1HG2      ILE  15   6.908  -4.323   0.471
  110   HG22  ILE  15          2HG2      ILE  15   6.718  -4.828   2.150
  111   HG23  ILE  15          3HG2      ILE  15   5.578  -5.389   0.927
  112   HD11  ILE  15          3HD1      ILE  15  10.606  -4.958   0.270
  113   HD12  ILE  15          1HD1      ILE  15   9.033  -4.245  -0.081
  114   HD13  ILE  15          2HD1      ILE  15   9.542  -5.713  -0.916
  115    H    ALA  16           H        ALA  16   9.052  -8.515   3.018
  116    HA   ALA  16           HA       ALA  16   9.917 -10.294   0.918
  117    HB1  ALA  16           1HB      ALA  16  11.506  -9.183   2.439
  118    HB2  ALA  16           2HB      ALA  16  11.680 -10.939   2.433
  119    HB3  ALA  16           3HB      ALA  16  10.857 -10.141   3.772
  120    H    GLN  17           H        GLN  17   7.516 -10.513   3.187
  121    HA   GLN  17           HA       GLN  17   7.864 -13.304   3.806
  122    HB2  GLN  17           1HB      GLN  17   5.602 -11.379   4.354
  123    HB3  GLN  17           2HB      GLN  17   5.591 -13.063   4.862
  124    HG2  GLN  17           1HG      GLN  17   7.658 -12.641   6.153
  125    HG3  GLN  17           2HG      GLN  17   7.538 -10.937   5.717
  126   HE21  GLN  17          1HE2      GLN  17   4.653 -10.865   5.901
  127   HE22  GLN  17          2HE2      GLN  17   4.263 -10.926   7.583
  128    H    ASP  18           H        ASP  18   6.167 -14.893   3.303
  129    HA   ASP  18           HA       ASP  18   5.752 -14.925   0.464
  130    HB2  ASP  18           1HB      ASP  18   4.941 -16.924   2.587
  131    HB3  ASP  18           2HB      ASP  18   4.868 -17.200   0.851
  132    H    LYS  19           H        LYS  19   4.190 -13.115   2.321
  133    HA   LYS  19           HA       LYS  19   1.468 -13.908   1.649
  134    HB2  LYS  19           1HB      LYS  19   2.639 -12.180   3.768
  135    HB3  LYS  19           2HB      LYS  19   0.948 -12.053   3.289
  136    HG2  LYS  19           1HG      LYS  19   0.793 -14.491   3.602
  137    HG3  LYS  19           2HG      LYS  19   2.361 -14.432   4.411
  138    HD2  LYS  19           1HD      LYS  19   0.733 -14.310   6.134
  139    HD3  LYS  19           2HD      LYS  19   1.345 -12.667   5.923
  140    HE2  LYS  19           1HE      LYS  19  -0.607 -12.319   4.331
  141    HE3  LYS  19           2HE      LYS  19  -1.255 -13.826   4.973
  142    HZ1  LYS  19           3HZ      LYS  19  -0.681 -11.349   6.506
  143    HZ2  LYS  19           1HZ      LYS  19  -1.131 -12.826   7.210
  144    HZ3  LYS  19           2HZ      LYS  19  -2.201 -12.024   6.178
  145    H    LEU  20           H        LEU  20   0.008 -12.060   1.448
  146    HA   LEU  20           HA       LEU  20   1.021 -10.227  -0.603
  147    HB2  LEU  20           1HB      LEU  20  -1.148 -11.525  -0.854
  148    HB3  LEU  20           2HB      LEU  20  -1.817 -10.522   0.411
  149    HG   LEU  20           HG       LEU  20  -2.570  -9.744  -1.743
  150   HD11  LEU  20          1HD1      LEU  20  -0.560  -7.835  -0.588
  151   HD12  LEU  20          2HD1      LEU  20  -2.250  -8.008  -0.115
  152   HD13  LEU  20          3HD1      LEU  20  -1.844  -7.413  -1.722
  153   HD21  LEU  20          3HD2      LEU  20  -1.114  -8.967  -3.481
  154   HD22  LEU  20          1HD2      LEU  20  -0.711 -10.638  -3.083
  155   HD23  LEU  20          2HD2      LEU  20   0.309  -9.322  -2.497
  156    H    VAL  21           H        VAL  21   2.023  -8.515   0.236
  157    HA   VAL  21           HA       VAL  21   0.810  -7.228   2.590
  158    HB   VAL  21           HB       VAL  21   3.638  -7.044   1.518
  159   HG11  VAL  21          1HG1      VAL  21   2.914  -4.842   2.281
  160   HG12  VAL  21          2HG1      VAL  21   4.107  -5.535   3.388
  161   HG13  VAL  21          3HG1      VAL  21   2.391  -5.535   3.816
  162   HG21  VAL  21          3HG2      VAL  21   2.529  -8.045   4.140
  163   HG22  VAL  21          1HG2      VAL  21   4.229  -8.013   3.672
  164   HG23  VAL  21          2HG2      VAL  21   3.097  -9.056   2.810
  165    H    VAL  22           H        VAL  22  -0.462  -5.571   2.174
  166    HA   VAL  22           HA       VAL  22  -0.097  -3.986  -0.248
  167    HB   VAL  22           HB       VAL  22  -2.202  -3.627   1.890
  168   HG11  VAL  22          1HG1      VAL  22  -3.484  -2.601  -0.000
  169   HG12  VAL  22          2HG1      VAL  22  -2.011  -2.679  -0.972
  170   HG13  VAL  22          3HG1      VAL  22  -2.051  -1.705   0.496
  171   HG21  VAL  22          3HG2      VAL  22  -3.709  -4.929   0.406
  172   HG22  VAL  22          1HG2      VAL  22  -2.415  -5.884   1.126
  173   HG23  VAL  22          2HG2      VAL  22  -2.305  -5.384  -0.557
  174    H    VAL  23           H        VAL  23   1.612  -2.596   0.081
  175    HA   VAL  23           HA       VAL  23   1.480  -0.829   2.437
  176    HB   VAL  23           HB       VAL  23   3.761  -1.549   0.588
  177   HG11  VAL  23          1HG1      VAL  23   3.796   0.887   1.037
  178   HG12  VAL  23          2HG1      VAL  23   5.159   0.038   1.763
  179   HG13  VAL  23          3HG1      VAL  23   3.800   0.535   2.765
  180   HG21  VAL  23          3HG2      VAL  23   3.585  -1.690   3.587
  181   HG22  VAL  23          1HG2      VAL  23   4.772  -2.453   2.534
  182   HG23  VAL  23          2HG2      VAL  23   3.103  -3.015   2.534
  183    H    ALA  24           H        ALA  24   1.213   1.358   2.178
  184    HA   ALA  24           HA       ALA  24   1.050   2.422  -0.554
  185    HB1  ALA  24           1HB      ALA  24  -0.914   3.629  -0.095
  186    HB2  ALA  24           2HB      ALA  24  -0.847   3.195   1.608
  187    HB3  ALA  24           3HB      ALA  24  -1.204   1.965   0.405
  188    H    PHE  25           H        PHE  25   1.828   4.389  -0.903
  189    HA   PHE  25           HA       PHE  25   3.102   5.699   1.367
  190    HB2  PHE  25           1HB      PHE  25   3.355   6.026  -1.609
  191    HB3  PHE  25           2HB      PHE  25   4.167   7.092  -0.453
  192    HD1  PHE  25           1HD      PHE  25   5.410   5.735   1.491
  193    HD2  PHE  25           2HD      PHE  25   4.571   4.247  -2.404
  194    HE1  PHE  25           1HE      PHE  25   7.195   4.067   1.748
  195    HE2  PHE  25           2HE      PHE  25   6.373   2.583  -2.159
  196    HZ   PHE  25           HZ       PHE  25   7.679   2.490  -0.078
  197    H    TYR  26           H        TYR  26   2.267   7.331   2.341
  198    HA   TYR  26           HA       TYR  26  -0.033   8.783   1.180
  199    HB2  TYR  26           1HB      TYR  26   0.439   7.479   3.787
  200    HB3  TYR  26           2HB      TYR  26  -0.225   9.100   3.897
  201    HD1  TYR  26           2HD      TYR  26  -0.958   6.428   1.395
  202    HD2  TYR  26           1HD      TYR  26  -2.349   8.786   4.648
  203    HE1  TYR  26           2HE      TYR  26  -3.222   5.511   1.095
  204    HE2  TYR  26           1HE      TYR  26  -4.605   7.872   4.365
  205    HH   TYR  26           HH       TYR  26  -5.944   6.840   2.549
  206    H    ALA  27           H        ALA  27  -0.378  10.808   2.724
  207    HA   ALA  27           HA       ALA  27   1.954  11.909   3.933
  208    HB1  ALA  27           1HB      ALA  27   2.134  13.900   2.507
  209    HB2  ALA  27           2HB      ALA  27   0.909  13.239   1.423
  210    HB3  ALA  27           3HB      ALA  27   2.467  12.429   1.592
  211    H    THR  28           H        THR  28   1.444  14.113   4.817
  212    HA   THR  28           HA       THR  28  -1.256  14.132   5.846
  213    HB   THR  28           HB       THR  28  -0.281  16.212   7.076
  214    HG1  THR  28           1HG      THR  28   1.856  16.497   6.908
  215   HG21  THR  28          3HG2      THR  28   0.780  14.758   8.739
  216   HG22  THR  28          1HG2      THR  28   0.842  13.448   7.562
  217   HG23  THR  28          2HG2      THR  28  -0.714  14.040   8.139
  218    H    TRP  29           H        TRP  29   0.148  15.320   3.120
  219    HA   TRP  29           HA       TRP  29  -1.584  17.690   3.038
  220    HB2  TRP  29           1HB      TRP  29   0.187  18.671   1.512
  221    HB3  TRP  29           2HB      TRP  29   0.622  18.523   3.212
  222    HD1  TRP  29           HD       TRP  29   1.110  16.545  -0.065
  223    HE1  TRP  29           1HE      TRP  29   3.423  15.397   0.013
  224    HE3  TRP  29           3HE      TRP  29   2.523  17.934   4.633
  225    HZ2  TRP  29           2HZ      TRP  29   5.556  15.129   1.844
  226    HZ3  TRP  29           3HZ      TRP  29   4.712  17.193   5.478
  227    HH2  TRP  29           HH       TRP  29   6.195  15.819   4.112
  228    H    CYS  30           H        CYS  30  -2.308  15.061   2.129
  229    HA   CYS  30           HA       CYS  30  -2.647  15.680  -0.719
  230    HB2  CYS  30           1HB      CYS  30  -2.518  13.190  -1.159
  231    HB3  CYS  30           2HB      CYS  30  -0.999  13.991  -0.771
  232    H    GLY  31           H        GLY  31  -4.658  15.861  -1.232
  233    HA2  GLY  31           1HA      GLY  31  -6.849  15.124   0.368
  234    HA3  GLY  31           2HA      GLY  31  -6.922  15.611  -1.316
  235    HA   PRO  32           HA       PRO  32  -7.457  11.452  -2.867
  236    HB2  PRO  32           1HB      PRO  32  -4.583  10.727  -3.134
  237    HB3  PRO  32           2HB      PRO  32  -5.884  10.626  -4.324
  238    HG2  PRO  32           1HG      PRO  32  -4.074  12.536  -4.518
  239    HG3  PRO  32           2HG      PRO  32  -5.787  12.902  -4.805
  240    HD2  PRO  32           1HD      PRO  32  -4.120  13.428  -2.367
  241    HD3  PRO  32           2HD      PRO  32  -5.296  14.487  -3.160
  242    H    CYS  33           H        CYS  33  -4.580  11.371  -0.783
  243    HA   CYS  33           HA       CYS  33  -4.782   8.785   0.205
  244    HB2  CYS  33           1HB      CYS  33  -3.945  11.147   1.880
  245    HB3  CYS  33           2HB      CYS  33  -3.349   9.492   1.960
  246    H    LYS  34           H        LYS  34  -6.388  11.720   1.274
  247    HA   LYS  34           HA       LYS  34  -7.520  10.675   3.617
  248    HB2  LYS  34           1HB      LYS  34  -7.335  13.059   3.200
  249    HB3  LYS  34           2HB      LYS  34  -8.422  12.930   1.827
  250    HG2  LYS  34           1HG      LYS  34 -10.260  12.364   3.284
  251    HG3  LYS  34           2HG      LYS  34  -9.182  12.356   4.682
  252    HD2  LYS  34           1HD      LYS  34 -10.485  14.444   4.499
  253    HD3  LYS  34           2HD      LYS  34  -8.744  14.719   4.405
  254    HE2  LYS  34           1HE      LYS  34  -8.910  14.824   1.955
  255    HE3  LYS  34           2HE      LYS  34 -10.651  14.586   2.071
  256    HZ1  LYS  34           3HZ      LYS  34  -9.180  16.867   3.266
  257    HZ2  LYS  34           1HZ      LYS  34 -10.858  16.660   3.223
  258    HZ3  LYS  34           2HZ      LYS  34 -10.000  16.924   1.790
  259    H    MET  35           H        MET  35  -9.018  11.149   0.396
  260    HA   MET  35           HA       MET  35 -11.520  10.129   1.139
  261    HB2  MET  35           1HB      MET  35 -11.956   9.932  -1.298
  262    HB3  MET  35           2HB      MET  35 -11.344  11.503  -0.805
  263    HG2  MET  35           1HG      MET  35  -9.096  10.811  -1.548
  264    HG3  MET  35           2HG      MET  35  -9.790   9.298  -2.119
  265    HE1  MET  35           3HE      MET  35  -9.697  13.188  -2.544
  266    HE2  MET  35           1HE      MET  35 -11.417  12.891  -2.300
  267    HE3  MET  35           2HE      MET  35 -10.832  13.440  -3.868
  268    H    ILE  36           H        ILE  36  -8.819   8.430  -0.496
  269    HA   ILE  36           HA       ILE  36 -10.374   6.021  -0.535
  270    HB   ILE  36           HB       ILE  36  -8.933   5.266  -2.018
  271   HG12  ILE  36          1HG1      ILE  36  -7.630   4.547   0.101
  272   HG13  ILE  36          2HG1      ILE  36  -6.859   4.420  -1.462
  273   HG21  ILE  36          1HG2      ILE  36  -7.332   7.764  -1.544
  274   HG22  ILE  36          2HG2      ILE  36  -8.685   7.581  -2.660
  275   HG23  ILE  36          3HG2      ILE  36  -7.187   6.692  -2.937
  276   HD11  ILE  36          3HD1      ILE  36  -5.366   5.266   0.260
  277   HD12  ILE  36          1HD1      ILE  36  -6.450   6.632   0.534
  278   HD13  ILE  36          2HD1      ILE  36  -5.618   6.464  -1.017
  279    H    ALA  37           H        ALA  37  -8.575   7.625   1.829
  280    HA   ALA  37           HA       ALA  37  -7.438   5.505   3.230
  281    HB1  ALA  37           1HB      ALA  37  -8.545   8.025   4.447
  282    HB2  ALA  37           2HB      ALA  37  -6.964   7.876   3.668
  283    HB3  ALA  37           3HB      ALA  37  -7.322   6.955   5.137
  284    HA   PRO  38           HA       PRO  38 -11.626   4.785   5.527
  285    HB2  PRO  38           1HB      PRO  38 -13.841   5.847   4.297
  286    HB3  PRO  38           2HB      PRO  38 -13.056   6.547   5.717
  287    HG2  PRO  38           1HG      PRO  38 -12.785   7.294   2.839
  288    HG3  PRO  38           2HG      PRO  38 -12.881   8.340   4.268
  289    HD2  PRO  38           1HD      PRO  38 -10.545   7.826   3.055
  290    HD3  PRO  38           2HD      PRO  38 -10.662   8.016   4.816
  291    H    MET  39           H        MET  39 -11.600   5.294   1.979
  292    HA   MET  39           HA       MET  39 -13.320   3.098   1.436
  293    HB2  MET  39           1HB      MET  39 -11.197   4.293  -0.337
  294    HB3  MET  39           2HB      MET  39 -12.447   3.183  -0.869
  295    HG2  MET  39           1HG      MET  39 -12.845   5.962   0.214
  296    HG3  MET  39           2HG      MET  39 -13.057   5.432  -1.454
  297    HE1  MET  39           3HE      MET  39 -15.460   6.521  -1.535
  298    HE2  MET  39           1HE      MET  39 -15.284   7.077   0.131
  299    HE3  MET  39           2HE      MET  39 -16.731   6.194  -0.357
  300    H    ILE  40           H        ILE  40  -9.726   3.173   1.049
  301    HA   ILE  40           HA       ILE  40  -9.558   0.383   0.810
  302    HB   ILE  40           HB       ILE  40  -7.489   2.470   1.539
  303   HG12  ILE  40          1HG1      ILE  40  -8.039   0.786  -0.914
  304   HG13  ILE  40          2HG1      ILE  40  -8.407   2.494  -0.732
  305   HG21  ILE  40          1HG2      ILE  40  -6.903   0.319   2.586
  306   HG22  ILE  40          2HG2      ILE  40  -5.791   0.777   1.294
  307   HG23  ILE  40          3HG2      ILE  40  -7.016  -0.464   1.007
  308   HD11  ILE  40          3HD1      ILE  40  -6.008   2.932  -0.465
  309   HD12  ILE  40          1HD1      ILE  40  -6.435   2.247  -2.033
  310   HD13  ILE  40          2HD1      ILE  40  -5.690   1.229  -0.798
  311    H    GLU  41           H        GLU  41  -9.817   2.423   3.627
  312    HA   GLU  41           HA       GLU  41  -9.130   0.511   5.574
  313    HB2  GLU  41           1HB      GLU  41  -9.554   2.888   6.100
  314    HB3  GLU  41           2HB      GLU  41 -11.262   2.647   5.756
  315    HG2  GLU  41           1HG      GLU  41 -11.373   1.005   7.582
  316    HG3  GLU  41           2HG      GLU  41  -9.681   1.330   7.949
  317    H    LYS  42           H        LYS  42 -12.205   1.136   3.877
  318    HA   LYS  42           HA       LYS  42 -13.596  -0.921   5.202
  319    HB2  LYS  42           1HB      LYS  42 -14.797   0.759   3.910
  320    HB3  LYS  42           2HB      LYS  42 -13.990   0.236   2.436
  321    HG2  LYS  42           1HG      LYS  42 -15.101  -2.087   3.228
  322    HG3  LYS  42           2HG      LYS  42 -16.276  -0.935   3.867
  323    HD2  LYS  42           1HD      LYS  42 -15.279  -0.977   1.030
  324    HD3  LYS  42           2HD      LYS  42 -16.789  -1.714   1.568
  325    HE2  LYS  42           1HE      LYS  42 -17.508   0.527   2.390
  326    HE3  LYS  42           2HE      LYS  42 -16.055   1.207   1.659
  327    HZ1  LYS  42           3HZ      LYS  42 -16.807   0.457  -0.492
  328    HZ2  LYS  42           1HZ      LYS  42 -17.997   1.422   0.224
  329    HZ3  LYS  42           2HZ      LYS  42 -18.177  -0.258   0.192
  330    H    PHE  43           H        PHE  43 -11.589  -0.823   2.348
  331    HA   PHE  43           HA       PHE  43 -12.002  -3.522   1.703
  332    HB2  PHE  43           1HB      PHE  43  -9.811  -1.659   0.878
  333    HB3  PHE  43           2HB      PHE  43 -10.006  -3.307   0.285
  334    HD1  PHE  43           1HD      PHE  43 -13.198  -2.175   0.906
  335    HD2  PHE  43           2HD      PHE  43  -9.996  -1.686  -1.866
  336    HE1  PHE  43           1HE      PHE  43 -14.787  -1.382  -0.806
  337    HE2  PHE  43           2HE      PHE  43 -11.585  -0.899  -3.569
  338    HZ   PHE  43           HZ       PHE  43 -13.982  -0.746  -3.040
  339    H    SER  44           H        SER  44  -9.974  -1.992   4.076
  340    HA   SER  44           HA       SER  44  -8.232  -4.260   4.307
  341    HB2  SER  44           1HB      SER  44  -7.790  -3.146   6.648
  342    HB3  SER  44           2HB      SER  44  -7.133  -2.413   5.188
  343    HG   SER  44           HG       SER  44  -9.674  -1.629   6.044
  344    H    GLU  45           H        GLU  45 -11.395  -3.475   5.203
  345    HA   GLU  45           HA       GLU  45 -11.554  -5.553   7.240
  346    HB2  GLU  45           1HB      GLU  45 -13.048  -3.481   7.151
  347    HB3  GLU  45           2HB      GLU  45 -13.847  -4.231   5.778
  348    HG2  GLU  45           1HG      GLU  45 -15.179  -4.707   7.648
  349    HG3  GLU  45           2HG      GLU  45 -14.317  -6.199   7.277
  350    H    GLN  46           H        GLN  46 -11.776  -5.155   3.837
  351    HA   GLN  46           HA       GLN  46 -13.226  -7.569   3.330
  352    HB2  GLN  46           1HB      GLN  46 -11.702  -5.924   1.333
  353    HB3  GLN  46           2HB      GLN  46 -12.963  -7.100   0.994
  354    HG2  GLN  46           1HG      GLN  46 -14.527  -5.609   2.297
  355    HG3  GLN  46           2HG      GLN  46 -13.248  -4.406   2.291
  356   HE21  GLN  46          1HE2      GLN  46 -15.898  -4.297   1.096
  357   HE22  GLN  46          2HE2      GLN  46 -15.657  -4.029  -0.597
  358    H    TYR  47           H        TYR  47  -9.821  -6.715   3.323
  359    HA   TYR  47           HA       TYR  47  -9.306  -9.524   2.676
  360    HB2  TYR  47           1HB      TYR  47  -6.882  -8.847   2.314
  361    HB3  TYR  47           2HB      TYR  47  -8.061  -8.515   1.069
  362    HD1  TYR  47           1HD      TYR  47  -8.892  -6.235   0.789
  363    HD2  TYR  47           2HD      TYR  47  -5.540  -7.066   3.281
  364    HE1  TYR  47           1HE      TYR  47  -8.148  -3.890   0.574
  365    HE2  TYR  47           2HE      TYR  47  -4.807  -4.745   3.071
  366    HH   TYR  47           HH       TYR  47  -6.799  -2.287   1.759
  367    HA   PRO  48           HA       PRO  48  -7.874  -9.749   6.941
  368    HB2  PRO  48           1HB      PRO  48  -9.153 -12.307   7.089
  369    HB3  PRO  48           2HB      PRO  48  -9.609 -10.818   7.920
  370    HG2  PRO  48           1HG      PRO  48 -11.115 -12.040   5.959
  371    HG3  PRO  48           2HG      PRO  48 -11.231 -10.327   6.396
  372    HD2  PRO  48           1HD      PRO  48  -9.772 -11.611   4.117
  373    HD3  PRO  48           2HD      PRO  48 -10.704 -10.096   4.154
  374    H    GLN  49           H        GLN  49  -7.639 -11.586   4.064
  375    HA   GLN  49           HA       GLN  49  -5.702 -13.485   5.106
  376    HB2  GLN  49           1HB      GLN  49  -5.626 -14.382   2.860
  377    HB3  GLN  49           2HB      GLN  49  -7.302 -14.171   3.337
  378    HG2  GLN  49           1HG      GLN  49  -7.673 -12.503   1.841
  379    HG3  GLN  49           2HG      GLN  49  -6.005 -11.938   1.890
  380   HE21  GLN  49          1HE2      GLN  49  -4.448 -13.010   0.670
  381   HE22  GLN  49          2HE2      GLN  49  -4.874 -13.970  -0.701
  382    H    ALA  50           H        ALA  50  -5.785 -10.425   3.655
  383    HA   ALA  50           HA       ALA  50  -2.937 -10.542   2.983
  384    HB1  ALA  50           1HB      ALA  50  -4.365 -10.169   1.021
  385    HB2  ALA  50           2HB      ALA  50  -3.376  -8.751   1.372
  386    HB3  ALA  50           3HB      ALA  50  -5.083  -8.766   1.810
  387    H    ASP  51           H        ASP  51  -1.699  -8.723   3.585
  388    HA   ASP  51           HA       ASP  51  -2.764  -7.602   6.039
  389    HB2  ASP  51           1HB      ASP  51  -0.013  -8.029   4.973
  390    HB3  ASP  51           2HB      ASP  51  -0.258  -6.778   6.188
  391    H    PHE  52           H        PHE  52  -3.651  -5.750   6.081
  392    HA   PHE  52           HA       PHE  52  -3.224  -3.839   3.967
  393    HB2  PHE  52           1HB      PHE  52  -4.939  -2.511   5.408
  394    HB3  PHE  52           2HB      PHE  52  -5.475  -3.899   4.476
  395    HD1  PHE  52           1HD      PHE  52  -5.807  -6.102   5.703
  396    HD2  PHE  52           2HD      PHE  52  -5.238  -2.388   7.684
  397    HE1  PHE  52           1HE      PHE  52  -6.850  -7.022   7.731
  398    HE2  PHE  52           2HE      PHE  52  -6.272  -3.301   9.707
  399    HZ   PHE  52           HZ       PHE  52  -7.073  -5.626   9.741
  400    H    TYR  53           H        TYR  53  -1.480  -2.502   4.124
  401    HA   TYR  53           HA       TYR  53  -1.343  -0.976   6.648
  402    HB2  TYR  53           1HB      TYR  53   1.091  -1.492   4.911
  403    HB3  TYR  53           2HB      TYR  53   1.033  -0.834   6.554
  404    HD1  TYR  53           1HD      TYR  53   0.234  -2.379   8.403
  405    HD2  TYR  53           2HD      TYR  53   1.488  -3.792   4.605
  406    HE1  TYR  53           1HE      TYR  53   0.663  -4.581   9.383
  407    HE2  TYR  53           2HE      TYR  53   1.916  -6.015   5.577
  408    HH   TYR  53           HH       TYR  53   2.326  -7.067   7.661
  409    H    LYS  54           H        LYS  54  -0.402   1.204   6.350
  410    HA   LYS  54           HA       LYS  54  -0.179   2.239   3.653
  411    HB2  LYS  54           1HB      LYS  54  -2.606   2.638   5.181
  412    HB3  LYS  54           2HB      LYS  54  -1.809   4.178   4.887
  413    HG2  LYS  54           1HG      LYS  54  -2.062   4.042   2.625
  414    HG3  LYS  54           2HG      LYS  54  -2.117   2.282   2.621
  415    HD2  LYS  54           1HD      LYS  54  -4.333   4.010   3.704
  416    HD3  LYS  54           2HD      LYS  54  -4.262   3.462   2.023
  417    HE2  LYS  54           1HE      LYS  54  -4.583   1.822   4.512
  418    HE3  LYS  54           2HE      LYS  54  -5.647   1.931   3.123
  419    HZ1  LYS  54           3HZ      LYS  54  -2.954   0.669   3.178
  420    HZ2  LYS  54           1HZ      LYS  54  -3.905   0.858   1.789
  421    HZ3  LYS  54           2HZ      LYS  54  -4.442  -0.128   3.050
  422    H    LEU  55           H        LEU  55   1.553   3.534   3.628
  423    HA   LEU  55           HA       LEU  55   2.648   4.286   6.253
  424    HB2  LEU  55           1HB      LEU  55   4.085   4.393   3.639
  425    HB3  LEU  55           2HB      LEU  55   4.761   4.394   5.254
  426    HG   LEU  55           HG       LEU  55   3.664   2.123   3.690
  427   HD11  LEU  55          1HD1      LEU  55   6.054   2.711   3.710
  428   HD12  LEU  55          2HD1      LEU  55   5.731   1.109   4.375
  429   HD13  LEU  55          3HD1      LEU  55   6.050   2.468   5.456
  430   HD21  LEU  55          3HD2      LEU  55   2.439   2.006   5.775
  431   HD22  LEU  55          1HD2      LEU  55   3.941   2.214   6.673
  432   HD23  LEU  55          2HD2      LEU  55   3.681   0.751   5.723
  433    H    ASP  56           H        ASP  56   3.691   6.373   6.506
  434    HA   ASP  56           HA       ASP  56   2.548   8.444   4.765
  435    HB2  ASP  56           1HB      ASP  56   3.226  10.014   6.566
  436    HB3  ASP  56           2HB      ASP  56   2.050   8.826   7.092
  437    H    VAL  57           H        VAL  57   3.774   9.259   3.271
  438    HA   VAL  57           HA       VAL  57   6.382   8.364   2.769
  439    HB   VAL  57           HB       VAL  57   4.404   9.505   1.327
  440   HG11  VAL  57          1HG1      VAL  57   4.958  11.762   2.230
  441   HG12  VAL  57          2HG1      VAL  57   5.016  11.644   0.468
  442   HG13  VAL  57          3HG1      VAL  57   6.513  11.651   1.400
  443   HG21  VAL  57          3HG2      VAL  57   5.997   9.535  -0.549
  444   HG22  VAL  57          1HG2      VAL  57   6.077   8.074   0.436
  445   HG23  VAL  57          2HG2      VAL  57   7.310   9.325   0.610
  446    H    ASP  58           H        ASP  58   5.294  10.782   4.851
  447    HA   ASP  58           HA       ASP  58   7.436  12.631   4.652
  448    HB2  ASP  58           1HB      ASP  58   5.333  13.268   5.646
  449    HB3  ASP  58           2HB      ASP  58   5.497  12.032   6.887
  450    H    GLU  59           H        GLU  59   6.813   9.777   6.625
  451    HA   GLU  59           HA       GLU  59   9.534   9.857   7.678
  452    HB2  GLU  59           1HB      GLU  59   7.145   8.112   8.192
  453    HB3  GLU  59           2HB      GLU  59   8.750   7.624   8.720
  454    HG2  GLU  59           1HG      GLU  59   7.450  10.225   9.476
  455    HG3  GLU  59           2HG      GLU  59   7.385   8.759  10.456
  456    H    LEU  60           H        LEU  60   7.607   8.240   5.283
  457    HA   LEU  60           HA       LEU  60   9.820   6.402   4.718
  458    HB2  LEU  60           1HB      LEU  60   6.871   6.204   4.148
  459    HB3  LEU  60           2HB      LEU  60   8.053   5.165   3.368
  460    HG   LEU  60           HG       LEU  60   7.210   3.900   5.151
  461   HD11  LEU  60          1HD1      LEU  60   9.673   3.886   4.971
  462   HD12  LEU  60          2HD1      LEU  60   9.085   3.526   6.597
  463   HD13  LEU  60          3HD1      LEU  60   9.736   5.122   6.231
  464   HD21  LEU  60          3HD2      LEU  60   6.065   5.688   6.353
  465   HD22  LEU  60          1HD2      LEU  60   7.612   6.271   6.965
  466   HD23  LEU  60          2HD2      LEU  60   7.014   4.685   7.449
  467    H    GLY  61           H        GLY  61  10.322   8.865   3.791
  468    HA2  GLY  61           1HA      GLY  61   9.341   9.227   1.113
  469    HA3  GLY  61           2HA      GLY  61  10.599  10.166   1.897
  470    H    ASP  62           H        ASP  62  12.339   8.064   2.575
  471    HA   ASP  62           HA       ASP  62  13.768   7.869   0.139
  472    HB2  ASP  62           1HB      ASP  62  14.185   6.586   2.832
  473    HB3  ASP  62           2HB      ASP  62  15.262   6.299   1.472
  474    H    VAL  63           H        VAL  63  11.924   5.498   2.029
  475    HA   VAL  63           HA       VAL  63  12.443   3.304   0.335
  476    HB   VAL  63           HB       VAL  63  11.531   2.885   2.538
  477   HG11  VAL  63          1HG1      VAL  63   9.085   4.335   1.624
  478   HG12  VAL  63          2HG1      VAL  63  10.231   4.867   2.854
  479   HG13  VAL  63          3HG1      VAL  63   9.250   3.423   3.127
  480   HG21  VAL  63          3HG2      VAL  63   9.638   1.412   1.967
  481   HG22  VAL  63          1HG2      VAL  63  11.011   1.225   0.873
  482   HG23  VAL  63          2HG2      VAL  63   9.597   2.149   0.365
  483    H    ALA  64           H        ALA  64   9.932   5.777   0.311
  484    HA   ALA  64           HA       ALA  64   8.427   4.853  -1.839
  485    HB1  ALA  64           1HB      ALA  64   7.728   6.699  -0.414
  486    HB2  ALA  64           2HB      ALA  64   7.706   7.174  -2.112
  487    HB3  ALA  64           3HB      ALA  64   9.023   7.705  -1.063
  488    H    GLN  65           H        GLN  65  11.422   6.720  -1.788
  489    HA   GLN  65           HA       GLN  65  11.412   7.300  -4.579
  490    HB2  GLN  65           1HB      GLN  65  13.672   7.351  -2.571
  491    HB3  GLN  65           2HB      GLN  65  13.752   8.014  -4.199
  492    HG2  GLN  65           1HG      GLN  65  11.901   8.925  -2.009
  493    HG3  GLN  65           2HG      GLN  65  13.366   9.745  -2.535
  494   HE21  GLN  65          1HE2      GLN  65  12.911   9.188  -5.345
  495   HE22  GLN  65          2HE2      GLN  65  11.630  10.233  -5.850
  496    H    LYS  66           H        LYS  66  12.687   4.744  -2.584
  497    HA   LYS  66           HA       LYS  66  14.373   3.465  -4.366
  498    HB2  LYS  66           1HB      LYS  66  12.580   2.336  -2.224
  499    HB3  LYS  66           2HB      LYS  66  13.868   1.445  -3.011
  500    HG2  LYS  66           1HG      LYS  66  15.482   3.108  -2.130
  501    HG3  LYS  66           2HG      LYS  66  14.143   3.858  -1.258
  502    HD2  LYS  66           1HD      LYS  66  13.741   1.723  -0.090
  503    HD3  LYS  66           2HD      LYS  66  15.137   1.031  -0.917
  504    HE2  LYS  66           1HE      LYS  66  15.210   3.416   0.928
  505    HE3  LYS  66           2HE      LYS  66  15.664   1.773   1.374
  506    HZ1  LYS  66           3HZ      LYS  66  17.403   1.862  -0.333
  507    HZ2  LYS  66           1HZ      LYS  66  17.609   3.063   0.842
  508    HZ3  LYS  66           2HZ      LYS  66  16.988   3.465  -0.675
  509    H    ASN  67           H        ASN  67  10.911   3.251  -3.886
  510    HA   ASN  67           HA       ASN  67  10.674   1.208  -5.951
  511    HB2  ASN  67           1HB      ASN  67   8.681   2.329  -3.975
  512    HB3  ASN  67           2HB      ASN  67   8.301   1.089  -5.166
  513   HD21  ASN  67          1HD2      ASN  67  10.111   1.827  -2.262
  514   HD22  ASN  67          2HD2      ASN  67  10.427   0.187  -1.818
  515    H    GLU  68           H        GLU  68  11.105   4.274  -6.162
  516    HA   GLU  68           HA       GLU  68  10.704   5.870  -7.720
  517    HB2  GLU  68           1HB      GLU  68   9.482   3.565  -9.240
  518    HB3  GLU  68           2HB      GLU  68   9.895   5.128  -9.928
  519    HG2  GLU  68           1HG      GLU  68  12.243   4.745  -9.427
  520    HG3  GLU  68           2HG      GLU  68  11.841   3.189  -8.700
  521    H    VAL  69           H        VAL  69   8.899   5.839  -5.678
  522    HA   VAL  69           HA       VAL  69   6.222   5.996  -6.775
  523    HB   VAL  69           HB       VAL  69   7.276   6.492  -3.991
  524   HG11  VAL  69          1HG1      VAL  69   4.425   6.366  -4.966
  525   HG12  VAL  69          2HG1      VAL  69   5.259   7.802  -4.370
  526   HG13  VAL  69          3HG1      VAL  69   4.930   6.455  -3.279
  527   HG21  VAL  69          3HG2      VAL  69   5.747   4.178  -5.172
  528   HG22  VAL  69          1HG2      VAL  69   6.227   4.343  -3.484
  529   HG23  VAL  69          2HG2      VAL  69   7.455   4.180  -4.737
  530    H    SER  70           H        SER  70   5.593   7.749  -7.807
  531    HA   SER  70           HA       SER  70   6.499  10.370  -6.833
  532    HB2  SER  70           1HB      SER  70   6.241  11.032  -9.328
  533    HB3  SER  70           2HB      SER  70   7.673  10.122  -8.845
  534    HG   SER  70           HG       SER  70   7.032   8.508 -10.031
  535    H    ALA  71           H        ALA  71   4.013   8.720  -6.383
  536    HA   ALA  71           HA       ALA  71   2.119  10.855  -6.998
  537    HB1  ALA  71           1HB      ALA  71   1.507   7.963  -7.589
  538    HB2  ALA  71           2HB      ALA  71   1.916   9.172  -8.806
  539    HB3  ALA  71           3HB      ALA  71   0.444   9.347  -7.849
  540    H    MET  72           H        MET  72   0.357  10.982  -5.571
  541    HA   MET  72           HA       MET  72   0.488   9.142  -3.270
  542    HB2  MET  72           1HB      MET  72  -0.365  11.054  -1.915
  543    HB3  MET  72           2HB      MET  72   1.221  11.359  -2.619
  544    HG2  MET  72           1HG      MET  72  -0.041  12.474  -4.528
  545    HG3  MET  72           2HG      MET  72  -1.433  12.451  -3.453
  546    HE1  MET  72           3HE      MET  72  -1.590  15.131  -3.765
  547    HE2  MET  72           1HE      MET  72  -0.255  14.843  -4.889
  548    HE3  MET  72           2HE      MET  72  -0.136  16.134  -3.687
  549    HA   PRO  73           HA       PRO  73  -0.377   7.911  -2.236
  550    HB2  PRO  73           1HB      PRO  73  -2.104   5.690  -2.152
  551    HB3  PRO  73           2HB      PRO  73  -1.944   6.944  -0.922
  552    HG2  PRO  73           1HG      PRO  73  -4.199   6.461  -2.518
  553    HG3  PRO  73           2HG      PRO  73  -3.905   7.895  -1.522
  554    HD2  PRO  73           1HD      PRO  73  -3.527   7.505  -4.450
  555    HD3  PRO  73           2HD      PRO  73  -4.016   8.958  -3.557
  556    H    THR  74           H        THR  74   0.573   5.692  -2.471
  557    HA   THR  74           HA       THR  74   0.221   4.495  -5.107
  558    HB   THR  74           HB       THR  74   2.895   5.211  -3.885
  559    HG1  THR  74           1HG      THR  74   1.968   6.913  -5.063
  560   HG21  THR  74          3HG2      THR  74   2.265   3.534  -6.315
  561   HG22  THR  74          1HG2      THR  74   3.066   2.998  -4.839
  562   HG23  THR  74          2HG2      THR  74   3.867   4.148  -5.910
  563    H    LEU  75           H        LEU  75  -0.352   2.395  -4.703
  564    HA   LEU  75           HA       LEU  75   0.747   1.244  -2.237
  565    HB2  LEU  75           1HB      LEU  75  -1.636   0.276  -3.735
  566    HB3  LEU  75           2HB      LEU  75  -0.995  -0.401  -2.273
  567    HG   LEU  75           HG       LEU  75  -1.393   2.234  -1.595
  568   HD11  LEU  75          1HD1      LEU  75  -3.799   1.305  -3.134
  569   HD12  LEU  75          2HD1      LEU  75  -2.688   2.567  -3.660
  570   HD13  LEU  75          3HD1      LEU  75  -3.644   2.788  -2.195
  571   HD21  LEU  75          3HD2      LEU  75  -1.723   0.229  -0.268
  572   HD22  LEU  75          1HD2      LEU  75  -3.201  -0.126  -1.166
  573   HD23  LEU  75          2HD2      LEU  75  -3.108   1.325  -0.165
  574    H    LEU  76           H        LEU  76   1.712  -0.644  -2.255
  575    HA   LEU  76           HA       LEU  76   2.176  -1.906  -4.858
  576    HB2  LEU  76           1HB      LEU  76   4.365  -1.473  -2.820
  577    HB3  LEU  76           2HB      LEU  76   4.536  -2.068  -4.458
  578    HG   LEU  76           HG       LEU  76   3.707   0.751  -3.771
  579   HD11  LEU  76          1HD1      LEU  76   5.964   0.327  -2.978
  580   HD12  LEU  76          2HD1      LEU  76   5.989   1.375  -4.397
  581   HD13  LEU  76          3HD1      LEU  76   6.409  -0.331  -4.551
  582   HD21  LEU  76          3HD2      LEU  76   4.330   1.165  -6.130
  583   HD22  LEU  76          1HD2      LEU  76   2.954   0.075  -5.954
  584   HD23  LEU  76          2HD2      LEU  76   4.547  -0.572  -6.339
  585    H    LEU  77           H        LEU  77   1.256  -3.848  -4.553
  586    HA   LEU  77           HA       LEU  77   1.511  -5.053  -1.924
  587    HB2  LEU  77           1HB      LEU  77   0.382  -6.641  -4.125
  588    HB3  LEU  77           2HB      LEU  77  -0.184  -6.417  -2.483
  589    HG   LEU  77           HG       LEU  77  -0.555  -4.462  -4.746
  590   HD11  LEU  77          1HD1      LEU  77  -2.923  -5.111  -4.494
  591   HD12  LEU  77          2HD1      LEU  77  -2.430  -6.359  -3.348
  592   HD13  LEU  77          3HD1      LEU  77  -1.890  -6.437  -5.026
  593   HD21  LEU  77          3HD2      LEU  77  -2.089  -3.339  -3.149
  594   HD22  LEU  77          1HD2      LEU  77  -0.395  -3.266  -2.667
  595   HD23  LEU  77          2HD2      LEU  77  -1.484  -4.403  -1.880
  596    H    PHE  78           H        PHE  78   3.041  -6.389  -1.404
  597    HA   PHE  78           HA       PHE  78   4.731  -7.390  -3.569
  598    HB2  PHE  78           1HB      PHE  78   5.331  -6.480  -0.794
  599    HB3  PHE  78           2HB      PHE  78   6.386  -7.663  -1.550
  600    HD1  PHE  78           2HD      PHE  78   5.058  -4.233  -1.806
  601    HD2  PHE  78           1HD      PHE  78   7.941  -7.025  -3.217
  602    HE1  PHE  78           2HE      PHE  78   6.265  -2.412  -2.935
  603    HE2  PHE  78           1HE      PHE  78   9.155  -5.207  -4.345
  604    HZ   PHE  78           HZ       PHE  78   8.314  -2.897  -4.203
  605    H    LYS  79           H        LYS  79   5.664  -9.461  -3.367
  606    HA   LYS  79           HA       LYS  79   4.384 -11.278  -1.482
  607    HB2  LYS  79           1HB      LYS  79   2.956 -11.281  -3.397
  608    HB3  LYS  79           2HB      LYS  79   4.321 -11.437  -4.494
  609    HG2  LYS  79           1HG      LYS  79   4.723 -13.702  -3.554
  610    HG3  LYS  79           2HG      LYS  79   3.258 -13.515  -2.586
  611    HD2  LYS  79           1HD      LYS  79   1.952 -13.205  -4.645
  612    HD3  LYS  79           2HD      LYS  79   3.417 -13.426  -5.600
  613    HE2  LYS  79           1HE      LYS  79   2.192 -15.487  -5.587
  614    HE3  LYS  79           2HE      LYS  79   3.649 -15.695  -4.619
  615    HZ1  LYS  79           3HZ      LYS  79   2.306 -15.347  -2.626
  616    HZ2  LYS  79           1HZ      LYS  79   1.753 -16.668  -3.521
  617    HZ3  LYS  79           2HZ      LYS  79   0.915 -15.203  -3.573
  618    H    ASN  80           H        ASN  80   5.983 -12.278  -0.539
  619    HA   ASN  80           HA       ASN  80   8.085 -12.934  -0.007
  620    HB2  ASN  80           1HB      ASN  80   8.950 -14.805  -1.330
  621    HB3  ASN  80           2HB      ASN  80   7.229 -14.963  -1.041
  622   HD21  ASN  80          1HD2      ASN  80   5.820 -14.878  -2.758
  623   HD22  ASN  80          2HD2      ASN  80   6.358 -14.958  -4.396
  624    H    GLY  81           H        GLY  81   8.126 -10.414  -1.158
  625    HA2  GLY  81           1HA      GLY  81   9.777  -8.892  -1.642
  626    HA3  GLY  81           2HA      GLY  81  10.923 -10.220  -1.669
  627    H    LYS  82           H        LYS  82   8.423 -10.912  -3.811
  628    HA   LYS  82           HA       LYS  82  10.178 -10.127  -6.034
  629    HB2  LYS  82           1HB      LYS  82   9.439 -12.010  -7.149
  630    HB3  LYS  82           2HB      LYS  82   9.395 -12.544  -5.486
  631    HG2  LYS  82           1HG      LYS  82   6.997 -12.110  -5.399
  632    HG3  LYS  82           2HG      LYS  82   7.037 -11.610  -7.090
  633    HD2  LYS  82           1HD      LYS  82   7.851 -14.337  -6.093
  634    HD3  LYS  82           2HD      LYS  82   6.261 -13.948  -6.748
  635    HE2  LYS  82           1HE      LYS  82   7.301 -13.303  -8.871
  636    HE3  LYS  82           2HE      LYS  82   8.887 -13.700  -8.210
  637    HZ1  LYS  82           3HZ      LYS  82   8.191 -15.989  -7.974
  638    HZ2  LYS  82           1HZ      LYS  82   8.001 -15.489  -9.578
  639    HZ3  LYS  82           2HZ      LYS  82   6.651 -15.621  -8.567
  640    H    GLU  83           H        GLU  83   7.570  -9.198  -4.414
  641    HA   GLU  83           HA       GLU  83   6.019  -7.567  -4.717
  642    HB2  GLU  83           1HB      GLU  83   7.693  -6.640  -6.423
  643    HB3  GLU  83           2HB      GLU  83   6.741  -7.462  -7.647
  644    HG2  GLU  83           1HG      GLU  83   4.802  -6.118  -7.067
  645    HG3  GLU  83           2HG      GLU  83   5.722  -5.320  -5.791
  646    H    VAL  84           H        VAL  84   3.936  -7.268  -6.239
  647    HA   VAL  84           HA       VAL  84   3.246  -9.681  -7.657
  648    HB   VAL  84           HB       VAL  84   2.583  -9.887  -5.167
  649   HG11  VAL  84          1HG1      VAL  84   1.522  -7.859  -4.739
  650   HG12  VAL  84          2HG1      VAL  84   0.237  -9.073  -4.778
  651   HG13  VAL  84          3HG1      VAL  84   0.488  -8.001  -6.158
  652   HG21  VAL  84          3HG2      VAL  84   0.634 -10.438  -7.380
  653   HG22  VAL  84          1HG2      VAL  84   0.555 -11.140  -5.761
  654   HG23  VAL  84          2HG2      VAL  84   1.928 -11.495  -6.816
  655    H    ALA  85           H        ALA  85   2.514  -6.415  -6.649
  656    HA   ALA  85           HA       ALA  85   1.485  -5.815  -9.293
  657    HB1  ALA  85           1HB      ALA  85  -0.274  -5.249  -6.916
  658    HB2  ALA  85           2HB      ALA  85  -0.532  -6.589  -8.038
  659    HB3  ALA  85           3HB      ALA  85  -0.629  -4.920  -8.615
  660    H    LYS  86           H        LYS  86   1.148  -3.518  -9.611
  661    HA   LYS  86           HA       LYS  86   2.285  -1.811  -7.540
  662    HB2  LYS  86           1HB      LYS  86   4.081  -2.341  -9.183
  663    HB3  LYS  86           2HB      LYS  86   3.069  -1.697 -10.463
  664    HG2  LYS  86           1HG      LYS  86   3.091   0.488  -9.157
  665    HG3  LYS  86           2HG      LYS  86   4.410  -0.227  -8.238
  666    HD2  LYS  86           1HD      LYS  86   5.548  -0.655 -10.459
  667    HD3  LYS  86           2HD      LYS  86   4.322   0.386 -11.180
  668    HE2  LYS  86           1HE      LYS  86   6.194   1.771 -10.775
  669    HE3  LYS  86           2HE      LYS  86   5.028   2.159  -9.507
  670    HZ1  LYS  86           3HZ      LYS  86   7.244   1.936  -8.590
  671    HZ2  LYS  86           1HZ      LYS  86   7.395   0.376  -9.230
  672    HZ3  LYS  86           2HZ      LYS  86   6.266   0.681  -8.013
  673    H    VAL  87           H        VAL  87   0.872  -0.202  -7.125
  674    HA   VAL  87           HA       VAL  87  -0.579   0.912  -9.421
  675    HB   VAL  87           HB       VAL  87  -2.107  -0.465  -8.012
  676   HG11  VAL  87          1HG1      VAL  87  -1.070  -0.006  -5.844
  677   HG12  VAL  87          2HG1      VAL  87  -2.820   0.232  -5.862
  678   HG13  VAL  87          3HG1      VAL  87  -1.735   1.627  -5.914
  679   HG21  VAL  87          3HG2      VAL  87  -2.693   2.483  -8.095
  680   HG22  VAL  87          1HG2      VAL  87  -3.895   1.197  -7.945
  681   HG23  VAL  87          2HG2      VAL  87  -2.936   1.341  -9.419
  682    H    VAL  88           H        VAL  88  -0.591   3.066  -9.585
  683    HA   VAL  88           HA       VAL  88   0.796   4.547  -7.460
  684    HB   VAL  88           HB       VAL  88   1.430   5.110 -10.330
  685   HG11  VAL  88          1HG1      VAL  88   2.335   6.710  -8.912
  686   HG12  VAL  88          2HG1      VAL  88   3.681   5.595  -9.176
  687   HG13  VAL  88          3HG1      VAL  88   2.748   5.521  -7.677
  688   HG21  VAL  88          3HG2      VAL  88   1.740   2.661 -10.002
  689   HG22  VAL  88          1HG2      VAL  88   2.884   3.022  -8.708
  690   HG23  VAL  88          2HG2      VAL  88   3.239   3.527 -10.362
  691    H    GLY  89           H        GLY  89  -1.374   5.312  -6.991
  692    HA2  GLY  89           1HA      GLY  89  -1.874   7.877  -7.744
  693    HA3  GLY  89           2HA      GLY  89  -2.753   6.928  -8.935
  694    H    ALA  90           H        ALA  90  -4.458   8.336  -7.738
  695    HA   ALA  90           HA       ALA  90  -5.354   7.374  -5.190
  696    HB1  ALA  90           1HB      ALA  90  -5.783   9.679  -5.986
  697    HB2  ALA  90           2HB      ALA  90  -7.260   8.830  -5.527
  698    HB3  ALA  90           3HB      ALA  90  -6.848   9.023  -7.230
  699    H    ASN  91           H        ASN  91  -5.787   5.209  -5.243
  700    HA   ASN  91           HA       ASN  91  -7.679   4.274  -7.298
  701    HB2  ASN  91           1HB      ASN  91  -6.465   2.148  -7.350
  702    HB3  ASN  91           2HB      ASN  91  -5.399   3.487  -7.763
  703   HD21  ASN  91          1HD2      ASN  91  -5.171   0.704  -6.479
  704   HD22  ASN  91          2HD2      ASN  91  -4.128   0.983  -5.135
  705    HA   PRO  92           HA       PRO  92  -9.341   2.998  -3.103
  706    HB2  PRO  92           1HB      PRO  92 -11.877   4.003  -4.223
  707    HB3  PRO  92           2HB      PRO  92 -11.149   4.323  -2.648
  708    HG2  PRO  92           1HG      PRO  92 -11.262   6.193  -4.586
  709    HG3  PRO  92           2HG      PRO  92  -9.928   6.107  -3.423
  710    HD2  PRO  92           1HD      PRO  92 -10.021   5.221  -6.281
  711    HD3  PRO  92           2HD      PRO  92  -8.691   5.978  -5.380
  712    H    ALA  93           H        ALA  93 -10.846   2.957  -6.334
  713    HA   ALA  93           HA       ALA  93 -11.967   0.325  -5.829
  714    HB1  ALA  93           1HB      ALA  93 -13.285   2.001  -7.048
  715    HB2  ALA  93           2HB      ALA  93 -13.012   0.545  -8.004
  716    HB3  ALA  93           3HB      ALA  93 -12.075   2.003  -8.331
  717    H    ALA  94           H        ALA  94  -9.324   1.791  -7.598
  718    HA   ALA  94           HA       ALA  94  -8.717  -0.566  -9.113
  719    HB1  ALA  94           1HB      ALA  94  -7.901   1.196 -10.262
  720    HB2  ALA  94           2HB      ALA  94  -6.448   0.809  -9.336
  721    HB3  ALA  94           3HB      ALA  94  -7.516   2.114  -8.811
  722    H    ILE  95           H        ILE  95  -7.900   0.527  -5.895
  723    HA   ILE  95           HA       ILE  95  -5.658  -1.125  -5.498
  724    HB   ILE  95           HB       ILE  95  -6.704   0.467  -3.740
  725   HG12  ILE  95          1HG1      ILE  95  -5.589  -0.686  -1.974
  726   HG13  ILE  95          2HG1      ILE  95  -5.967  -2.269  -2.653
  727   HG21  ILE  95          1HG2      ILE  95  -8.177  -0.622  -2.107
  728   HG22  ILE  95          2HG2      ILE  95  -8.304  -2.025  -3.172
  729   HG23  ILE  95          3HG2      ILE  95  -8.939  -0.456  -3.688
  730   HD11  ILE  95          3HD1      ILE  95  -4.125  -0.314  -3.998
  731   HD12  ILE  95          1HD1      ILE  95  -4.335  -2.027  -4.340
  732   HD13  ILE  95          2HD1      ILE  95  -3.576  -1.516  -2.833
  733    H    LYS  96           H        LYS  96  -9.096  -1.729  -5.567
  734    HA   LYS  96           HA       LYS  96  -9.064  -4.354  -4.638
  735    HB2  LYS  96           1HB      LYS  96 -11.034  -2.734  -4.936
  736    HB3  LYS  96           2HB      LYS  96 -11.061  -3.279  -6.608
  737    HG2  LYS  96           1HG      LYS  96 -12.658  -4.543  -5.353
  738    HG3  LYS  96           2HG      LYS  96 -11.308  -5.582  -5.801
  739    HD2  LYS  96           1HD      LYS  96 -10.348  -5.375  -3.589
  740    HD3  LYS  96           2HD      LYS  96 -11.610  -4.229  -3.127
  741    HE2  LYS  96           1HE      LYS  96 -12.183  -7.057  -3.989
  742    HE3  LYS  96           2HE      LYS  96 -11.938  -6.587  -2.308
  743    HZ1  LYS  96           3HZ      LYS  96 -14.293  -6.676  -2.971
  744    HZ2  LYS  96           1HZ      LYS  96 -14.022  -5.428  -4.079
  745    HZ3  LYS  96           2HZ      LYS  96 -13.827  -5.149  -2.420
  746    H    GLN  97           H        GLN  97  -8.446  -2.946  -7.773
  747    HA   GLN  97           HA       GLN  97  -8.405  -5.261  -9.335
  748    HB2  GLN  97           1HB      GLN  97  -8.188  -3.181 -10.455
  749    HB3  GLN  97           2HB      GLN  97  -6.840  -2.677  -9.450
  750    HG2  GLN  97           1HG      GLN  97  -6.516  -5.075 -11.191
  751    HG3  GLN  97           2HG      GLN  97  -6.480  -3.475 -11.926
  752   HE21  GLN  97          1HE2      GLN  97  -4.377  -5.552 -11.557
  753   HE22  GLN  97          2HE2      GLN  97  -3.070  -4.741 -10.752
  754    H    ALA  98           H        ALA  98  -5.690  -3.682  -7.650
  755    HA   ALA  98           HA       ALA  98  -3.935  -5.882  -8.052
  756    HB1  ALA  98           1HB      ALA  98  -2.424  -4.667  -6.471
  757    HB2  ALA  98           2HB      ALA  98  -3.747  -3.535  -6.148
  758    HB3  ALA  98           3HB      ALA  98  -3.048  -3.634  -7.761
  759    H    ILE  99           H        ILE  99  -6.065  -4.943  -5.545
  760    HA   ILE  99           HA       ILE  99  -4.916  -6.549  -3.515
  761    HB   ILE  99           HB       ILE  99  -6.708  -4.444  -3.578
  762   HG12  ILE  99          1HG1      ILE  99  -5.129  -4.631  -1.861
  763   HG13  ILE  99          2HG1      ILE  99  -6.685  -4.821  -1.051
  764   HG21  ILE  99          1HG2      ILE  99  -8.540  -6.158  -3.846
  765   HG22  ILE  99          2HG2      ILE  99  -8.698  -4.990  -2.531
  766   HG23  ILE  99          3HG2      ILE  99  -8.170  -6.644  -2.189
  767   HD11  ILE  99          3HD1      ILE  99  -5.644  -6.608  -0.138
  768   HD12  ILE  99          1HD1      ILE  99  -4.558  -6.811  -1.517
  769   HD13  ILE  99          2HD1      ILE  99  -6.227  -7.375  -1.630
  770    H    ALA 100           H        ALA 100  -7.650  -6.996  -5.666
  771    HA   ALA 100           HA       ALA 100  -8.432  -9.373  -4.217
  772    HB1  ALA 100           1HB      ALA 100 -10.352  -9.465  -5.727
  773    HB2  ALA 100           2HB      ALA 100  -9.683  -8.132  -6.667
  774    HB3  ALA 100           3HB      ALA 100 -10.188  -7.868  -4.999
  775    H    ALA 101           H        ALA 101  -7.083  -8.472  -7.338
  776    HA   ALA 101           HA       ALA 101  -7.262 -11.090  -8.445
  777    HB1  ALA 101           1HB      ALA 101  -5.554  -8.776  -9.342
  778    HB2  ALA 101           2HB      ALA 101  -7.221  -9.069  -9.835
  779    HB3  ALA 101           3HB      ALA 101  -5.956 -10.211 -10.284
  780    H    ASN 102           H        ASN 102  -4.697  -9.268  -6.797
  781    HA   ASN 102           HA       ASN 102  -2.790 -11.373  -7.443
  782    HB2  ASN 102           1HB      ASN 102  -2.451  -8.842  -5.847
  783    HB3  ASN 102           2HB      ASN 102  -1.156  -9.989  -6.174
  784   HD21  ASN 102          1HD2      ASN 102  -3.086  -7.468  -7.378
  785   HD22  ASN 102          2HD2      ASN 102  -2.343  -7.322  -8.939
  786    H    ALA 103           H        ALA 103  -3.907  -9.933  -4.382
  787    HA   ALA 103           HA       ALA 103  -2.809 -11.569  -2.533
  788    HB1  ALA 103           1HB      ALA 103  -4.571 -11.044  -1.047
  789    HB2  ALA 103           2HB      ALA 103  -5.711 -10.815  -2.371
  790    HB3  ALA 103           3HB      ALA 103  -4.406  -9.656  -2.127
  Start of MODEL    5
    1    H1   MET   1           1H       MET   1  -9.812  -1.646  10.537
    2    H2   MET   1           2H       MET   1  -8.774  -2.918  10.128
    3    H3   MET   1           3H       MET   1  -9.108  -1.705   8.999
    4    HA   MET   1           HA       MET   1  -7.984  -0.079  10.299
    5    HB2  MET   1           1HB      MET   1  -7.653  -2.365  12.239
    6    HB3  MET   1           2HB      MET   1  -6.633  -0.936  12.286
    7    HG2  MET   1           1HG      MET   1  -8.379  -0.712  13.904
    8    HG3  MET   1           2HG      MET   1  -8.637   0.454  12.609
    9    HE1  MET   1           3HE      MET   1  -9.414  -3.432  12.634
   10    HE2  MET   1           1HE      MET   1 -11.092  -3.412  13.176
   11    HE3  MET   1           2HE      MET   1  -9.808  -2.883  14.262
   12    H    VAL   2           H        VAL   2  -6.025   0.372   9.512
   13    HA   VAL   2           HA       VAL   2  -4.329  -1.885   8.701
   14    HB   VAL   2           HB       VAL   2  -4.489  -1.233   6.590
   15   HG11  VAL   2          1HG1      VAL   2  -5.820   1.310   7.500
   16   HG12  VAL   2          2HG1      VAL   2  -6.622  -0.191   7.041
   17   HG13  VAL   2          3HG1      VAL   2  -5.730   0.737   5.831
   18   HG21  VAL   2          3HG2      VAL   2  -3.494   1.518   6.957
   19   HG22  VAL   2          1HG2      VAL   2  -2.945   0.243   5.868
   20   HG23  VAL   2          2HG2      VAL   2  -2.471   0.220   7.566
   21    H    THR   3           H        THR   3  -2.214  -1.780   9.119
   22    HA   THR   3           HA       THR   3  -1.332   0.063  11.142
   23    HB   THR   3           HB       THR   3  -0.493  -2.502  10.066
   24    HG1  THR   3           1HG      THR   3  -1.174  -2.159  12.210
   25   HG21  THR   3          3HG2      THR   3   1.887  -2.317  10.399
   26   HG22  THR   3          1HG2      THR   3   1.730  -0.615  10.844
   27   HG23  THR   3          2HG2      THR   3   1.383  -1.127   9.186
   28    H    GLN   4           H        GLN   4   0.284   1.524  11.047
   29    HA   GLN   4           HA       GLN   4   1.298   2.249   8.385
   30    HB2  GLN   4           1HB      GLN   4   1.821   4.477   9.623
   31    HB3  GLN   4           2HB      GLN   4   0.174   4.153   9.107
   32    HG2  GLN   4           1HG      GLN   4  -0.483   4.549  11.176
   33    HG3  GLN   4           2HG      GLN   4   0.349   3.076  11.671
   34   HE21  GLN   4          1HE2      GLN   4   3.007   4.190  11.081
   35   HE22  GLN   4          2HE2      GLN   4   3.335   5.324  12.342
   36    H    PHE   5           H        PHE   5   3.337   1.666   8.069
   37    HA   PHE   5           HA       PHE   5   5.026   0.772  10.183
   38    HB2  PHE   5           1HB      PHE   5   5.598   1.363   7.280
   39    HB3  PHE   5           2HB      PHE   5   6.818   0.767   8.392
   40    HD1  PHE   5           2HD      PHE   5   5.116  -1.188   9.926
   41    HD2  PHE   5           1HD      PHE   5   5.461  -0.394   5.760
   42    HE1  PHE   5           2HE      PHE   5   4.449  -3.502   9.434
   43    HE2  PHE   5           1HE      PHE   5   4.797  -2.709   5.258
   44    HZ   PHE   5           HZ       PHE   5   4.290  -4.264   7.102
   45    H    LYS   6           H        LYS   6   7.210   1.640  10.550
   46    HA   LYS   6           HA       LYS   6   7.123   4.578  10.638
   47    HB2  LYS   6           1HB      LYS   6   8.519   4.359  12.702
   48    HB3  LYS   6           2HB      LYS   6   6.897   3.694  12.851
   49    HG2  LYS   6           1HG      LYS   6   7.826   1.447  12.420
   50    HG3  LYS   6           2HG      LYS   6   9.443   2.149  12.409
   51    HD2  LYS   6           1HD      LYS   6   7.521   2.275  14.731
   52    HD3  LYS   6           2HD      LYS   6   8.839   1.115  14.576
   53    HE2  LYS   6           1HE      LYS   6  10.421   3.034  14.451
   54    HE3  LYS   6           2HE      LYS   6   9.068   4.112  14.786
   55    HZ1  LYS   6           3HZ      LYS   6   8.725   2.940  16.883
   56    HZ2  LYS   6           1HZ      LYS   6  10.275   3.612  16.798
   57    HZ3  LYS   6           2HZ      LYS   6  10.056   1.952  16.563
   58    H    THR   7           H        THR   7   8.877   1.837   9.585
   59    HA   THR   7           HA       THR   7  11.004   3.572   8.611
   60    HB   THR   7           HB       THR   7  12.666   1.748   9.037
   61    HG1  THR   7           1HG      THR   7  12.050   0.314  10.794
   62   HG21  THR   7          3HG2      THR   7  13.028   2.346  11.393
   63   HG22  THR   7          1HG2      THR   7  11.411   3.047  11.454
   64   HG23  THR   7          2HG2      THR   7  12.642   3.758  10.410
   65    H    ALA   8           H        ALA   8  12.060   2.872   6.725
   66    HA   ALA   8           HA       ALA   8  10.584   1.406   4.835
   67    HB1  ALA   8           1HB      ALA   8  13.579   1.828   4.942
   68    HB2  ALA   8           2HB      ALA   8  12.417   2.959   4.255
   69    HB3  ALA   8           3HB      ALA   8  12.640   1.370   3.523
   70    H    SER   9           H        SER   9  13.033   0.531   7.206
   71    HA   SER   9           HA       SER   9  13.498  -2.126   6.542
   72    HB2  SER   9           1HB      SER   9  13.359  -0.921   9.315
   73    HB3  SER   9           2HB      SER   9  14.193  -2.410   8.868
   74    HG   SER   9           HG       SER   9  15.265  -0.821   7.269
   75    H    GLU  10           H        GLU  10  10.843  -0.671   8.407
   76    HA   GLU  10           HA       GLU  10   9.636  -3.115   9.199
   77    HB2  GLU  10           1HB      GLU  10   8.480  -0.373   8.697
   78    HB3  GLU  10           2HB      GLU  10   7.510  -1.717   9.276
   79    HG2  GLU  10           1HG      GLU  10   9.906  -0.562  10.677
   80    HG3  GLU  10           2HG      GLU  10   8.222  -0.229  11.076
   81    H    PHE  11           H        PHE  11   9.229  -1.062   6.377
   82    HA   PHE  11           HA       PHE  11   7.166  -2.553   5.152
   83    HB2  PHE  11           1HB      PHE  11   7.249  -0.409   4.362
   84    HB3  PHE  11           2HB      PHE  11   9.006  -0.346   4.376
   85    HD1  PHE  11           1HD      PHE  11  10.290  -1.148   2.493
   86    HD2  PHE  11           2HD      PHE  11   6.040  -1.220   2.437
   87    HE1  PHE  11           1HE      PHE  11  10.326  -1.488   0.053
   88    HE2  PHE  11           2HE      PHE  11   6.067  -1.560   0.003
   89    HZ   PHE  11           HZ       PHE  11   8.214  -1.694  -1.194
   90    H    ASP  12           H        ASP  12  10.681  -2.468   4.562
   91    HA   ASP  12           HA       ASP  12  10.730  -4.216   2.402
   92    HB2  ASP  12           1HB      ASP  12  12.759  -3.412   4.456
   93    HB3  ASP  12           2HB      ASP  12  13.140  -4.644   3.270
   94    H    SER  13           H        SER  13  10.884  -4.875   5.863
   95    HA   SER  13           HA       SER  13  11.414  -7.647   5.577
   96    HB2  SER  13           1HB      SER  13  10.170  -6.168   7.910
   97    HB3  SER  13           2HB      SER  13  10.846  -7.796   7.964
   98    HG   SER  13           HG       SER  13  12.187  -5.331   7.587
   99    H    ALA  14           H        ALA  14   8.456  -5.754   5.833
  100    HA   ALA  14           HA       ALA  14   6.700  -7.950   6.121
  101    HB1  ALA  14           1HB      ALA  14   6.172  -5.213   4.973
  102    HB2  ALA  14           2HB      ALA  14   5.998  -5.686   6.664
  103    HB3  ALA  14           3HB      ALA  14   4.938  -6.383   5.437
  104    H    ILE  15           H        ILE  15   7.742  -6.091   3.279
  105    HA   ILE  15           HA       ILE  15   6.081  -7.494   1.481
  106    HB   ILE  15           HB       ILE  15   7.396  -6.464  -0.304
  107   HG12  ILE  15          1HG1      ILE  15   9.108  -5.220   1.838
  108   HG13  ILE  15          2HG1      ILE  15   9.588  -6.688   0.999
  109   HG21  ILE  15          1HG2      ILE  15   5.625  -5.197   0.813
  110   HG22  ILE  15          2HG2      ILE  15   6.927  -4.140   0.269
  111   HG23  ILE  15          3HG2      ILE  15   6.799  -4.578   1.973
  112   HD11  ILE  15          3HD1      ILE  15   9.055  -4.012  -0.266
  113   HD12  ILE  15          1HD1      ILE  15   9.509  -5.482  -1.128
  114   HD13  ILE  15          2HD1      ILE  15  10.635  -4.744   0.012
  115    H    ALA  16           H        ALA  16   9.193  -8.231   2.845
  116    HA   ALA  16           HA       ALA  16  10.007 -10.044   0.761
  117    HB1  ALA  16           1HB      ALA  16  11.010  -9.841   3.593
  118    HB2  ALA  16           2HB      ALA  16  11.615  -8.891   2.235
  119    HB3  ALA  16           3HB      ALA  16  11.815 -10.643   2.247
  120    H    GLN  17           H        GLN  17   7.643 -10.270   3.046
  121    HA   GLN  17           HA       GLN  17   8.036 -12.992   3.839
  122    HB2  GLN  17           1HB      GLN  17   5.621 -11.181   4.029
  123    HB3  GLN  17           2HB      GLN  17   5.724 -12.779   4.755
  124    HG2  GLN  17           1HG      GLN  17   7.440 -12.092   6.239
  125    HG3  GLN  17           2HG      GLN  17   7.650 -10.563   5.387
  126   HE21  GLN  17          1HE2      GLN  17   4.531 -11.971   6.117
  127   HE22  GLN  17          2HE2      GLN  17   4.053 -10.769   7.264
  128    H    ASP  18           H        ASP  18   6.562 -14.719   3.315
  129    HA   ASP  18           HA       ASP  18   6.321 -15.112   0.521
  130    HB2  ASP  18           1HB      ASP  18   6.773 -16.951   2.040
  131    HB3  ASP  18           2HB      ASP  18   5.255 -16.682   2.882
  132    H    LYS  19           H        LYS  19   4.456 -13.167   2.295
  133    HA   LYS  19           HA       LYS  19   1.879 -14.125   1.235
  134    HB2  LYS  19           1HB      LYS  19   0.836 -13.612   3.198
  135    HB3  LYS  19           2HB      LYS  19   2.372 -14.233   3.755
  136    HG2  LYS  19           1HG      LYS  19   3.157 -12.136   4.372
  137    HG3  LYS  19           2HG      LYS  19   1.967 -11.293   3.374
  138    HD2  LYS  19           1HD      LYS  19   1.349 -12.920   5.836
  139    HD3  LYS  19           2HD      LYS  19   1.423 -11.157   5.766
  140    HE2  LYS  19           1HE      LYS  19  -0.439 -11.056   4.291
  141    HE3  LYS  19           2HE      LYS  19  -0.420 -12.799   4.035
  142    HZ1  LYS  19           3HZ      LYS  19  -1.120 -11.362   6.541
  143    HZ2  LYS  19           1HZ      LYS  19  -0.964 -13.050   6.420
  144    HZ3  LYS  19           2HZ      LYS  19  -2.166 -12.251   5.541
  145    H    LEU  20           H        LEU  20   0.205 -12.332   1.333
  146    HA   LEU  20           HA       LEU  20   1.021 -10.263  -0.453
  147    HB2  LEU  20           1HB      LEU  20  -1.239 -11.553  -0.225
  148    HB3  LEU  20           2HB      LEU  20  -1.600 -10.368   1.005
  149    HG   LEU  20           HG       LEU  20  -2.632  -9.739  -1.079
  150   HD11  LEU  20          1HD1      LEU  20  -0.312  -7.913  -0.522
  151   HD12  LEU  20          2HD1      LEU  20  -1.820  -7.954   0.388
  152   HD13  LEU  20          3HD1      LEU  20  -1.833  -7.486  -1.311
  153   HD21  LEU  20          3HD2      LEU  20  -1.402  -9.250  -3.080
  154   HD22  LEU  20          1HD2      LEU  20  -1.058 -10.905  -2.579
  155   HD23  LEU  20          2HD2      LEU  20   0.125  -9.630  -2.278
  156    H    VAL  21           H        VAL  21   2.144  -8.543   0.293
  157    HA   VAL  21           HA       VAL  21   0.968  -7.123   2.594
  158    HB   VAL  21           HB       VAL  21   3.876  -7.184   1.749
  159   HG11  VAL  21          1HG1      VAL  21   4.305  -5.549   3.496
  160   HG12  VAL  21          2HG1      VAL  21   2.589  -5.494   3.898
  161   HG13  VAL  21          3HG1      VAL  21   3.146  -4.887   2.335
  162   HG21  VAL  21          3HG2      VAL  21   4.232  -8.023   4.025
  163   HG22  VAL  21          1HG2      VAL  21   3.151  -9.078   3.113
  164   HG23  VAL  21          2HG2      VAL  21   2.493  -7.970   4.318
  165    H    VAL  22           H        VAL  22  -0.265  -5.567   1.741
  166    HA   VAL  22           HA       VAL  22   0.865  -3.994  -0.443
  167    HB   VAL  22           HB       VAL  22  -1.154  -4.517  -1.282
  168   HG11  VAL  22          1HG1      VAL  22  -2.400  -4.412   1.447
  169   HG12  VAL  22          2HG1      VAL  22  -1.815  -5.866   0.640
  170   HG13  VAL  22          3HG1      VAL  22  -3.163  -4.962  -0.047
  171   HG21  VAL  22          3HG2      VAL  22  -2.765  -2.696  -1.002
  172   HG22  VAL  22          1HG2      VAL  22  -1.116  -2.090  -1.161
  173   HG23  VAL  22          2HG2      VAL  22  -1.887  -2.144   0.424
  174    H    VAL  23           H        VAL  23   1.984  -2.390   0.202
  175    HA   VAL  23           HA       VAL  23   1.114  -0.763   2.491
  176    HB   VAL  23           HB       VAL  23   3.768  -0.870   1.037
  177   HG11  VAL  23          1HG1      VAL  23   2.981   0.631   3.523
  178   HG12  VAL  23          2HG1      VAL  23   3.330   1.344   1.948
  179   HG13  VAL  23          3HG1      VAL  23   4.608   0.528   2.850
  180   HG21  VAL  23          3HG2      VAL  23   4.521  -1.812   3.271
  181   HG22  VAL  23          1HG2      VAL  23   3.535  -2.870   2.263
  182   HG23  VAL  23          2HG2      VAL  23   2.815  -2.036   3.634
  183    H    ALA  24           H        ALA  24   0.690   1.458   2.234
  184    HA   ALA  24           HA       ALA  24   0.956   2.541  -0.481
  185    HB1  ALA  24           1HB      ALA  24  -1.432   1.860   0.228
  186    HB2  ALA  24           2HB      ALA  24  -1.164   3.409  -0.566
  187    HB3  ALA  24           3HB      ALA  24  -1.364   3.343   1.179
  188    H    PHE  25           H        PHE  25   1.612   4.531  -0.740
  189    HA   PHE  25           HA       PHE  25   2.659   5.838   1.621
  190    HB2  PHE  25           1HB      PHE  25   3.013   6.306  -1.329
  191    HB3  PHE  25           2HB      PHE  25   3.749   7.332  -0.094
  192    HD1  PHE  25           1HD      PHE  25   5.096   6.042   1.747
  193    HD2  PHE  25           2HD      PHE  25   4.192   4.495  -2.105
  194    HE1  PHE  25           1HE      PHE  25   6.934   4.427   1.966
  195    HE2  PHE  25           2HE      PHE  25   6.034   2.881  -1.901
  196    HZ   PHE  25           HZ       PHE  25   7.403   2.846   0.138
  197    H    TYR  26           H        TYR  26   1.833   7.505   2.564
  198    HA   TYR  26           HA       TYR  26  -0.440   8.945   1.339
  199    HB2  TYR  26           1HB      TYR  26   0.023   7.980   4.161
  200    HB3  TYR  26           2HB      TYR  26  -1.067   9.314   3.832
  201    HD1  TYR  26           2HD      TYR  26  -0.860   6.470   1.512
  202    HD2  TYR  26           1HD      TYR  26  -2.897   8.157   4.842
  203    HE1  TYR  26           2HE      TYR  26  -2.693   4.862   1.207
  204    HE2  TYR  26           1HE      TYR  26  -4.728   6.553   4.547
  205    HH   TYR  26           HH       TYR  26  -5.677   5.160   2.739
  206    H    ALA  27           H        ALA  27  -0.799  10.950   2.992
  207    HA   ALA  27           HA       ALA  27   1.501  12.061   4.205
  208    HB1  ALA  27           1HB      ALA  27   1.769  14.029   2.751
  209    HB2  ALA  27           2HB      ALA  27   0.603  13.345   1.617
  210    HB3  ALA  27           3HB      ALA  27   2.145  12.535   1.892
  211    H    THR  28           H        THR  28   0.989  14.222   5.103
  212    HA   THR  28           HA       THR  28  -1.771  14.324   5.930
  213    HB   THR  28           HB       THR  28  -0.840  16.351   7.265
  214    HG1  THR  28           1HG      THR  28   1.370  16.451   7.399
  215   HG21  THR  28          3HG2      THR  28  -1.388  14.170   8.255
  216   HG22  THR  28          1HG2      THR  28   0.070  14.852   8.974
  217   HG23  THR  28          2HG2      THR  28   0.198  13.559   7.783
  218    H    TRP  29           H        TRP  29  -0.144  15.499   3.324
  219    HA   TRP  29           HA       TRP  29  -1.876  17.860   3.132
  220    HB2  TRP  29           1HB      TRP  29   0.053  18.669   1.538
  221    HB3  TRP  29           2HB      TRP  29   0.158  18.895   3.279
  222    HD1  TRP  29           HD       TRP  29   2.056  17.688   4.549
  223    HE1  TRP  29           1HE      TRP  29   4.107  16.307   3.829
  224    HE3  TRP  29           3HE      TRP  29   0.803  16.887  -0.338
  225    HZ2  TRP  29           2HZ      TRP  29   5.055  15.038   1.495
  226    HZ3  TRP  29           3HZ      TRP  29   2.335  15.577  -1.747
  227    HH2  TRP  29           HH       TRP  29   4.416  14.671  -0.848
  228    H    CYS  30           H        CYS  30  -2.530  15.209   2.161
  229    HA   CYS  30           HA       CYS  30  -2.781  15.943  -0.662
  230    HB2  CYS  30           1HB      CYS  30  -2.751  13.414  -1.152
  231    HB3  CYS  30           2HB      CYS  30  -1.223  14.249  -0.904
  232    H    GLY  31           H        GLY  31  -4.651  15.538  -1.650
  233    HA2  GLY  31           1HA      GLY  31  -6.950  15.014   0.008
  234    HA3  GLY  31           2HA      GLY  31  -6.961  15.468  -1.686
  235    HA   PRO  32           HA       PRO  32  -7.347  11.296  -3.179
  236    HB2  PRO  32           1HB      PRO  32  -4.444  10.711  -3.446
  237    HB3  PRO  32           2HB      PRO  32  -5.740  10.546  -4.634
  238    HG2  PRO  32           1HG      PRO  32  -4.019  12.542  -4.822
  239    HG3  PRO  32           2HG      PRO  32  -5.743  12.815  -5.134
  240    HD2  PRO  32           1HD      PRO  32  -4.130  13.471  -2.696
  241    HD3  PRO  32           2HD      PRO  32  -5.383  14.433  -3.499
  242    H    CYS  33           H        CYS  33  -4.371  11.232  -1.237
  243    HA   CYS  33           HA       CYS  33  -4.582   8.672  -0.163
  244    HB2  CYS  33           1HB      CYS  33  -3.114   9.497   1.625
  245    HB3  CYS  33           2HB      CYS  33  -2.585  10.103   0.057
  246    H    LYS  34           H        LYS  34  -6.169  11.635   0.762
  247    HA   LYS  34           HA       LYS  34  -7.064  10.749   3.291
  248    HB2  LYS  34           1HB      LYS  34  -6.856  13.127   2.583
  249    HB3  LYS  34           2HB      LYS  34  -8.238  12.899   1.525
  250    HG2  LYS  34           1HG      LYS  34  -9.654  12.432   3.429
  251    HG3  LYS  34           2HG      LYS  34  -8.274  12.578   4.516
  252    HD2  LYS  34           1HD      LYS  34  -9.089  14.827   2.704
  253    HD3  LYS  34           2HD      LYS  34  -9.857  14.591   4.270
  254    HE2  LYS  34           1HE      LYS  34  -8.131  16.172   4.602
  255    HE3  LYS  34           2HE      LYS  34  -7.555  14.658   5.288
  256    HZ1  LYS  34           3HZ      LYS  34  -6.831  15.604   2.572
  257    HZ2  LYS  34           1HZ      LYS  34  -6.137  14.323   3.428
  258    HZ3  LYS  34           2HZ      LYS  34  -5.897  15.912   3.943
  259    H    MET  35           H        MET  35  -8.586  10.794   0.066
  260    HA   MET  35           HA       MET  35 -11.118   9.909   1.049
  261    HB2  MET  35           1HB      MET  35 -11.759   9.683  -1.286
  262    HB3  MET  35           2HB      MET  35 -10.989  11.232  -0.987
  263    HG2  MET  35           1HG      MET  35  -8.937  10.408  -1.990
  264    HG3  MET  35           2HG      MET  35  -9.681   8.826  -2.221
  265    HE1  MET  35           3HE      MET  35  -9.212   8.683  -4.761
  266    HE2  MET  35           1HE      MET  35  -8.304  10.190  -4.648
  267    HE3  MET  35           2HE      MET  35  -9.523   9.988  -5.905
  268    H    ILE  36           H        ILE  36  -8.437   8.223  -0.577
  269    HA   ILE  36           HA       ILE  36  -9.874   5.751  -0.513
  270    HB   ILE  36           HB       ILE  36  -8.354   5.084  -1.967
  271   HG12  ILE  36          1HG1      ILE  36  -7.272   4.327   0.333
  272   HG13  ILE  36          2HG1      ILE  36  -6.503   4.005  -1.199
  273   HG21  ILE  36          1HG2      ILE  36  -6.683   7.474  -1.244
  274   HG22  ILE  36          2HG2      ILE  36  -7.908   7.385  -2.510
  275   HG23  ILE  36          3HG2      ILE  36  -6.432   6.429  -2.643
  276   HD11  ILE  36          3HD1      ILE  36  -4.928   4.779   0.508
  277   HD12  ILE  36          1HD1      ILE  36  -5.844   6.291   0.647
  278   HD13  ILE  36          2HD1      ILE  36  -5.015   5.900  -0.865
  279    H    ALA  37           H        ALA  37  -8.114   7.553   1.761
  280    HA   ALA  37           HA       ALA  37  -7.095   5.548   3.390
  281    HB1  ALA  37           1HB      ALA  37  -6.570   7.944   3.547
  282    HB2  ALA  37           2HB      ALA  37  -6.941   7.191   5.111
  283    HB3  ALA  37           3HB      ALA  37  -8.146   8.206   4.312
  284    HA   PRO  38           HA       PRO  38 -11.331   5.104   5.605
  285    HB2  PRO  38           1HB      PRO  38 -13.536   6.057   4.317
  286    HB3  PRO  38           2HB      PRO  38 -12.697   6.937   5.600
  287    HG2  PRO  38           1HG      PRO  38 -12.501   7.257   2.640
  288    HG3  PRO  38           2HG      PRO  38 -12.557   8.502   3.902
  289    HD2  PRO  38           1HD      PRO  38 -10.253   7.755   2.710
  290    HD3  PRO  38           2HD      PRO  38 -10.322   8.271   4.404
  291    H    MET  39           H        MET  39 -11.191   5.205   2.035
  292    HA   MET  39           HA       MET  39 -12.906   2.956   1.704
  293    HB2  MET  39           1HB      MET  39 -10.803   4.104  -0.114
  294    HB3  MET  39           2HB      MET  39 -11.843   2.766  -0.571
  295    HG2  MET  39           1HG      MET  39 -12.743   5.537   0.186
  296    HG3  MET  39           2HG      MET  39 -12.695   4.862  -1.442
  297    HE1  MET  39           3HE      MET  39 -16.546   5.147  -0.561
  298    HE2  MET  39           1HE      MET  39 -15.279   5.658  -1.676
  299    HE3  MET  39           2HE      MET  39 -15.267   6.227  -0.007
  300    H    ILE  40           H        ILE  40  -9.311   3.093   1.590
  301    HA   ILE  40           HA       ILE  40  -8.875   0.346   1.555
  302    HB   ILE  40           HB       ILE  40  -7.246   2.689   2.124
  303   HG12  ILE  40          1HG1      ILE  40  -5.463   1.036   1.298
  304   HG13  ILE  40          2HG1      ILE  40  -6.793  -0.092   1.082
  305   HG21  ILE  40          1HG2      ILE  40  -7.148   1.763   4.395
  306   HG22  ILE  40          2HG2      ILE  40  -5.589   1.722   3.574
  307   HG23  ILE  40          3HG2      ILE  40  -6.541   0.246   3.731
  308   HD11  ILE  40          3HD1      ILE  40  -7.856   1.723  -0.370
  309   HD12  ILE  40          1HD1      ILE  40  -6.448   0.867  -1.009
  310   HD13  ILE  40          2HD1      ILE  40  -6.258   2.474  -0.326
  311    H    GLU  41           H        GLU  41  -9.664   2.477   4.243
  312    HA   GLU  41           HA       GLU  41  -9.257   0.771   6.395
  313    HB2  GLU  41           1HB      GLU  41  -9.865   3.151   6.593
  314    HB3  GLU  41           2HB      GLU  41 -11.479   2.788   6.005
  315    HG2  GLU  41           1HG      GLU  41 -11.481   3.069   8.402
  316    HG3  GLU  41           2HG      GLU  41 -11.889   1.409   7.974
  317    H    LYS  42           H        LYS  42 -12.188   1.154   4.390
  318    HA   LYS  42           HA       LYS  42 -13.673  -0.860   5.662
  319    HB2  LYS  42           1HB      LYS  42 -14.774   0.716   4.214
  320    HB3  LYS  42           2HB      LYS  42 -13.779   0.228   2.848
  321    HG2  LYS  42           1HG      LYS  42 -14.868  -2.123   3.333
  322    HG3  LYS  42           2HG      LYS  42 -16.124  -1.125   4.074
  323    HD2  LYS  42           1HD      LYS  42 -15.071  -0.817   1.271
  324    HD3  LYS  42           2HD      LYS  42 -16.580  -1.621   1.702
  325    HE2  LYS  42           1HE      LYS  42 -15.925   1.270   2.265
  326    HE3  LYS  42           2HE      LYS  42 -16.916   0.701   0.923
  327    HZ1  LYS  42           3HZ      LYS  42 -18.227   1.463   2.832
  328    HZ2  LYS  42           1HZ      LYS  42 -17.542   0.250   3.789
  329    HZ3  LYS  42           2HZ      LYS  42 -18.514  -0.161   2.469
  330    H    PHE  43           H        PHE  43 -11.629  -0.951   2.803
  331    HA   PHE  43           HA       PHE  43 -12.031  -3.629   2.179
  332    HB2  PHE  43           1HB      PHE  43  -9.767  -1.757   1.523
  333    HB3  PHE  43           2HB      PHE  43  -9.902  -3.383   0.859
  334    HD1  PHE  43           2HD      PHE  43 -13.140  -2.209   1.277
  335    HD2  PHE  43           1HD      PHE  43  -9.733  -1.705  -1.224
  336    HE1  PHE  43           2HE      PHE  43 -14.585  -1.341  -0.520
  337    HE2  PHE  43           1HE      PHE  43 -11.178  -0.834  -3.015
  338    HZ   PHE  43           HZ       PHE  43 -13.604  -0.651  -2.661
  339    H    SER  44           H        SER  44 -10.178  -2.145   4.641
  340    HA   SER  44           HA       SER  44  -8.299  -4.336   4.888
  341    HB2  SER  44           1HB      SER  44  -7.237  -3.070   6.598
  342    HB3  SER  44           2HB      SER  44  -7.780  -1.879   5.409
  343    HG   SER  44           HG       SER  44  -9.614  -1.505   6.769
  344    H    GLU  45           H        GLU  45 -11.364  -3.411   6.004
  345    HA   GLU  45           HA       GLU  45 -11.437  -5.246   8.231
  346    HB2  GLU  45           1HB      GLU  45 -13.620  -3.803   6.714
  347    HB3  GLU  45           2HB      GLU  45 -13.916  -4.837   8.104
  348    HG2  GLU  45           1HG      GLU  45 -12.215  -2.355   8.113
  349    HG3  GLU  45           2HG      GLU  45 -13.874  -2.467   8.703
  350    H    GLN  46           H        GLN  46 -12.101  -5.245   4.831
  351    HA   GLN  46           HA       GLN  46 -12.900  -8.054   4.936
  352    HB2  GLN  46           1HB      GLN  46 -13.035  -7.421   2.297
  353    HB3  GLN  46           2HB      GLN  46 -14.375  -7.278   3.423
  354    HG2  GLN  46           1HG      GLN  46 -14.210  -4.996   3.548
  355    HG3  GLN  46           2HG      GLN  46 -12.512  -4.971   3.080
  356   HE21  GLN  46          1HE2      GLN  46 -15.796  -5.096   1.994
  357   HE22  GLN  46          2HE2      GLN  46 -15.478  -4.830   0.317
  358    H    TYR  47           H        TYR  47 -10.156  -6.936   5.324
  359    HA   TYR  47           HA       TYR  47  -8.715  -8.491   3.289
  360    HB2  TYR  47           1HB      TYR  47  -8.017  -6.296   5.084
  361    HB3  TYR  47           2HB      TYR  47  -6.840  -7.601   5.137
  362    HD1  TYR  47           1HD      TYR  47  -8.836  -6.034   2.408
  363    HD2  TYR  47           2HD      TYR  47  -4.986  -7.082   3.872
  364    HE1  TYR  47           1HE      TYR  47  -7.821  -5.201   0.335
  365    HE2  TYR  47           2HE      TYR  47  -3.965  -6.259   1.802
  366    HH   TYR  47           HH       TYR  47  -4.697  -5.899  -0.590
  367    HA   PRO  48           HA       PRO  48  -8.918 -11.580   6.661
  368    HB2  PRO  48           1HB      PRO  48  -9.498 -13.734   5.172
  369    HB3  PRO  48           2HB      PRO  48 -10.728 -12.550   5.628
  370    HG2  PRO  48           1HG      PRO  48  -9.337 -12.935   3.025
  371    HG3  PRO  48           2HG      PRO  48 -11.006 -12.436   3.344
  372    HD2  PRO  48           1HD      PRO  48  -8.881 -10.739   2.699
  373    HD3  PRO  48           2HD      PRO  48 -10.431 -10.241   3.396
  374    H    GLN  49           H        GLN  49  -7.332 -12.203   3.493
  375    HA   GLN  49           HA       GLN  49  -5.459 -13.976   4.836
  376    HB2  GLN  49           1HB      GLN  49  -6.666 -14.785   2.874
  377    HB3  GLN  49           2HB      GLN  49  -5.987 -13.481   1.912
  378    HG2  GLN  49           1HG      GLN  49  -3.720 -14.428   2.518
  379    HG3  GLN  49           2HG      GLN  49  -4.606 -15.830   3.110
  380   HE21  GLN  49          1HE2      GLN  49  -3.687 -13.991   0.327
  381   HE22  GLN  49          2HE2      GLN  49  -4.155 -15.155  -0.862
  382    H    ALA  50           H        ALA  50  -5.630 -10.886   3.398
  383    HA   ALA  50           HA       ALA  50  -2.742 -10.783   2.967
  384    HB1  ALA  50           1HB      ALA  50  -4.921  -8.957   1.962
  385    HB2  ALA  50           2HB      ALA  50  -4.143 -10.246   1.042
  386    HB3  ALA  50           3HB      ALA  50  -3.207  -8.845   1.564
  387    H    ASP  51           H        ASP  51  -1.721  -8.713   3.465
  388    HA   ASP  51           HA       ASP  51  -2.766  -7.583   5.970
  389    HB2  ASP  51           1HB      ASP  51  -0.043  -8.340   5.090
  390    HB3  ASP  51           2HB      ASP  51  -0.168  -6.856   6.029
  391    H    PHE  52           H        PHE  52  -3.234  -5.499   6.059
  392    HA   PHE  52           HA       PHE  52  -2.661  -3.890   3.680
  393    HB2  PHE  52           1HB      PHE  52  -5.027  -4.381   5.093
  394    HB3  PHE  52           2HB      PHE  52  -4.581  -2.734   5.508
  395    HD1  PHE  52           2HD      PHE  52  -3.225  -2.817   2.416
  396    HD2  PHE  52           1HD      PHE  52  -7.028  -3.138   4.265
  397    HE1  PHE  52           2HE      PHE  52  -4.298  -2.063   0.338
  398    HE2  PHE  52           1HE      PHE  52  -8.107  -2.375   2.226
  399    HZ   PHE  52           HZ       PHE  52  -6.748  -1.843   0.231
  400    H    TYR  53           H        TYR  53  -1.107  -2.347   3.918
  401    HA   TYR  53           HA       TYR  53  -1.015  -0.953   6.513
  402    HB2  TYR  53           1HB      TYR  53   1.444  -1.584   4.873
  403    HB3  TYR  53           2HB      TYR  53   1.383  -0.878   6.488
  404    HD1  TYR  53           1HD      TYR  53  -0.041  -2.455   8.188
  405    HD2  TYR  53           2HD      TYR  53   2.152  -3.779   4.804
  406    HE1  TYR  53           1HE      TYR  53   0.181  -4.676   9.215
  407    HE2  TYR  53           2HE      TYR  53   2.378  -6.010   5.818
  408    HH   TYR  53           HH       TYR  53   0.543  -7.080   8.348
  409    H    LYS  54           H        LYS  54  -0.677   1.249   6.430
  410    HA   LYS  54           HA       LYS  54  -0.291   2.449   3.751
  411    HB2  LYS  54           1HB      LYS  54  -2.098   3.626   5.878
  412    HB3  LYS  54           2HB      LYS  54  -1.827   4.268   4.271
  413    HG2  LYS  54           1HG      LYS  54  -3.300   1.728   4.958
  414    HG3  LYS  54           2HG      LYS  54  -4.018   3.249   4.457
  415    HD2  LYS  54           1HD      LYS  54  -3.827   2.688   2.300
  416    HD3  LYS  54           2HD      LYS  54  -2.078   2.408   2.525
  417    HE2  LYS  54           1HE      LYS  54  -2.803   0.177   3.606
  418    HE3  LYS  54           2HE      LYS  54  -4.337   0.464   2.796
  419    HZ1  LYS  54           3HZ      LYS  54  -3.114   0.620   0.695
  420    HZ2  LYS  54           1HZ      LYS  54  -2.932  -0.892   1.430
  421    HZ3  LYS  54           2HZ      LYS  54  -1.679   0.240   1.504
  422    H    LEU  55           H        LEU  55   1.545   3.676   3.757
  423    HA   LEU  55           HA       LEU  55   2.557   4.539   6.392
  424    HB2  LEU  55           1HB      LEU  55   4.077   4.692   3.826
  425    HB3  LEU  55           2HB      LEU  55   4.686   4.723   5.468
  426    HG   LEU  55           HG       LEU  55   3.717   2.396   3.890
  427   HD11  LEU  55          1HD1      LEU  55   6.083   2.785   5.667
  428   HD12  LEU  55          2HD1      LEU  55   6.088   3.119   3.936
  429   HD13  LEU  55          3HD1      LEU  55   5.816   1.474   4.515
  430   HD21  LEU  55          3HD2      LEU  55   2.492   2.228   5.957
  431   HD22  LEU  55          1HD2      LEU  55   3.964   2.536   6.878
  432   HD23  LEU  55          2HD2      LEU  55   3.804   1.048   5.945
  433    H    ASP  56           H        ASP  56   3.652   6.707   6.467
  434    HA   ASP  56           HA       ASP  56   2.373   8.624   4.653
  435    HB2  ASP  56           1HB      ASP  56   2.992  10.356   6.218
  436    HB3  ASP  56           2HB      ASP  56   2.097   9.111   7.066
  437    H    VAL  57           H        VAL  57   3.507   9.370   3.052
  438    HA   VAL  57           HA       VAL  57   6.057   8.366   2.459
  439    HB   VAL  57           HB       VAL  57   4.020   9.453   1.056
  440   HG11  VAL  57          1HG1      VAL  57   4.579  11.749   1.683
  441   HG12  VAL  57          2HG1      VAL  57   4.738  11.488  -0.055
  442   HG13  VAL  57          3HG1      VAL  57   6.177  11.553   0.962
  443   HG21  VAL  57          3HG2      VAL  57   5.635   7.913   0.211
  444   HG22  VAL  57          1HG2      VAL  57   6.870   9.172   0.164
  445   HG23  VAL  57          2HG2      VAL  57   5.468   9.273  -0.902
  446    H    ASP  58           H        ASP  58   5.096  10.997   4.360
  447    HA   ASP  58           HA       ASP  58   7.229  12.788   3.848
  448    HB2  ASP  58           1HB      ASP  58   5.167  13.575   4.838
  449    HB3  ASP  58           2HB      ASP  58   5.395  12.521   6.231
  450    H    GLU  59           H        GLU  59   6.645  10.489   6.549
  451    HA   GLU  59           HA       GLU  59   9.410  10.746   7.380
  452    HB2  GLU  59           1HB      GLU  59   7.175   8.945   8.302
  453    HB3  GLU  59           2HB      GLU  59   8.812   8.831   8.932
  454    HG2  GLU  59           1HG      GLU  59   8.625  11.233   9.604
  455    HG3  GLU  59           2HG      GLU  59   6.919  11.150   9.160
  456    H    LEU  60           H        LEU  60   7.507   8.633   5.387
  457    HA   LEU  60           HA       LEU  60   9.703   6.723   5.197
  458    HB2  LEU  60           1HB      LEU  60   6.819   6.648   4.353
  459    HB3  LEU  60           2HB      LEU  60   7.978   5.515   3.682
  460    HG   LEU  60           HG       LEU  60   6.840   4.445   5.483
  461   HD11  LEU  60          1HD1      LEU  60   9.257   3.996   5.281
  462   HD12  LEU  60          2HD1      LEU  60   8.656   3.807   6.930
  463   HD13  LEU  60          3HD1      LEU  60   9.561   5.252   6.486
  464   HD21  LEU  60          3HD2      LEU  60   6.839   5.297   7.771
  465   HD22  LEU  60          1HD2      LEU  60   6.024   6.403   6.666
  466   HD23  LEU  60          2HD2      LEU  60   7.657   6.760   7.224
  467    H    GLY  61           H        GLY  61  10.728   8.815   4.156
  468    HA2  GLY  61           1HA      GLY  61  10.015   9.289   1.409
  469    HA3  GLY  61           2HA      GLY  61  11.382   9.979   2.268
  470    H    ASP  62           H        ASP  62  12.706   7.688   3.075
  471    HA   ASP  62           HA       ASP  62  14.219   7.115   0.784
  472    HB2  ASP  62           1HB      ASP  62  15.178   6.976   3.026
  473    HB3  ASP  62           2HB      ASP  62  14.111   5.635   3.418
  474    H    VAL  63           H        VAL  63  11.798   5.160   2.493
  475    HA   VAL  63           HA       VAL  63  12.012   2.922   0.780
  476    HB   VAL  63           HB       VAL  63  10.946   2.620   2.917
  477   HG11  VAL  63          1HG1      VAL  63   8.806   3.573   3.467
  478   HG12  VAL  63          2HG1      VAL  63   8.850   4.532   1.981
  479   HG13  VAL  63          3HG1      VAL  63  10.040   4.812   3.252
  480   HG21  VAL  63          3HG2      VAL  63  10.165   1.087   1.306
  481   HG22  VAL  63          1HG2      VAL  63   9.102   2.297   0.587
  482   HG23  VAL  63          2HG2      VAL  63   8.744   1.651   2.188
  483    H    ALA  64           H        ALA  64   9.975   5.810   0.690
  484    HA   ALA  64           HA       ALA  64   8.433   5.174  -1.538
  485    HB1  ALA  64           1HB      ALA  64   9.507   7.878  -0.745
  486    HB2  ALA  64           2HB      ALA  64   8.030   7.132  -0.135
  487    HB3  ALA  64           3HB      ALA  64   8.153   7.580  -1.835
  488    H    GLN  65           H        GLN  65  11.733   6.373  -1.312
  489    HA   GLN  65           HA       GLN  65  11.982   6.913  -4.115
  490    HB2  GLN  65           1HB      GLN  65  14.093   6.617  -1.966
  491    HB3  GLN  65           2HB      GLN  65  14.383   7.221  -3.595
  492    HG2  GLN  65           1HG      GLN  65  12.566   8.486  -1.557
  493    HG3  GLN  65           2HG      GLN  65  14.201   9.010  -1.936
  494   HE21  GLN  65          1HE2      GLN  65  13.918   8.553  -4.795
  495   HE22  GLN  65          2HE2      GLN  65  12.904   9.821  -5.388
  496    H    LYS  66           H        LYS  66  12.582   4.184  -2.021
  497    HA   LYS  66           HA       LYS  66  14.070   2.567  -3.728
  498    HB2  LYS  66           1HB      LYS  66  11.985   1.853  -1.674
  499    HB3  LYS  66           2HB      LYS  66  13.063   0.699  -2.431
  500    HG2  LYS  66           1HG      LYS  66  14.967   2.066  -1.481
  501    HG3  LYS  66           2HG      LYS  66  13.735   2.897  -0.526
  502    HD2  LYS  66           1HD      LYS  66  13.031   0.756   0.430
  503    HD3  LYS  66           2HD      LYS  66  14.262  -0.074  -0.523
  504    HE2  LYS  66           1HE      LYS  66  15.971   1.355   0.629
  505    HE3  LYS  66           2HE      LYS  66  14.685   1.916   1.695
  506    HZ1  LYS  66           3HZ      LYS  66  15.667  -0.865   1.399
  507    HZ2  LYS  66           1HZ      LYS  66  14.299  -0.443   2.308
  508    HZ3  LYS  66           2HZ      LYS  66  15.831   0.134   2.752
  509    H    ASN  67           H        ASN  67  10.642   3.131  -3.417
  510    HA   ASN  67           HA       ASN  67  10.015   1.128  -5.431
  511    HB2  ASN  67           1HB      ASN  67   8.276   2.815  -3.624
  512    HB3  ASN  67           2HB      ASN  67   7.637   1.689  -4.817
  513   HD21  ASN  67          1HD2      ASN  67   9.423   1.996  -1.821
  514   HD22  ASN  67          2HD2      ASN  67   9.240   0.348  -1.331
  515    H    GLU  68           H        GLU  68  11.141   4.057  -5.630
  516    HA   GLU  68           HA       GLU  68  11.107   5.786  -7.083
  517    HB2  GLU  68           1HB      GLU  68   9.843   3.711  -8.881
  518    HB3  GLU  68           2HB      GLU  68  10.510   5.245  -9.423
  519    HG2  GLU  68           1HG      GLU  68  12.710   4.548  -8.513
  520    HG3  GLU  68           2HG      GLU  68  12.010   2.974  -8.141
  521    H    VAL  69           H        VAL  69   9.143   5.993  -5.281
  522    HA   VAL  69           HA       VAL  69   6.579   6.406  -6.515
  523    HB   VAL  69           HB       VAL  69   7.606   7.160  -3.775
  524   HG11  VAL  69          1HG1      VAL  69   5.765   8.624  -4.425
  525   HG12  VAL  69          2HG1      VAL  69   5.261   7.499  -3.162
  526   HG13  VAL  69          3HG1      VAL  69   4.782   7.217  -4.836
  527   HG21  VAL  69          3HG2      VAL  69   7.515   4.759  -4.171
  528   HG22  VAL  69          1HG2      VAL  69   5.834   4.898  -4.685
  529   HG23  VAL  69          2HG2      VAL  69   6.277   5.254  -3.015
  530    H    SER  70           H        SER  70   6.371   8.002  -7.901
  531    HA   SER  70           HA       SER  70   7.423  10.650  -7.173
  532    HB2  SER  70           1HB      SER  70   7.036  10.923  -9.804
  533    HB3  SER  70           2HB      SER  70   8.529  10.247  -9.147
  534    HG   SER  70           HG       SER  70   7.896   8.245  -9.698
  535    H    ALA  71           H        ALA  71   4.707   8.848  -7.255
  536    HA   ALA  71           HA       ALA  71   2.986  11.200  -7.389
  537    HB1  ALA  71           1HB      ALA  71   2.895  10.190  -9.627
  538    HB2  ALA  71           2HB      ALA  71   1.350  10.060  -8.788
  539    HB3  ALA  71           3HB      ALA  71   2.411   8.656  -8.907
  540    H    MET  72           H        MET  72   1.474  11.177  -5.801
  541    HA   MET  72           HA       MET  72   1.279   8.691  -4.243
  542    HB2  MET  72           1HB      MET  72   0.654  10.176  -2.320
  543    HB3  MET  72           2HB      MET  72   2.295  10.392  -2.904
  544    HG2  MET  72           1HG      MET  72   1.541  12.551  -2.524
  545    HG3  MET  72           2HG      MET  72   1.362  12.343  -4.263
  546    HE1  MET  72           3HE      MET  72  -1.667  14.620  -3.613
  547    HE2  MET  72           1HE      MET  72  -0.276  14.275  -4.642
  548    HE3  MET  72           2HE      MET  72  -0.033  14.732  -2.956
  549    HA   PRO  73           HA       PRO  73   0.170   7.906  -2.682
  550    HB2  PRO  73           1HB      PRO  73  -1.587   5.925  -2.291
  551    HB3  PRO  73           2HB      PRO  73  -1.812   7.512  -1.543
  552    HG2  PRO  73           1HG      PRO  73  -3.130   6.350  -3.961
  553    HG3  PRO  73           2HG      PRO  73  -3.833   7.333  -2.664
  554    HD2  PRO  73           1HD      PRO  73  -3.060   8.307  -5.132
  555    HD3  PRO  73           2HD      PRO  73  -3.221   9.288  -3.666
  556    H    THR  74           H        THR  74   0.896   5.584  -2.732
  557    HA   THR  74           HA       THR  74   0.781   4.438  -5.426
  558    HB   THR  74           HB       THR  74   3.217   4.342  -3.642
  559    HG1  THR  74           1HG      THR  74   2.346   6.285  -5.394
  560   HG21  THR  74          3HG2      THR  74   3.161   2.497  -5.178
  561   HG22  THR  74          1HG2      THR  74   4.339   3.669  -5.768
  562   HG23  THR  74          2HG2      THR  74   2.746   3.570  -6.519
  563    H    LEU  75           H        LEU  75  -0.129   2.473  -5.352
  564    HA   LEU  75           HA       LEU  75  -0.163   1.065  -2.770
  565    HB2  LEU  75           1HB      LEU  75  -2.083   1.328  -5.012
  566    HB3  LEU  75           2HB      LEU  75  -2.007  -0.207  -4.177
  567    HG   LEU  75           HG       LEU  75  -3.797   1.297  -3.340
  568   HD11  LEU  75          1HD1      LEU  75  -2.913  -0.428  -1.898
  569   HD12  LEU  75          2HD1      LEU  75  -3.291   1.016  -0.961
  570   HD13  LEU  75          3HD1      LEU  75  -1.617   0.645  -1.372
  571   HD21  LEU  75          3HD2      LEU  75  -1.475   3.018  -2.490
  572   HD22  LEU  75          1HD2      LEU  75  -3.134   3.214  -1.920
  573   HD23  LEU  75          2HD2      LEU  75  -2.753   3.442  -3.627
  574    H    LEU  76           H        LEU  76   1.510  -0.320  -2.812
  575    HA   LEU  76           HA       LEU  76   1.641  -2.150  -5.095
  576    HB2  LEU  76           1HB      LEU  76   3.858  -1.824  -3.102
  577    HB3  LEU  76           2HB      LEU  76   3.950  -2.351  -4.766
  578    HG   LEU  76           HG       LEU  76   5.017  -0.270  -4.651
  579   HD11  LEU  76          1HD1      LEU  76   2.315   0.376  -5.714
  580   HD12  LEU  76          2HD1      LEU  76   3.487  -0.647  -6.540
  581   HD13  LEU  76          3HD1      LEU  76   3.872   1.043  -6.218
  582   HD21  LEU  76          3HD2      LEU  76   2.640   0.975  -3.347
  583   HD22  LEU  76          1HD2      LEU  76   4.199   1.726  -3.684
  584   HD23  LEU  76          2HD2      LEU  76   4.080   0.440  -2.484
  585    H    LEU  77           H        LEU  77   0.746  -4.058  -4.619
  586    HA   LEU  77           HA       LEU  77   1.141  -5.075  -1.914
  587    HB2  LEU  77           1HB      LEU  77  -0.050  -7.025  -3.604
  588    HB3  LEU  77           2HB      LEU  77  -0.732  -6.202  -2.223
  589    HG   LEU  77           HG       LEU  77  -0.828  -5.139  -5.052
  590   HD11  LEU  77          1HD1      LEU  77  -2.116  -7.183  -4.862
  591   HD12  LEU  77          2HD1      LEU  77  -3.231  -5.814  -4.882
  592   HD13  LEU  77          3HD1      LEU  77  -2.852  -6.620  -3.358
  593   HD21  LEU  77          3HD2      LEU  77  -0.989  -3.448  -3.204
  594   HD22  LEU  77          1HD2      LEU  77  -2.430  -4.292  -2.640
  595   HD23  LEU  77          2HD2      LEU  77  -2.413  -3.551  -4.240
  596    H    PHE  78           H        PHE  78   2.844  -6.229  -1.444
  597    HA   PHE  78           HA       PHE  78   4.449  -7.240  -3.674
  598    HB2  PHE  78           1HB      PHE  78   5.110  -6.139  -0.988
  599    HB3  PHE  78           2HB      PHE  78   6.201  -7.328  -1.684
  600    HD1  PHE  78           2HD      PHE  78   7.356  -6.849  -3.793
  601    HD2  PHE  78           1HD      PHE  78   4.998  -3.915  -1.816
  602    HE1  PHE  78           2HE      PHE  78   8.434  -5.094  -5.129
  603    HE2  PHE  78           1HE      PHE  78   6.076  -2.149  -3.147
  604    HZ   PHE  78           HZ       PHE  78   7.794  -2.738  -4.805
  605    H    LYS  79           H        LYS  79   5.667  -9.205  -3.364
  606    HA   LYS  79           HA       LYS  79   4.745 -11.028  -1.292
  607    HB2  LYS  79           1HB      LYS  79   3.153 -11.205  -3.163
  608    HB3  LYS  79           2HB      LYS  79   4.491 -11.568  -4.244
  609    HG2  LYS  79           1HG      LYS  79   4.897 -13.646  -3.069
  610    HG3  LYS  79           2HG      LYS  79   3.637 -13.258  -1.896
  611    HD2  LYS  79           1HD      LYS  79   1.957 -13.306  -3.654
  612    HD3  LYS  79           2HD      LYS  79   3.204 -13.616  -4.861
  613    HE2  LYS  79           1HE      LYS  79   2.068 -15.675  -4.298
  614    HE3  LYS  79           2HE      LYS  79   3.737 -15.735  -3.740
  615    HZ1  LYS  79           3HZ      LYS  79   2.196 -16.604  -2.091
  616    HZ2  LYS  79           1HZ      LYS  79   1.382 -15.121  -2.038
  617    HZ3  LYS  79           2HZ      LYS  79   2.985 -15.230  -1.507
  618    H    ASN  80           H        ASN  80   6.438 -12.120  -0.564
  619    HA   ASN  80           HA       ASN  80   8.561 -12.908  -0.312
  620    HB2  ASN  80           1HB      ASN  80   8.272 -13.600  -3.242
  621    HB3  ASN  80           2HB      ASN  80   9.502 -14.242  -2.165
  622   HD21  ASN  80          1HD2      ASN  80   6.319 -14.507  -3.297
  623   HD22  ASN  80          2HD2      ASN  80   5.837 -15.837  -2.307
  624    H    GLY  81           H        GLY  81   8.344 -10.134  -0.938
  625    HA2  GLY  81           1HA      GLY  81   9.807  -8.396  -1.244
  626    HA3  GLY  81           2HA      GLY  81  11.088  -9.586  -1.407
  627    H    LYS  82           H        LYS  82   8.570 -10.182  -3.604
  628    HA   LYS  82           HA       LYS  82  10.233  -9.032  -5.729
  629    HB2  LYS  82           1HB      LYS  82   8.074 -11.150  -5.830
  630    HB3  LYS  82           2HB      LYS  82   9.020 -10.597  -7.195
  631    HG2  LYS  82           1HG      LYS  82  10.098 -11.991  -4.764
  632    HG3  LYS  82           2HG      LYS  82   9.839 -12.722  -6.348
  633    HD2  LYS  82           1HD      LYS  82  11.479 -11.232  -7.335
  634    HD3  LYS  82           2HD      LYS  82  11.691 -10.407  -5.790
  635    HE2  LYS  82           1HE      LYS  82  12.270 -13.320  -6.284
  636    HE3  LYS  82           2HE      LYS  82  13.479 -12.039  -6.277
  637    HZ1  LYS  82           3HZ      LYS  82  12.944 -11.581  -3.979
  638    HZ2  LYS  82           1HZ      LYS  82  13.369 -13.207  -4.157
  639    HZ3  LYS  82           2HZ      LYS  82  11.745 -12.773  -3.980
  640    H    GLU  83           H        GLU  83   6.844  -9.872  -5.537
  641    HA   GLU  83           HA       GLU  83   5.602  -7.545  -5.026
  642    HB2  GLU  83           1HB      GLU  83   4.948  -6.599  -7.198
  643    HB3  GLU  83           2HB      GLU  83   6.688  -6.500  -6.979
  644    HG2  GLU  83           1HG      GLU  83   7.060  -8.302  -8.481
  645    HG3  GLU  83           2HG      GLU  83   5.340  -8.684  -8.540
  646    H    VAL  84           H        VAL  84   3.390  -7.505  -6.445
  647    HA   VAL  84           HA       VAL  84   2.670 -10.057  -7.518
  648    HB   VAL  84           HB       VAL  84   2.212 -10.046  -4.953
  649   HG11  VAL  84          1HG1      VAL  84  -0.198  -8.544  -5.934
  650   HG12  VAL  84          2HG1      VAL  84   1.057  -7.922  -4.862
  651   HG13  VAL  84          3HG1      VAL  84   0.013  -9.239  -4.328
  652   HG21  VAL  84          3HG2      VAL  84   0.216 -11.445  -5.285
  653   HG22  VAL  84          1HG2      VAL  84   1.539 -11.838  -6.388
  654   HG23  VAL  84          2HG2      VAL  84   0.158 -10.905  -6.965
  655    H    ALA  85           H        ALA  85   1.983  -6.757  -6.667
  656    HA   ALA  85           HA       ALA  85   0.980  -6.222  -9.308
  657    HB1  ALA  85           1HB      ALA  85  -0.866  -5.854  -6.956
  658    HB2  ALA  85           2HB      ALA  85  -1.094  -6.980  -8.295
  659    HB3  ALA  85           3HB      ALA  85  -1.148  -5.238  -8.582
  660    H    LYS  86           H        LYS  86   0.640  -3.920  -9.648
  661    HA   LYS  86           HA       LYS  86   1.531  -2.181  -7.514
  662    HB2  LYS  86           1HB      LYS  86   3.631  -2.628  -8.549
  663    HB3  LYS  86           2HB      LYS  86   2.953  -2.457 -10.159
  664    HG2  LYS  86           1HG      LYS  86   2.803  -0.117  -9.963
  665    HG3  LYS  86           2HG      LYS  86   3.086  -0.164  -8.226
  666    HD2  LYS  86           1HD      LYS  86   5.362  -1.148  -8.769
  667    HD3  LYS  86           2HD      LYS  86   5.039  -0.710 -10.447
  668    HE2  LYS  86           1HE      LYS  86   4.759   1.634  -9.776
  669    HE3  LYS  86           2HE      LYS  86   5.095   1.189  -8.102
  670    HZ1  LYS  86           3HZ      LYS  86   6.972   0.951 -10.391
  671    HZ2  LYS  86           1HZ      LYS  86   7.300   0.433  -8.813
  672    HZ3  LYS  86           2HZ      LYS  86   7.061   2.076  -9.134
  673    H    VAL  87           H        VAL  87   0.210  -0.510  -7.391
  674    HA   VAL  87           HA       VAL  87  -0.868   0.614  -9.897
  675    HB   VAL  87           HB       VAL  87  -2.285   0.778  -7.231
  676   HG11  VAL  87          1HG1      VAL  87  -2.823   2.514  -8.852
  677   HG12  VAL  87          2HG1      VAL  87  -4.198   1.437  -8.602
  678   HG13  VAL  87          3HG1      VAL  87  -3.212   1.284 -10.055
  679   HG21  VAL  87          3HG2      VAL  87  -2.158  -1.586  -7.933
  680   HG22  VAL  87          1HG2      VAL  87  -2.912  -1.153  -9.466
  681   HG23  VAL  87          2HG2      VAL  87  -3.809  -0.960  -7.957
  682    H    VAL  88           H        VAL  88  -0.622   2.781 -10.151
  683    HA   VAL  88           HA       VAL  88   0.868   4.127  -7.996
  684    HB   VAL  88           HB       VAL  88   1.406   4.690 -10.892
  685   HG11  VAL  88          1HG1      VAL  88   3.030   4.940  -8.362
  686   HG12  VAL  88          2HG1      VAL  88   2.304   6.254  -9.291
  687   HG13  VAL  88          3HG1      VAL  88   3.624   5.309  -9.982
  688   HG21  VAL  88          3HG2      VAL  88   2.844   2.584  -9.283
  689   HG22  VAL  88          1HG2      VAL  88   3.125   3.020 -10.968
  690   HG23  VAL  88          2HG2      VAL  88   1.612   2.228 -10.499
  691    H    GLY  89           H        GLY  89  -1.225   4.991  -7.412
  692    HA2  GLY  89           1HA      GLY  89  -1.595   7.616  -8.042
  693    HA3  GLY  89           2HA      GLY  89  -2.606   6.754  -9.198
  694    H    ALA  90           H        ALA  90  -4.199   8.137  -7.904
  695    HA   ALA  90           HA       ALA  90  -4.936   7.203  -5.298
  696    HB1  ALA  90           1HB      ALA  90  -5.383   9.506  -6.159
  697    HB2  ALA  90           2HB      ALA  90  -6.800   8.698  -5.488
  698    HB3  ALA  90           3HB      ALA  90  -6.596   8.812  -7.236
  699    H    ASN  91           H        ASN  91  -5.380   5.001  -5.338
  700    HA   ASN  91           HA       ASN  91  -7.405   4.154  -7.290
  701    HB2  ASN  91           1HB      ASN  91  -6.344   1.945  -7.320
  702    HB3  ASN  91           2HB      ASN  91  -5.233   3.211  -7.835
  703   HD21  ASN  91          1HD2      ASN  91  -4.878   0.490  -6.685
  704   HD22  ASN  91          2HD2      ASN  91  -3.822   0.705  -5.340
  705    HA   PRO  92           HA       PRO  92  -9.342   2.728  -3.333
  706    HB2  PRO  92           1HB      PRO  92 -11.671   4.233  -4.255
  707    HB3  PRO  92           2HB      PRO  92 -10.848   4.313  -2.695
  708    HG2  PRO  92           1HG      PRO  92 -10.787   6.335  -4.512
  709    HG3  PRO  92           2HG      PRO  92  -9.477   6.023  -3.359
  710    HD2  PRO  92           1HD      PRO  92  -9.658   5.321  -6.265
  711    HD3  PRO  92           2HD      PRO  92  -8.264   5.903  -5.332
  712    H    ALA  93           H        ALA  93 -10.317   3.366  -6.666
  713    HA   ALA  93           HA       ALA  93 -12.032   1.021  -6.767
  714    HB1  ALA  93           1HB      ALA  93 -11.305   2.867  -9.029
  715    HB2  ALA  93           2HB      ALA  93 -12.641   3.150  -7.918
  716    HB3  ALA  93           3HB      ALA  93 -12.648   1.728  -8.960
  717    H    ALA  94           H        ALA  94  -8.982   2.150  -8.183
  718    HA   ALA  94           HA       ALA  94  -8.568  -0.250  -9.693
  719    HB1  ALA  94           1HB      ALA  94  -6.275   0.666 -10.059
  720    HB2  ALA  94           2HB      ALA  94  -6.727   2.039  -9.047
  721    HB3  ALA  94           3HB      ALA  94  -7.591   1.730 -10.545
  722    H    ILE  95           H        ILE  95  -7.927   0.622  -6.381
  723    HA   ILE  95           HA       ILE  95  -5.994  -1.317  -5.814
  724    HB   ILE  95           HB       ILE  95  -7.040   0.264  -4.096
  725   HG12  ILE  95          1HG1      ILE  95  -6.614  -1.255  -2.226
  726   HG13  ILE  95          2HG1      ILE  95  -6.792  -2.661  -3.280
  727   HG21  ILE  95          1HG2      ILE  95  -9.074  -1.944  -3.903
  728   HG22  ILE  95          2HG2      ILE  95  -9.375  -0.311  -4.515
  729   HG23  ILE  95          3HG2      ILE  95  -8.934  -0.550  -2.824
  730   HD11  ILE  95          3HD1      ILE  95  -4.785  -2.046  -4.470
  731   HD12  ILE  95          1HD1      ILE  95  -4.456  -2.130  -2.741
  732   HD13  ILE  95          2HD1      ILE  95  -4.641  -0.563  -3.529
  733    H    LYS  96           H        LYS  96  -9.431  -1.516  -6.376
  734    HA   LYS  96           HA       LYS  96  -9.863  -4.180  -5.711
  735    HB2  LYS  96           1HB      LYS  96 -11.189  -2.497  -7.836
  736    HB3  LYS  96           2HB      LYS  96 -11.742  -4.106  -7.395
  737    HG2  LYS  96           1HG      LYS  96 -11.588  -1.728  -5.552
  738    HG3  LYS  96           2HG      LYS  96 -13.054  -2.377  -6.292
  739    HD2  LYS  96           1HD      LYS  96 -11.243  -3.950  -4.468
  740    HD3  LYS  96           2HD      LYS  96 -12.682  -3.086  -3.920
  741    HE2  LYS  96           1HE      LYS  96 -12.654  -5.274  -5.998
  742    HE3  LYS  96           2HE      LYS  96 -13.073  -5.499  -4.303
  743    HZ1  LYS  96           3HZ      LYS  96 -14.519  -3.764  -6.230
  744    HZ2  LYS  96           1HZ      LYS  96 -14.912  -3.955  -4.597
  745    HZ3  LYS  96           2HZ      LYS  96 -15.044  -5.266  -5.660
  746    H    GLN  97           H        GLN  97  -8.491  -2.746  -8.576
  747    HA   GLN  97           HA       GLN  97  -8.356  -4.980 -10.240
  748    HB2  GLN  97           1HB      GLN  97  -7.814  -2.670 -10.942
  749    HB3  GLN  97           2HB      GLN  97  -6.377  -2.702  -9.939
  750    HG2  GLN  97           1HG      GLN  97  -6.667  -4.785 -12.044
  751    HG3  GLN  97           2HG      GLN  97  -6.277  -3.140 -12.536
  752   HE21  GLN  97          1HE2      GLN  97  -5.136  -6.006 -10.957
  753   HE22  GLN  97          2HE2      GLN  97  -3.487  -5.500 -10.779
  754    H    ALA  98           H        ALA  98  -5.908  -3.746  -7.946
  755    HA   ALA  98           HA       ALA  98  -4.305  -6.133  -8.244
  756    HB1  ALA  98           1HB      ALA  98  -4.023  -3.866  -6.262
  757    HB2  ALA  98           2HB      ALA  98  -3.281  -3.916  -7.859
  758    HB3  ALA  98           3HB      ALA  98  -2.792  -5.080  -6.626
  759    H    ILE  99           H        ILE  99  -6.745  -5.070  -6.160
  760    HA   ILE  99           HA       ILE  99  -6.052  -6.667  -3.904
  761    HB   ILE  99           HB       ILE  99  -7.631  -4.463  -4.259
  762   HG12  ILE  99          1HG1      ILE  99  -6.564  -5.106  -2.194
  763   HG13  ILE  99          2HG1      ILE  99  -8.265  -4.738  -1.909
  764   HG21  ILE  99          1HG2      ILE  99  -9.887  -4.880  -3.774
  765   HG22  ILE  99          2HG2      ILE  99  -9.597  -6.607  -3.554
  766   HG23  ILE  99          3HG2      ILE  99  -9.476  -5.892  -5.162
  767   HD11  ILE  99          3HD1      ILE  99  -7.216  -6.874  -0.861
  768   HD12  ILE  99          1HD1      ILE  99  -7.481  -7.547  -2.473
  769   HD13  ILE  99          2HD1      ILE  99  -8.843  -6.919  -1.545
  770    H    ALA 100           H        ALA 100  -8.406  -6.923  -6.513
  771    HA   ALA 100           HA       ALA 100  -9.486  -9.358  -5.405
  772    HB1  ALA 100           1HB      ALA 100 -10.999  -7.757  -6.461
  773    HB2  ALA 100           2HB      ALA 100 -11.033  -9.310  -7.295
  774    HB3  ALA 100           3HB      ALA 100 -10.148  -7.954  -7.992
  775    H    ALA 101           H        ALA 101  -7.363  -8.340  -7.997
  776    HA   ALA 101           HA       ALA 101  -7.181 -10.854  -9.278
  777    HB1  ALA 101           1HB      ALA 101  -5.192  -9.975 -10.358
  778    HB2  ALA 101           2HB      ALA 101  -5.136  -8.639  -9.209
  779    HB3  ALA 101           3HB      ALA 101  -6.473  -8.763 -10.351
  780    H    ASN 102           H        ASN 102  -5.363  -9.349  -6.603
  781    HA   ASN 102           HA       ASN 102  -3.866 -11.902  -6.435
  782    HB2  ASN 102           1HB      ASN 102  -2.936  -9.246  -5.358
  783    HB3  ASN 102           2HB      ASN 102  -2.001 -10.733  -5.498
  784   HD21  ASN 102          1HD2      ASN 102  -3.190  -7.957  -7.087
  785   HD22  ASN 102          2HD2      ASN 102  -2.413  -8.215  -8.616
  786    H    ALA 103           H        ALA 103  -4.372  -9.281  -4.099
  787    HA   ALA 103           HA       ALA 103  -3.959 -10.808  -1.841
  788    HB1  ALA 103           1HB      ALA 103  -4.960  -8.998  -0.574
  789    HB2  ALA 103           2HB      ALA 103  -5.718  -8.371  -2.037
  790    HB3  ALA 103           3HB      ALA 103  -3.963  -8.357  -1.881
  Start of MODEL    6
    1    H1   MET   1           1H       MET   1  -9.679  -2.355  10.239
    2    H2   MET   1           2H       MET   1  -8.409  -3.455  10.046
    3    H3   MET   1           3H       MET   1  -8.864  -2.458   8.756
    4    HA   MET   1           HA       MET   1  -8.170  -0.512   9.961
    5    HB2  MET   1           1HB      MET   1  -8.613  -1.391  12.222
    6    HB3  MET   1           2HB      MET   1  -7.265  -2.505  12.051
    7    HG2  MET   1           1HG      MET   1  -5.707  -0.663  11.949
    8    HG3  MET   1           2HG      MET   1  -7.033   0.495  11.998
    9    HE1  MET   1           3HE      MET   1  -5.906  -2.270  15.522
   10    HE2  MET   1           1HE      MET   1  -5.060  -2.259  13.974
   11    HE3  MET   1           2HE      MET   1  -6.717  -2.857  14.070
   12    H    VAL   2           H        VAL   2  -6.272   0.257   9.209
   13    HA   VAL   2           HA       VAL   2  -4.324  -1.754   8.310
   14    HB   VAL   2           HB       VAL   2  -4.965  -1.029   6.291
   15   HG11  VAL   2          1HG1      VAL   2  -5.899   1.158   5.767
   16   HG12  VAL   2          2HG1      VAL   2  -5.620   1.674   7.434
   17   HG13  VAL   2          3HG1      VAL   2  -6.764   0.373   7.091
   18   HG21  VAL   2          3HG2      VAL   2  -3.321   1.415   6.752
   19   HG22  VAL   2          1HG2      VAL   2  -3.378   0.346   5.350
   20   HG23  VAL   2          2HG2      VAL   2  -2.589  -0.184   6.832
   21    H    THR   3           H        THR   3  -2.268  -1.527   8.709
   22    HA   THR   3           HA       THR   3  -1.466   0.254  10.820
   23    HB   THR   3           HB       THR   3  -0.507  -2.215   9.541
   24    HG1  THR   3           1HG      THR   3  -0.321  -2.837  11.609
   25   HG21  THR   3          3HG2      THR   3   1.387  -0.694   9.068
   26   HG22  THR   3          1HG2      THR   3   1.806  -2.002  10.191
   27   HG23  THR   3          2HG2      THR   3   1.517  -0.374  10.806
   28    H    GLN   4           H        GLN   4   0.117   1.786  10.768
   29    HA   GLN   4           HA       GLN   4   1.139   2.600   8.147
   30    HB2  GLN   4           1HB      GLN   4   1.962   4.605   9.655
   31    HB3  GLN   4           2HB      GLN   4   0.317   4.538   9.048
   32    HG2  GLN   4           1HG      GLN   4   0.227   5.207  11.324
   33    HG3  GLN   4           2HG      GLN   4  -0.380   3.552  11.222
   34   HE21  GLN   4          1HE2      GLN   4   2.410   5.514  12.111
   35   HE22  GLN   4          2HE2      GLN   4   3.067   4.381  13.239
   36    H    PHE   5           H        PHE   5   3.342   2.622   7.712
   37    HA   PHE   5           HA       PHE   5   5.034   1.354   9.741
   38    HB2  PHE   5           1HB      PHE   5   5.478   1.747   6.785
   39    HB3  PHE   5           2HB      PHE   5   6.740   1.203   7.872
   40    HD1  PHE   5           1HD      PHE   5   4.816  -0.543   9.586
   41    HD2  PHE   5           2HD      PHE   5   5.525  -0.182   5.409
   42    HE1  PHE   5           1HE      PHE   5   4.119  -2.880   9.267
   43    HE2  PHE   5           2HE      PHE   5   4.829  -2.514   5.075
   44    HZ   PHE   5           HZ       PHE   5   4.123  -3.867   7.012
   45    H    LYS   6           H        LYS   6   7.174   2.183  10.071
   46    HA   LYS   6           HA       LYS   6   7.256   5.107   9.815
   47    HB2  LYS   6           1HB      LYS   6   8.286   5.163  12.066
   48    HB3  LYS   6           2HB      LYS   6   6.641   4.534  12.080
   49    HG2  LYS   6           1HG      LYS   6   7.694   2.226  12.010
   50    HG3  LYS   6           2HG      LYS   6   9.218   3.026  12.377
   51    HD2  LYS   6           1HD      LYS   6   8.283   3.929  14.426
   52    HD3  LYS   6           2HD      LYS   6   6.715   3.210  14.048
   53    HE2  LYS   6           1HE      LYS   6   7.761   0.977  14.110
   54    HE3  LYS   6           2HE      LYS   6   9.290   1.726  14.566
   55    HZ1  LYS   6           3HZ      LYS   6   8.141   0.883  16.495
   56    HZ2  LYS   6           1HZ      LYS   6   6.770   1.808  16.136
   57    HZ3  LYS   6           2HZ      LYS   6   8.216   2.569  16.571
   58    H    THR   7           H        THR   7   8.899   2.129   9.416
   59    HA   THR   7           HA       THR   7  11.301   3.597   8.616
   60    HB   THR   7           HB       THR   7  12.694   1.677   9.318
   61    HG1  THR   7           1HG      THR   7  11.417   0.452  11.106
   62   HG21  THR   7          3HG2      THR   7  12.540   3.659  10.735
   63   HG22  THR   7          1HG2      THR   7  12.689   2.199  11.712
   64   HG23  THR   7          2HG2      THR   7  11.121   2.986  11.533
   65    H    ALA   8           H        ALA   8  12.449   2.802   6.866
   66    HA   ALA   8           HA       ALA   8  10.999   1.558   4.809
   67    HB1  ALA   8           1HB      ALA   8  13.108   1.432   3.628
   68    HB2  ALA   8           2HB      ALA   8  14.003   1.669   5.129
   69    HB3  ALA   8           3HB      ALA   8  13.012   2.974   4.480
   70    H    SER   9           H        SER   9  13.004   0.351   7.380
   71    HA   SER   9           HA       SER   9  13.297  -2.309   6.481
   72    HB2  SER   9           1HB      SER   9  14.659  -1.179   8.280
   73    HB3  SER   9           2HB      SER   9  13.270  -1.356   9.350
   74    HG   SER   9           HG       SER   9  14.790  -3.408   8.119
   75    H    GLU  10           H        GLU  10  10.786  -0.618   8.334
   76    HA   GLU  10           HA       GLU  10   9.316  -2.907   9.121
   77    HB2  GLU  10           1HB      GLU  10   8.577  -0.045   8.605
   78    HB3  GLU  10           2HB      GLU  10   7.328  -1.231   8.948
   79    HG2  GLU  10           1HG      GLU  10   9.681  -0.765  10.748
   80    HG3  GLU  10           2HG      GLU  10   8.154   0.099  10.905
   81    H    PHE  11           H        PHE  11   9.106  -0.861   6.261
   82    HA   PHE  11           HA       PHE  11   7.068  -2.308   4.950
   83    HB2  PHE  11           1HB      PHE  11   7.277  -0.224   4.063
   84    HB3  PHE  11           2HB      PHE  11   9.023  -0.183   4.257
   85    HD1  PHE  11           1HD      PHE  11   6.260  -1.217   2.077
   86    HD2  PHE  11           2HD      PHE  11  10.480  -0.925   2.513
   87    HE1  PHE  11           1HE      PHE  11   6.527  -1.615  -0.335
   88    HE2  PHE  11           2HE      PHE  11  10.759  -1.330   0.100
   89    HZ   PHE  11           HZ       PHE  11   8.781  -1.672  -1.327
   90    H    ASP  12           H        ASP  12  10.589  -2.417   4.710
   91    HA   ASP  12           HA       ASP  12  10.816  -4.238   2.612
   92    HB2  ASP  12           1HB      ASP  12  12.681  -2.891   3.503
   93    HB3  ASP  12           2HB      ASP  12  12.682  -3.873   4.963
   94    H    SER  13           H        SER  13  10.763  -4.849   6.115
   95    HA   SER  13           HA       SER  13  11.065  -7.658   5.851
   96    HB2  SER  13           1HB      SER  13   9.925  -6.108   8.190
   97    HB3  SER  13           2HB      SER  13  10.583  -7.745   8.234
   98    HG   SER  13           HG       SER  13  11.913  -5.283   7.961
   99    H    ALA  14           H        ALA  14   8.306  -5.533   5.793
  100    HA   ALA  14           HA       ALA  14   6.335  -7.541   6.217
  101    HB1  ALA  14           1HB      ALA  14   4.759  -5.901   5.255
  102    HB2  ALA  14           2HB      ALA  14   6.128  -4.869   4.835
  103    HB3  ALA  14           3HB      ALA  14   5.768  -5.210   6.529
  104    H    ILE  15           H        ILE  15   7.599  -5.970   3.287
  105    HA   ILE  15           HA       ILE  15   5.939  -7.424   1.531
  106    HB   ILE  15           HB       ILE  15   7.403  -6.608  -0.266
  107   HG12  ILE  15          1HG1      ILE  15   9.034  -5.291   1.903
  108   HG13  ILE  15          2HG1      ILE  15   9.512  -6.799   1.135
  109   HG21  ILE  15          1HG2      ILE  15   6.743  -4.516   1.805
  110   HG22  ILE  15          2HG2      ILE  15   5.613  -5.195   0.635
  111   HG23  ILE  15          3HG2      ILE  15   6.983  -4.231   0.081
  112   HD11  ILE  15          3HD1      ILE  15   9.570  -5.663  -1.028
  113   HD12  ILE  15          1HD1      ILE  15  10.657  -4.915   0.141
  114   HD13  ILE  15          2HD1      ILE  15   9.111  -4.154  -0.239
  115    H    ALA  16           H        ALA  16   8.898  -8.224   3.118
  116    HA   ALA  16           HA       ALA  16   9.677 -10.273   1.240
  117    HB1  ALA  16           1HB      ALA  16  11.312  -9.023   2.612
  118    HB2  ALA  16           2HB      ALA  16  11.440 -10.774   2.800
  119    HB3  ALA  16           3HB      ALA  16  10.653  -9.809   4.049
  120    H    GLN  17           H        GLN  17   7.218 -10.134   3.413
  121    HA   GLN  17           HA       GLN  17   7.495 -12.716   4.617
  122    HB2  GLN  17           1HB      GLN  17   5.153 -10.816   4.430
  123    HB3  GLN  17           2HB      GLN  17   5.109 -12.330   5.322
  124    HG2  GLN  17           1HG      GLN  17   6.823 -11.562   6.816
  125    HG3  GLN  17           2HG      GLN  17   7.050 -10.098   5.863
  126   HE21  GLN  17          1HE2      GLN  17   6.625  -8.806   7.653
  127   HE22  GLN  17          2HE2      GLN  17   5.017  -8.581   8.255
  128    H    ASP  18           H        ASP  18   5.983 -14.478   4.296
  129    HA   ASP  18           HA       ASP  18   5.584 -15.076   1.502
  130    HB2  ASP  18           1HB      ASP  18   6.427 -16.764   3.117
  131    HB3  ASP  18           2HB      ASP  18   4.896 -16.684   3.975
  132    H    LYS  19           H        LYS  19   4.033 -12.931   2.677
  133    HA   LYS  19           HA       LYS  19   1.332 -13.910   2.097
  134    HB2  LYS  19           1HB      LYS  19   0.393 -13.096   3.993
  135    HB3  LYS  19           2HB      LYS  19   1.952 -13.572   4.627
  136    HG2  LYS  19           1HG      LYS  19   2.699 -11.385   4.817
  137    HG3  LYS  19           2HG      LYS  19   1.499 -10.773   3.673
  138    HD2  LYS  19           1HD      LYS  19   0.884 -11.886   6.410
  139    HD3  LYS  19           2HD      LYS  19   0.969 -10.170   6.006
  140    HE2  LYS  19           1HE      LYS  19  -0.900 -10.339   4.540
  141    HE3  LYS  19           2HE      LYS  19  -0.890 -12.099   4.620
  142    HZ1  LYS  19           3HZ      LYS  19  -2.632 -11.252   6.006
  143    HZ2  LYS  19           1HZ      LYS  19  -1.566 -10.221   6.830
  144    HZ3  LYS  19           2HZ      LYS  19  -1.434 -11.901   7.004
  145    H    LEU  20           H        LEU  20  -0.153 -11.985   1.768
  146    HA   LEU  20           HA       LEU  20   1.114 -10.302  -0.200
  147    HB2  LEU  20           1HB      LEU  20  -1.117 -11.460  -0.483
  148    HB3  LEU  20           2HB      LEU  20  -1.768 -10.340   0.687
  149    HG   LEU  20           HG       LEU  20  -2.294  -9.737  -1.653
  150   HD11  LEU  20          1HD1      LEU  20  -0.568  -7.717  -0.256
  151   HD12  LEU  20          2HD1      LEU  20  -2.280  -8.012   0.052
  152   HD13  LEU  20          3HD1      LEU  20  -1.762  -7.386  -1.512
  153   HD21  LEU  20          3HD2      LEU  20  -0.296 -10.503  -2.757
  154   HD22  LEU  20          1HD2      LEU  20   0.669  -9.308  -1.885
  155   HD23  LEU  20          2HD2      LEU  20  -0.535  -8.782  -3.060
  156    H    VAL  21           H        VAL  21   2.030  -8.447   0.354
  157    HA   VAL  21           HA       VAL  21   0.833  -6.894   2.555
  158    HB   VAL  21           HB       VAL  21   3.713  -7.012   1.630
  159   HG11  VAL  21          1HG1      VAL  21   2.493  -5.170   3.682
  160   HG12  VAL  21          2HG1      VAL  21   3.067  -4.684   2.087
  161   HG13  VAL  21          3HG1      VAL  21   4.207  -5.298   3.288
  162   HG21  VAL  21          3HG2      VAL  21   4.116  -7.702   3.955
  163   HG22  VAL  21          1HG2      VAL  21   3.032  -8.811   3.115
  164   HG23  VAL  21          2HG2      VAL  21   2.381  -7.643   4.263
  165    H    VAL  22           H        VAL  22  -0.449  -5.399   1.662
  166    HA   VAL  22           HA       VAL  22   0.545  -3.953  -0.664
  167    HB   VAL  22           HB       VAL  22  -1.518  -4.431  -1.361
  168   HG11  VAL  22          1HG1      VAL  22  -2.384  -4.556   1.499
  169   HG12  VAL  22          2HG1      VAL  22  -2.192  -5.879   0.340
  170   HG13  VAL  22          3HG1      VAL  22  -3.499  -4.711   0.141
  171   HG21  VAL  22          3HG2      VAL  22  -2.160  -2.065   0.381
  172   HG22  VAL  22          1HG2      VAL  22  -3.158  -2.654  -0.948
  173   HG23  VAL  22          2HG2      VAL  22  -1.544  -2.023  -1.271
  174    H    VAL  23           H        VAL  23   1.808  -2.423  -0.136
  175    HA   VAL  23           HA       VAL  23   1.270  -0.697   2.172
  176    HB   VAL  23           HB       VAL  23   3.710  -1.305   0.517
  177   HG11  VAL  23          1HG1      VAL  23   3.662   1.125   0.791
  178   HG12  VAL  23          2HG1      VAL  23   4.949   0.392   1.749
  179   HG13  VAL  23          3HG1      VAL  23   3.461   0.921   2.531
  180   HG21  VAL  23          3HG2      VAL  23   3.253  -1.343   3.494
  181   HG22  VAL  23          1HG2      VAL  23   4.644  -1.979   2.622
  182   HG23  VAL  23          2HG2      VAL  23   3.066  -2.742   2.440
  183    H    ALA  24           H        ALA  24   0.861   1.481   1.960
  184    HA   ALA  24           HA       ALA  24   1.159   2.700  -0.699
  185    HB1  ALA  24           1HB      ALA  24  -1.258   2.161  -0.047
  186    HB2  ALA  24           2HB      ALA  24  -0.892   3.780  -0.636
  187    HB3  ALA  24           3HB      ALA  24  -1.088   3.496   1.090
  188    H    PHE  25           H        PHE  25   2.026   4.655  -0.794
  189    HA   PHE  25           HA       PHE  25   3.068   5.778   1.671
  190    HB2  PHE  25           1HB      PHE  25   3.530   6.334  -1.242
  191    HB3  PHE  25           2HB      PHE  25   4.184   7.380   0.020
  192    HD1  PHE  25           2HD      PHE  25   5.407   6.000   1.968
  193    HD2  PHE  25           1HD      PHE  25   4.911   4.691  -2.052
  194    HE1  PHE  25           2HE      PHE  25   7.316   4.475   2.231
  195    HE2  PHE  25           1HE      PHE  25   6.827   3.163  -1.793
  196    HZ   PHE  25           HZ       PHE  25   8.027   3.055   0.351
  197    H    TYR  26           H        TYR  26   2.259   7.453   2.699
  198    HA   TYR  26           HA       TYR  26   0.151   9.088   1.420
  199    HB2  TYR  26           1HB      TYR  26   0.426   8.036   4.228
  200    HB3  TYR  26           2HB      TYR  26  -0.540   9.459   3.893
  201    HD1  TYR  26           1HD      TYR  26  -0.501   6.703   1.470
  202    HD2  TYR  26           2HD      TYR  26  -2.462   8.399   4.841
  203    HE1  TYR  26           1HE      TYR  26  -2.448   5.253   1.069
  204    HE2  TYR  26           2HE      TYR  26  -4.405   6.963   4.446
  205    HH   TYR  26           HH       TYR  26  -5.427   5.755   2.549
  206    H    ALA  27           H        ALA  27  -0.147  11.050   3.159
  207    HA   ALA  27           HA       ALA  27   2.243  12.013   4.361
  208    HB1  ALA  27           1HB      ALA  27   1.248  13.472   1.907
  209    HB2  ALA  27           2HB      ALA  27   2.768  12.585   2.035
  210    HB3  ALA  27           3HB      ALA  27   2.508  14.035   3.005
  211    H    THR  28           H        THR  28   1.796  14.345   5.192
  212    HA   THR  28           HA       THR  28  -0.713  14.399   6.496
  213    HB   THR  28           HB       THR  28   0.067  16.871   6.939
  214    HG1  THR  28           1HG      THR  28   2.172  17.256   6.466
  215   HG21  THR  28          3HG2      THR  28   1.556  14.452   7.961
  216   HG22  THR  28          1HG2      THR  28   0.073  15.130   8.630
  217   HG23  THR  28          2HG2      THR  28   1.577  16.046   8.713
  218    H    TRP  29           H        TRP  29   0.364  15.504   3.450
  219    HA   TRP  29           HA       TRP  29  -2.015  17.153   3.057
  220    HB2  TRP  29           1HB      TRP  29  -0.851  17.910   0.985
  221    HB3  TRP  29           2HB      TRP  29   0.021  18.278   2.465
  222    HD1  TRP  29           HD       TRP  29   0.097  15.791  -0.447
  223    HE1  TRP  29           1HE      TRP  29   2.534  14.997  -0.789
  224    HE3  TRP  29           3HE      TRP  29   2.248  18.097   3.557
  225    HZ2  TRP  29           2HZ      TRP  29   5.027  15.317   0.491
  226    HZ3  TRP  29           3HZ      TRP  29   4.660  17.805   3.935
  227    HH2  TRP  29           HH       TRP  29   6.020  16.443   2.433
  228    H    CYS  30           H        CYS  30  -1.761  16.736   0.130
  229    HA   CYS  30           HA       CYS  30  -2.699  15.570  -1.514
  230    HB2  CYS  30           1HB      CYS  30  -2.197  13.186  -1.746
  231    HB3  CYS  30           2HB      CYS  30  -0.778  14.143  -1.358
  232    H    GLY  31           H        GLY  31  -4.745  15.900  -1.527
  233    HA2  GLY  31           1HA      GLY  31  -6.730  14.926   0.132
  234    HA3  GLY  31           2HA      GLY  31  -6.961  15.369  -1.548
  235    HA   PRO  32           HA       PRO  32  -7.304  11.175  -2.980
  236    HB2  PRO  32           1HB      PRO  32  -4.439  10.575  -3.480
  237    HB3  PRO  32           2HB      PRO  32  -5.826  10.441  -4.563
  238    HG2  PRO  32           1HG      PRO  32  -4.092  12.410  -4.874
  239    HG3  PRO  32           2HG      PRO  32  -5.832  12.714  -5.044
  240    HD2  PRO  32           1HD      PRO  32  -4.031  13.287  -2.713
  241    HD3  PRO  32           2HD      PRO  32  -5.280  14.316  -3.431
  242    H    CYS  33           H        CYS  33  -4.282  11.285  -1.107
  243    HA   CYS  33           HA       CYS  33  -4.273   8.706  -0.064
  244    HB2  CYS  33           1HB      CYS  33  -3.467  11.148   1.512
  245    HB3  CYS  33           2HB      CYS  33  -2.764   9.535   1.570
  246    H    LYS  34           H        LYS  34  -5.994  11.567   1.002
  247    HA   LYS  34           HA       LYS  34  -6.917  10.502   3.440
  248    HB2  LYS  34           1HB      LYS  34  -8.066  12.713   1.731
  249    HB3  LYS  34           2HB      LYS  34  -8.508  12.387   3.403
  250    HG2  LYS  34           1HG      LYS  34  -6.189  12.817   4.083
  251    HG3  LYS  34           2HG      LYS  34  -5.781  13.192   2.409
  252    HD2  LYS  34           1HD      LYS  34  -7.311  15.066   2.422
  253    HD3  LYS  34           2HD      LYS  34  -7.843  14.656   4.053
  254    HE2  LYS  34           1HE      LYS  34  -5.518  15.013   4.845
  255    HE3  LYS  34           2HE      LYS  34  -5.084  15.546   3.221
  256    HZ1  LYS  34           3HZ      LYS  34  -5.554  17.410   4.686
  257    HZ2  LYS  34           1HZ      LYS  34  -7.115  16.826   4.968
  258    HZ3  LYS  34           2HZ      LYS  34  -6.672  17.346   3.421
  259    H    MET  35           H        MET  35  -8.559  10.820   0.274
  260    HA   MET  35           HA       MET  35 -11.008   9.767   1.162
  261    HB2  MET  35           1HB      MET  35 -11.560   9.499  -1.232
  262    HB3  MET  35           2HB      MET  35 -10.954  11.097  -0.827
  263    HG2  MET  35           1HG      MET  35  -8.751  10.445  -1.691
  264    HG3  MET  35           2HG      MET  35  -9.414   8.875  -2.130
  265    HE1  MET  35           3HE      MET  35 -12.022   9.851  -4.892
  266    HE2  MET  35           1HE      MET  35 -12.334   9.704  -3.163
  267    HE3  MET  35           2HE      MET  35 -11.297   8.531  -3.976
  268    H    ILE  36           H        ILE  36  -8.311   8.092  -0.499
  269    HA   ILE  36           HA       ILE  36  -9.816   5.650  -0.481
  270    HB   ILE  36           HB       ILE  36  -8.379   4.972  -2.008
  271   HG12  ILE  36          1HG1      ILE  36  -7.169   4.196   0.226
  272   HG13  ILE  36          2HG1      ILE  36  -6.499   3.870  -1.354
  273   HG21  ILE  36          1HG2      ILE  36  -6.649   7.340  -1.354
  274   HG22  ILE  36          2HG2      ILE  36  -7.965   7.293  -2.526
  275   HG23  ILE  36          3HG2      ILE  36  -6.513   6.326  -2.790
  276   HD11  ILE  36          3HD1      ILE  36  -4.826   4.641   0.259
  277   HD12  ILE  36          1HD1      ILE  36  -5.719   6.157   0.441
  278   HD13  ILE  36          2HD1      ILE  36  -4.980   5.749  -1.114
  279    H    ALA  37           H        ALA  37  -7.903   7.310   1.800
  280    HA   ALA  37           HA       ALA  37  -6.845   5.188   3.249
  281    HB1  ALA  37           1HB      ALA  37  -6.267   7.570   3.518
  282    HB2  ALA  37           2HB      ALA  37  -6.540   6.714   5.048
  283    HB3  ALA  37           3HB      ALA  37  -7.778   7.797   4.412
  284    HA   PRO  38           HA       PRO  38 -10.970   4.687   5.675
  285    HB2  PRO  38           1HB      PRO  38 -13.000   6.017   4.018
  286    HB3  PRO  38           2HB      PRO  38 -12.768   6.076   5.768
  287    HG2  PRO  38           1HG      PRO  38 -12.225   8.186   4.207
  288    HG3  PRO  38           2HG      PRO  38 -11.249   7.807   5.640
  289    HD2  PRO  38           1HD      PRO  38 -10.676   7.226   2.753
  290    HD3  PRO  38           2HD      PRO  38  -9.596   7.875   4.003
  291    H    MET  39           H        MET  39 -11.092   5.023   2.117
  292    HA   MET  39           HA       MET  39 -12.846   2.831   1.708
  293    HB2  MET  39           1HB      MET  39 -10.727   3.922  -0.133
  294    HB3  MET  39           2HB      MET  39 -11.971   2.780  -0.607
  295    HG2  MET  39           1HG      MET  39 -12.380   5.607   0.337
  296    HG3  MET  39           2HG      MET  39 -12.593   4.995  -1.301
  297    HE1  MET  39           3HE      MET  39 -14.034   2.187  -0.757
  298    HE2  MET  39           1HE      MET  39 -14.534   3.319  -2.014
  299    HE3  MET  39           2HE      MET  39 -15.726   2.669  -0.890
  300    H    ILE  40           H        ILE  40  -9.267   2.906   1.478
  301    HA   ILE  40           HA       ILE  40  -8.812   0.180   1.266
  302    HB   ILE  40           HB       ILE  40  -7.230   2.492   1.912
  303   HG12  ILE  40          1HG1      ILE  40  -5.378   0.790   1.245
  304   HG13  ILE  40          2HG1      ILE  40  -6.728  -0.283   0.896
  305   HG21  ILE  40          1HG2      ILE  40  -7.202   1.615   4.207
  306   HG22  ILE  40          2HG2      ILE  40  -5.610   1.604   3.449
  307   HG23  ILE  40          3HG2      ILE  40  -6.526   0.103   3.599
  308   HD11  ILE  40          3HD1      ILE  40  -6.089   0.784  -1.120
  309   HD12  ILE  40          1HD1      ILE  40  -6.120   2.367  -0.351
  310   HD13  ILE  40          2HD1      ILE  40  -7.627   1.487  -0.619
  311    H    GLU  41           H        GLU  41  -9.594   2.096   4.126
  312    HA   GLU  41           HA       GLU  41  -9.106   0.132   6.063
  313    HB2  GLU  41           1HB      GLU  41  -9.544   2.536   6.521
  314    HB3  GLU  41           2HB      GLU  41 -11.239   2.257   6.138
  315    HG2  GLU  41           1HG      GLU  41 -11.484   0.779   8.000
  316    HG3  GLU  41           2HG      GLU  41  -9.752   0.830   8.326
  317    H    LYS  42           H        LYS  42 -12.096   0.855   4.245
  318    HA   LYS  42           HA       LYS  42 -13.680  -1.125   5.442
  319    HB2  LYS  42           1HB      LYS  42 -14.621   0.572   3.936
  320    HB3  LYS  42           2HB      LYS  42 -13.744  -0.129   2.581
  321    HG2  LYS  42           1HG      LYS  42 -15.058  -2.301   3.328
  322    HG3  LYS  42           2HG      LYS  42 -16.173  -1.100   3.983
  323    HD2  LYS  42           1HD      LYS  42 -16.234  -0.025   1.745
  324    HD3  LYS  42           2HD      LYS  42 -15.225  -1.345   1.139
  325    HE2  LYS  42           1HE      LYS  42 -17.586  -1.733   0.641
  326    HE3  LYS  42           2HE      LYS  42 -16.947  -2.957   1.736
  327    HZ1  LYS  42           3HZ      LYS  42 -18.580  -0.605   2.533
  328    HZ2  LYS  42           1HZ      LYS  42 -17.964  -1.779   3.588
  329    HZ3  LYS  42           2HZ      LYS  42 -19.124  -2.200   2.436
  330    H    PHE  43           H        PHE  43 -11.675  -1.235   2.565
  331    HA   PHE  43           HA       PHE  43 -12.093  -3.918   1.948
  332    HB2  PHE  43           1HB      PHE  43  -9.840  -2.051   1.253
  333    HB3  PHE  43           2HB      PHE  43  -9.993  -3.678   0.605
  334    HD1  PHE  43           2HD      PHE  43 -13.247  -2.696   0.957
  335    HD2  PHE  43           1HD      PHE  43  -9.813  -1.816  -1.395
  336    HE1  PHE  43           2HE      PHE  43 -14.698  -1.848  -0.840
  337    HE2  PHE  43           1HE      PHE  43 -11.259  -0.967  -3.195
  338    HZ   PHE  43           HZ       PHE  43 -13.704  -0.983  -2.920
  339    H    SER  44           H        SER  44 -10.266  -2.469   4.424
  340    HA   SER  44           HA       SER  44  -8.429  -4.684   4.753
  341    HB2  SER  44           1HB      SER  44  -7.310  -3.373   6.339
  342    HB3  SER  44           2HB      SER  44  -7.962  -2.160   5.233
  343    HG   SER  44           HG       SER  44  -9.755  -1.972   6.732
  344    H    GLU  45           H        GLU  45 -11.540  -3.764   5.644
  345    HA   GLU  45           HA       GLU  45 -11.661  -5.590   7.908
  346    HB2  GLU  45           1HB      GLU  45 -13.008  -3.417   7.692
  347    HB3  GLU  45           2HB      GLU  45 -13.979  -4.263   6.498
  348    HG2  GLU  45           1HG      GLU  45 -15.064  -4.314   8.648
  349    HG3  GLU  45           2HG      GLU  45 -14.572  -5.941   8.178
  350    H    GLN  46           H        GLN  46 -11.898  -5.590   4.518
  351    HA   GLN  46           HA       GLN  46 -13.057  -8.288   4.589
  352    HB2  GLN  46           1HB      GLN  46 -13.838  -7.525   2.155
  353    HB3  GLN  46           2HB      GLN  46 -14.823  -7.291   3.593
  354    HG2  GLN  46           1HG      GLN  46 -14.341  -5.027   3.695
  355    HG3  GLN  46           2HG      GLN  46 -12.912  -5.173   2.676
  356   HE21  GLN  46          1HE2      GLN  46 -13.207  -5.423   0.425
  357   HE22  GLN  46          2HE2      GLN  46 -14.691  -4.968  -0.344
  358    H    TYR  47           H        TYR  47 -10.170  -7.443   4.356
  359    HA   TYR  47           HA       TYR  47  -9.688  -8.886   1.842
  360    HB2  TYR  47           1HB      TYR  47  -7.405  -8.075   1.806
  361    HB3  TYR  47           2HB      TYR  47  -8.556  -6.754   1.866
  362    HD1  TYR  47           1HD      TYR  47  -8.667  -7.766   5.089
  363    HD2  TYR  47           2HD      TYR  47  -5.865  -6.026   2.411
  364    HE1  TYR  47           1HE      TYR  47  -7.419  -6.808   6.980
  365    HE2  TYR  47           2HE      TYR  47  -4.687  -5.109   4.215
  366    HH   TYR  47           HH       TYR  47  -5.173  -5.993   7.473
  367    HA   PRO  48           HA       PRO  48  -9.088 -12.363   4.614
  368    HB2  PRO  48           1HB      PRO  48  -8.887 -13.813   2.050
  369    HB3  PRO  48           2HB      PRO  48  -9.972 -14.085   3.414
  370    HG2  PRO  48           1HG      PRO  48 -10.874 -13.032   1.136
  371    HG3  PRO  48           2HG      PRO  48 -11.480 -12.472   2.707
  372    HD2  PRO  48           1HD      PRO  48  -9.461 -11.202   0.895
  373    HD3  PRO  48           2HD      PRO  48 -10.793 -10.451   1.802
  374    H    GLN  49           H        GLN  49  -7.119 -11.945   1.653
  375    HA   GLN  49           HA       GLN  49  -5.043 -13.617   2.854
  376    HB2  GLN  49           1HB      GLN  49  -6.152 -13.864   0.509
  377    HB3  GLN  49           2HB      GLN  49  -4.966 -12.668   0.035
  378    HG2  GLN  49           1HG      GLN  49  -4.211 -15.221   1.404
  379    HG3  GLN  49           2HG      GLN  49  -4.437 -15.135  -0.337
  380   HE21  GLN  49          1HE2      GLN  49  -2.360 -14.434   2.304
  381   HE22  GLN  49          2HE2      GLN  49  -1.033 -13.844   1.376
  382    H    ALA  50           H        ALA  50  -5.755 -10.378   2.427
  383    HA   ALA  50           HA       ALA  50  -2.992  -9.638   1.857
  384    HB1  ALA  50           1HB      ALA  50  -3.898  -7.467   1.185
  385    HB2  ALA  50           2HB      ALA  50  -5.520  -8.042   1.565
  386    HB3  ALA  50           3HB      ALA  50  -4.600  -8.795   0.266
  387    H    ASP  51           H        ASP  51  -2.050  -7.930   2.920
  388    HA   ASP  51           HA       ASP  51  -3.337  -7.057   5.409
  389    HB2  ASP  51           1HB      ASP  51  -0.972  -8.528   5.246
  390    HB3  ASP  51           2HB      ASP  51  -0.423  -6.866   5.461
  391    H    PHE  52           H        PHE  52  -3.740  -4.991   5.393
  392    HA   PHE  52           HA       PHE  52  -2.681  -3.353   3.268
  393    HB2  PHE  52           1HB      PHE  52  -4.955  -3.193   5.140
  394    HB3  PHE  52           2HB      PHE  52  -4.238  -1.650   4.690
  395    HD1  PHE  52           2HD      PHE  52  -3.553  -2.196   1.839
  396    HD2  PHE  52           1HD      PHE  52  -6.967  -3.181   4.140
  397    HE1  PHE  52           2HE      PHE  52  -4.931  -2.190  -0.204
  398    HE2  PHE  52           1HE      PHE  52  -8.354  -3.162   2.145
  399    HZ   PHE  52           HZ       PHE  52  -7.343  -2.672  -0.056
  400    H    TYR  53           H        TYR  53  -0.987  -1.933   3.604
  401    HA   TYR  53           HA       TYR  53  -0.890  -0.730   6.284
  402    HB2  TYR  53           1HB      TYR  53   1.579  -1.323   4.634
  403    HB3  TYR  53           2HB      TYR  53   1.513  -0.717   6.296
  404    HD1  TYR  53           1HD      TYR  53   0.850  -2.212   8.125
  405    HD2  TYR  53           2HD      TYR  53   1.374  -3.674   4.179
  406    HE1  TYR  53           1HE      TYR  53   0.978  -4.497   9.007
  407    HE2  TYR  53           2HE      TYR  53   1.502  -5.975   5.051
  408    HH   TYR  53           HH       TYR  53   0.532  -6.835   8.096
  409    H    LYS  54           H        LYS  54  -0.843   1.442   6.271
  410    HA   LYS  54           HA       LYS  54  -0.299   2.768   3.677
  411    HB2  LYS  54           1HB      LYS  54  -2.062   3.871   5.880
  412    HB3  LYS  54           2HB      LYS  54  -1.789   4.587   4.305
  413    HG2  LYS  54           1HG      LYS  54  -3.343   2.084   4.915
  414    HG3  LYS  54           2HG      LYS  54  -3.987   3.628   4.390
  415    HD2  LYS  54           1HD      LYS  54  -3.884   2.882   2.282
  416    HD3  LYS  54           2HD      LYS  54  -2.116   2.886   2.444
  417    HE2  LYS  54           1HE      LYS  54  -2.290   0.593   3.449
  418    HE3  LYS  54           2HE      LYS  54  -3.995   0.602   3.011
  419    HZ1  LYS  54           3HZ      LYS  54  -2.684  -0.528   1.349
  420    HZ2  LYS  54           1HZ      LYS  54  -1.711   0.838   1.134
  421    HZ3  LYS  54           2HZ      LYS  54  -3.344   0.885   0.694
  422    H    LEU  55           H        LEU  55   1.536   3.982   3.730
  423    HA   LEU  55           HA       LEU  55   2.694   4.389   6.408
  424    HB2  LEU  55           1HB      LEU  55   4.313   4.759   3.956
  425    HB3  LEU  55           2HB      LEU  55   4.792   4.214   5.553
  426    HG   LEU  55           HG       LEU  55   3.429   2.646   3.402
  427   HD11  LEU  55          1HD1      LEU  55   5.324   1.161   3.772
  428   HD12  LEU  55          2HD1      LEU  55   5.893   2.248   5.043
  429   HD13  LEU  55          3HD1      LEU  55   5.840   2.800   3.370
  430   HD21  LEU  55          3HD2      LEU  55   3.717   1.859   6.291
  431   HD22  LEU  55          1HD2      LEU  55   3.292   0.758   4.983
  432   HD23  LEU  55          2HD2      LEU  55   2.213   2.085   5.407
  433    H    ASP  56           H        ASP  56   4.256   6.391   6.435
  434    HA   ASP  56           HA       ASP  56   2.902   8.603   5.018
  435    HB2  ASP  56           1HB      ASP  56   2.992   8.508   7.675
  436    HB3  ASP  56           2HB      ASP  56   4.606   9.170   7.392
  437    H    VAL  57           H        VAL  57   4.049   9.535   3.528
  438    HA   VAL  57           HA       VAL  57   6.649   8.634   2.890
  439    HB   VAL  57           HB       VAL  57   4.561   9.877   1.597
  440   HG11  VAL  57          1HG1      VAL  57   5.364  12.092   2.314
  441   HG12  VAL  57          2HG1      VAL  57   5.381  11.890   0.559
  442   HG13  VAL  57          3HG1      VAL  57   6.885  11.785   1.473
  443   HG21  VAL  57          3HG2      VAL  57   7.356   9.347   0.646
  444   HG22  VAL  57          1HG2      VAL  57   5.978   9.670  -0.407
  445   HG23  VAL  57          2HG2      VAL  57   5.981   8.238   0.626
  446    H    ASP  58           H        ASP  58   5.593  10.955   5.110
  447    HA   ASP  58           HA       ASP  58   7.793  12.793   4.796
  448    HB2  ASP  58           1HB      ASP  58   5.635  13.527   5.718
  449    HB3  ASP  58           2HB      ASP  58   5.851  12.441   7.088
  450    H    GLU  59           H        GLU  59   6.976  10.046   6.809
  451    HA   GLU  59           HA       GLU  59   9.567  10.099   8.124
  452    HB2  GLU  59           1HB      GLU  59   7.326   8.068   8.243
  453    HB3  GLU  59           2HB      GLU  59   8.787   8.015   9.217
  454    HG2  GLU  59           1HG      GLU  59   8.140  10.193  10.206
  455    HG3  GLU  59           2HG      GLU  59   6.623  10.102   9.314
  456    H    LEU  60           H        LEU  60   7.971   8.636   5.439
  457    HA   LEU  60           HA       LEU  60  10.285   6.890   4.981
  458    HB2  LEU  60           1HB      LEU  60   7.354   6.431   4.455
  459    HB3  LEU  60           2HB      LEU  60   8.589   5.550   3.572
  460    HG   LEU  60           HG       LEU  60   7.932   5.436   6.475
  461   HD11  LEU  60          1HD1      LEU  60   8.349   3.298   4.439
  462   HD12  LEU  60          2HD1      LEU  60   6.798   3.918   4.992
  463   HD13  LEU  60          3HD1      LEU  60   7.858   3.069   6.115
  464   HD21  LEU  60          3HD2      LEU  60   9.949   4.046   6.819
  465   HD22  LEU  60          1HD2      LEU  60  10.306   5.742   6.504
  466   HD23  LEU  60          2HD2      LEU  60  10.511   4.546   5.224
  467    H    GLY  61           H        GLY  61  10.724   9.294   4.066
  468    HA2  GLY  61           1HA      GLY  61   9.768   9.672   1.377
  469    HA3  GLY  61           2HA      GLY  61  11.011  10.614   2.184
  470    H    ASP  62           H        ASP  62  12.704   8.439   2.882
  471    HA   ASP  62           HA       ASP  62  14.206   8.300   0.479
  472    HB2  ASP  62           1HB      ASP  62  15.276   8.334   2.695
  473    HB3  ASP  62           2HB      ASP  62  14.581   6.758   3.052
  474    H    VAL  63           H        VAL  63  12.383   5.865   2.321
  475    HA   VAL  63           HA       VAL  63  12.867   3.722   0.571
  476    HB   VAL  63           HB       VAL  63  11.996   3.271   2.780
  477   HG11  VAL  63          1HG1      VAL  63   9.415   4.555   1.962
  478   HG12  VAL  63          2HG1      VAL  63  10.639   5.349   2.947
  479   HG13  VAL  63          3HG1      VAL  63   9.840   3.895   3.545
  480   HG21  VAL  63          3HG2      VAL  63  10.023   2.546   0.633
  481   HG22  VAL  63          1HG2      VAL  63  10.108   1.787   2.223
  482   HG23  VAL  63          2HG2      VAL  63  11.458   1.629   1.097
  483    H    ALA  64           H        ALA  64  10.342   6.179   0.636
  484    HA   ALA  64           HA       ALA  64   8.803   5.289  -1.499
  485    HB1  ALA  64           1HB      ALA  64   9.419   8.132  -0.709
  486    HB2  ALA  64           2HB      ALA  64   8.126   7.126  -0.053
  487    HB3  ALA  64           3HB      ALA  64   8.089   7.616  -1.745
  488    H    GLN  65           H        GLN  65  11.831   7.088  -1.469
  489    HA   GLN  65           HA       GLN  65  11.740   7.656  -4.282
  490    HB2  GLN  65           1HB      GLN  65  13.945   7.944  -2.239
  491    HB3  GLN  65           2HB      GLN  65  14.107   8.427  -3.925
  492    HG2  GLN  65           1HG      GLN  65  12.213   9.975  -3.631
  493    HG3  GLN  65           2HG      GLN  65  12.140   9.528  -1.929
  494   HE21  GLN  65          1HE2      GLN  65  15.072   9.352  -1.732
  495   HE22  GLN  65          2HE2      GLN  65  15.628  10.988  -1.687
  496    H    LYS  66           H        LYS  66  13.162   5.192  -2.231
  497    HA   LYS  66           HA       LYS  66  14.782   3.900  -4.066
  498    HB2  LYS  66           1HB      LYS  66  13.048   2.727  -1.894
  499    HB3  LYS  66           2HB      LYS  66  14.353   1.882  -2.704
  500    HG2  LYS  66           1HG      LYS  66  15.812   3.848  -1.843
  501    HG3  LYS  66           2HG      LYS  66  14.471   4.092  -0.720
  502    HD2  LYS  66           1HD      LYS  66  16.096   1.570  -1.054
  503    HD3  LYS  66           2HD      LYS  66  16.172   2.693   0.302
  504    HE2  LYS  66           1HE      LYS  66  13.940   2.133   0.971
  505    HE3  LYS  66           2HE      LYS  66  13.689   1.177  -0.488
  506    HZ1  LYS  66           3HZ      LYS  66  15.588   0.560   1.709
  507    HZ2  LYS  66           1HZ      LYS  66  15.432  -0.337   0.285
  508    HZ3  LYS  66           2HZ      LYS  66  14.144  -0.256   1.374
  509    H    ASN  67           H        ASN  67  11.337   3.753  -3.507
  510    HA   ASN  67           HA       ASN  67  10.965   1.750  -5.586
  511    HB2  ASN  67           1HB      ASN  67   9.049   3.051  -3.641
  512    HB3  ASN  67           2HB      ASN  67   8.554   1.884  -4.864
  513   HD21  ASN  67          1HD2      ASN  67  10.420   2.358  -1.937
  514   HD22  ASN  67          2HD2      ASN  67  10.547   0.683  -1.521
  515    H    GLU  68           H        GLU  68  11.599   4.825  -5.713
  516    HA   GLU  68           HA       GLU  68  11.301   6.523  -7.170
  517    HB2  GLU  68           1HB      GLU  68  10.255   4.280  -8.903
  518    HB3  GLU  68           2HB      GLU  68  10.695   5.881  -9.485
  519    HG2  GLU  68           1HG      GLU  68  12.986   5.542  -8.858
  520    HG3  GLU  68           2HG      GLU  68  12.590   4.009  -8.085
  521    H    VAL  69           H        VAL  69   9.378   6.454  -5.297
  522    HA   VAL  69           HA       VAL  69   6.761   6.598  -6.516
  523    HB   VAL  69           HB       VAL  69   7.712   7.000  -3.683
  524   HG11  VAL  69          1HG1      VAL  69   5.779   8.442  -4.079
  525   HG12  VAL  69          2HG1      VAL  69   5.361   7.094  -3.021
  526   HG13  VAL  69          3HG1      VAL  69   4.878   7.068  -4.718
  527   HG21  VAL  69          3HG2      VAL  69   7.756   4.704  -4.517
  528   HG22  VAL  69          1HG2      VAL  69   6.056   4.834  -4.967
  529   HG23  VAL  69          2HG2      VAL  69   6.526   4.912  -3.269
  530    H    SER  70           H        SER  70   5.931   8.352  -7.365
  531    HA   SER  70           HA       SER  70   6.647  10.971  -6.262
  532    HB2  SER  70           1HB      SER  70   6.499  11.828  -8.676
  533    HB3  SER  70           2HB      SER  70   7.946  10.921  -8.238
  534    HG   SER  70           HG       SER  70   7.382   9.363  -9.544
  535    H    ALA  71           H        ALA  71   4.361   8.975  -8.042
  536    HA   ALA  71           HA       ALA  71   2.246  10.949  -7.788
  537    HB1  ALA  71           1HB      ALA  71   0.854   9.283  -8.931
  538    HB2  ALA  71           2HB      ALA  71   2.182   8.127  -8.857
  539    HB3  ALA  71           3HB      ALA  71   2.346   9.598  -9.815
  540    H    MET  72           H        MET  72   1.015  11.101  -6.020
  541    HA   MET  72           HA       MET  72   1.110   8.869  -4.120
  542    HB2  MET  72           1HB      MET  72   0.734  10.443  -2.359
  543    HB3  MET  72           2HB      MET  72   2.006  11.095  -3.382
  544    HG2  MET  72           1HG      MET  72  -0.888  11.921  -3.443
  545    HG3  MET  72           2HG      MET  72   0.418  12.805  -2.661
  546    HE1  MET  72           3HE      MET  72  -1.728  13.848  -4.894
  547    HE2  MET  72           1HE      MET  72  -0.695  14.902  -5.860
  548    HE3  MET  72           2HE      MET  72  -0.577  14.925  -4.101
  549    HA   PRO  73           HA       PRO  73   0.283   7.951  -2.674
  550    HB2  PRO  73           1HB      PRO  73  -1.222   5.842  -2.026
  551    HB3  PRO  73           2HB      PRO  73  -1.505   7.424  -1.289
  552    HG2  PRO  73           1HG      PRO  73  -2.995   6.065  -3.493
  553    HG3  PRO  73           2HG      PRO  73  -3.621   7.032  -2.147
  554    HD2  PRO  73           1HD      PRO  73  -3.230   7.965  -4.728
  555    HD3  PRO  73           2HD      PRO  73  -3.344   8.984  -3.282
  556    H    THR  74           H        THR  74   1.254   5.751  -2.833
  557    HA   THR  74           HA       THR  74   0.921   4.591  -5.504
  558    HB   THR  74           HB       THR  74   3.422   4.553  -3.801
  559    HG1  THR  74           1HG      THR  74   2.447   6.464  -5.396
  560   HG21  THR  74          3HG2      THR  74   4.505   3.640  -5.792
  561   HG22  THR  74          1HG2      THR  74   2.962   3.652  -6.647
  562   HG23  THR  74          2HG2      THR  74   3.192   2.590  -5.259
  563    H    LEU  75           H        LEU  75  -0.027   2.662  -5.448
  564    HA   LEU  75           HA       LEU  75  -0.031   1.188  -2.916
  565    HB2  LEU  75           1HB      LEU  75  -1.952   1.487  -5.159
  566    HB3  LEU  75           2HB      LEU  75  -1.904  -0.042  -4.308
  567    HG   LEU  75           HG       LEU  75  -3.658   1.470  -3.450
  568   HD11  LEU  75          1HD1      LEU  75  -3.078   1.284  -1.071
  569   HD12  LEU  75          2HD1      LEU  75  -1.422   0.884  -1.524
  570   HD13  LEU  75          3HD1      LEU  75  -2.742  -0.195  -1.969
  571   HD21  LEU  75          3HD2      LEU  75  -3.016   3.446  -2.146
  572   HD22  LEU  75          1HD2      LEU  75  -2.586   3.606  -3.848
  573   HD23  LEU  75          2HD2      LEU  75  -1.343   3.227  -2.658
  574    H    LEU  76           H        LEU  76   1.493  -0.302  -2.889
  575    HA   LEU  76           HA       LEU  76   1.704  -2.054  -5.245
  576    HB2  LEU  76           1HB      LEU  76   4.007  -1.498  -3.379
  577    HB3  LEU  76           2HB      LEU  76   4.057  -2.222  -4.972
  578    HG   LEU  76           HG       LEU  76   3.405   0.679  -4.458
  579   HD11  LEU  76          1HD1      LEU  76   6.000  -0.598  -5.310
  580   HD12  LEU  76          2HD1      LEU  76   5.687   0.208  -3.773
  581   HD13  LEU  76          3HD1      LEU  76   5.672   1.134  -5.273
  582   HD21  LEU  76          3HD2      LEU  76   4.068  -0.829  -6.981
  583   HD22  LEU  76          1HD2      LEU  76   3.832   0.914  -6.858
  584   HD23  LEU  76          2HD2      LEU  76   2.488  -0.180  -6.536
  585    H    LEU  77           H        LEU  77   0.869  -3.969  -4.691
  586    HA   LEU  77           HA       LEU  77   1.352  -4.879  -1.959
  587    HB2  LEU  77           1HB      LEU  77   0.013  -6.882  -3.364
  588    HB3  LEU  77           2HB      LEU  77  -0.630  -5.819  -2.137
  589    HG   LEU  77           HG       LEU  77  -0.613  -5.126  -5.074
  590   HD11  LEU  77          1HD1      LEU  77  -1.908  -7.107  -4.837
  591   HD12  LEU  77          2HD1      LEU  77  -3.058  -5.767  -4.857
  592   HD13  LEU  77          3HD1      LEU  77  -2.626  -6.535  -3.329
  593   HD21  LEU  77          3HD2      LEU  77  -2.131  -3.415  -4.530
  594   HD22  LEU  77          1HD2      LEU  77  -0.871  -3.296  -3.302
  595   HD23  LEU  77          2HD2      LEU  77  -2.418  -4.056  -2.915
  596    H    PHE  78           H        PHE  78   2.846  -6.243  -1.451
  597    HA   PHE  78           HA       PHE  78   4.318  -7.473  -3.652
  598    HB2  PHE  78           1HB      PHE  78   5.147  -6.384  -1.000
  599    HB3  PHE  78           2HB      PHE  78   6.106  -7.666  -1.715
  600    HD1  PHE  78           1HD      PHE  78   4.779  -4.260  -2.334
  601    HD2  PHE  78           2HD      PHE  78   7.697  -7.184  -3.353
  602    HE1  PHE  78           1HE      PHE  78   5.987  -2.584  -3.672
  603    HE2  PHE  78           2HE      PHE  78   8.910  -5.515  -4.691
  604    HZ   PHE  78           HZ       PHE  78   8.055  -3.211  -4.854
  605    H    LYS  79           H        LYS  79   5.156  -9.574  -3.408
  606    HA   LYS  79           HA       LYS  79   4.055 -11.177  -1.221
  607    HB2  LYS  79           1HB      LYS  79   2.516 -11.365  -3.070
  608    HB3  LYS  79           2HB      LYS  79   3.831 -11.725  -4.178
  609    HG2  LYS  79           1HG      LYS  79   4.211 -13.841  -2.974
  610    HG3  LYS  79           2HG      LYS  79   2.858 -13.463  -1.909
  611    HD2  LYS  79           1HD      LYS  79   2.590 -13.651  -4.903
  612    HD3  LYS  79           2HD      LYS  79   2.356 -15.030  -3.832
  613    HE2  LYS  79           1HE      LYS  79   0.838 -12.464  -3.465
  614    HE3  LYS  79           2HE      LYS  79   0.283 -13.721  -4.566
  615    HZ1  LYS  79           3HZ      LYS  79   0.195 -15.267  -2.729
  616    HZ2  LYS  79           1HZ      LYS  79  -0.740 -13.903  -2.373
  617    HZ3  LYS  79           2HZ      LYS  79   0.783 -14.096  -1.662
  618    H    ASN  80           H        ASN  80   5.775 -12.009  -0.265
  619    HA   ASN  80           HA       ASN  80   7.859 -12.840   0.149
  620    HB2  ASN  80           1HB      ASN  80   7.686 -14.018  -2.629
  621    HB3  ASN  80           2HB      ASN  80   8.716 -14.568  -1.317
  622   HD21  ASN  80          1HD2      ASN  80   5.640 -14.678  -2.747
  623   HD22  ASN  80          2HD2      ASN  80   4.912 -15.784  -1.640
  624    H    GLY  81           H        GLY  81   7.723 -10.208  -1.002
  625    HA2  GLY  81           1HA      GLY  81   9.139  -8.595  -1.820
  626    HA3  GLY  81           2HA      GLY  81  10.436  -9.766  -1.632
  627    H    LYS  82           H        LYS  82   7.921 -10.911  -3.582
  628    HA   LYS  82           HA       LYS  82   9.558 -10.422  -5.971
  629    HB2  LYS  82           1HB      LYS  82   9.470 -12.667  -6.078
  630    HB3  LYS  82           2HB      LYS  82   8.224 -12.748  -4.850
  631    HG2  LYS  82           1HG      LYS  82   6.504 -12.517  -6.497
  632    HG3  LYS  82           2HG      LYS  82   7.698 -12.221  -7.766
  633    HD2  LYS  82           1HD      LYS  82   8.615 -14.469  -7.417
  634    HD3  LYS  82           2HD      LYS  82   7.415 -14.763  -6.161
  635    HE2  LYS  82           1HE      LYS  82   6.715 -14.095  -9.011
  636    HE3  LYS  82           2HE      LYS  82   6.886 -15.742  -8.413
  637    HZ1  LYS  82           3HZ      LYS  82   4.576 -14.956  -8.437
  638    HZ2  LYS  82           1HZ      LYS  82   4.980 -13.748  -7.328
  639    HZ3  LYS  82           2HZ      LYS  82   5.093 -15.374  -6.883
  640    H    GLU  83           H        GLU  83   7.034  -9.255  -4.415
  641    HA   GLU  83           HA       GLU  83   5.419  -7.773  -4.903
  642    HB2  GLU  83           1HB      GLU  83   7.071  -7.021  -6.679
  643    HB3  GLU  83           2HB      GLU  83   6.174  -8.015  -7.812
  644    HG2  GLU  83           1HG      GLU  83   4.157  -6.661  -7.327
  645    HG3  GLU  83           2HG      GLU  83   5.147  -5.619  -6.305
  646    H    VAL  84           H        VAL  84   3.310  -7.588  -6.242
  647    HA   VAL  84           HA       VAL  84   2.536 -10.047  -7.554
  648    HB   VAL  84           HB       VAL  84   1.870 -10.003  -5.031
  649   HG11  VAL  84          1HG1      VAL  84  -0.530  -9.140  -4.858
  650   HG12  VAL  84          2HG1      VAL  84  -0.131  -8.161  -6.272
  651   HG13  VAL  84          3HG1      VAL  84   0.788  -7.966  -4.779
  652   HG21  VAL  84          3HG2      VAL  84  -0.108 -11.334  -5.525
  653   HG22  VAL  84          1HG2      VAL  84   1.245 -11.745  -6.581
  654   HG23  VAL  84          2HG2      VAL  84  -0.077 -10.748  -7.192
  655    H    ALA  85           H        ALA  85   2.025  -6.683  -6.786
  656    HA   ALA  85           HA       ALA  85   0.957  -6.173  -9.415
  657    HB1  ALA  85           1HB      ALA  85  -1.124  -5.120  -8.658
  658    HB2  ALA  85           2HB      ALA  85  -0.809  -5.702  -7.024
  659    HB3  ALA  85           3HB      ALA  85  -1.100  -6.853  -8.328
  660    H    LYS  86           H        LYS  86   0.536  -3.888  -9.783
  661    HA   LYS  86           HA       LYS  86   1.609  -2.074  -7.799
  662    HB2  LYS  86           1HB      LYS  86   3.604  -2.551  -9.002
  663    HB3  LYS  86           2HB      LYS  86   2.775  -2.478 -10.548
  664    HG2  LYS  86           1HG      LYS  86   2.543  -0.096 -10.378
  665    HG3  LYS  86           2HG      LYS  86   3.195  -0.110  -8.738
  666    HD2  LYS  86           1HD      LYS  86   5.327  -0.927  -9.580
  667    HD3  LYS  86           2HD      LYS  86   4.678  -0.967 -11.218
  668    HE2  LYS  86           1HE      LYS  86   4.369   1.450 -11.163
  669    HE3  LYS  86           2HE      LYS  86   4.986   1.507  -9.511
  670    HZ1  LYS  86           3HZ      LYS  86   7.107   0.665 -10.323
  671    HZ2  LYS  86           1HZ      LYS  86   6.691   2.100 -11.116
  672    HZ3  LYS  86           2HZ      LYS  86   6.507   0.615 -11.904
  673    H    VAL  87           H        VAL  87   0.135  -0.541  -7.579
  674    HA   VAL  87           HA       VAL  87  -1.056   0.598 -10.028
  675    HB   VAL  87           HB       VAL  87  -2.365   0.688  -7.306
  676   HG11  VAL  87          1HG1      VAL  87  -3.363   1.279 -10.087
  677   HG12  VAL  87          2HG1      VAL  87  -3.018   2.454  -8.817
  678   HG13  VAL  87          3HG1      VAL  87  -4.350   1.312  -8.626
  679   HG21  VAL  87          3HG2      VAL  87  -3.879  -1.062  -8.002
  680   HG22  VAL  87          1HG2      VAL  87  -2.219  -1.658  -8.079
  681   HG23  VAL  87          2HG2      VAL  87  -3.058  -1.197  -9.560
  682    H    VAL  88           H        VAL  88  -0.846   2.784 -10.265
  683    HA   VAL  88           HA       VAL  88   0.797   4.058  -8.180
  684    HB   VAL  88           HB       VAL  88   1.112   4.838 -11.041
  685   HG11  VAL  88          1HG1      VAL  88   3.386   5.306 -10.320
  686   HG12  VAL  88          2HG1      VAL  88   3.040   4.609  -8.736
  687   HG13  VAL  88          3HG1      VAL  88   2.220   6.086  -9.247
  688   HG21  VAL  88          3HG2      VAL  88   2.558   2.474  -9.850
  689   HG22  VAL  88          1HG2      VAL  88   2.691   3.098 -11.494
  690   HG23  VAL  88          2HG2      VAL  88   1.190   2.330 -10.957
  691    H    GLY  89           H        GLY  89  -1.302   4.870  -7.419
  692    HA2  GLY  89           1HA      GLY  89  -1.628   7.526  -7.781
  693    HA3  GLY  89           2HA      GLY  89  -2.651   6.839  -9.032
  694    H    ALA  90           H        ALA  90  -4.270   8.065  -7.731
  695    HA   ALA  90           HA       ALA  90  -5.079   6.994  -5.203
  696    HB1  ALA  90           1HB      ALA  90  -6.735   8.686  -7.060
  697    HB2  ALA  90           2HB      ALA  90  -5.485   9.350  -6.011
  698    HB3  ALA  90           3HB      ALA  90  -6.883   8.533  -5.309
  699    H    ASN  91           H        ASN  91  -5.574   4.854  -5.308
  700    HA   ASN  91           HA       ASN  91  -7.577   4.059  -7.307
  701    HB2  ASN  91           1HB      ASN  91  -6.506   1.849  -7.377
  702    HB3  ASN  91           2HB      ASN  91  -5.398   3.124  -7.870
  703   HD21  ASN  91          1HD2      ASN  91  -4.947   0.411  -6.808
  704   HD22  ASN  91          2HD2      ASN  91  -3.924   0.620  -5.434
  705    HA   PRO  92           HA       PRO  92  -9.246   2.835  -3.100
  706    HB2  PRO  92           1HB      PRO  92 -11.689   4.167  -4.051
  707    HB3  PRO  92           2HB      PRO  92 -10.835   4.367  -2.520
  708    HG2  PRO  92           1HG      PRO  92 -10.860   6.278  -4.430
  709    HG3  PRO  92           2HG      PRO  92  -9.488   6.035  -3.334
  710    HD2  PRO  92           1HD      PRO  92  -9.806   5.204  -6.192
  711    HD3  PRO  92           2HD      PRO  92  -8.368   5.819  -5.349
  712    H    ALA  93           H        ALA  93 -10.599   3.025  -6.365
  713    HA   ALA  93           HA       ALA  93 -12.171   0.614  -5.950
  714    HB1  ALA  93           1HB      ALA  93 -13.111   2.472  -7.252
  715    HB2  ALA  93           2HB      ALA  93 -13.012   0.983  -8.189
  716    HB3  ALA  93           3HB      ALA  93 -11.831   2.267  -8.447
  717    H    ALA  94           H        ALA  94  -9.359   1.677  -7.817
  718    HA   ALA  94           HA       ALA  94  -9.048  -0.846  -9.138
  719    HB1  ALA  94           1HB      ALA  94  -8.329   1.122 -10.285
  720    HB2  ALA  94           2HB      ALA  94  -6.920   0.105  -9.969
  721    HB3  ALA  94           3HB      ALA  94  -7.217   1.535  -8.984
  722    H    ILE  95           H        ILE  95  -7.978   0.412  -6.066
  723    HA   ILE  95           HA       ILE  95  -5.860  -1.370  -5.635
  724    HB   ILE  95           HB       ILE  95  -6.670   0.383  -3.947
  725   HG12  ILE  95          1HG1      ILE  95  -5.762  -0.855  -2.069
  726   HG13  ILE  95          2HG1      ILE  95  -6.167  -2.395  -2.821
  727   HG21  ILE  95          1HG2      ILE  95  -8.252  -0.335  -2.257
  728   HG22  ILE  95          2HG2      ILE  95  -8.507  -1.858  -3.122
  729   HG23  ILE  95          3HG2      ILE  95  -9.010  -0.326  -3.852
  730   HD11  ILE  95          3HD1      ILE  95  -4.491  -2.065  -4.501
  731   HD12  ILE  95          1HD1      ILE  95  -3.771  -1.838  -2.910
  732   HD13  ILE  95          2HD1      ILE  95  -4.159  -0.437  -3.910
  733    H    LYS  96           H        LYS  96  -9.318  -1.742  -5.556
  734    HA   LYS  96           HA       LYS  96  -9.463  -4.285  -4.449
  735    HB2  LYS  96           1HB      LYS  96 -11.356  -2.649  -4.876
  736    HB3  LYS  96           2HB      LYS  96 -11.333  -3.200  -6.548
  737    HG2  LYS  96           1HG      LYS  96 -13.032  -4.398  -5.399
  738    HG3  LYS  96           2HG      LYS  96 -11.690  -5.495  -5.726
  739    HD2  LYS  96           1HD      LYS  96 -10.859  -5.157  -3.434
  740    HD3  LYS  96           2HD      LYS  96 -12.248  -4.109  -3.110
  741    HE2  LYS  96           1HE      LYS  96 -12.342  -7.040  -3.811
  742    HE3  LYS  96           2HE      LYS  96 -12.672  -6.327  -2.236
  743    HZ1  LYS  96           3HZ      LYS  96 -14.722  -6.822  -3.332
  744    HZ2  LYS  96           1HZ      LYS  96 -14.261  -5.960  -4.713
  745    HZ3  LYS  96           2HZ      LYS  96 -14.550  -5.142  -3.265
  746    H    GLN  97           H        GLN  97  -8.854  -3.184  -7.719
  747    HA   GLN  97           HA       GLN  97  -8.931  -5.600  -9.093
  748    HB2  GLN  97           1HB      GLN  97  -8.647  -3.472 -10.242
  749    HB3  GLN  97           2HB      GLN  97  -7.103  -3.209  -9.455
  750    HG2  GLN  97           1HG      GLN  97  -7.389  -5.651 -11.116
  751    HG3  GLN  97           2HG      GLN  97  -7.317  -4.102 -11.948
  752   HE21  GLN  97          1HE2      GLN  97  -5.556  -6.469 -10.146
  753   HE22  GLN  97          2HE2      GLN  97  -3.989  -5.744 -10.318
  754    H    ALA  98           H        ALA  98  -6.147  -4.051  -7.494
  755    HA   ALA  98           HA       ALA  98  -4.503  -6.371  -7.829
  756    HB1  ALA  98           1HB      ALA  98  -4.036  -3.998  -6.014
  757    HB2  ALA  98           2HB      ALA  98  -3.606  -4.048  -7.721
  758    HB3  ALA  98           3HB      ALA  98  -2.811  -5.138  -6.583
  759    H    ILE  99           H        ILE  99  -6.527  -5.151  -5.367
  760    HA   ILE  99           HA       ILE  99  -5.410  -6.607  -3.204
  761    HB   ILE  99           HB       ILE  99  -7.119  -4.441  -3.447
  762   HG12  ILE  99          1HG1      ILE  99  -5.519  -4.663  -1.690
  763   HG13  ILE  99          2HG1      ILE  99  -7.109  -4.450  -0.962
  764   HG21  ILE  99          1HG2      ILE  99  -9.028  -6.065  -3.607
  765   HG22  ILE  99          2HG2      ILE  99  -9.139  -4.793  -2.388
  766   HG23  ILE  99          3HG2      ILE  99  -8.706  -6.441  -1.912
  767   HD11  ILE  99          3HD1      ILE  99  -5.459  -6.929  -1.130
  768   HD12  ILE  99          1HD1      ILE  99  -7.207  -7.004  -0.887
  769   HD13  ILE  99          2HD1      ILE  99  -6.175  -6.160   0.300
  770    H    ALA 100           H        ALA 100  -8.244  -7.086  -5.234
  771    HA   ALA 100           HA       ALA 100  -8.999  -9.393  -3.664
  772    HB1  ALA 100           1HB      ALA 100 -10.391  -8.227  -6.074
  773    HB2  ALA 100           2HB      ALA 100 -10.722  -7.796  -4.399
  774    HB3  ALA 100           3HB      ALA 100 -11.038  -9.436  -4.964
  775    H    ALA 101           H        ALA 101  -7.876  -8.619  -6.926
  776    HA   ALA 101           HA       ALA 101  -8.205 -11.223  -7.991
  777    HB1  ALA 101           1HB      ALA 101  -6.887 -10.469  -9.850
  778    HB2  ALA 101           2HB      ALA 101  -6.272  -9.103  -8.919
  779    HB3  ALA 101           3HB      ALA 101  -7.980  -9.173  -9.366
  780    H    ASN 102           H        ASN 102  -5.524  -9.581  -6.390
  781    HA   ASN 102           HA       ASN 102  -3.796 -11.862  -7.019
  782    HB2  ASN 102           1HB      ASN 102  -3.155  -9.224  -5.707
  783    HB3  ASN 102           2HB      ASN 102  -1.978 -10.456  -6.166
  784   HD21  ASN 102          1HD2      ASN 102  -2.588  -7.639  -7.046
  785   HD22  ASN 102          2HD2      ASN 102  -2.666  -7.743  -8.776
  786    H    ALA 103           H        ALA 103  -4.544  -9.967  -4.090
  787    HA   ALA 103           HA       ALA 103  -3.603 -11.946  -2.302
  788    HB1  ALA 103           1HB      ALA 103  -5.728  -9.952  -1.595
  789    HB2  ALA 103           2HB      ALA 103  -4.060  -9.462  -1.848
  790    HB3  ALA 103           3HB      ALA 103  -4.453 -10.622  -0.576
  Start of MODEL    7
    1    H1   MET   1           1H       MET   1  -9.039  -0.508  10.464
    2    H2   MET   1           2H       MET   1  -9.373   0.197  11.966
    3    H3   MET   1           3H       MET   1  -8.288  -1.094  11.862
    4    HA   MET   1           HA       MET   1  -7.879   1.556  10.620
    5    HB2  MET   1           1HB      MET   1  -7.777   1.682  13.073
    6    HB3  MET   1           2HB      MET   1  -6.633   0.349  13.102
    7    HG2  MET   1           1HG      MET   1  -5.053   1.752  11.795
    8    HG3  MET   1           2HG      MET   1  -6.187   3.091  11.949
    9    HE1  MET   1           3HE      MET   1  -6.854   4.202  14.262
   10    HE2  MET   1           1HE      MET   1  -6.197   3.704  15.819
   11    HE3  MET   1           2HE      MET   1  -7.284   2.631  14.938
   12    H    VAL   2           H        VAL   2  -6.046   1.740   9.398
   13    HA   VAL   2           HA       VAL   2  -4.652  -0.777   8.788
   14    HB   VAL   2           HB       VAL   2  -4.709   1.756   7.148
   15   HG11  VAL   2          1HG1      VAL   2  -3.980   0.099   5.374
   16   HG12  VAL   2          2HG1      VAL   2  -3.630  -1.001   6.705
   17   HG13  VAL   2          3HG1      VAL   2  -2.787   0.544   6.591
   18   HG21  VAL   2          3HG2      VAL   2  -6.946   0.726   7.363
   19   HG22  VAL   2          1HG2      VAL   2  -6.282  -0.781   6.733
   20   HG23  VAL   2          2HG2      VAL   2  -6.315   0.664   5.718
   21    H    THR   3           H        THR   3  -2.576  -1.030   9.209
   22    HA   THR   3           HA       THR   3  -1.372   0.762  11.064
   23    HB   THR   3           HB       THR   3  -0.870  -1.922  10.007
   24    HG1  THR   3           1HG      THR   3  -1.639  -1.532  12.101
   25   HG21  THR   3          3HG2      THR   3   1.492  -2.026  10.547
   26   HG22  THR   3          1HG2      THR   3   1.506  -0.302  10.925
   27   HG23  THR   3          2HG2      THR   3   1.216  -0.838   9.264
   28    H    GLN   4           H        GLN   4   0.368   1.952  10.944
   29    HA   GLN   4           HA       GLN   4   1.391   2.715   8.308
   30    HB2  GLN   4           1HB      GLN   4   2.343   4.644   9.648
   31    HB3  GLN   4           2HB      GLN   4   0.584   4.582   9.569
   32    HG2  GLN   4           1HG      GLN   4   0.396   3.786  11.766
   33    HG3  GLN   4           2HG      GLN   4   2.107   3.362  11.837
   34   HE21  GLN   4          1HE2      GLN   4   3.638   4.935  12.151
   35   HE22  GLN   4          2HE2      GLN   4   3.254   6.512  12.740
   36    H    PHE   5           H        PHE   5   3.549   2.428   7.851
   37    HA   PHE   5           HA       PHE   5   5.191   1.116   9.874
   38    HB2  PHE   5           1HB      PHE   5   5.655   1.561   6.924
   39    HB3  PHE   5           2HB      PHE   5   6.899   0.959   8.003
   40    HD1  PHE   5           1HD      PHE   5   5.064  -0.809   9.700
   41    HD2  PHE   5           2HD      PHE   5   5.498  -0.299   5.498
   42    HE1  PHE   5           1HE      PHE   5   4.299  -3.117   9.342
   43    HE2  PHE   5           2HE      PHE   5   4.735  -2.605   5.128
   44    HZ   PHE   5           HZ       PHE   5   4.131  -4.017   7.058
   45    H    LYS   6           H        LYS   6   7.368   1.918  10.217
   46    HA   LYS   6           HA       LYS   6   7.431   4.853  10.089
   47    HB2  LYS   6           1HB      LYS   6   8.646   4.750  12.277
   48    HB3  LYS   6           2HB      LYS   6   6.967   4.217  12.351
   49    HG2  LYS   6           1HG      LYS   6   7.812   1.865  12.162
   50    HG3  LYS   6           2HG      LYS   6   9.445   2.504  12.339
   51    HD2  LYS   6           1HD      LYS   6   8.867   3.427  14.515
   52    HD3  LYS   6           2HD      LYS   6   7.208   2.849  14.333
   53    HE2  LYS   6           1HE      LYS   6   8.088   0.534  14.184
   54    HE3  LYS   6           2HE      LYS   6   9.701   1.163  14.509
   55    HZ1  LYS   6           3HZ      LYS   6   8.875   2.013  16.633
   56    HZ2  LYS   6           1HZ      LYS   6   8.704   0.335  16.522
   57    HZ3  LYS   6           2HZ      LYS   6   7.357   1.334  16.321
   58    H    THR   7           H        THR   7   9.017   1.945   9.369
   59    HA   THR   7           HA       THR   7  11.346   3.448   8.467
   60    HB   THR   7           HB       THR   7  12.793   1.489   8.992
   61    HG1  THR   7           1HG      THR   7  11.355   0.496  11.013
   62   HG21  THR   7          3HG2      THR   7  13.035   2.014  11.385
   63   HG22  THR   7          1HG2      THR   7  11.492   2.868  11.339
   64   HG23  THR   7          2HG2      THR   7  12.859   3.467  10.401
   65    H    ALA   8           H        ALA   8  12.310   2.735   6.579
   66    HA   ALA   8           HA       ALA   8  10.851   1.301   4.671
   67    HB1  ALA   8           1HB      ALA   8  12.811   2.734   4.166
   68    HB2  ALA   8           2HB      ALA   8  12.936   1.136   3.434
   69    HB3  ALA   8           3HB      ALA   8  13.864   1.517   4.885
   70    H    SER   9           H        SER   9  13.002   0.328   7.234
   71    HA   SER   9           HA       SER   9  13.380  -2.370   6.655
   72    HB2  SER   9           1HB      SER   9  14.653  -1.344   8.410
   73    HB3  SER   9           2HB      SER   9  13.193  -0.894   9.286
   74    HG   SER   9           HG       SER   9  14.057  -3.556   8.785
   75    H    GLU  10           H        GLU  10  10.765  -0.762   8.495
   76    HA   GLU  10           HA       GLU  10   9.419  -3.142   9.219
   77    HB2  GLU  10           1HB      GLU  10   8.429  -0.320   8.826
   78    HB3  GLU  10           2HB      GLU  10   7.373  -1.619   9.362
   79    HG2  GLU  10           1HG      GLU  10   9.860  -0.698  10.783
   80    HG3  GLU  10           2HG      GLU  10   8.209  -0.261  11.217
   81    H    PHE  11           H        PHE  11   9.124  -1.040   6.433
   82    HA   PHE  11           HA       PHE  11   7.013  -2.428   5.162
   83    HB2  PHE  11           1HB      PHE  11   7.290  -0.232   4.492
   84    HB3  PHE  11           2HB      PHE  11   9.036  -0.372   4.349
   85    HD1  PHE  11           2HD      PHE  11   5.818  -1.075   2.730
   86    HD2  PHE  11           1HD      PHE  11  10.046  -1.069   2.317
   87    HE1  PHE  11           2HE      PHE  11   5.571  -1.353   0.298
   88    HE2  PHE  11           1HE      PHE  11   9.812  -1.346  -0.118
   89    HZ   PHE  11           HZ       PHE  11   7.572  -1.488  -1.131
   90    H    ASP  12           H        ASP  12  10.539  -2.536   4.765
   91    HA   ASP  12           HA       ASP  12  10.601  -4.302   2.591
   92    HB2  ASP  12           1HB      ASP  12  12.546  -2.980   3.286
   93    HB3  ASP  12           2HB      ASP  12  12.676  -3.938   4.757
   94    H    SER  13           H        SER  13  10.676  -4.950   6.073
   95    HA   SER  13           HA       SER  13  11.129  -7.728   5.797
   96    HB2  SER  13           1HB      SER  13  11.560  -6.444   7.890
   97    HB3  SER  13           2HB      SER  13   9.818  -6.282   8.114
   98    HG   SER  13           HG       SER  13  11.127  -8.785   7.861
   99    H    ALA  14           H        ALA  14   8.182  -5.790   6.053
  100    HA   ALA  14           HA       ALA  14   6.389  -7.966   6.215
  101    HB1  ALA  14           1HB      ALA  14   4.672  -6.348   5.488
  102    HB2  ALA  14           2HB      ALA  14   5.949  -5.178   5.156
  103    HB3  ALA  14           3HB      ALA  14   5.670  -5.734   6.807
  104    H    ILE  15           H        ILE  15   7.496  -6.020   3.458
  105    HA   ILE  15           HA       ILE  15   5.919  -7.393   1.558
  106    HB   ILE  15           HB       ILE  15   7.262  -6.259  -0.135
  107   HG12  ILE  15          1HG1      ILE  15   8.905  -5.118   2.113
  108   HG13  ILE  15          2HG1      ILE  15   9.419  -6.533   1.207
  109   HG21  ILE  15          1HG2      ILE  15   6.572  -4.497   2.215
  110   HG22  ILE  15          2HG2      ILE  15   5.452  -5.049   0.970
  111   HG23  ILE  15          3HG2      ILE  15   6.773  -3.959   0.548
  112   HD11  ILE  15          3HD1      ILE  15   9.409  -5.216  -0.844
  113   HD12  ILE  15          1HD1      ILE  15  10.469  -4.509   0.376
  114   HD13  ILE  15          2HD1      ILE  15   8.884  -3.801   0.069
  115    H    ALA  16           H        ALA  16   8.881  -8.207   3.097
  116    HA   ALA  16           HA       ALA  16   9.791  -9.954   0.976
  117    HB1  ALA  16           1HB      ALA  16  10.785  -9.724   3.810
  118    HB2  ALA  16           2HB      ALA  16  11.394  -8.787   2.442
  119    HB3  ALA  16           3HB      ALA  16  11.598 -10.540   2.474
  120    H    GLN  17           H        GLN  17   7.573 -10.115   3.476
  121    HA   GLN  17           HA       GLN  17   7.866 -12.837   4.217
  122    HB2  GLN  17           1HB      GLN  17   5.543 -10.923   4.460
  123    HB3  GLN  17           2HB      GLN  17   5.507 -12.562   5.093
  124    HG2  GLN  17           1HG      GLN  17   7.381 -12.050   6.559
  125    HG3  GLN  17           2HG      GLN  17   7.452 -10.414   5.906
  126   HE21  GLN  17          1HE2      GLN  17   5.647 -12.640   7.883
  127   HE22  GLN  17          2HE2      GLN  17   4.653 -11.454   8.658
  128    H    ASP  18           H        ASP  18   6.572 -14.607   3.630
  129    HA   ASP  18           HA       ASP  18   5.897 -14.689   0.834
  130    HB2  ASP  18           1HB      ASP  18   6.136 -16.623   3.052
  131    HB3  ASP  18           2HB      ASP  18   5.086 -17.082   1.720
  132    H    LYS  19           H        LYS  19   4.278 -12.923   2.250
  133    HA   LYS  19           HA       LYS  19   1.647 -14.119   1.754
  134    HB2  LYS  19           1HB      LYS  19   0.743 -13.467   3.734
  135    HB3  LYS  19           2HB      LYS  19   2.352 -13.918   4.248
  136    HG2  LYS  19           1HG      LYS  19   3.028 -11.697   4.513
  137    HG3  LYS  19           2HG      LYS  19   1.672 -11.081   3.562
  138    HD2  LYS  19           1HD      LYS  19   1.442 -12.455   6.236
  139    HD3  LYS  19           2HD      LYS  19   1.366 -10.711   5.978
  140    HE2  LYS  19           1HE      LYS  19  -0.639 -10.895   4.720
  141    HE3  LYS  19           2HE      LYS  19  -0.497 -12.650   4.617
  142    HZ1  LYS  19           3HZ      LYS  19  -2.131 -12.070   6.257
  143    HZ2  LYS  19           1HZ      LYS  19  -1.045 -11.046   7.061
  144    HZ3  LYS  19           2HZ      LYS  19  -0.789 -12.721   7.051
  145    H    LEU  20           H        LEU  20  -0.039 -12.376   1.544
  146    HA   LEU  20           HA       LEU  20   0.932 -10.393  -0.292
  147    HB2  LEU  20           1HB      LEU  20  -1.282 -11.719  -0.389
  148    HB3  LEU  20           2HB      LEU  20  -1.885 -10.571   0.783
  149    HG   LEU  20           HG       LEU  20  -2.645  -9.901  -1.366
  150   HD11  LEU  20          1HD1      LEU  20  -0.359  -8.110  -0.594
  151   HD12  LEU  20          2HD1      LEU  20  -1.996  -8.060   0.059
  152   HD13  LEU  20          3HD1      LEU  20  -1.713  -7.678  -1.638
  153   HD21  LEU  20          3HD2      LEU  20  -1.271  -9.548  -3.270
  154   HD22  LEU  20          1HD2      LEU  20  -0.932 -11.161  -2.647
  155   HD23  LEU  20          2HD2      LEU  20   0.197  -9.841  -2.336
  156    H    VAL  21           H        VAL  21   1.984  -8.710   0.552
  157    HA   VAL  21           HA       VAL  21   0.702  -7.269   2.776
  158    HB   VAL  21           HB       VAL  21   3.585  -7.255   1.856
  159   HG11  VAL  21          1HG1      VAL  21   2.312  -5.482   3.944
  160   HG12  VAL  21          2HG1      VAL  21   2.849  -4.954   2.350
  161   HG13  VAL  21          3HG1      VAL  21   4.028  -5.541   3.529
  162   HG21  VAL  21          3HG2      VAL  21   4.016  -7.980   4.154
  163   HG22  VAL  21          1HG2      VAL  21   2.931  -9.094   3.322
  164   HG23  VAL  21          2HG2      VAL  21   2.285  -7.944   4.492
  165    H    VAL  22           H        VAL  22  -0.614  -5.778   1.994
  166    HA   VAL  22           HA       VAL  22   0.224  -4.286  -0.361
  167    HB   VAL  22           HB       VAL  22  -1.836  -4.930  -0.976
  168   HG11  VAL  22          1HG1      VAL  22  -2.810  -4.868   1.859
  169   HG12  VAL  22          2HG1      VAL  22  -2.178  -6.284   1.019
  170   HG13  VAL  22          3HG1      VAL  22  -3.660  -5.515   0.452
  171   HG21  VAL  22          3HG2      VAL  22  -2.568  -2.573   0.754
  172   HG22  VAL  22          1HG2      VAL  22  -3.579  -3.253  -0.521
  173   HG23  VAL  22          2HG2      VAL  22  -2.028  -2.515  -0.926
  174    H    VAL  23           H        VAL  23   1.441  -2.685   0.194
  175    HA   VAL  23           HA       VAL  23   0.762  -0.971   2.483
  176    HB   VAL  23           HB       VAL  23   3.289  -1.230   0.832
  177   HG11  VAL  23          1HG1      VAL  23   2.758   0.543   3.207
  178   HG12  VAL  23          2HG1      VAL  23   2.971   1.081   1.542
  179   HG13  VAL  23          3HG1      VAL  23   4.312   0.325   2.403
  180   HG21  VAL  23          3HG2      VAL  23   2.751  -1.905   3.718
  181   HG22  VAL  23          1HG2      VAL  23   4.268  -2.135   2.855
  182   HG23  VAL  23          2HG2      VAL  23   2.846  -3.071   2.403
  183    H    ALA  24           H        ALA  24   0.323   1.232   2.203
  184    HA   ALA  24           HA       ALA  24   0.543   2.295  -0.530
  185    HB1  ALA  24           1HB      ALA  24  -1.851   1.803   0.284
  186    HB2  ALA  24           2HB      ALA  24  -1.504   3.351  -0.484
  187    HB3  ALA  24           3HB      ALA  24  -1.623   3.248   1.269
  188    H    PHE  25           H        PHE  25   1.945   3.786  -0.661
  189    HA   PHE  25           HA       PHE  25   2.834   5.313   1.568
  190    HB2  PHE  25           1HB      PHE  25   3.232   5.599  -1.409
  191    HB3  PHE  25           2HB      PHE  25   3.981   6.681  -0.237
  192    HD1  PHE  25           1HD      PHE  25   5.342   5.479   1.654
  193    HD2  PHE  25           2HD      PHE  25   4.400   3.742  -2.114
  194    HE1  PHE  25           1HE      PHE  25   7.216   3.910   1.910
  195    HE2  PHE  25           2HE      PHE  25   6.282   2.174  -1.867
  196    HZ   PHE  25           HZ       PHE  25   7.687   2.254   0.151
  197    H    TYR  26           H        TYR  26   2.033   7.123   2.366
  198    HA   TYR  26           HA       TYR  26  -0.062   8.562   0.865
  199    HB2  TYR  26           1HB      TYR  26   0.274   7.999   3.814
  200    HB3  TYR  26           2HB      TYR  26  -0.712   9.341   3.253
  201    HD1  TYR  26           2HD      TYR  26  -0.923   6.476   1.096
  202    HD2  TYR  26           1HD      TYR  26  -2.369   8.160   4.722
  203    HE1  TYR  26           2HE      TYR  26  -2.858   4.956   1.035
  204    HE2  TYR  26           1HE      TYR  26  -4.294   6.646   4.674
  205    HH   TYR  26           HH       TYR  26  -5.554   5.346   3.069
  206    H    ALA  27           H        ALA  27  -0.260  10.838   2.008
  207    HA   ALA  27           HA       ALA  27   2.242  11.858   3.024
  208    HB1  ALA  27           1HB      ALA  27   2.565  12.182   0.642
  209    HB2  ALA  27           2HB      ALA  27   2.288  13.743   1.414
  210    HB3  ALA  27           3HB      ALA  27   0.995  12.966   0.505
  211    H    THR  28           H        THR  28   1.850  13.305   4.559
  212    HA   THR  28           HA       THR  28  -0.691  13.637   5.627
  213    HB   THR  28           HB       THR  28   1.488  15.576   6.156
  214    HG1  THR  28           1HG      THR  28   1.589  12.833   6.395
  215   HG21  THR  28          3HG2      THR  28   0.687  15.371   8.469
  216   HG22  THR  28          1HG2      THR  28  -0.518  14.200   7.934
  217   HG23  THR  28          2HG2      THR  28  -0.602  15.871   7.375
  218    H    TRP  29           H        TRP  29   0.931  15.461   3.211
  219    HA   TRP  29           HA       TRP  29  -0.891  17.723   3.446
  220    HB2  TRP  29           1HB      TRP  29   0.619  18.765   1.761
  221    HB3  TRP  29           2HB      TRP  29   1.432  18.298   3.252
  222    HD1  TRP  29           HD       TRP  29   1.052  17.205  -0.383
  223    HE1  TRP  29           1HE      TRP  29   3.096  15.759  -1.039
  224    HE3  TRP  29           3HE      TRP  29   3.267  16.861   4.194
  225    HZ2  TRP  29           2HZ      TRP  29   5.341  14.627   0.251
  226    HZ3  TRP  29           3HZ      TRP  29   5.357  15.578   4.409
  227    HH2  TRP  29           HH       TRP  29   6.371  14.485   2.476
  228    H    CYS  30           H        CYS  30  -1.281  14.856   2.156
  229    HA   CYS  30           HA       CYS  30  -2.245  15.824  -0.444
  230    HB2  CYS  30           1HB      CYS  30  -1.213  14.060  -1.282
  231    HB3  CYS  30           2HB      CYS  30  -0.798  13.474   0.326
  232    H    GLY  31           H        GLY  31  -4.280  15.618  -1.071
  233    HA2  GLY  31           1HA      GLY  31  -6.284  15.148   0.942
  234    HA3  GLY  31           2HA      GLY  31  -6.550  15.706  -0.696
  235    HA   PRO  32           HA       PRO  32  -7.589  11.661  -2.129
  236    HB2  PRO  32           1HB      PRO  32  -5.037  10.581  -3.100
  237    HB3  PRO  32           2HB      PRO  32  -6.504  10.962  -4.003
  238    HG2  PRO  32           1HG      PRO  32  -4.292  12.441  -4.256
  239    HG3  PRO  32           2HG      PRO  32  -5.907  13.177  -4.298
  240    HD2  PRO  32           1HD      PRO  32  -3.958  13.021  -2.017
  241    HD3  PRO  32           2HD      PRO  32  -4.882  14.417  -2.570
  242    H    CYS  33           H        CYS  33  -4.532  11.579  -0.425
  243    HA   CYS  33           HA       CYS  33  -4.467   8.995   0.592
  244    HB2  CYS  33           1HB      CYS  33  -3.845  11.511   2.164
  245    HB3  CYS  33           2HB      CYS  33  -3.239   9.894   2.494
  246    H    LYS  34           H        LYS  34  -6.387  11.752   1.620
  247    HA   LYS  34           HA       LYS  34  -7.473  10.488   3.906
  248    HB2  LYS  34           1HB      LYS  34  -8.244  12.906   2.308
  249    HB3  LYS  34           2HB      LYS  34  -9.313  12.295   3.562
  250    HG2  LYS  34           1HG      LYS  34  -7.942  14.068   4.442
  251    HG3  LYS  34           2HG      LYS  34  -7.505  12.540   5.207
  252    HD2  LYS  34           1HD      LYS  34  -5.591  12.346   3.670
  253    HD3  LYS  34           2HD      LYS  34  -6.020  13.906   2.964
  254    HE2  LYS  34           1HE      LYS  34  -5.708  14.966   5.151
  255    HE3  LYS  34           2HE      LYS  34  -5.249  13.408   5.836
  256    HZ1  LYS  34           3HZ      LYS  34  -3.331  14.792   5.260
  257    HZ2  LYS  34           1HZ      LYS  34  -3.813  14.789   3.635
  258    HZ3  LYS  34           2HZ      LYS  34  -3.349  13.344   4.385
  259    H    MET  35           H        MET  35  -8.899  11.095   0.656
  260    HA   MET  35           HA       MET  35 -11.355   9.913   1.241
  261    HB2  MET  35           1HB      MET  35 -11.725   9.680  -1.152
  262    HB3  MET  35           2HB      MET  35 -11.023  11.242  -0.767
  263    HG2  MET  35           1HG      MET  35  -8.843  10.423  -1.491
  264    HG3  MET  35           2HG      MET  35  -9.563   8.864  -1.872
  265    HE1  MET  35           3HE      MET  35 -11.179  12.432  -2.488
  266    HE2  MET  35           1HE      MET  35 -10.563  12.782  -4.102
  267    HE3  MET  35           2HE      MET  35  -9.451  12.675  -2.738
  268    H    ILE  36           H        ILE  36  -8.515   8.283  -0.221
  269    HA   ILE  36           HA       ILE  36  -9.965   5.821  -0.296
  270    HB   ILE  36           HB       ILE  36  -8.486   5.409  -1.889
  271   HG12  ILE  36          1HG1      ILE  36  -7.632   4.137   0.307
  272   HG13  ILE  36          2HG1      ILE  36  -6.893   3.918  -1.260
  273   HG21  ILE  36          1HG2      ILE  36  -6.368   6.568  -2.227
  274   HG22  ILE  36          2HG2      ILE  36  -6.567   7.363  -0.664
  275   HG23  ILE  36          3HG2      ILE  36  -7.711   7.681  -1.967
  276   HD11  ILE  36          3HD1      ILE  36  -5.930   5.776   0.911
  277   HD12  ILE  36          1HD1      ILE  36  -5.150   5.525  -0.657
  278   HD13  ILE  36          2HD1      ILE  36  -5.234   4.198   0.510
  279    H    ALA  37           H        ALA  37  -8.108   7.422   2.131
  280    HA   ALA  37           HA       ALA  37  -7.092   5.199   3.464
  281    HB1  ALA  37           1HB      ALA  37  -6.445   7.510   3.920
  282    HB2  ALA  37           2HB      ALA  37  -6.829   6.596   5.388
  283    HB3  ALA  37           3HB      ALA  37  -7.989   7.761   4.748
  284    HA   PRO  38           HA       PRO  38 -11.250   4.727   6.000
  285    HB2  PRO  38           1HB      PRO  38 -13.372   5.924   4.632
  286    HB3  PRO  38           2HB      PRO  38 -12.683   6.468   6.164
  287    HG2  PRO  38           1HG      PRO  38 -12.155   7.432   3.397
  288    HG3  PRO  38           2HG      PRO  38 -12.252   8.353   4.911
  289    HD2  PRO  38           1HD      PRO  38  -9.900   7.806   3.792
  290    HD3  PRO  38           2HD      PRO  38 -10.100   7.753   5.555
  291    H    MET  39           H        MET  39 -11.321   5.209   2.436
  292    HA   MET  39           HA       MET  39 -13.061   3.033   1.945
  293    HB2  MET  39           1HB      MET  39 -10.934   4.248   0.187
  294    HB3  MET  39           2HB      MET  39 -12.065   3.020  -0.361
  295    HG2  MET  39           1HG      MET  39 -12.784   5.752   0.674
  296    HG3  MET  39           2HG      MET  39 -12.791   5.243  -1.013
  297    HE1  MET  39           3HE      MET  39 -16.606   5.657  -0.075
  298    HE2  MET  39           1HE      MET  39 -15.309   6.199  -1.139
  299    HE3  MET  39           2HE      MET  39 -15.269   6.604   0.575
  300    H    ILE  40           H        ILE  40  -9.491   3.118   1.803
  301    HA   ILE  40           HA       ILE  40  -9.002   0.455   1.334
  302    HB   ILE  40           HB       ILE  40  -7.446   2.659   2.056
  303   HG12  ILE  40          1HG1      ILE  40  -5.563   1.020   1.507
  304   HG13  ILE  40          2HG1      ILE  40  -6.828  -0.189   1.312
  305   HG21  ILE  40          1HG2      ILE  40  -6.860   0.378   3.899
  306   HG22  ILE  40          2HG2      ILE  40  -7.537   1.933   4.380
  307   HG23  ILE  40          3HG2      ILE  40  -5.906   1.849   3.711
  308   HD11  ILE  40          3HD1      ILE  40  -7.868   1.379  -0.384
  309   HD12  ILE  40          1HD1      ILE  40  -6.337   0.619  -0.835
  310   HD13  ILE  40          2HD1      ILE  40  -6.357   2.292  -0.287
  311    H    GLU  41           H        GLU  41  -9.874   1.986   4.378
  312    HA   GLU  41           HA       GLU  41  -9.517  -0.228   6.062
  313    HB2  GLU  41           1HB      GLU  41 -11.587   1.966   6.171
  314    HB3  GLU  41           2HB      GLU  41 -11.365   0.775   7.445
  315    HG2  GLU  41           1HG      GLU  41  -9.027   1.550   7.697
  316    HG3  GLU  41           2HG      GLU  41  -9.359   2.812   6.512
  317    H    LYS  42           H        LYS  42 -12.396   0.721   4.178
  318    HA   LYS  42           HA       LYS  42 -13.908  -1.553   4.845
  319    HB2  LYS  42           1HB      LYS  42 -15.075   0.255   3.839
  320    HB3  LYS  42           2HB      LYS  42 -13.962   0.317   2.482
  321    HG2  LYS  42           1HG      LYS  42 -16.182  -0.601   1.907
  322    HG3  LYS  42           2HG      LYS  42 -14.856  -1.716   1.579
  323    HD2  LYS  42           1HD      LYS  42 -15.331  -2.946   3.585
  324    HD3  LYS  42           2HD      LYS  42 -16.582  -1.788   4.050
  325    HE2  LYS  42           1HE      LYS  42 -16.603  -3.638   1.670
  326    HE3  LYS  42           2HE      LYS  42 -17.613  -3.757   3.108
  327    HZ1  LYS  42           3HZ      LYS  42 -18.652  -1.665   2.514
  328    HZ2  LYS  42           1HZ      LYS  42 -18.815  -2.784   1.258
  329    HZ3  LYS  42           2HZ      LYS  42 -17.681  -1.538   1.135
  330    H    PHE  43           H        PHE  43 -11.762  -0.924   2.130
  331    HA   PHE  43           HA       PHE  43 -12.106  -3.461   1.029
  332    HB2  PHE  43           1HB      PHE  43  -9.933  -1.432   0.608
  333    HB3  PHE  43           2HB      PHE  43 -10.035  -2.963  -0.261
  334    HD1  PHE  43           2HD      PHE  43 -12.047   0.051   0.518
  335    HD2  PHE  43           1HD      PHE  43 -11.255  -3.094  -2.231
  336    HE1  PHE  43           2HE      PHE  43 -13.618   1.067  -1.079
  337    HE2  PHE  43           1HE      PHE  43 -12.838  -2.088  -3.828
  338    HZ   PHE  43           HZ       PHE  43 -14.017  -0.008  -3.256
  339    H    SER  44           H        SER  44 -10.247  -2.397   3.751
  340    HA   SER  44           HA       SER  44  -8.339  -4.541   3.586
  341    HB2  SER  44           1HB      SER  44  -7.567  -3.825   5.746
  342    HB3  SER  44           2HB      SER  44  -7.811  -2.392   4.762
  343    HG   SER  44           HG       SER  44 -10.047  -2.590   5.925
  344    H    GLU  45           H        GLU  45 -11.502  -4.089   4.563
  345    HA   GLU  45           HA       GLU  45 -11.671  -6.458   6.223
  346    HB2  GLU  45           1HB      GLU  45 -13.234  -4.564   6.522
  347    HB3  GLU  45           2HB      GLU  45 -13.825  -4.797   4.884
  348    HG2  GLU  45           1HG      GLU  45 -14.752  -6.936   5.476
  349    HG3  GLU  45           2HG      GLU  45 -14.055  -6.824   7.094
  350    H    GLN  46           H        GLN  46 -11.720  -5.528   2.938
  351    HA   GLN  46           HA       GLN  46 -12.764  -8.010   1.962
  352    HB2  GLN  46           1HB      GLN  46 -11.298  -5.944   0.357
  353    HB3  GLN  46           2HB      GLN  46 -12.431  -7.151  -0.233
  354    HG2  GLN  46           1HG      GLN  46 -13.066  -4.761   1.489
  355    HG3  GLN  46           2HG      GLN  46 -13.475  -4.998  -0.212
  356   HE21  GLN  46          1HE2      GLN  46 -15.100  -6.448  -0.777
  357   HE22  GLN  46          2HE2      GLN  46 -16.261  -7.016   0.372
  358    H    TYR  47           H        TYR  47  -9.813  -7.108   3.150
  359    HA   TYR  47           HA       TYR  47  -8.795  -9.641   2.180
  360    HB2  TYR  47           1HB      TYR  47  -6.443  -8.797   2.129
  361    HB3  TYR  47           2HB      TYR  47  -7.483  -8.336   0.808
  362    HD1  TYR  47           1HD      TYR  47  -8.524  -6.030   0.943
  363    HD2  TYR  47           2HD      TYR  47  -5.121  -7.139   3.229
  364    HE1  TYR  47           1HE      TYR  47  -7.831  -3.667   1.057
  365    HE2  TYR  47           2HE      TYR  47  -4.445  -4.805   3.367
  366    HH   TYR  47           HH       TYR  47  -6.484  -2.223   2.497
  367    HA   PRO  48           HA       PRO  48  -8.259  -9.739   6.664
  368    HB2  PRO  48           1HB      PRO  48  -9.435 -12.346   6.637
  369    HB3  PRO  48           2HB      PRO  48 -10.123 -10.855   7.276
  370    HG2  PRO  48           1HG      PRO  48 -11.092 -12.223   5.079
  371    HG3  PRO  48           2HG      PRO  48 -11.393 -10.512   5.419
  372    HD2  PRO  48           1HD      PRO  48  -9.419 -11.757   3.550
  373    HD3  PRO  48           2HD      PRO  48 -10.393 -10.282   3.351
  374    H    GLN  49           H        GLN  49  -7.427 -11.918   4.063
  375    HA   GLN  49           HA       GLN  49  -5.586 -13.381   5.793
  376    HB2  GLN  49           1HB      GLN  49  -5.553 -15.093   4.265
  377    HB3  GLN  49           2HB      GLN  49  -7.166 -14.456   4.013
  378    HG2  GLN  49           1HG      GLN  49  -4.775 -13.818   2.309
  379    HG3  GLN  49           2HG      GLN  49  -5.988 -15.035   1.932
  380   HE21  GLN  49          1HE2      GLN  49  -5.189 -11.705   1.921
  381   HE22  GLN  49          2HE2      GLN  49  -6.605 -11.141   1.107
  382    H    ALA  50           H        ALA  50  -5.544 -10.619   4.111
  383    HA   ALA  50           HA       ALA  50  -2.656 -10.793   3.622
  384    HB1  ALA  50           1HB      ALA  50  -4.581  -8.927   2.240
  385    HB2  ALA  50           2HB      ALA  50  -3.984 -10.428   1.542
  386    HB3  ALA  50           3HB      ALA  50  -2.863  -9.117   1.907
  387    H    ASP  51           H        ASP  51  -1.637  -8.575   3.893
  388    HA   ASP  51           HA       ASP  51  -2.790  -7.456   6.343
  389    HB2  ASP  51           1HB      ASP  51  -0.055  -8.219   5.609
  390    HB3  ASP  51           2HB      ASP  51  -0.179  -6.662   6.422
  391    H    PHE  52           H        PHE  52  -3.639  -5.574   6.185
  392    HA   PHE  52           HA       PHE  52  -3.008  -3.770   4.041
  393    HB2  PHE  52           1HB      PHE  52  -4.660  -2.291   5.490
  394    HB3  PHE  52           2HB      PHE  52  -5.253  -3.598   4.480
  395    HD1  PHE  52           1HD      PHE  52  -6.083  -5.640   5.454
  396    HD2  PHE  52           2HD      PHE  52  -4.684  -2.458   7.897
  397    HE1  PHE  52           1HE      PHE  52  -7.202  -6.637   7.387
  398    HE2  PHE  52           2HE      PHE  52  -5.795  -3.461   9.849
  399    HZ   PHE  52           HZ       PHE  52  -7.058  -5.559   9.595
  400    H    TYR  53           H        TYR  53  -1.351  -2.331   4.139
  401    HA   TYR  53           HA       TYR  53  -1.073  -0.835   6.664
  402    HB2  TYR  53           1HB      TYR  53   1.303  -1.555   4.931
  403    HB3  TYR  53           2HB      TYR  53   1.319  -0.789   6.521
  404    HD1  TYR  53           2HD      TYR  53   0.129  -2.279   8.399
  405    HD2  TYR  53           1HD      TYR  53   1.906  -3.775   4.849
  406    HE1  TYR  53           2HE      TYR  53   0.452  -4.451   9.493
  407    HE2  TYR  53           1HE      TYR  53   2.236  -5.962   5.931
  408    HH   TYR  53           HH       TYR  53   0.690  -6.889   8.700
  409    H    LYS  54           H        LYS  54  -0.727   1.357   6.413
  410    HA   LYS  54           HA       LYS  54  -0.334   2.370   3.661
  411    HB2  LYS  54           1HB      LYS  54  -1.968   3.840   5.738
  412    HB3  LYS  54           2HB      LYS  54  -1.794   4.249   4.039
  413    HG2  LYS  54           1HG      LYS  54  -3.285   1.875   5.169
  414    HG3  LYS  54           2HG      LYS  54  -4.008   3.351   4.553
  415    HD2  LYS  54           1HD      LYS  54  -4.025   2.537   2.459
  416    HD3  LYS  54           2HD      LYS  54  -2.280   2.184   2.566
  417    HE2  LYS  54           1HE      LYS  54  -2.825   0.097   3.789
  418    HE3  LYS  54           2HE      LYS  54  -4.536   0.430   3.527
  419    HZ1  LYS  54           3HZ      LYS  54  -4.064   0.375   1.113
  420    HZ2  LYS  54           1HZ      LYS  54  -3.769  -1.103   1.883
  421    HZ3  LYS  54           2HZ      LYS  54  -2.478  -0.097   1.456
  422    H    LEU  55           H        LEU  55   1.494   3.637   3.522
  423    HA   LEU  55           HA       LEU  55   2.675   4.449   6.107
  424    HB2  LEU  55           1HB      LEU  55   4.144   4.618   3.520
  425    HB3  LEU  55           2HB      LEU  55   4.767   4.510   5.151
  426    HG   LEU  55           HG       LEU  55   3.672   2.340   3.440
  427   HD11  LEU  55          1HD1      LEU  55   5.725   1.256   4.057
  428   HD12  LEU  55          2HD1      LEU  55   6.086   2.557   5.196
  429   HD13  LEU  55          3HD1      LEU  55   6.067   2.881   3.461
  430   HD21  LEU  55          3HD2      LEU  55   2.465   2.128   5.541
  431   HD22  LEU  55          1HD2      LEU  55   3.989   2.210   6.418
  432   HD23  LEU  55          2HD2      LEU  55   3.658   0.842   5.363
  433    H    ASP  56           H        ASP  56   4.125   6.557   5.749
  434    HA   ASP  56           HA       ASP  56   2.793   8.448   3.918
  435    HB2  ASP  56           1HB      ASP  56   2.203   8.801   6.421
  436    HB3  ASP  56           2HB      ASP  56   3.875   9.326   6.586
  437    H    VAL  57           H        VAL  57   4.188   9.549   2.698
  438    HA   VAL  57           HA       VAL  57   6.888   8.659   2.584
  439    HB   VAL  57           HB       VAL  57   7.152  10.295   0.772
  440   HG11  VAL  57          1HG1      VAL  57   6.105   8.149   0.270
  441   HG12  VAL  57          2HG1      VAL  57   5.424   9.429  -0.734
  442   HG13  VAL  57          3HG1      VAL  57   4.519   8.821   0.653
  443   HG21  VAL  57          3HG2      VAL  57   5.405  11.828   0.155
  444   HG22  VAL  57          1HG2      VAL  57   5.801  12.088   1.856
  445   HG23  VAL  57          2HG2      VAL  57   4.346  11.193   1.415
  446    H    ASP  58           H        ASP  58   5.409  10.947   4.557
  447    HA   ASP  58           HA       ASP  58   7.425  12.956   4.580
  448    HB2  ASP  58           1HB      ASP  58   6.198  13.966   6.253
  449    HB3  ASP  58           2HB      ASP  58   4.962  12.982   5.476
  450    H    GLU  59           H        GLU  59   6.933   9.948   6.305
  451    HA   GLU  59           HA       GLU  59   9.583  10.295   7.536
  452    HB2  GLU  59           1HB      GLU  59   7.410   8.301   8.211
  453    HB3  GLU  59           2HB      GLU  59   8.968   8.418   9.015
  454    HG2  GLU  59           1HG      GLU  59   8.380  10.727   9.701
  455    HG3  GLU  59           2HG      GLU  59   6.777  10.480   9.011
  456    H    LEU  60           H        LEU  60   7.716   8.458   5.271
  457    HA   LEU  60           HA       LEU  60   9.972   6.628   4.847
  458    HB2  LEU  60           1HB      LEU  60   7.042   6.401   4.143
  459    HB3  LEU  60           2HB      LEU  60   8.264   5.372   3.409
  460    HG   LEU  60           HG       LEU  60   7.307   4.123   5.171
  461   HD11  LEU  60          1HD1      LEU  60   9.162   3.677   6.627
  462   HD12  LEU  60          2HD1      LEU  60   9.867   5.254   6.279
  463   HD13  LEU  60          3HD1      LEU  60   9.777   4.030   5.009
  464   HD21  LEU  60          3HD2      LEU  60   7.792   6.473   6.993
  465   HD22  LEU  60          1HD2      LEU  60   7.124   4.911   7.465
  466   HD23  LEU  60          2HD2      LEU  60   6.227   5.957   6.364
  467    H    GLY  61           H        GLY  61  10.621   8.995   3.903
  468    HA2  GLY  61           1HA      GLY  61   9.705   9.436   1.207
  469    HA3  GLY  61           2HA      GLY  61  11.002  10.293   2.025
  470    H    ASP  62           H        ASP  62  12.575   8.030   2.697
  471    HA   ASP  62           HA       ASP  62  14.041   7.827   0.275
  472    HB2  ASP  62           1HB      ASP  62  14.369   6.340   2.884
  473    HB3  ASP  62           2HB      ASP  62  15.526   6.305   1.559
  474    H    VAL  63           H        VAL  63  12.064   5.527   2.116
  475    HA   VAL  63           HA       VAL  63  12.479   3.357   0.356
  476    HB   VAL  63           HB       VAL  63  11.607   2.938   2.587
  477   HG11  VAL  63          1HG1      VAL  63   9.138   4.382   1.713
  478   HG12  VAL  63          2HG1      VAL  63  10.312   4.940   2.908
  479   HG13  VAL  63          3HG1      VAL  63   9.354   3.488   3.221
  480   HG21  VAL  63          3HG2      VAL  63  11.064   1.305   0.901
  481   HG22  VAL  63          1HG2      VAL  63   9.648   2.246   0.426
  482   HG23  VAL  63          2HG2      VAL  63   9.706   1.484   2.017
  483    H    ALA  64           H        ALA  64  10.039   5.891   0.484
  484    HA   ALA  64           HA       ALA  64   8.424   5.127  -1.641
  485    HB1  ALA  64           1HB      ALA  64   7.925   6.989  -0.128
  486    HB2  ALA  64           2HB      ALA  64   7.806   7.467  -1.821
  487    HB3  ALA  64           3HB      ALA  64   9.218   7.931  -0.870
  488    H    GLN  65           H        GLN  65  11.584   6.661  -1.637
  489    HA   GLN  65           HA       GLN  65  11.529   7.375  -4.406
  490    HB2  GLN  65           1HB      GLN  65  13.786   7.180  -2.406
  491    HB3  GLN  65           2HB      GLN  65  14.010   7.713  -4.068
  492    HG2  GLN  65           1HG      GLN  65  12.424   9.551  -3.662
  493    HG3  GLN  65           2HG      GLN  65  12.290   9.035  -1.978
  494   HE21  GLN  65          1HE2      GLN  65  13.082  10.982  -1.221
  495   HE22  GLN  65          2HE2      GLN  65  14.748  11.422  -1.357
  496    H    LYS  66           H        LYS  66  12.749   4.676  -2.523
  497    HA   LYS  66           HA       LYS  66  14.107   3.305  -4.520
  498    HB2  LYS  66           1HB      LYS  66  12.562   2.230  -2.165
  499    HB3  LYS  66           2HB      LYS  66  13.754   1.334  -3.092
  500    HG2  LYS  66           1HG      LYS  66  15.330   3.291  -2.423
  501    HG3  LYS  66           2HG      LYS  66  14.127   3.555  -1.161
  502    HD2  LYS  66           1HD      LYS  66  15.596   0.966  -1.656
  503    HD3  LYS  66           2HD      LYS  66  15.994   2.138  -0.400
  504    HE2  LYS  66           1HE      LYS  66  13.709   1.814   0.533
  505    HE3  LYS  66           2HE      LYS  66  13.449   0.542  -0.657
  506    HZ1  LYS  66           3HZ      LYS  66  15.533   0.559   1.456
  507    HZ2  LYS  66           1HZ      LYS  66  15.342  -0.648   0.289
  508    HZ3  LYS  66           2HZ      LYS  66  14.137  -0.395   1.443
  509    H    ASN  67           H        ASN  67  10.723   3.393  -3.638
  510    HA   ASN  67           HA       ASN  67  10.057   1.381  -5.631
  511    HB2  ASN  67           1HB      ASN  67   8.395   2.832  -3.567
  512    HB3  ASN  67           2HB      ASN  67   7.727   1.681  -4.722
  513   HD21  ASN  67          1HD2      ASN  67   9.821   2.087  -1.957
  514   HD22  ASN  67          2HD2      ASN  67   9.899   0.414  -1.527
  515    H    GLU  68           H        GLU  68  10.871   4.400  -5.887
  516    HA   GLU  68           HA       GLU  68  10.585   6.056  -7.390
  517    HB2  GLU  68           1HB      GLU  68   9.353   3.770  -8.918
  518    HB3  GLU  68           2HB      GLU  68   9.658   5.354  -9.619
  519    HG2  GLU  68           1HG      GLU  68  12.025   5.126  -9.209
  520    HG3  GLU  68           2HG      GLU  68  11.760   3.587  -8.393
  521    H    VAL  69           H        VAL  69   8.761   6.135  -5.377
  522    HA   VAL  69           HA       VAL  69   6.088   6.435  -6.346
  523    HB   VAL  69           HB       VAL  69   7.411   7.329  -3.781
  524   HG11  VAL  69          1HG1      VAL  69   5.170   7.698  -2.893
  525   HG12  VAL  69          2HG1      VAL  69   4.477   7.344  -4.475
  526   HG13  VAL  69          3HG1      VAL  69   5.496   8.767  -4.258
  527   HG21  VAL  69          3HG2      VAL  69   7.283   4.918  -4.067
  528   HG22  VAL  69          1HG2      VAL  69   5.554   5.036  -4.396
  529   HG23  VAL  69          2HG2      VAL  69   6.178   5.454  -2.800
  530    H    SER  70           H        SER  70   5.651   7.948  -7.782
  531    HA   SER  70           HA       SER  70   6.698  10.660  -7.344
  532    HB2  SER  70           1HB      SER  70   6.261  10.925  -9.840
  533    HB3  SER  70           2HB      SER  70   7.581   9.841  -9.401
  534    HG   SER  70           HG       SER  70   6.437   8.679 -10.829
  535    H    ALA  71           H        ALA  71   3.923   8.665  -7.832
  536    HA   ALA  71           HA       ALA  71   2.187  11.026  -7.576
  537    HB1  ALA  71           1HB      ALA  71   1.922   9.966  -9.767
  538    HB2  ALA  71           2HB      ALA  71   0.461   9.798  -8.795
  539    HB3  ALA  71           3HB      ALA  71   1.556   8.429  -8.982
  540    H    MET  72           H        MET  72   1.257  11.114  -5.652
  541    HA   MET  72           HA       MET  72   0.981   8.639  -4.109
  542    HB2  MET  72           1HB      MET  72   0.611  10.241  -2.168
  543    HB3  MET  72           2HB      MET  72   2.220  10.219  -2.870
  544    HG2  MET  72           1HG      MET  72   1.672  12.476  -2.440
  545    HG3  MET  72           2HG      MET  72   1.586  12.248  -4.183
  546    HE1  MET  72           3HE      MET  72   0.241  14.509  -4.496
  547    HE2  MET  72           1HE      MET  72   0.375  14.792  -2.759
  548    HE3  MET  72           2HE      MET  72  -1.195  14.925  -3.556
  549    HA   PRO  73           HA       PRO  73  -0.086   8.035  -2.188
  550    HB2  PRO  73           1HB      PRO  73  -2.313   6.136  -2.361
  551    HB3  PRO  73           2HB      PRO  73  -1.663   6.967  -0.946
  552    HG2  PRO  73           1HG      PRO  73  -4.075   7.574  -1.976
  553    HG3  PRO  73           2HG      PRO  73  -3.033   8.798  -1.225
  554    HD2  PRO  73           1HD      PRO  73  -3.470   8.212  -4.133
  555    HD3  PRO  73           2HD      PRO  73  -3.363   9.777  -3.304
  556    H    THR  74           H        THR  74   0.598   5.671  -2.281
  557    HA   THR  74           HA       THR  74   0.466   4.627  -5.019
  558    HB   THR  74           HB       THR  74   2.963   4.577  -3.320
  559    HG1  THR  74           1HG      THR  74   1.991   6.465  -5.157
  560   HG21  THR  74          3HG2      THR  74   2.479   3.939  -6.231
  561   HG22  THR  74          1HG2      THR  74   2.808   2.773  -4.953
  562   HG23  THR  74          2HG2      THR  74   4.049   3.932  -5.431
  563    H    LEU  75           H        LEU  75  -0.483   2.675  -4.915
  564    HA   LEU  75           HA       LEU  75  -0.190   1.122  -2.447
  565    HB2  LEU  75           1HB      LEU  75  -2.400   1.524  -4.343
  566    HB3  LEU  75           2HB      LEU  75  -2.155  -0.130  -3.803
  567    HG   LEU  75           HG       LEU  75  -2.335   2.105  -1.812
  568   HD11  LEU  75          1HD1      LEU  75  -4.347   2.215  -3.246
  569   HD12  LEU  75          2HD1      LEU  75  -4.697   1.741  -1.585
  570   HD13  LEU  75          3HD1      LEU  75  -4.672   0.526  -2.859
  571   HD21  LEU  75          3HD2      LEU  75  -1.501  -0.037  -1.050
  572   HD22  LEU  75          1HD2      LEU  75  -2.918  -0.843  -1.720
  573   HD23  LEU  75          2HD2      LEU  75  -3.099   0.278  -0.373
  574    H    LEU  76           H        LEU  76   1.328  -0.289  -2.571
  575    HA   LEU  76           HA       LEU  76   1.598  -1.874  -5.037
  576    HB2  LEU  76           1HB      LEU  76   3.843  -1.219  -3.124
  577    HB3  LEU  76           2HB      LEU  76   3.976  -1.959  -4.706
  578    HG   LEU  76           HG       LEU  76   3.134   0.900  -4.224
  579   HD11  LEU  76          1HD1      LEU  76   5.791  -0.216  -5.113
  580   HD12  LEU  76          2HD1      LEU  76   5.453   0.534  -3.553
  581   HD13  LEU  76          3HD1      LEU  76   5.361   1.493  -5.030
  582   HD21  LEU  76          3HD2      LEU  76   2.242   0.054  -6.281
  583   HD22  LEU  76          1HD2      LEU  76   3.801  -0.647  -6.714
  584   HD23  LEU  76          2HD2      LEU  76   3.609   1.106  -6.653
  585    H    LEU  77           H        LEU  77   0.894  -3.865  -4.614
  586    HA   LEU  77           HA       LEU  77   1.191  -4.838  -1.882
  587    HB2  LEU  77           1HB      LEU  77   0.050  -6.737  -3.740
  588    HB3  LEU  77           2HB      LEU  77  -0.596  -6.109  -2.239
  589    HG   LEU  77           HG       LEU  77  -0.852  -4.817  -4.960
  590   HD11  LEU  77          1HD1      LEU  77  -3.247  -5.368  -4.597
  591   HD12  LEU  77          2HD1      LEU  77  -2.791  -6.238  -3.127
  592   HD13  LEU  77          3HD1      LEU  77  -2.213  -6.794  -4.707
  593   HD21  LEU  77          3HD2      LEU  77  -2.178  -3.130  -3.983
  594   HD22  LEU  77          1HD2      LEU  77  -0.722  -3.213  -2.993
  595   HD23  LEU  77          2HD2      LEU  77  -2.223  -3.945  -2.426
  596    H    PHE  78           H        PHE  78   2.729  -6.156  -1.297
  597    HA   PHE  78           HA       PHE  78   4.444  -7.200  -3.421
  598    HB2  PHE  78           1HB      PHE  78   4.992  -6.289  -0.627
  599    HB3  PHE  78           2HB      PHE  78   6.091  -7.409  -1.413
  600    HD1  PHE  78           2HD      PHE  78   4.405  -4.136  -2.058
  601    HD2  PHE  78           1HD      PHE  78   7.873  -6.550  -2.560
  602    HE1  PHE  78           2HE      PHE  78   5.571  -2.241  -3.107
  603    HE2  PHE  78           1HE      PHE  78   9.044  -4.657  -3.604
  604    HZ   PHE  78           HZ       PHE  78   7.892  -2.499  -3.881
  605    H    LYS  79           H        LYS  79   5.372  -9.256  -3.215
  606    HA   LYS  79           HA       LYS  79   4.339 -11.001  -1.109
  607    HB2  LYS  79           1HB      LYS  79   2.911 -11.349  -3.067
  608    HB3  LYS  79           2HB      LYS  79   4.326 -11.577  -4.078
  609    HG2  LYS  79           1HG      LYS  79   4.872 -13.612  -2.797
  610    HG3  LYS  79           2HG      LYS  79   3.421 -13.372  -1.823
  611    HD2  LYS  79           1HD      LYS  79   3.376 -13.679  -4.820
  612    HD3  LYS  79           2HD      LYS  79   3.207 -15.034  -3.707
  613    HE2  LYS  79           1HE      LYS  79   1.411 -12.620  -3.613
  614    HE3  LYS  79           2HE      LYS  79   1.063 -14.020  -4.624
  615    HZ1  LYS  79           3HZ      LYS  79  -0.090 -14.176  -2.521
  616    HZ2  LYS  79           1HZ      LYS  79   1.362 -14.043  -1.667
  617    HZ3  LYS  79           2HZ      LYS  79   1.070 -15.399  -2.626
  618    H    ASN  80           H        ASN  80   5.970 -12.165  -0.268
  619    HA   ASN  80           HA       ASN  80   8.140 -12.701   0.173
  620    HB2  ASN  80           1HB      ASN  80   8.987 -14.460  -1.528
  621    HB3  ASN  80           2HB      ASN  80   7.553 -14.791  -0.578
  622   HD21  ASN  80          1HD2      ASN  80   7.802 -12.807  -3.517
  623   HD22  ASN  80          2HD2      ASN  80   6.714 -13.778  -4.447
  624    H    GLY  81           H        GLY  81   8.279 -10.183  -0.799
  625    HA2  GLY  81           1HA      GLY  81   9.875  -8.676  -1.458
  626    HA3  GLY  81           2HA      GLY  81  11.019 -10.005  -1.400
  627    H    LYS  82           H        LYS  82   8.316 -10.366  -3.521
  628    HA   LYS  82           HA       LYS  82  10.055  -9.708  -5.800
  629    HB2  LYS  82           1HB      LYS  82  10.177 -11.960  -5.996
  630    HB3  LYS  82           2HB      LYS  82   8.765 -12.224  -4.991
  631    HG2  LYS  82           1HG      LYS  82   7.327 -11.753  -6.873
  632    HG3  LYS  82           2HG      LYS  82   8.736 -11.473  -7.900
  633    HD2  LYS  82           1HD      LYS  82   9.467 -13.781  -7.517
  634    HD3  LYS  82           2HD      LYS  82   8.056 -14.058  -6.495
  635    HE2  LYS  82           1HE      LYS  82   7.733 -14.939  -8.760
  636    HE3  LYS  82           2HE      LYS  82   6.580 -13.661  -8.379
  637    HZ1  LYS  82           3HZ      LYS  82   7.901 -12.112  -9.638
  638    HZ2  LYS  82           1HZ      LYS  82   7.519 -13.439 -10.610
  639    HZ3  LYS  82           2HZ      LYS  82   9.069 -13.290  -9.952
  640    H    GLU  83           H        GLU  83   7.396  -8.869  -4.201
  641    HA   GLU  83           HA       GLU  83   5.641  -7.540  -4.619
  642    HB2  GLU  83           1HB      GLU  83   6.803  -7.496  -7.387
  643    HB3  GLU  83           2HB      GLU  83   5.298  -6.676  -7.000
  644    HG2  GLU  83           1HG      GLU  83   6.401  -5.250  -5.437
  645    HG3  GLU  83           2HG      GLU  83   7.903  -6.158  -5.601
  646    H    VAL  84           H        VAL  84   3.648  -7.384  -6.170
  647    HA   VAL  84           HA       VAL  84   2.943  -9.868  -7.441
  648    HB   VAL  84           HB       VAL  84   2.303  -9.915  -4.912
  649   HG11  VAL  84          1HG1      VAL  84   1.174  -7.790  -4.816
  650   HG12  VAL  84          2HG1      VAL  84   0.047  -9.098  -4.460
  651   HG13  VAL  84          3HG1      VAL  84   0.020  -8.320  -6.039
  652   HG21  VAL  84          3HG2      VAL  84   1.726 -11.644  -6.481
  653   HG22  VAL  84          1HG2      VAL  84   0.384 -10.677  -7.092
  654   HG23  VAL  84          2HG2      VAL  84   0.346 -11.295  -5.439
  655    H    ALA  85           H        ALA  85   2.276  -6.552  -6.586
  656    HA   ALA  85           HA       ALA  85   1.138  -6.047  -9.199
  657    HB1  ALA  85           1HB      ALA  85  -0.831  -4.823  -8.071
  658    HB2  ALA  85           2HB      ALA  85  -0.524  -5.909  -6.710
  659    HB3  ALA  85           3HB      ALA  85  -0.933  -6.568  -8.298
  660    H    LYS  86           H        LYS  86   0.744  -3.759  -9.559
  661    HA   LYS  86           HA       LYS  86   1.924  -1.964  -7.611
  662    HB2  LYS  86           1HB      LYS  86   3.829  -2.510  -8.990
  663    HB3  LYS  86           2HB      LYS  86   2.901  -2.240 -10.458
  664    HG2  LYS  86           1HG      LYS  86   2.784   0.120 -10.010
  665    HG3  LYS  86           2HG      LYS  86   3.566  -0.099  -8.449
  666    HD2  LYS  86           1HD      LYS  86   5.536  -1.052  -9.723
  667    HD3  LYS  86           2HD      LYS  86   4.752  -0.461 -11.187
  668    HE2  LYS  86           1HE      LYS  86   4.715   1.821 -10.142
  669    HE3  LYS  86           2HE      LYS  86   5.691   1.163  -8.831
  670    HZ1  LYS  86           3HZ      LYS  86   7.053   2.254 -10.511
  671    HZ2  LYS  86           1HZ      LYS  86   6.483   1.187 -11.691
  672    HZ3  LYS  86           2HZ      LYS  86   7.417   0.605 -10.408
  673    H    VAL  87           H        VAL  87   0.420  -0.473  -7.286
  674    HA   VAL  87           HA       VAL  87  -0.802   0.768  -9.666
  675    HB   VAL  87           HB       VAL  87  -2.105   0.743  -6.937
  676   HG11  VAL  87          1HG1      VAL  87  -2.757   2.546  -8.434
  677   HG12  VAL  87          2HG1      VAL  87  -4.092   1.416  -8.206
  678   HG13  VAL  87          3HG1      VAL  87  -3.151   1.377  -9.695
  679   HG21  VAL  87          3HG2      VAL  87  -1.954  -1.577  -7.763
  680   HG22  VAL  87          1HG2      VAL  87  -2.767  -1.087  -9.248
  681   HG23  VAL  87          2HG2      VAL  87  -3.620  -0.994  -7.703
  682    H    VAL  88           H        VAL  88  -0.671   2.985  -9.769
  683    HA   VAL  88           HA       VAL  88   0.890   4.218  -7.599
  684    HB   VAL  88           HB       VAL  88   1.410   4.962 -10.450
  685   HG11  VAL  88          1HG1      VAL  88   2.930   5.075  -7.861
  686   HG12  VAL  88          2HG1      VAL  88   2.412   6.412  -8.892
  687   HG13  VAL  88          3HG1      VAL  88   3.705   5.334  -9.425
  688   HG21  VAL  88          3HG2      VAL  88   3.090   3.284 -10.700
  689   HG22  VAL  88          1HG2      VAL  88   1.589   2.469 -10.246
  690   HG23  VAL  88          2HG2      VAL  88   2.858   2.724  -9.044
  691    H    GLY  89           H        GLY  89  -1.203   5.028  -6.965
  692    HA2  GLY  89           1HA      GLY  89  -1.588   7.682  -7.422
  693    HA3  GLY  89           2HA      GLY  89  -2.598   6.896  -8.633
  694    H    ALA  90           H        ALA  90  -4.123   8.253  -7.123
  695    HA   ALA  90           HA       ALA  90  -4.896   7.002  -4.674
  696    HB1  ALA  90           1HB      ALA  90  -5.345   9.385  -5.135
  697    HB2  ALA  90           2HB      ALA  90  -6.819   8.496  -4.746
  698    HB3  ALA  90           3HB      ALA  90  -6.458   8.910  -6.421
  699    H    ASN  91           H        ASN  91  -5.380   4.857  -4.934
  700    HA   ASN  91           HA       ASN  91  -7.439   4.235  -6.933
  701    HB2  ASN  91           1HB      ASN  91  -6.462   1.965  -7.086
  702    HB3  ASN  91           2HB      ASN  91  -5.369   3.231  -7.634
  703   HD21  ASN  91          1HD2      ASN  91  -5.027   0.440  -6.531
  704   HD22  ASN  91          2HD2      ASN  91  -3.854   0.623  -5.279
  705    HA   PRO  92           HA       PRO  92  -9.416   2.620  -3.111
  706    HB2  PRO  92           1HB      PRO  92 -11.781   4.028  -4.054
  707    HB3  PRO  92           2HB      PRO  92 -10.957   4.176  -2.503
  708    HG2  PRO  92           1HG      PRO  92 -10.990   6.145  -4.395
  709    HG3  PRO  92           2HG      PRO  92  -9.696   5.948  -3.200
  710    HD2  PRO  92           1HD      PRO  92  -9.757   5.161  -6.088
  711    HD3  PRO  92           2HD      PRO  92  -8.415   5.818  -5.127
  712    H    ALA  93           H        ALA  93 -10.292   3.157  -6.480
  713    HA   ALA  93           HA       ALA  93 -11.983   0.790  -6.570
  714    HB1  ALA  93           1HB      ALA  93 -12.473   1.424  -8.846
  715    HB2  ALA  93           2HB      ALA  93 -11.214   2.655  -8.807
  716    HB3  ALA  93           3HB      ALA  93 -12.645   2.826  -7.792
  717    H    ALA  94           H        ALA  94  -8.994   1.942  -8.124
  718    HA   ALA  94           HA       ALA  94  -8.509  -0.461  -9.557
  719    HB1  ALA  94           1HB      ALA  94  -6.566   1.738  -8.867
  720    HB2  ALA  94           2HB      ALA  94  -7.595   1.674 -10.294
  721    HB3  ALA  94           3HB      ALA  94  -6.325   0.473 -10.068
  722    H    ILE  95           H        ILE  95  -7.904   0.412  -6.255
  723    HA   ILE  95           HA       ILE  95  -5.918  -1.448  -5.651
  724    HB   ILE  95           HB       ILE  95  -7.031   0.095  -3.969
  725   HG12  ILE  95          1HG1      ILE  95  -6.475  -1.285  -2.120
  726   HG13  ILE  95          2HG1      ILE  95  -6.954  -2.753  -2.968
  727   HG21  ILE  95          1HG2      ILE  95  -8.966  -0.717  -2.753
  728   HG22  ILE  95          2HG2      ILE  95  -9.060  -2.122  -3.821
  729   HG23  ILE  95          3HG2      ILE  95  -9.353  -0.499  -4.461
  730   HD11  ILE  95          3HD1      ILE  95  -4.596  -1.074  -3.785
  731   HD12  ILE  95          1HD1      ILE  95  -5.003  -2.704  -4.310
  732   HD13  ILE  95          2HD1      ILE  95  -4.489  -2.417  -2.649
  733    H    LYS  96           H        LYS  96  -9.334  -1.794  -6.289
  734    HA   LYS  96           HA       LYS  96  -9.638  -4.490  -5.631
  735    HB2  LYS  96           1HB      LYS  96 -11.058  -2.744  -7.614
  736    HB3  LYS  96           2HB      LYS  96 -11.461  -4.447  -7.455
  737    HG2  LYS  96           1HG      LYS  96 -11.576  -2.392  -5.263
  738    HG3  LYS  96           2HG      LYS  96 -12.955  -3.059  -6.137
  739    HD2  LYS  96           1HD      LYS  96 -11.029  -4.631  -4.421
  740    HD3  LYS  96           2HD      LYS  96 -12.655  -4.136  -3.948
  741    HE2  LYS  96           1HE      LYS  96 -11.973  -5.961  -6.253
  742    HE3  LYS  96           2HE      LYS  96 -12.588  -6.474  -4.685
  743    HZ1  LYS  96           3HZ      LYS  96 -14.015  -4.737  -6.621
  744    HZ2  LYS  96           1HZ      LYS  96 -14.602  -5.206  -5.107
  745    HZ3  LYS  96           2HZ      LYS  96 -14.353  -6.362  -6.313
  746    H    GLN  97           H        GLN  97  -8.400  -2.983  -8.535
  747    HA   GLN  97           HA       GLN  97  -8.131  -5.178 -10.207
  748    HB2  GLN  97           1HB      GLN  97  -7.616  -2.859 -10.870
  749    HB3  GLN  97           2HB      GLN  97  -6.240  -2.845  -9.787
  750    HG2  GLN  97           1HG      GLN  97  -6.343  -4.875 -11.969
  751    HG3  GLN  97           2HG      GLN  97  -5.923  -3.211 -12.350
  752   HE21  GLN  97          1HE2      GLN  97  -4.877  -6.164 -10.911
  753   HE22  GLN  97          2HE2      GLN  97  -3.256  -5.669 -10.555
  754    H    ALA  98           H        ALA  98  -5.761  -3.900  -7.883
  755    HA   ALA  98           HA       ALA  98  -4.057  -6.197  -8.194
  756    HB1  ALA  98           1HB      ALA  98  -3.117  -3.973  -7.806
  757    HB2  ALA  98           2HB      ALA  98  -2.631  -5.073  -6.513
  758    HB3  ALA  98           3HB      ALA  98  -3.920  -3.895  -6.239
  759    H    ILE  99           H        ILE  99  -6.557  -5.293  -6.088
  760    HA   ILE  99           HA       ILE  99  -5.740  -6.945  -3.892
  761    HB   ILE  99           HB       ILE  99  -7.289  -4.698  -4.094
  762   HG12  ILE  99          1HG1      ILE  99  -6.019  -5.622  -2.146
  763   HG13  ILE  99          2HG1      ILE  99  -7.577  -4.906  -1.723
  764   HG21  ILE  99          1HG2      ILE  99  -9.508  -5.077  -3.509
  765   HG22  ILE  99          2HG2      ILE  99  -9.234  -6.804  -3.264
  766   HG23  ILE  99          3HG2      ILE  99  -9.196  -6.131  -4.893
  767   HD11  ILE  99          3HD1      ILE  99  -7.437  -7.804  -2.339
  768   HD12  ILE  99          1HD1      ILE  99  -8.528  -6.935  -1.263
  769   HD13  ILE  99          2HD1      ILE  99  -6.859  -7.232  -0.765
  770    H    ALA 100           H        ALA 100  -8.120  -7.127  -6.453
  771    HA   ALA 100           HA       ALA 100  -9.307  -9.497  -5.297
  772    HB1  ALA 100           1HB      ALA 100  -9.938  -8.150  -7.921
  773    HB2  ALA 100           2HB      ALA 100 -10.743  -7.829  -6.385
  774    HB3  ALA 100           3HB      ALA 100 -10.885  -9.416  -7.139
  775    H    ALA 101           H        ALA 101  -7.300  -8.610  -8.060
  776    HA   ALA 101           HA       ALA 101  -7.257 -11.200  -9.220
  777    HB1  ALA 101           1HB      ALA 101  -5.209  -9.005  -9.510
  778    HB2  ALA 101           2HB      ALA 101  -6.698  -9.127 -10.450
  779    HB3  ALA 101           3HB      ALA 101  -5.457 -10.374 -10.595
  780    H    ASN 102           H        ASN 102  -5.125  -9.508  -6.938
  781    HA   ASN 102           HA       ASN 102  -3.381 -11.877  -6.967
  782    HB2  ASN 102           1HB      ASN 102  -2.899  -9.067  -5.997
  783    HB3  ASN 102           2HB      ASN 102  -1.731 -10.379  -5.853
  784   HD21  ASN 102          1HD2      ASN 102  -1.864  -7.814  -7.405
  785   HD22  ASN 102          2HD2      ASN 102  -1.470  -8.267  -9.027
  786    H    ALA 103           H        ALA 103  -4.259  -9.535  -4.432
  787    HA   ALA 103           HA       ALA 103  -3.679 -11.138  -2.258
  788    HB1  ALA 103           1HB      ALA 103  -5.864  -9.068  -2.384
  789    HB2  ALA 103           2HB      ALA 103  -4.152  -8.725  -2.141
  790    HB3  ALA 103           3HB      ALA 103  -5.046  -9.652  -0.934
  Start of MODEL    8
    1    H1   MET   1           1H       MET   1  -8.708  -2.403   8.965
    2    H2   MET   1           2H       MET   1  -8.767  -0.721   9.168
    3    H3   MET   1           3H       MET   1  -9.431  -1.744  10.340
    4    HA   MET   1           HA       MET   1  -7.266  -0.791  10.978
    5    HB2  MET   1           1HB      MET   1  -8.134  -2.900  11.946
    6    HB3  MET   1           2HB      MET   1  -7.341  -3.799  10.663
    7    HG2  MET   1           1HG      MET   1  -6.047  -3.895  12.703
    8    HG3  MET   1           2HG      MET   1  -5.169  -3.018  11.451
    9    HE1  MET   1           3HE      MET   1  -4.038  -1.219  14.744
   10    HE2  MET   1           1HE      MET   1  -3.503  -2.046  13.281
   11    HE3  MET   1           2HE      MET   1  -4.375  -2.937  14.528
   12    H    VAL   2           H        VAL   2  -5.910   0.257   9.598
   13    HA   VAL   2           HA       VAL   2  -4.189  -1.474   7.946
   14    HB   VAL   2           HB       VAL   2  -4.833   1.421   7.376
   15   HG11  VAL   2          1HG1      VAL   2  -3.749   0.920   5.199
   16   HG12  VAL   2          2HG1      VAL   2  -3.290  -0.657   5.838
   17   HG13  VAL   2          3HG1      VAL   2  -2.653   0.811   6.575
   18   HG21  VAL   2          3HG2      VAL   2  -6.812   0.067   6.996
   19   HG22  VAL   2          1HG2      VAL   2  -5.874  -1.062   6.017
   20   HG23  VAL   2          2HG2      VAL   2  -6.127   0.593   5.456
   21    H    THR   3           H        THR   3  -2.320  -1.697   8.929
   22    HA   THR   3           HA       THR   3  -1.371   0.035  10.980
   23    HB   THR   3           HB       THR   3  -0.649  -2.544   9.825
   24    HG1  THR   3           1HG      THR   3  -0.223  -2.978  11.992
   25   HG21  THR   3          3HG2      THR   3   1.614  -0.853  10.895
   26   HG22  THR   3          1HG2      THR   3   1.392  -1.291   9.194
   27   HG23  THR   3          2HG2      THR   3   1.701  -2.546  10.406
   28    H    GLN   4           H        GLN   4   0.432   1.336  11.033
   29    HA   GLN   4           HA       GLN   4   1.477   2.180   8.422
   30    HB2  GLN   4           1HB      GLN   4   2.192   4.255   9.765
   31    HB3  GLN   4           2HB      GLN   4   0.490   4.070   9.376
   32    HG2  GLN   4           1HG      GLN   4   0.393   4.712  11.570
   33    HG3  GLN   4           2HG      GLN   4   0.340   2.955  11.715
   34   HE21  GLN   4          1HE2      GLN   4   3.245   4.814  10.986
   35   HE22  GLN   4          2HE2      GLN   4   4.050   4.479  12.477
   36    H    PHE   5           H        PHE   5   3.590   1.948   7.992
   37    HA   PHE   5           HA       PHE   5   5.309   0.723   9.988
   38    HB2  PHE   5           1HB      PHE   5   5.745   1.384   7.075
   39    HB3  PHE   5           2HB      PHE   5   7.024   0.773   8.110
   40    HD1  PHE   5           1HD      PHE   5   5.299  -1.199   9.681
   41    HD2  PHE   5           2HD      PHE   5   5.665  -0.366   5.524
   42    HE1  PHE   5           1HE      PHE   5   4.650  -3.512   9.165
   43    HE2  PHE   5           2HE      PHE   5   5.012  -2.677   5.000
   44    HZ   PHE   5           HZ       PHE   5   4.504  -4.252   6.824
   45    H    LYS   6           H        LYS   6   7.555   1.567  10.223
   46    HA   LYS   6           HA       LYS   6   7.519   4.498  10.309
   47    HB2  LYS   6           1HB      LYS   6   8.793   4.326  12.442
   48    HB3  LYS   6           2HB      LYS   6   7.148   3.714  12.533
   49    HG2  LYS   6           1HG      LYS   6   8.098   1.417  12.192
   50    HG3  LYS   6           2HG      LYS   6   9.698   2.129  12.392
   51    HD2  LYS   6           1HD      LYS   6   7.475   2.301  14.427
   52    HD3  LYS   6           2HD      LYS   6   8.785   1.124  14.476
   53    HE2  LYS   6           1HE      LYS   6   9.135   4.118  14.551
   54    HE3  LYS   6           2HE      LYS   6   9.177   3.056  15.957
   55    HZ1  LYS   6           3HZ      LYS   6  11.081   1.910  14.940
   56    HZ2  LYS   6           1HZ      LYS   6  11.399   3.545  15.238
   57    HZ3  LYS   6           2HZ      LYS   6  11.066   3.022  13.666
   58    H    THR   7           H        THR   7   9.200   1.717   9.299
   59    HA   THR   7           HA       THR   7  11.386   3.427   8.400
   60    HB   THR   7           HB       THR   7  13.044   1.655   8.769
   61    HG1  THR   7           1HG      THR   7  12.170   0.071  10.497
   62   HG21  THR   7          3HG2      THR   7  12.836   3.428  10.431
   63   HG22  THR   7          1HG2      THR   7  13.262   1.898  11.197
   64   HG23  THR   7          2HG2      THR   7  11.606   2.496  11.284
   65    H    ALA   8           H        ALA   8  12.410   2.777   6.468
   66    HA   ALA   8           HA       ALA   8  10.881   1.437   4.531
   67    HB1  ALA   8           1HB      ALA   8  13.894   1.720   4.601
   68    HB2  ALA   8           2HB      ALA   8  12.784   2.972   4.048
   69    HB3  ALA   8           3HB      ALA   8  12.890   1.440   3.179
   70    H    SER   9           H        SER   9  13.215   0.389   6.906
   71    HA   SER   9           HA       SER   9  13.614  -2.259   6.106
   72    HB2  SER   9           1HB      SER   9  15.009  -1.255   7.814
   73    HB3  SER   9           2HB      SER   9  13.616  -1.026   8.870
   74    HG   SER   9           HG       SER   9  14.317  -3.604   7.959
   75    H    GLU  10           H        GLU  10  11.086  -0.793   8.158
   76    HA   GLU  10           HA       GLU  10   9.830  -3.201   8.916
   77    HB2  GLU  10           1HB      GLU  10   8.694  -0.438   8.481
   78    HB3  GLU  10           2HB      GLU  10   7.751  -1.771   9.132
   79    HG2  GLU  10           1HG      GLU  10  10.232  -0.592  10.355
   80    HG3  GLU  10           2HG      GLU  10   8.575  -0.327  10.897
   81    H    PHE  11           H        PHE  11   9.340  -1.104   6.143
   82    HA   PHE  11           HA       PHE  11   7.324  -2.593   4.872
   83    HB2  PHE  11           1HB      PHE  11   7.490  -0.484   4.001
   84    HB3  PHE  11           2HB      PHE  11   9.241  -0.445   4.127
   85    HD1  PHE  11           2HD      PHE  11   6.395  -1.428   2.045
   86    HD2  PHE  11           1HD      PHE  11  10.630  -1.220   2.340
   87    HE1  PHE  11           2HE      PHE  11   6.572  -1.833  -0.371
   88    HE2  PHE  11           1HE      PHE  11  10.819  -1.625  -0.083
   89    HZ   PHE  11           HZ       PHE  11   8.788  -1.934  -1.439
   90    H    ASP  12           H        ASP  12  10.842  -2.602   4.487
   91    HA   ASP  12           HA       ASP  12  11.009  -4.401   2.362
   92    HB2  ASP  12           1HB      ASP  12  12.883  -3.004   3.039
   93    HB3  ASP  12           2HB      ASP  12  12.996  -3.859   4.573
   94    H    SER  13           H        SER  13  11.105  -5.023   5.855
   95    HA   SER  13           HA       SER  13  11.578  -7.810   5.559
   96    HB2  SER  13           1HB      SER  13  12.160  -6.574   7.619
   97    HB3  SER  13           2HB      SER  13  10.448  -6.300   7.931
   98    HG   SER  13           HG       SER  13  11.955  -8.654   8.131
   99    H    ALA  14           H        ALA  14   8.683  -5.845   5.717
  100    HA   ALA  14           HA       ALA  14   6.880  -8.016   6.101
  101    HB1  ALA  14           1HB      ALA  14   5.146  -6.413   5.331
  102    HB2  ALA  14           2HB      ALA  14   6.431  -5.253   4.985
  103    HB3  ALA  14           3HB      ALA  14   6.152  -5.790   6.642
  104    H    ILE  15           H        ILE  15   7.934  -6.192   3.243
  105    HA   ILE  15           HA       ILE  15   6.260  -7.594   1.454
  106    HB   ILE  15           HB       ILE  15   7.571  -6.578  -0.333
  107   HG12  ILE  15          1HG1      ILE  15   9.327  -5.355   1.780
  108   HG13  ILE  15          2HG1      ILE  15   9.766  -6.850   0.968
  109   HG21  ILE  15          1HG2      ILE  15   7.028  -4.683   1.949
  110   HG22  ILE  15          2HG2      ILE  15   5.837  -5.275   0.792
  111   HG23  ILE  15          3HG2      ILE  15   7.159  -4.243   0.246
  112   HD11  ILE  15          3HD1      ILE  15  10.855  -4.952  -0.061
  113   HD12  ILE  15          1HD1      ILE  15   9.292  -4.186  -0.345
  114   HD13  ILE  15          2HD1      ILE  15   9.705  -5.682  -1.182
  115    H    ALA  16           H        ALA  16   9.320  -8.371   2.866
  116    HA   ALA  16           HA       ALA  16  10.100 -10.239   0.809
  117    HB1  ALA  16           1HB      ALA  16  11.746  -9.059   2.241
  118    HB2  ALA  16           2HB      ALA  16  11.928 -10.814   2.267
  119    HB3  ALA  16           3HB      ALA  16  11.153  -9.988   3.619
  120    H    GLN  17           H        GLN  17   7.811 -10.303   3.200
  121    HA   GLN  17           HA       GLN  17   8.137 -12.997   4.100
  122    HB2  GLN  17           1HB      GLN  17   5.782 -11.111   4.292
  123    HB3  GLN  17           2HB      GLN  17   5.873 -12.673   5.090
  124    HG2  GLN  17           1HG      GLN  17   7.724 -11.928   6.429
  125    HG3  GLN  17           2HG      GLN  17   7.778 -10.396   5.562
  126   HE21  GLN  17          1HE2      GLN  17   4.797 -11.969   6.451
  127   HE22  GLN  17          2HE2      GLN  17   4.314 -10.813   7.640
  128    H    ASP  18           H        ASP  18   6.603 -14.709   3.724
  129    HA   ASP  18           HA       ASP  18   5.782 -14.938   0.967
  130    HB2  ASP  18           1HB      ASP  18   5.526 -16.772   3.346
  131    HB3  ASP  18           2HB      ASP  18   4.924 -17.192   1.747
  132    H    LYS  19           H        LYS  19   4.511 -12.877   2.366
  133    HA   LYS  19           HA       LYS  19   1.703 -13.751   2.354
  134    HB2  LYS  19           1HB      LYS  19   3.042 -11.773   4.189
  135    HB3  LYS  19           2HB      LYS  19   1.303 -11.949   4.025
  136    HG2  LYS  19           1HG      LYS  19   3.067 -14.236   4.781
  137    HG3  LYS  19           2HG      LYS  19   2.398 -13.129   5.979
  138    HD2  LYS  19           1HD      LYS  19   0.808 -14.790   4.019
  139    HD3  LYS  19           2HD      LYS  19   1.025 -15.152   5.732
  140    HE2  LYS  19           1HE      LYS  19  -0.066 -13.003   6.286
  141    HE3  LYS  19           2HE      LYS  19  -0.348 -12.728   4.570
  142    HZ1  LYS  19           3HZ      LYS  19  -2.299 -13.632   5.666
  143    HZ2  LYS  19           1HZ      LYS  19  -1.425 -14.999   6.146
  144    HZ3  LYS  19           2HZ      LYS  19  -1.709 -14.711   4.506
  145    H    LEU  20           H        LEU  20   0.187 -12.116   1.762
  146    HA   LEU  20           HA       LEU  20   1.107 -10.332  -0.298
  147    HB2  LEU  20           1HB      LEU  20  -1.113 -11.574  -0.249
  148    HB3  LEU  20           2HB      LEU  20  -1.619 -10.460   0.996
  149    HG   LEU  20           HG       LEU  20  -2.559  -9.841  -1.142
  150   HD11  LEU  20          1HD1      LEU  20  -1.819  -7.516  -1.320
  151   HD12  LEU  20          2HD1      LEU  20  -0.456  -7.884  -0.258
  152   HD13  LEU  20          3HD1      LEU  20  -2.110  -8.014   0.346
  153   HD21  LEU  20          3HD2      LEU  20   0.238  -9.450  -2.152
  154   HD22  LEU  20          1HD2      LEU  20  -1.269  -9.211  -3.037
  155   HD23  LEU  20          2HD2      LEU  20  -0.785 -10.835  -2.542
  156    H    VAL  21           H        VAL  21   2.271  -8.609   0.418
  157    HA   VAL  21           HA       VAL  21   1.118  -7.068   2.643
  158    HB   VAL  21           HB       VAL  21   3.971  -7.172   1.632
  159   HG11  VAL  21          1HG1      VAL  21   4.522  -5.484   3.283
  160   HG12  VAL  21          2HG1      VAL  21   2.831  -5.378   3.772
  161   HG13  VAL  21          3HG1      VAL  21   3.313  -4.849   2.158
  162   HG21  VAL  21          3HG2      VAL  21   4.442  -7.920   3.921
  163   HG22  VAL  21          1HG2      VAL  21   3.309  -8.999   3.106
  164   HG23  VAL  21          2HG2      VAL  21   2.721  -7.841   4.299
  165    H    VAL  22           H        VAL  22  -0.193  -5.567   1.827
  166    HA   VAL  22           HA       VAL  22   0.753  -4.014  -0.449
  167    HB   VAL  22           HB       VAL  22  -1.338  -4.439  -1.115
  168   HG11  VAL  22          1HG1      VAL  22  -1.922  -5.959   0.605
  169   HG12  VAL  22          2HG1      VAL  22  -3.268  -4.843   0.371
  170   HG13  VAL  22          3HG1      VAL  22  -2.187  -4.644   1.752
  171   HG21  VAL  22          3HG2      VAL  22  -1.925  -2.185   0.787
  172   HG22  VAL  22          1HG2      VAL  22  -2.936  -2.674  -0.573
  173   HG23  VAL  22          2HG2      VAL  22  -1.318  -2.035  -0.863
  174    H    VAL  23           H        VAL  23   1.972  -2.425   0.059
  175    HA   VAL  23           HA       VAL  23   1.409  -0.803   2.440
  176    HB   VAL  23           HB       VAL  23   3.878  -0.973   0.701
  177   HG11  VAL  23          1HG1      VAL  23   3.594   1.266   1.647
  178   HG12  VAL  23          2HG1      VAL  23   4.967   0.420   2.363
  179   HG13  VAL  23          3HG1      VAL  23   3.451   0.558   3.256
  180   HG21  VAL  23          3HG2      VAL  23   3.718  -2.951   1.967
  181   HG22  VAL  23          1HG2      VAL  23   3.179  -2.081   3.403
  182   HG23  VAL  23          2HG2      VAL  23   4.839  -1.916   2.849
  183    H    ALA  24           H        ALA  24   1.091   1.412   2.309
  184    HA   ALA  24           HA       ALA  24   0.733   2.567  -0.381
  185    HB1  ALA  24           1HB      ALA  24  -1.445   2.137   0.262
  186    HB2  ALA  24           2HB      ALA  24  -1.216   3.814   0.754
  187    HB3  ALA  24           3HB      ALA  24  -1.126   2.521   1.948
  188    H    PHE  25           H        PHE  25   2.111   4.075  -0.696
  189    HA   PHE  25           HA       PHE  25   3.233   5.675   1.406
  190    HB2  PHE  25           1HB      PHE  25   3.358   5.880  -1.604
  191    HB3  PHE  25           2HB      PHE  25   4.285   6.907  -0.511
  192    HD1  PHE  25           1HD      PHE  25   5.521   5.377   1.392
  193    HD2  PHE  25           2HD      PHE  25   4.554   4.192  -2.576
  194    HE1  PHE  25           1HE      PHE  25   7.290   3.670   1.471
  195    HE2  PHE  25           2HE      PHE  25   6.332   2.487  -2.506
  196    HZ   PHE  25           HZ       PHE  25   7.692   2.223  -0.480
  197    H    TYR  26           H        TYR  26   2.019   7.164   2.402
  198    HA   TYR  26           HA       TYR  26   0.160   8.788   0.805
  199    HB2  TYR  26           1HB      TYR  26  -0.453   7.021   3.127
  200    HB3  TYR  26           2HB      TYR  26  -1.323   8.548   2.996
  201    HD1  TYR  26           1HD      TYR  26  -0.285   5.812   0.677
  202    HD2  TYR  26           2HD      TYR  26  -3.380   8.381   2.019
  203    HE1  TYR  26           1HE      TYR  26  -1.810   4.816  -0.962
  204    HE2  TYR  26           2HE      TYR  26  -4.923   7.390   0.391
  205    HH   TYR  26           HH       TYR  26  -4.167   4.544  -1.368
  206    H    ALA  27           H        ALA  27  -0.844  10.526   2.273
  207    HA   ALA  27           HA       ALA  27   0.880  11.498   4.386
  208    HB1  ALA  27           1HB      ALA  27   1.974  12.388   2.392
  209    HB2  ALA  27           2HB      ALA  27   1.227  13.685   3.327
  210    HB3  ALA  27           3HB      ALA  27   0.448  13.093   1.859
  211    H    THR  28           H        THR  28  -0.107  13.444   5.412
  212    HA   THR  28           HA       THR  28  -2.977  13.131   5.515
  213    HB   THR  28           HB       THR  28  -2.690  14.954   7.336
  214    HG1  THR  28           1HG      THR  28  -0.700  15.546   7.780
  215   HG21  THR  28          3HG2      THR  28  -1.425  12.231   7.670
  216   HG22  THR  28          1HG2      THR  28  -3.146  12.590   7.799
  217   HG23  THR  28          2HG2      THR  28  -2.015  13.263   8.971
  218    H    TRP  29           H        TRP  29  -0.923  15.000   3.678
  219    HA   TRP  29           HA       TRP  29  -2.748  17.296   3.650
  220    HB2  TRP  29           1HB      TRP  29  -0.812  18.512   2.590
  221    HB3  TRP  29           2HB      TRP  29  -0.566  18.005   4.257
  222    HD1  TRP  29           HD       TRP  29   0.224  16.598   0.740
  223    HE1  TRP  29           1HE      TRP  29   2.550  15.487   0.824
  224    HE3  TRP  29           3HE      TRP  29   1.259  17.316   5.683
  225    HZ2  TRP  29           2HZ      TRP  29   4.559  14.992   2.754
  226    HZ3  TRP  29           3HZ      TRP  29   3.400  16.500   6.574
  227    HH2  TRP  29           HH       TRP  29   5.014  15.365   5.140
  228    H    CYS  30           H        CYS  30  -3.150  14.782   2.145
  229    HA   CYS  30           HA       CYS  30  -3.283  16.010  -0.520
  230    HB2  CYS  30           1HB      CYS  30  -3.061  13.506  -1.307
  231    HB3  CYS  30           2HB      CYS  30  -1.632  14.475  -0.966
  232    H    GLY  31           H        GLY  31  -5.179  16.058  -1.396
  233    HA2  GLY  31           1HA      GLY  31  -7.533  15.295  -0.100
  234    HA3  GLY  31           2HA      GLY  31  -7.407  15.775  -1.781
  235    HA   PRO  32           HA       PRO  32  -7.822  11.587  -3.280
  236    HB2  PRO  32           1HB      PRO  32  -4.937  10.891  -3.400
  237    HB3  PRO  32           2HB      PRO  32  -6.167  10.810  -4.666
  238    HG2  PRO  32           1HG      PRO  32  -4.312  12.714  -4.701
  239    HG3  PRO  32           2HG      PRO  32  -5.986  13.065  -5.170
  240    HD2  PRO  32           1HD      PRO  32  -4.570  13.674  -2.604
  241    HD3  PRO  32           2HD      PRO  32  -5.713  14.673  -3.516
  242    H    CYS  33           H        CYS  33  -5.158  11.809  -0.998
  243    HA   CYS  33           HA       CYS  33  -5.255   9.243   0.106
  244    HB2  CYS  33           1HB      CYS  33  -4.512  11.814   1.505
  245    HB3  CYS  33           2HB      CYS  33  -3.982  10.190   1.928
  246    H    LYS  34           H        LYS  34  -7.150  12.106   0.776
  247    HA   LYS  34           HA       LYS  34  -8.324  11.210   3.175
  248    HB2  LYS  34           1HB      LYS  34  -9.505  13.063   1.095
  249    HB3  LYS  34           2HB      LYS  34 -10.025  12.916   2.768
  250    HG2  LYS  34           1HG      LYS  34  -7.920  13.802   3.547
  251    HG3  LYS  34           2HG      LYS  34  -7.293  13.837   1.898
  252    HD2  LYS  34           1HD      LYS  34  -7.966  16.055   2.453
  253    HD3  LYS  34           2HD      LYS  34  -9.152  15.412   1.319
  254    HE2  LYS  34           1HE      LYS  34 -10.301  16.588   3.071
  255    HE3  LYS  34           2HE      LYS  34 -10.621  14.862   3.235
  256    HZ1  LYS  34           3HZ      LYS  34  -9.001  14.737   4.991
  257    HZ2  LYS  34           1HZ      LYS  34 -10.126  15.942   5.363
  258    HZ3  LYS  34           2HZ      LYS  34  -8.591  16.364   4.794
  259    H    MET  35           H        MET  35  -9.547  11.121  -0.186
  260    HA   MET  35           HA       MET  35 -11.993   9.913   0.482
  261    HB2  MET  35           1HB      MET  35 -12.243   9.420  -1.895
  262    HB3  MET  35           2HB      MET  35 -11.717  11.069  -1.619
  263    HG2  MET  35           1HG      MET  35  -9.447  10.440  -2.226
  264    HG3  MET  35           2HG      MET  35  -9.977   8.776  -2.467
  265    HE1  MET  35           3HE      MET  35  -9.029   8.668  -4.923
  266    HE2  MET  35           1HE      MET  35  -8.382  10.291  -4.697
  267    HE3  MET  35           2HE      MET  35  -9.323   9.912  -6.138
  268    H    ILE  36           H        ILE  36  -8.969   8.365  -0.598
  269    HA   ILE  36           HA       ILE  36 -10.215   5.797  -0.651
  270    HB   ILE  36           HB       ILE  36  -8.438   5.617  -2.039
  271   HG12  ILE  36          1HG1      ILE  36  -8.142   4.025  -0.022
  272   HG13  ILE  36          2HG1      ILE  36  -6.836   4.175  -1.180
  273   HG21  ILE  36          1HG2      ILE  36  -7.619   7.848  -1.770
  274   HG22  ILE  36          2HG2      ILE  36  -6.265   6.717  -1.756
  275   HG23  ILE  36          3HG2      ILE  36  -6.848   7.419  -0.245
  276   HD11  ILE  36          3HD1      ILE  36  -6.915   5.749   1.380
  277   HD12  ILE  36          1HD1      ILE  36  -5.541   5.475   0.308
  278   HD13  ILE  36          2HD1      ILE  36  -6.190   4.142   1.266
  279    H    ALA  37           H        ALA  37  -8.785   7.777   1.752
  280    HA   ALA  37           HA       ALA  37  -7.721   5.892   3.460
  281    HB1  ALA  37           1HB      ALA  37  -9.061   8.448   4.301
  282    HB2  ALA  37           2HB      ALA  37  -7.426   8.328   3.630
  283    HB3  ALA  37           3HB      ALA  37  -7.814   7.551   5.175
  284    HA   PRO  38           HA       PRO  38 -12.030   5.110   5.456
  285    HB2  PRO  38           1HB      PRO  38 -14.213   5.880   4.007
  286    HB3  PRO  38           2HB      PRO  38 -13.545   6.815   5.349
  287    HG2  PRO  38           1HG      PRO  38 -13.155   7.173   2.409
  288    HG3  PRO  38           2HG      PRO  38 -13.412   8.401   3.663
  289    HD2  PRO  38           1HD      PRO  38 -10.971   7.880   2.662
  290    HD3  PRO  38           2HD      PRO  38 -11.214   8.336   4.359
  291    H    MET  39           H        MET  39 -11.726   5.242   1.893
  292    HA   MET  39           HA       MET  39 -13.315   2.941   1.428
  293    HB2  MET  39           1HB      MET  39 -11.151   4.195  -0.240
  294    HB3  MET  39           2HB      MET  39 -12.100   2.822  -0.782
  295    HG2  MET  39           1HG      MET  39 -13.154   5.543  -0.052
  296    HG3  MET  39           2HG      MET  39 -12.993   4.880  -1.678
  297    HE1  MET  39           3HE      MET  39 -15.576   5.512  -2.112
  298    HE2  MET  39           1HE      MET  39 -15.679   6.140  -0.469
  299    HE3  MET  39           2HE      MET  39 -16.885   4.992  -1.051
  300    H    ILE  40           H        ILE  40  -9.688   3.097   1.394
  301    HA   ILE  40           HA       ILE  40  -9.493   0.279   1.357
  302    HB   ILE  40           HB       ILE  40  -7.502   2.474   1.876
  303   HG12  ILE  40          1HG1      ILE  40  -7.672   0.220  -0.139
  304   HG13  ILE  40          2HG1      ILE  40  -8.373   1.814  -0.388
  305   HG21  ILE  40          1HG2      ILE  40  -6.907  -0.474   2.099
  306   HG22  ILE  40          2HG2      ILE  40  -6.882   0.685   3.428
  307   HG23  ILE  40          3HG2      ILE  40  -5.727   0.839   2.103
  308   HD11  ILE  40          3HD1      ILE  40  -6.018   2.690  -0.012
  309   HD12  ILE  40          1HD1      ILE  40  -6.385   1.883  -1.537
  310   HD13  ILE  40          2HD1      ILE  40  -5.501   1.022  -0.267
  311    H    GLU  41           H        GLU  41  -9.931   2.532   3.972
  312    HA   GLU  41           HA       GLU  41  -9.451   0.820   6.133
  313    HB2  GLU  41           1HB      GLU  41 -10.038   3.200   6.385
  314    HB3  GLU  41           2HB      GLU  41 -11.659   2.862   5.793
  315    HG2  GLU  41           1HG      GLU  41 -11.644   3.098   8.201
  316    HG3  GLU  41           2HG      GLU  41 -12.085   1.457   7.733
  317    H    LYS  42           H        LYS  42 -12.366   1.224   4.113
  318    HA   LYS  42           HA       LYS  42 -13.900  -0.745   5.415
  319    HB2  LYS  42           1HB      LYS  42 -14.928   0.890   3.947
  320    HB3  LYS  42           2HB      LYS  42 -14.006   0.285   2.576
  321    HG2  LYS  42           1HG      LYS  42 -15.210  -1.970   3.197
  322    HG3  LYS  42           2HG      LYS  42 -16.381  -0.871   3.928
  323    HD2  LYS  42           1HD      LYS  42 -15.402  -0.697   1.091
  324    HD3  LYS  42           2HD      LYS  42 -16.907  -1.476   1.577
  325    HE2  LYS  42           1HE      LYS  42 -17.653   0.687   2.546
  326    HE3  LYS  42           2HE      LYS  42 -16.188   1.436   1.913
  327    HZ1  LYS  42           3HZ      LYS  42 -18.317   0.138   0.302
  328    HZ2  LYS  42           1HZ      LYS  42 -16.905   0.824  -0.323
  329    HZ3  LYS  42           2HZ      LYS  42 -18.055   1.801   0.439
  330    H    PHE  43           H        PHE  43 -11.871  -0.897   2.528
  331    HA   PHE  43           HA       PHE  43 -12.365  -3.590   1.970
  332    HB2  PHE  43           1HB      PHE  43 -10.022  -1.871   1.167
  333    HB3  PHE  43           2HB      PHE  43 -10.374  -3.468   0.518
  334    HD1  PHE  43           2HD      PHE  43 -13.508  -2.238   0.992
  335    HD2  PHE  43           1HD      PHE  43 -10.090  -1.538  -1.457
  336    HE1  PHE  43           2HE      PHE  43 -14.941  -1.203  -0.722
  337    HE2  PHE  43           1HE      PHE  43 -11.523  -0.492  -3.157
  338    HZ   PHE  43           HZ       PHE  43 -13.950  -0.326  -2.794
  339    H    SER  44           H        SER  44 -10.492  -2.124   4.391
  340    HA   SER  44           HA       SER  44  -8.713  -4.393   4.727
  341    HB2  SER  44           1HB      SER  44  -7.581  -3.142   6.398
  342    HB3  SER  44           2HB      SER  44  -8.007  -1.972   5.151
  343    HG   SER  44           HG       SER  44  -9.814  -1.383   6.463
  344    H    GLU  45           H        GLU  45 -11.780  -3.310   5.760
  345    HA   GLU  45           HA       GLU  45 -11.915  -5.193   7.945
  346    HB2  GLU  45           1HB      GLU  45 -13.389  -3.148   7.754
  347    HB3  GLU  45           2HB      GLU  45 -14.218  -3.948   6.426
  348    HG2  GLU  45           1HG      GLU  45 -14.906  -5.744   7.908
  349    HG3  GLU  45           2HG      GLU  45 -14.032  -4.994   9.242
  350    H    GLN  46           H        GLN  46 -12.208  -5.182   4.529
  351    HA   GLN  46           HA       GLN  46 -13.140  -7.971   4.593
  352    HB2  GLN  46           1HB      GLN  46 -13.779  -7.276   2.091
  353    HB3  GLN  46           2HB      GLN  46 -14.880  -7.107   3.451
  354    HG2  GLN  46           1HG      GLN  46 -14.752  -4.846   3.450
  355    HG3  GLN  46           2HG      GLN  46 -13.085  -4.816   2.875
  356   HE21  GLN  46          1HE2      GLN  46 -15.553  -3.416   2.006
  357   HE22  GLN  46          2HE2      GLN  46 -15.697  -3.744   0.316
  358    H    TYR  47           H        TYR  47 -10.321  -7.054   4.619
  359    HA   TYR  47           HA       TYR  47  -9.492  -8.325   2.113
  360    HB2  TYR  47           1HB      TYR  47  -7.299  -7.455   2.371
  361    HB3  TYR  47           2HB      TYR  47  -8.424  -6.148   2.709
  362    HD1  TYR  47           2HD      TYR  47  -9.013  -7.265   5.604
  363    HD2  TYR  47           1HD      TYR  47  -5.458  -6.324   3.482
  364    HE1  TYR  47           2HE      TYR  47  -7.846  -6.879   7.738
  365    HE2  TYR  47           1HE      TYR  47  -4.302  -5.967   5.584
  366    HH   TYR  47           HH       TYR  47  -5.590  -6.855   8.622
  367    HA   PRO  48           HA       PRO  48  -9.339 -11.874   5.011
  368    HB2  PRO  48           1HB      PRO  48  -9.466 -13.404   2.494
  369    HB3  PRO  48           2HB      PRO  48 -10.485 -13.512   3.931
  370    HG2  PRO  48           1HG      PRO  48 -11.389 -12.433   1.656
  371    HG3  PRO  48           2HG      PRO  48 -11.868 -11.797   3.239
  372    HD2  PRO  48           1HD      PRO  48  -9.860 -10.725   1.299
  373    HD3  PRO  48           2HD      PRO  48 -11.041  -9.852   2.294
  374    H    GLN  49           H        GLN  49  -7.585 -11.805   1.874
  375    HA   GLN  49           HA       GLN  49  -5.504 -13.420   3.137
  376    HB2  GLN  49           1HB      GLN  49  -6.770 -14.131   1.031
  377    HB3  GLN  49           2HB      GLN  49  -5.725 -12.994   0.193
  378    HG2  GLN  49           1HG      GLN  49  -3.793 -14.217   1.279
  379    HG3  GLN  49           2HG      GLN  49  -4.976 -15.442   1.729
  380   HE21  GLN  49          1HE2      GLN  49  -3.193 -13.989  -0.835
  381   HE22  GLN  49          2HE2      GLN  49  -3.578 -15.155  -2.049
  382    H    ALA  50           H        ALA  50  -5.683 -10.424   3.346
  383    HA   ALA  50           HA       ALA  50  -3.128  -9.810   2.042
  384    HB1  ALA  50           1HB      ALA  50  -4.950  -8.786   0.763
  385    HB2  ALA  50           2HB      ALA  50  -3.904  -7.578   1.505
  386    HB3  ALA  50           3HB      ALA  50  -5.475  -7.937   2.213
  387    H    ASP  51           H        ASP  51  -1.834  -8.300   3.041
  388    HA   ASP  51           HA       ASP  51  -2.619  -7.442   5.744
  389    HB2  ASP  51           1HB      ASP  51  -0.040  -8.323   4.589
  390    HB3  ASP  51           2HB      ASP  51   0.045  -6.933   5.667
  391    H    PHE  52           H        PHE  52  -3.013  -5.332   5.992
  392    HA   PHE  52           HA       PHE  52  -2.532  -3.619   3.663
  393    HB2  PHE  52           1HB      PHE  52  -4.802  -4.021   5.396
  394    HB3  PHE  52           2HB      PHE  52  -4.309  -2.337   5.422
  395    HD1  PHE  52           1HD      PHE  52  -3.313  -2.270   2.501
  396    HD2  PHE  52           2HD      PHE  52  -6.855  -3.722   4.342
  397    HE1  PHE  52           1HE      PHE  52  -4.558  -1.878   0.413
  398    HE2  PHE  52           2HE      PHE  52  -8.107  -3.336   2.276
  399    HZ   PHE  52           HZ       PHE  52  -6.959  -2.416   0.295
  400    H    TYR  53           H        TYR  53  -0.866  -2.218   3.924
  401    HA   TYR  53           HA       TYR  53  -0.669  -0.903   6.550
  402    HB2  TYR  53           1HB      TYR  53   1.729  -1.563   4.830
  403    HB3  TYR  53           2HB      TYR  53   1.722  -0.924   6.480
  404    HD1  TYR  53           2HD      TYR  53   0.176  -2.528   8.092
  405    HD2  TYR  53           1HD      TYR  53   2.409  -3.768   4.702
  406    HE1  TYR  53           2HE      TYR  53   0.297  -4.799   9.019
  407    HE2  TYR  53           1HE      TYR  53   2.534  -6.052   5.617
  408    HH   TYR  53           HH       TYR  53   0.593  -7.184   8.026
  409    H    LYS  54           H        LYS  54  -0.440   1.263   6.525
  410    HA   LYS  54           HA       LYS  54  -0.237   2.579   3.875
  411    HB2  LYS  54           1HB      LYS  54  -2.403   2.651   5.685
  412    HB3  LYS  54           2HB      LYS  54  -1.589   4.191   5.877
  413    HG2  LYS  54           1HG      LYS  54  -2.692   4.941   4.111
  414    HG3  LYS  54           2HG      LYS  54  -1.819   3.788   3.109
  415    HD2  LYS  54           1HD      LYS  54  -4.243   3.532   2.784
  416    HD3  LYS  54           2HD      LYS  54  -3.555   2.100   3.553
  417    HE2  LYS  54           1HE      LYS  54  -5.718   2.887   4.536
  418    HE3  LYS  54           2HE      LYS  54  -4.397   2.726   5.686
  419    HZ1  LYS  54           3HZ      LYS  54  -4.055   5.130   5.535
  420    HZ2  LYS  54           1HZ      LYS  54  -5.607   4.749   6.079
  421    HZ3  LYS  54           2HZ      LYS  54  -5.371   5.257   4.485
  422    H    LEU  55           H        LEU  55   1.600   3.802   3.747
  423    HA   LEU  55           HA       LEU  55   2.886   4.465   6.314
  424    HB2  LEU  55           1HB      LEU  55   4.137   4.678   3.609
  425    HB3  LEU  55           2HB      LEU  55   4.923   4.695   5.172
  426    HG   LEU  55           HG       LEU  55   3.818   2.394   3.662
  427   HD11  LEU  55          1HD1      LEU  55   5.931   1.448   4.156
  428   HD12  LEU  55          2HD1      LEU  55   6.257   2.703   5.352
  429   HD13  LEU  55          3HD1      LEU  55   6.205   3.114   3.638
  430   HD21  LEU  55          3HD2      LEU  55   4.190   2.491   6.638
  431   HD22  LEU  55          1HD2      LEU  55   3.987   1.014   5.699
  432   HD23  LEU  55          2HD2      LEU  55   2.683   2.197   5.777
  433    H    ASP  56           H        ASP  56   3.923   6.541   6.594
  434    HA   ASP  56           HA       ASP  56   2.640   8.666   5.071
  435    HB2  ASP  56           1HB      ASP  56   3.437  10.197   6.743
  436    HB3  ASP  56           2HB      ASP  56   2.659   8.858   7.562
  437    H    VAL  57           H        VAL  57   3.624   9.338   3.350
  438    HA   VAL  57           HA       VAL  57   6.137   8.395   2.540
  439    HB   VAL  57           HB       VAL  57   4.019   9.320   1.260
  440   HG11  VAL  57          1HG1      VAL  57   5.799  11.753   1.280
  441   HG12  VAL  57          2HG1      VAL  57   4.226  11.619   2.067
  442   HG13  VAL  57          3HG1      VAL  57   4.345  11.531   0.307
  443   HG21  VAL  57          3HG2      VAL  57   6.838   9.576   0.265
  444   HG22  VAL  57          1HG2      VAL  57   5.398   9.527  -0.752
  445   HG23  VAL  57          2HG2      VAL  57   5.823   8.133   0.242
  446    H    ASP  58           H        ASP  58   5.347  10.890   4.640
  447    HA   ASP  58           HA       ASP  58   7.365  12.783   3.985
  448    HB2  ASP  58           1HB      ASP  58   5.379  13.441   5.210
  449    HB3  ASP  58           2HB      ASP  58   5.777  12.331   6.516
  450    H    GLU  59           H        GLU  59   7.077  10.351   6.599
  451    HA   GLU  59           HA       GLU  59   9.929  10.566   7.119
  452    HB2  GLU  59           1HB      GLU  59   7.730   8.905   8.332
  453    HB3  GLU  59           2HB      GLU  59   9.422   8.674   8.752
  454    HG2  GLU  59           1HG      GLU  59   7.975  11.294   9.025
  455    HG3  GLU  59           2HG      GLU  59   8.131  10.114  10.325
  456    H    LEU  60           H        LEU  60   7.740   8.579   5.326
  457    HA   LEU  60           HA       LEU  60   9.846   6.617   4.833
  458    HB2  LEU  60           1HB      LEU  60   6.880   6.553   4.327
  459    HB3  LEU  60           2HB      LEU  60   7.975   5.400   3.583
  460    HG   LEU  60           HG       LEU  60   7.032   4.356   5.498
  461   HD11  LEU  60          1HD1      LEU  60   9.424   3.939   5.140
  462   HD12  LEU  60          2HD1      LEU  60   8.970   3.828   6.842
  463   HD13  LEU  60          3HD1      LEU  60   9.803   5.262   6.247
  464   HD21  LEU  60          3HD2      LEU  60   6.253   6.326   6.686
  465   HD22  LEU  60          1HD2      LEU  60   7.916   6.738   7.112
  466   HD23  LEU  60          2HD2      LEU  60   7.179   5.269   7.755
  467    H    GLY  61           H        GLY  61  10.379   9.049   3.735
  468    HA2  GLY  61           1HA      GLY  61   9.564   9.129   0.973
  469    HA3  GLY  61           2HA      GLY  61  10.787  10.137   1.732
  470    H    ASP  62           H        ASP  62  12.360   7.985   2.772
  471    HA   ASP  62           HA       ASP  62  14.044   7.561   0.543
  472    HB2  ASP  62           1HB      ASP  62  14.912   7.672   2.830
  473    HB3  ASP  62           2HB      ASP  62  14.056   6.191   3.236
  474    H    VAL  63           H        VAL  63  11.794   5.443   2.266
  475    HA   VAL  63           HA       VAL  63  12.324   3.153   0.684
  476    HB   VAL  63           HB       VAL  63  11.254   2.802   2.800
  477   HG11  VAL  63          1HG1      VAL  63   9.012   4.504   1.798
  478   HG12  VAL  63          2HG1      VAL  63  10.144   4.885   3.097
  479   HG13  VAL  63          3HG1      VAL  63   9.003   3.554   3.285
  480   HG21  VAL  63          3HG2      VAL  63   9.263   1.510   2.157
  481   HG22  VAL  63          1HG2      VAL  63  10.644   1.204   1.102
  482   HG23  VAL  63          2HG2      VAL  63   9.335   2.256   0.560
  483    H    ALA  64           H        ALA  64   9.958   5.775   0.412
  484    HA   ALA  64           HA       ALA  64   8.557   4.811  -1.805
  485    HB1  ALA  64           1HB      ALA  64   7.845   6.755  -0.490
  486    HB2  ALA  64           2HB      ALA  64   7.910   7.117  -2.216
  487    HB3  ALA  64           3HB      ALA  64   9.193   7.685  -1.147
  488    H    GLN  65           H        GLN  65  11.415   6.926  -1.681
  489    HA   GLN  65           HA       GLN  65  11.833   7.133  -4.445
  490    HB2  GLN  65           1HB      GLN  65  13.752   7.285  -2.123
  491    HB3  GLN  65           2HB      GLN  65  14.221   7.635  -3.781
  492    HG2  GLN  65           1HG      GLN  65  12.045   9.080  -2.284
  493    HG3  GLN  65           2HG      GLN  65  13.712   9.642  -2.425
  494   HE21  GLN  65          1HE2      GLN  65  14.468  10.370  -4.416
  495   HE22  GLN  65          2HE2      GLN  65  13.397  10.801  -5.703
  496    H    LYS  66           H        LYS  66  12.709   4.627  -2.168
  497    HA   LYS  66           HA       LYS  66  14.597   3.336  -3.818
  498    HB2  LYS  66           1HB      LYS  66  15.052   2.317  -1.892
  499    HB3  LYS  66           2HB      LYS  66  13.657   3.103  -1.167
  500    HG2  LYS  66           1HG      LYS  66  12.279   1.240  -2.087
  501    HG3  LYS  66           2HG      LYS  66  13.781   0.409  -2.480
  502    HD2  LYS  66           1HD      LYS  66  12.859   1.265   0.266
  503    HD3  LYS  66           2HD      LYS  66  12.927  -0.385  -0.349
  504    HE2  LYS  66           1HE      LYS  66  15.299   1.436   0.040
  505    HE3  LYS  66           2HE      LYS  66  14.812   0.151   1.141
  506    HZ1  LYS  66           3HZ      LYS  66  15.145  -1.431  -0.703
  507    HZ2  LYS  66           1HZ      LYS  66  16.565  -0.630  -0.259
  508    HZ3  LYS  66           2HZ      LYS  66  15.738  -0.172  -1.660
  509    H    ASN  67           H        ASN  67  11.145   3.201  -3.522
  510    HA   ASN  67           HA       ASN  67  11.001   0.854  -5.259
  511    HB2  ASN  67           1HB      ASN  67   8.924   2.401  -3.715
  512    HB3  ASN  67           2HB      ASN  67   8.484   1.197  -4.921
  513   HD21  ASN  67          1HD2      ASN  67   9.918   1.748  -1.805
  514   HD22  ASN  67          2HD2      ASN  67   9.880   0.096  -1.287
  515    H    GLU  68           H        GLU  68  11.721   3.830  -5.858
  516    HA   GLU  68           HA       GLU  68  11.536   5.294  -7.570
  517    HB2  GLU  68           1HB      GLU  68  10.305   2.934  -8.999
  518    HB3  GLU  68           2HB      GLU  68  10.821   4.424  -9.776
  519    HG2  GLU  68           1HG      GLU  68  13.126   3.966  -8.921
  520    HG3  GLU  68           2HG      GLU  68  12.543   2.388  -8.393
  521    H    VAL  69           H        VAL  69   9.570   5.420  -5.640
  522    HA   VAL  69           HA       VAL  69   7.087   5.951  -7.101
  523    HB   VAL  69           HB       VAL  69   7.647   5.896  -4.130
  524   HG11  VAL  69          1HG1      VAL  69   5.236   6.054  -3.838
  525   HG12  VAL  69          2HG1      VAL  69   5.022   6.191  -5.583
  526   HG13  VAL  69          3HG1      VAL  69   5.856   7.464  -4.694
  527   HG21  VAL  69          3HG2      VAL  69   6.205   3.944  -5.919
  528   HG22  VAL  69          1HG2      VAL  69   6.289   3.845  -4.161
  529   HG23  VAL  69          2HG2      VAL  69   7.758   3.691  -5.124
  530    H    SER  70           H        SER  70   7.017   7.935  -7.960
  531    HA   SER  70           HA       SER  70   8.054  10.168  -6.354
  532    HB2  SER  70           1HB      SER  70   8.030  11.405  -8.579
  533    HB3  SER  70           2HB      SER  70   9.210  10.103  -8.431
  534    HG   SER  70           HG       SER  70   8.100   8.898  -9.814
  535    H    ALA  71           H        ALA  71   5.253   8.729  -7.658
  536    HA   ALA  71           HA       ALA  71   3.667  11.173  -7.386
  537    HB1  ALA  71           1HB      ALA  71   3.311   9.855  -9.408
  538    HB2  ALA  71           2HB      ALA  71   1.854   9.871  -8.412
  539    HB3  ALA  71           3HB      ALA  71   2.894   8.447  -8.429
  540    H    MET  72           H        MET  72   1.524  10.939  -6.287
  541    HA   MET  72           HA       MET  72   1.337   8.796  -4.318
  542    HB2  MET  72           1HB      MET  72   0.897  10.328  -2.470
  543    HB3  MET  72           2HB      MET  72   2.488  10.658  -3.140
  544    HG2  MET  72           1HG      MET  72   1.642  12.770  -2.833
  545    HG3  MET  72           2HG      MET  72   1.262  12.467  -4.526
  546    HE1  MET  72           3HE      MET  72  -0.667  13.806  -5.159
  547    HE2  MET  72           1HE      MET  72  -0.318  14.784  -3.731
  548    HE3  MET  72           2HE      MET  72  -1.979  14.293  -4.077
  549    HA   PRO  73           HA       PRO  73  -0.207   8.238  -2.678
  550    HB2  PRO  73           1HB      PRO  73  -2.491   6.544  -3.417
  551    HB3  PRO  73           2HB      PRO  73  -2.090   7.269  -1.858
  552    HG2  PRO  73           1HG      PRO  73  -4.154   8.154  -3.305
  553    HG3  PRO  73           2HG      PRO  73  -3.138   9.269  -2.370
  554    HD2  PRO  73           1HD      PRO  73  -3.058   8.652  -5.307
  555    HD3  PRO  73           2HD      PRO  73  -2.995  10.229  -4.490
  556    H    THR  74           H        THR  74   0.251   5.779  -2.604
  557    HA   THR  74           HA       THR  74   0.463   4.561  -5.230
  558    HB   THR  74           HB       THR  74   2.884   5.082  -3.503
  559    HG1  THR  74           1HG      THR  74   1.766   6.444  -5.486
  560   HG21  THR  74          3HG2      THR  74   2.621   3.448  -6.031
  561   HG22  THR  74          1HG2      THR  74   3.001   2.832  -4.425
  562   HG23  THR  74          2HG2      THR  74   4.143   3.887  -5.257
  563    H    LEU  75           H        LEU  75  -0.310   2.599  -5.016
  564    HA   LEU  75           HA       LEU  75  -0.094   1.228  -2.424
  565    HB2  LEU  75           1HB      LEU  75  -2.197   1.393  -4.506
  566    HB3  LEU  75           2HB      LEU  75  -1.978  -0.152  -3.717
  567    HG   LEU  75           HG       LEU  75  -3.768   1.229  -2.706
  568   HD11  LEU  75          1HD1      LEU  75  -3.023   0.971  -0.370
  569   HD12  LEU  75          2HD1      LEU  75  -1.393   0.635  -0.958
  570   HD13  LEU  75          3HD1      LEU  75  -2.719  -0.454  -1.360
  571   HD21  LEU  75          3HD2      LEU  75  -1.485   3.060  -2.015
  572   HD22  LEU  75          1HD2      LEU  75  -3.098   3.151  -1.309
  573   HD23  LEU  75          2HD2      LEU  75  -2.876   3.428  -3.036
  574    H    LEU  76           H        LEU  76   1.484  -0.243  -2.490
  575    HA   LEU  76           HA       LEU  76   1.685  -1.906  -4.914
  576    HB2  LEU  76           1HB      LEU  76   4.014  -1.155  -3.135
  577    HB3  LEU  76           2HB      LEU  76   4.081  -2.013  -4.660
  578    HG   LEU  76           HG       LEU  76   3.282   0.880  -4.351
  579   HD11  LEU  76          1HD1      LEU  76   5.872  -0.338  -5.300
  580   HD12  LEU  76          2HD1      LEU  76   5.628   0.544  -3.793
  581   HD13  LEU  76          3HD1      LEU  76   5.464   1.377  -5.338
  582   HD21  LEU  76          3HD2      LEU  76   3.550   0.941  -6.790
  583   HD22  LEU  76          1HD2      LEU  76   2.265  -0.157  -6.289
  584   HD23  LEU  76          2HD2      LEU  76   3.828  -0.800  -6.791
  585    H    LEU  77           H        LEU  77   0.995  -3.867  -4.420
  586    HA   LEU  77           HA       LEU  77   1.602  -4.871  -1.748
  587    HB2  LEU  77           1HB      LEU  77   0.264  -6.877  -3.116
  588    HB3  LEU  77           2HB      LEU  77  -0.387  -5.815  -1.891
  589    HG   LEU  77           HG       LEU  77  -0.425  -5.120  -4.825
  590   HD11  LEU  77          1HD1      LEU  77  -1.610  -7.205  -4.520
  591   HD12  LEU  77          2HD1      LEU  77  -2.790  -5.909  -4.712
  592   HD13  LEU  77          3HD1      LEU  77  -2.451  -6.560  -3.108
  593   HD21  LEU  77          3HD2      LEU  77  -0.766  -3.343  -3.009
  594   HD22  LEU  77          1HD2      LEU  77  -2.284  -4.170  -2.661
  595   HD23  LEU  77          2HD2      LEU  77  -2.003  -3.479  -4.259
  596    H    PHE  78           H        PHE  78   3.075  -6.286  -1.335
  597    HA   PHE  78           HA       PHE  78   4.602  -7.301  -3.609
  598    HB2  PHE  78           1HB      PHE  78   5.401  -6.346  -0.900
  599    HB3  PHE  78           2HB      PHE  78   6.412  -7.522  -1.724
  600    HD1  PHE  78           2HD      PHE  78   4.909  -4.148  -2.062
  601    HD2  PHE  78           1HD      PHE  78   7.941  -6.840  -3.353
  602    HE1  PHE  78           2HE      PHE  78   6.004  -2.322  -3.292
  603    HE2  PHE  78           1HE      PHE  78   9.042  -5.017  -4.582
  604    HZ   PHE  78           HZ       PHE  78   8.073  -2.756  -4.551
  605    H    LYS  79           H        LYS  79   5.571  -9.387  -3.443
  606    HA   LYS  79           HA       LYS  79   4.483 -11.125  -1.363
  607    HB2  LYS  79           1HB      LYS  79   2.955 -11.200  -3.260
  608    HB3  LYS  79           2HB      LYS  79   4.281 -11.596  -4.338
  609    HG2  LYS  79           1HG      LYS  79   4.564 -13.726  -3.203
  610    HG3  LYS  79           2HG      LYS  79   3.302 -13.300  -2.046
  611    HD2  LYS  79           1HD      LYS  79   1.712 -13.114  -3.957
  612    HD3  LYS  79           2HD      LYS  79   2.983 -13.731  -5.014
  613    HE2  LYS  79           1HE      LYS  79   3.085 -15.784  -3.688
  614    HE3  LYS  79           2HE      LYS  79   1.821 -15.162  -2.628
  615    HZ1  LYS  79           3HZ      LYS  79   0.331 -15.089  -4.551
  616    HZ2  LYS  79           1HZ      LYS  79   0.887 -16.657  -4.247
  617    HZ3  LYS  79           2HZ      LYS  79   1.542 -15.759  -5.521
  618    H    ASN  80           H        ASN  80   6.126 -12.117  -0.496
  619    HA   ASN  80           HA       ASN  80   8.244 -12.837  -0.075
  620    HB2  ASN  80           1HB      ASN  80   8.727 -14.219  -2.585
  621    HB3  ASN  80           2HB      ASN  80   8.544 -14.871  -0.965
  622   HD21  ASN  80          1HD2      ASN  80   7.036 -14.227  -3.980
  623   HD22  ASN  80          2HD2      ASN  80   5.545 -15.033  -3.656
  624    H    GLY  81           H        GLY  81   8.255 -10.262  -1.156
  625    HA2  GLY  81           1HA      GLY  81   9.800  -8.726  -1.875
  626    HA3  GLY  81           2HA      GLY  81  10.983 -10.021  -1.876
  627    H    LYS  82           H        LYS  82   8.328 -10.798  -3.824
  628    HA   LYS  82           HA       LYS  82   9.889 -10.084  -6.214
  629    HB2  LYS  82           1HB      LYS  82   7.946 -12.326  -5.670
  630    HB3  LYS  82           2HB      LYS  82   8.523 -11.931  -7.274
  631    HG2  LYS  82           1HG      LYS  82  10.216 -12.804  -4.949
  632    HG3  LYS  82           2HG      LYS  82   9.754 -13.793  -6.335
  633    HD2  LYS  82           1HD      LYS  82  10.924 -12.157  -7.809
  634    HD3  LYS  82           2HD      LYS  82  11.497 -11.331  -6.358
  635    HE2  LYS  82           1HE      LYS  82  13.201 -12.835  -7.222
  636    HE3  LYS  82           2HE      LYS  82  12.632 -13.380  -5.647
  637    HZ1  LYS  82           3HZ      LYS  82  11.681 -14.461  -8.240
  638    HZ2  LYS  82           1HZ      LYS  82  11.293 -15.042  -6.701
  639    HZ3  LYS  82           2HZ      LYS  82  12.872 -15.185  -7.286
  640    H    GLU  83           H        GLU  83   7.498  -8.973  -4.471
  641    HA   GLU  83           HA       GLU  83   5.772  -7.584  -4.759
  642    HB2  GLU  83           1HB      GLU  83   7.339  -6.677  -6.592
  643    HB3  GLU  83           2HB      GLU  83   6.293  -7.528  -7.719
  644    HG2  GLU  83           1HG      GLU  83   4.394  -6.204  -7.008
  645    HG3  GLU  83           2HG      GLU  83   5.386  -5.393  -5.797
  646    H    VAL  84           H        VAL  84   3.587  -7.403  -6.005
  647    HA   VAL  84           HA       VAL  84   2.860  -9.882  -7.330
  648    HB   VAL  84           HB       VAL  84   2.293  -9.884  -4.790
  649   HG11  VAL  84          1HG1      VAL  84   1.180  -7.819  -4.542
  650   HG12  VAL  84          2HG1      VAL  84  -0.055  -9.076  -4.399
  651   HG13  VAL  84          3HG1      VAL  84   0.103  -8.158  -5.895
  652   HG21  VAL  84          3HG2      VAL  84   0.311 -10.666  -6.906
  653   HG22  VAL  84          1HG2      VAL  84   0.283 -11.233  -5.235
  654   HG23  VAL  84          2HG2      VAL  84   1.643 -11.639  -6.282
  655    H    ALA  85           H        ALA  85   2.174  -6.552  -6.515
  656    HA   ALA  85           HA       ALA  85   1.073  -6.105  -9.152
  657    HB1  ALA  85           1HB      ALA  85  -0.625  -5.558  -6.728
  658    HB2  ALA  85           2HB      ALA  85  -0.939  -6.792  -7.949
  659    HB3  ALA  85           3HB      ALA  85  -1.001  -5.078  -8.383
  660    H    LYS  86           H        LYS  86   0.715  -3.835  -9.581
  661    HA   LYS  86           HA       LYS  86   1.896  -2.035  -7.633
  662    HB2  LYS  86           1HB      LYS  86   3.796  -2.429  -8.977
  663    HB3  LYS  86           2HB      LYS  86   2.853  -2.434 -10.459
  664    HG2  LYS  86           1HG      LYS  86   2.471  -0.033 -10.232
  665    HG3  LYS  86           2HG      LYS  86   3.406  -0.023  -8.740
  666    HD2  LYS  86           1HD      LYS  86   4.603  -1.011 -11.305
  667    HD3  LYS  86           2HD      LYS  86   4.547   0.710 -10.936
  668    HE2  LYS  86           1HE      LYS  86   6.639   0.069 -10.160
  669    HE3  LYS  86           2HE      LYS  86   5.644   0.054  -8.706
  670    HZ1  LYS  86           3HZ      LYS  86   7.078  -1.896  -8.863
  671    HZ2  LYS  86           1HZ      LYS  86   6.360  -2.333 -10.328
  672    HZ3  LYS  86           2HZ      LYS  86   5.453  -2.349  -8.902
  673    H    VAL  87           H        VAL  87   0.423  -0.520  -7.253
  674    HA   VAL  87           HA       VAL  87  -0.888   0.699  -9.597
  675    HB   VAL  87           HB       VAL  87  -2.027   0.734  -6.796
  676   HG11  VAL  87          1HG1      VAL  87  -2.678   2.591  -8.218
  677   HG12  VAL  87          2HG1      VAL  87  -4.051   1.515  -7.934
  678   HG13  VAL  87          3HG1      VAL  87  -3.197   1.465  -9.475
  679   HG21  VAL  87          3HG2      VAL  87  -2.032  -1.578  -7.657
  680   HG22  VAL  87          1HG2      VAL  87  -2.909  -1.026  -9.084
  681   HG23  VAL  87          2HG2      VAL  87  -3.662  -0.919  -7.488
  682    H    VAL  88           H        VAL  88  -0.454   2.767  -9.898
  683    HA   VAL  88           HA       VAL  88   0.940   4.181  -7.748
  684    HB   VAL  88           HB       VAL  88   2.038   5.286  -9.939
  685   HG11  VAL  88          1HG1      VAL  88   4.012   4.049  -9.370
  686   HG12  VAL  88          2HG1      VAL  88   3.051   2.742  -8.677
  687   HG13  VAL  88          3HG1      VAL  88   3.098   4.318  -7.881
  688   HG21  VAL  88          3HG2      VAL  88   2.708   3.311 -11.392
  689   HG22  VAL  88          1HG2      VAL  88   1.051   3.892 -11.578
  690   HG23  VAL  88          2HG2      VAL  88   1.369   2.434 -10.636
  691    H    GLY  89           H        GLY  89  -0.919   5.212  -7.171
  692    HA2  GLY  89           1HA      GLY  89  -1.366   7.749  -7.900
  693    HA3  GLY  89           2HA      GLY  89  -2.349   6.869  -9.068
  694    H    ALA  90           H        ALA  90  -3.939   8.316  -7.771
  695    HA   ALA  90           HA       ALA  90  -4.770   7.362  -5.211
  696    HB1  ALA  90           1HB      ALA  90  -6.705   8.799  -5.522
  697    HB2  ALA  90           2HB      ALA  90  -6.318   8.985  -7.232
  698    HB3  ALA  90           3HB      ALA  90  -5.237   9.650  -6.007
  699    H    ASN  91           H        ASN  91  -5.441   5.282  -5.029
  700    HA   ASN  91           HA       ASN  91  -7.254   4.291  -7.118
  701    HB2  ASN  91           1HB      ASN  91  -6.158   2.120  -7.044
  702    HB3  ASN  91           2HB      ASN  91  -5.002   3.378  -7.465
  703   HD21  ASN  91          1HD2      ASN  91  -4.756   0.670  -6.259
  704   HD22  ASN  91          2HD2      ASN  91  -3.834   0.895  -4.819
  705    HA   PRO  92           HA       PRO  92  -9.120   3.256  -2.953
  706    HB2  PRO  92           1HB      PRO  92 -11.523   4.582  -3.984
  707    HB3  PRO  92           2HB      PRO  92 -10.668   4.860  -2.467
  708    HG2  PRO  92           1HG      PRO  92 -10.687   6.647  -4.517
  709    HG3  PRO  92           2HG      PRO  92  -9.356   6.507  -3.357
  710    HD2  PRO  92           1HD      PRO  92  -9.548   5.499  -6.165
  711    HD3  PRO  92           2HD      PRO  92  -8.147   6.158  -5.299
  712    H    ALA  93           H        ALA  93 -10.345   3.392  -6.269
  713    HA   ALA  93           HA       ALA  93 -11.969   1.008  -5.890
  714    HB1  ALA  93           1HB      ALA  93 -11.493   2.641  -8.381
  715    HB2  ALA  93           2HB      ALA  93 -12.834   2.854  -7.256
  716    HB3  ALA  93           3HB      ALA  93 -12.689   1.361  -8.183
  717    H    ALA  94           H        ALA  94  -9.106   2.029  -7.696
  718    HA   ALA  94           HA       ALA  94  -8.730  -0.474  -8.992
  719    HB1  ALA  94           1HB      ALA  94  -7.893   1.501 -10.050
  720    HB2  ALA  94           2HB      ALA  94  -6.532   0.446  -9.664
  721    HB3  ALA  94           3HB      ALA  94  -6.861   1.863  -8.671
  722    H    ILE  95           H        ILE  95  -7.868   0.695  -5.838
  723    HA   ILE  95           HA       ILE  95  -5.802  -1.092  -5.252
  724    HB   ILE  95           HB       ILE  95  -6.747   0.606  -3.619
  725   HG12  ILE  95          1HG1      ILE  95  -6.043  -0.619  -1.700
  726   HG13  ILE  95          2HG1      ILE  95  -6.572  -2.154  -2.388
  727   HG21  ILE  95          1HG2      ILE  95  -8.749  -1.569  -3.068
  728   HG22  ILE  95          2HG2      ILE  95  -9.104  -0.018  -3.841
  729   HG23  ILE  95          3HG2      ILE  95  -8.560  -0.060  -2.165
  730   HD11  ILE  95          3HD1      ILE  95  -4.747  -2.140  -3.938
  731   HD12  ILE  95          1HD1      ILE  95  -4.118  -1.860  -2.317
  732   HD13  ILE  95          2HD1      ILE  95  -4.277  -0.514  -3.445
  733    H    LYS  96           H        LYS  96  -9.261  -1.496  -5.481
  734    HA   LYS  96           HA       LYS  96  -9.432  -4.110  -4.512
  735    HB2  LYS  96           1HB      LYS  96 -11.143  -2.402  -6.201
  736    HB3  LYS  96           2HB      LYS  96 -11.407  -4.134  -6.348
  737    HG2  LYS  96           1HG      LYS  96 -11.491  -2.553  -3.790
  738    HG3  LYS  96           2HG      LYS  96 -12.887  -3.147  -4.692
  739    HD2  LYS  96           1HD      LYS  96 -12.021  -5.464  -4.378
  740    HD3  LYS  96           2HD      LYS  96 -10.744  -4.798  -3.345
  741    HE2  LYS  96           1HE      LYS  96 -12.336  -4.043  -1.742
  742    HE3  LYS  96           2HE      LYS  96 -13.684  -4.368  -2.830
  743    HZ1  LYS  96           3HZ      LYS  96 -13.446  -6.059  -1.093
  744    HZ2  LYS  96           1HZ      LYS  96 -11.904  -6.441  -1.674
  745    HZ3  LYS  96           2HZ      LYS  96 -13.261  -6.717  -2.641
  746    H    GLN  97           H        GLN  97  -8.628  -2.882  -7.692
  747    HA   GLN  97           HA       GLN  97  -8.560  -5.229  -9.163
  748    HB2  GLN  97           1HB      GLN  97  -8.207  -2.948 -10.079
  749    HB3  GLN  97           2HB      GLN  97  -6.637  -2.886  -9.300
  750    HG2  GLN  97           1HG      GLN  97  -7.268  -5.046 -11.271
  751    HG3  GLN  97           2HG      GLN  97  -6.803  -3.439 -11.818
  752   HE21  GLN  97          1HE2      GLN  97  -4.966  -3.007  -9.588
  753   HE22  GLN  97          2HE2      GLN  97  -3.578  -3.996  -9.898
  754    H    ALA  98           H        ALA  98  -5.950  -3.750  -7.242
  755    HA   ALA  98           HA       ALA  98  -4.248  -6.040  -7.574
  756    HB1  ALA  98           1HB      ALA  98  -3.391  -3.705  -7.344
  757    HB2  ALA  98           2HB      ALA  98  -2.643  -4.835  -6.216
  758    HB3  ALA  98           3HB      ALA  98  -3.904  -3.731  -5.659
  759    H    ILE  99           H        ILE  99  -6.337  -4.837  -5.132
  760    HA   ILE  99           HA       ILE  99  -5.351  -6.405  -2.997
  761    HB   ILE  99           HB       ILE  99  -6.965  -4.200  -3.212
  762   HG12  ILE  99          1HG1      ILE  99  -5.438  -4.918  -1.366
  763   HG13  ILE  99          2HG1      ILE  99  -6.946  -4.180  -0.820
  764   HG21  ILE  99          1HG2      ILE  99  -8.903  -5.762  -3.634
  765   HG22  ILE  99          2HG2      ILE  99  -9.087  -4.523  -2.388
  766   HG23  ILE  99          3HG2      ILE  99  -8.758  -6.200  -1.930
  767   HD11  ILE  99          3HD1      ILE  99  -6.749  -7.135  -1.146
  768   HD12  ILE  99          1HD1      ILE  99  -7.807  -6.194  -0.095
  769   HD13  ILE  99          2HD1      ILE  99  -6.092  -6.356   0.309
  770    H    ALA 100           H        ALA 100  -8.022  -6.801  -5.229
  771    HA   ALA 100           HA       ALA 100  -8.941  -9.138  -3.793
  772    HB1  ALA 100           1HB      ALA 100 -10.807  -9.168  -5.355
  773    HB2  ALA 100           2HB      ALA 100 -10.053  -7.883  -6.300
  774    HB3  ALA 100           3HB      ALA 100 -10.599  -7.563  -4.653
  775    H    ALA 101           H        ALA 101  -7.375  -8.339  -6.860
  776    HA   ALA 101           HA       ALA 101  -7.657 -10.996  -7.901
  777    HB1  ALA 101           1HB      ALA 101  -7.566  -9.038  -9.372
  778    HB2  ALA 101           2HB      ALA 101  -6.322 -10.224  -9.767
  779    HB3  ALA 101           3HB      ALA 101  -5.896  -8.759  -8.883
  780    H    ASN 102           H        ASN 102  -5.167  -9.271  -6.101
  781    HA   ASN 102           HA       ASN 102  -3.343 -11.535  -6.552
  782    HB2  ASN 102           1HB      ASN 102  -2.838  -8.930  -5.114
  783    HB3  ASN 102           2HB      ASN 102  -1.637 -10.186  -5.406
  784   HD21  ASN 102          1HD2      ASN 102  -3.440  -7.612  -6.726
  785   HD22  ASN 102          2HD2      ASN 102  -2.674  -7.562  -8.281
  786    H    ALA 103           H        ALA 103  -4.283  -9.651  -3.664
  787    HA   ALA 103           HA       ALA 103  -3.890 -11.757  -1.835
  788    HB1  ALA 103           1HB      ALA 103  -4.259  -9.275  -1.317
  789    HB2  ALA 103           2HB      ALA 103  -5.010 -10.448  -0.237
  790    HB3  ALA 103           3HB      ALA 103  -5.980  -9.625  -1.457
  Start of MODEL    9
    1    H1   MET   1           1H       MET   1  -8.760  -1.620   8.389
    2    H2   MET   1           2H       MET   1  -9.939  -1.135   9.502
    3    H3   MET   1           3H       MET   1  -8.892  -2.412   9.877
    4    HA   MET   1           HA       MET   1  -8.175   0.435   9.567
    5    HB2  MET   1           1HB      MET   1  -9.270  -0.325  11.714
    6    HB3  MET   1           2HB      MET   1  -7.903  -1.398  11.958
    7    HG2  MET   1           1HG      MET   1  -7.605   1.574  11.648
    8    HG3  MET   1           2HG      MET   1  -7.865   0.794  13.204
    9    HE1  MET   1           3HE      MET   1  -5.610   2.036  14.034
   10    HE2  MET   1           1HE      MET   1  -5.400   2.718  12.422
   11    HE3  MET   1           2HE      MET   1  -4.063   1.874  13.203
   12    H    VAL   2           H        VAL   2  -6.193   0.788   8.842
   13    HA   VAL   2           HA       VAL   2  -4.420  -1.537   8.581
   14    HB   VAL   2           HB       VAL   2  -4.544  -1.090   6.403
   15   HG11  VAL   2          1HG1      VAL   2  -5.491   1.697   7.011
   16   HG12  VAL   2          2HG1      VAL   2  -6.518   0.290   6.741
   17   HG13  VAL   2          3HG1      VAL   2  -5.506   0.904   5.434
   18   HG21  VAL   2          3HG2      VAL   2  -2.360   0.062   7.277
   19   HG22  VAL   2          1HG2      VAL   2  -3.163   1.522   6.714
   20   HG23  VAL   2          2HG2      VAL   2  -2.841   0.194   5.588
   21    H    THR   3           H        THR   3  -2.273  -1.393   8.914
   22    HA   THR   3           HA       THR   3  -1.461   0.481  10.951
   23    HB   THR   3           HB       THR   3  -0.653  -2.155   9.995
   24    HG1  THR   3           1HG      THR   3  -1.496  -1.309  12.140
   25   HG21  THR   3          3HG2      THR   3   1.695  -2.039  10.551
   26   HG22  THR   3          1HG2      THR   3   1.552  -0.323  10.946
   27   HG23  THR   3          2HG2      THR   3   1.342  -0.861   9.273
   28    H    GLN   4           H        GLN   4   0.217   1.912  10.852
   29    HA   GLN   4           HA       GLN   4   1.400   2.415   8.215
   30    HB2  GLN   4           1HB      GLN   4   2.203   4.566   9.532
   31    HB3  GLN   4           2HB      GLN   4   0.600   4.477   8.824
   32    HG2  GLN   4           1HG      GLN   4   0.241   5.360  10.941
   33    HG3  GLN   4           2HG      GLN   4  -0.182   3.658  11.107
   34   HE21  GLN   4          1HE2      GLN   4   3.117   4.910  11.004
   35   HE22  GLN   4          2HE2      GLN   4   3.501   4.495  12.639
   36    H    PHE   5           H        PHE   5   3.512   2.048   7.882
   37    HA   PHE   5           HA       PHE   5   5.123   0.970  10.038
   38    HB2  PHE   5           1HB      PHE   5   5.707   1.403   7.105
   39    HB3  PHE   5           2HB      PHE   5   6.907   0.815   8.241
   40    HD1  PHE   5           2HD      PHE   5   5.120  -0.998   9.861
   41    HD2  PHE   5           1HD      PHE   5   5.531  -0.421   5.666
   42    HE1  PHE   5           2HE      PHE   5   4.368  -3.304   9.474
   43    HE2  PHE   5           1HE      PHE   5   4.783  -2.731   5.263
   44    HZ   PHE   5           HZ       PHE   5   4.200  -4.173   7.178
   45    H    LYS   6           H        LYS   6   7.372   1.802  10.307
   46    HA   LYS   6           HA       LYS   6   7.341   4.735  10.219
   47    HB2  LYS   6           1HB      LYS   6   8.695   4.670  12.299
   48    HB3  LYS   6           2HB      LYS   6   7.077   4.005  12.487
   49    HG2  LYS   6           1HG      LYS   6   7.991   1.749  12.312
   50    HG3  LYS   6           2HG      LYS   6   9.614   2.419  12.146
   51    HD2  LYS   6           1HD      LYS   6   9.436   3.426  14.360
   52    HD3  LYS   6           2HD      LYS   6   7.796   2.796  14.525
   53    HE2  LYS   6           1HE      LYS   6   8.634   0.521  14.415
   54    HE3  LYS   6           2HE      LYS   6  10.275   1.118  14.170
   55    HZ1  LYS   6           3HZ      LYS   6   8.619   1.573  16.592
   56    HZ2  LYS   6           1HZ      LYS   6  10.201   2.128  16.361
   57    HZ3  LYS   6           2HZ      LYS   6   9.892   0.468  16.463
   58    H    THR   7           H        THR   7   9.047   1.902   9.333
   59    HA   THR   7           HA       THR   7  11.200   3.594   8.320
   60    HB   THR   7           HB       THR   7  12.836   1.768   8.738
   61    HG1  THR   7           1HG      THR   7  12.170   0.293  10.476
   62   HG21  THR   7          3HG2      THR   7  12.760   3.741  10.181
   63   HG22  THR   7          1HG2      THR   7  13.185   2.299  11.100
   64   HG23  THR   7          2HG2      THR   7  11.553   2.955  11.199
   65    H    ALA   8           H        ALA   8  12.201   2.915   6.415
   66    HA   ALA   8           HA       ALA   8  10.702   1.538   4.507
   67    HB1  ALA   8           1HB      ALA   8  13.722   1.760   4.600
   68    HB2  ALA   8           2HB      ALA   8  12.651   3.035   4.029
   69    HB3  ALA   8           3HB      ALA   8  12.723   1.495   3.171
   70    H    SER   9           H        SER   9  13.040   0.521   6.890
   71    HA   SER   9           HA       SER   9  13.413  -2.143   6.094
   72    HB2  SER   9           1HB      SER   9  13.542  -0.989   8.886
   73    HB3  SER   9           2HB      SER   9  14.296  -2.485   8.335
   74    HG   SER   9           HG       SER   9  15.106  -0.638   6.674
   75    H    GLU  10           H        GLU  10  10.876  -0.597   8.037
   76    HA   GLU  10           HA       GLU  10   9.723  -3.045   8.940
   77    HB2  GLU  10           1HB      GLU  10   8.597  -0.272   8.599
   78    HB3  GLU  10           2HB      GLU  10   7.618  -1.612   9.181
   79    HG2  GLU  10           1HG      GLU  10  10.112  -0.529  10.471
   80    HG3  GLU  10           2HG      GLU  10   8.455  -0.294  11.026
   81    H    PHE  11           H        PHE  11   9.104  -0.964   6.170
   82    HA   PHE  11           HA       PHE  11   7.065  -2.501   4.988
   83    HB2  PHE  11           1HB      PHE  11   7.141  -0.437   4.052
   84    HB3  PHE  11           2HB      PHE  11   8.887  -0.309   4.181
   85    HD1  PHE  11           1HD      PHE  11   6.091  -1.371   2.085
   86    HD2  PHE  11           2HD      PHE  11  10.325  -1.111   2.401
   87    HE1  PHE  11           1HE      PHE  11   6.288  -1.764  -0.335
   88    HE2  PHE  11           2HE      PHE  11  10.532  -1.509  -0.020
   89    HZ   PHE  11           HZ       PHE  11   8.511  -1.834  -1.390
   90    H    ASP  12           H        ASP  12  10.565  -2.498   4.567
   91    HA   ASP  12           HA       ASP  12  10.781  -4.399   2.543
   92    HB2  ASP  12           1HB      ASP  12  12.685  -3.077   3.189
   93    HB3  ASP  12           2HB      ASP  12  12.653  -3.741   4.819
   94    H    SER  13           H        SER  13  10.682  -4.849   6.054
   95    HA   SER  13           HA       SER  13  11.116  -7.657   5.948
   96    HB2  SER  13           1HB      SER  13  11.572  -6.133   7.925
   97    HB3  SER  13           2HB      SER  13   9.834  -6.102   8.205
   98    HG   SER  13           HG       SER  13  11.633  -8.267   8.402
   99    H    ALA  14           H        ALA  14   8.312  -5.635   5.691
  100    HA   ALA  14           HA       ALA  14   6.422  -7.732   6.184
  101    HB1  ALA  14           1HB      ALA  14   6.018  -5.065   4.842
  102    HB2  ALA  14           2HB      ALA  14   5.842  -5.388   6.568
  103    HB3  ALA  14           3HB      ALA  14   4.747  -6.148   5.411
  104    H    ILE  15           H        ILE  15   7.598  -6.058   3.278
  105    HA   ILE  15           HA       ILE  15   6.053  -7.589   1.478
  106    HB   ILE  15           HB       ILE  15   7.495  -6.695  -0.281
  107   HG12  ILE  15          1HG1      ILE  15   9.088  -5.328   1.879
  108   HG13  ILE  15          2HG1      ILE  15   9.588  -6.867   1.195
  109   HG21  ILE  15          1HG2      ILE  15   5.682  -5.321   0.642
  110   HG22  ILE  15          2HG2      ILE  15   7.034  -4.333   0.093
  111   HG23  ILE  15          3HG2      ILE  15   6.806  -4.636   1.816
  112   HD11  ILE  15          3HD1      ILE  15  10.755  -5.033   0.140
  113   HD12  ILE  15          1HD1      ILE  15   9.218  -4.289  -0.308
  114   HD13  ILE  15          2HD1      ILE  15   9.691  -5.833  -1.019
  115    H    ALA  16           H        ALA  16   8.917  -8.307   3.220
  116    HA   ALA  16           HA       ALA  16   9.911 -10.280   1.358
  117    HB1  ALA  16           1HB      ALA  16  10.665  -9.871   4.244
  118    HB2  ALA  16           2HB      ALA  16  11.392  -9.006   2.886
  119    HB3  ALA  16           3HB      ALA  16  11.578 -10.757   3.022
  120    H    GLN  17           H        GLN  17   7.365 -10.219   3.468
  121    HA   GLN  17           HA       GLN  17   7.569 -12.823   4.602
  122    HB2  GLN  17           1HB      GLN  17   5.208 -10.969   4.239
  123    HB3  GLN  17           2HB      GLN  17   5.133 -12.489   5.121
  124    HG2  GLN  17           1HG      GLN  17   6.685 -11.694   6.752
  125    HG3  GLN  17           2HG      GLN  17   6.990 -10.231   5.819
  126   HE21  GLN  17          1HE2      GLN  17   6.395  -8.908   7.529
  127   HE22  GLN  17          2HE2      GLN  17   4.747  -8.704   8.009
  128    H    ASP  18           H        ASP  18   6.347 -14.682   4.047
  129    HA   ASP  18           HA       ASP  18   6.142 -15.090   1.201
  130    HB2  ASP  18           1HB      ASP  18   5.653 -16.906   3.560
  131    HB3  ASP  18           2HB      ASP  18   5.470 -17.427   1.889
  132    H    LYS  19           H        LYS  19   4.311 -13.250   2.438
  133    HA   LYS  19           HA       LYS  19   1.755 -14.372   1.544
  134    HB2  LYS  19           1HB      LYS  19   0.604 -13.624   3.398
  135    HB3  LYS  19           2HB      LYS  19   2.027 -14.383   4.074
  136    HG2  LYS  19           1HG      LYS  19   3.021 -12.323   4.599
  137    HG3  LYS  19           2HG      LYS  19   1.884 -11.428   3.584
  138    HD2  LYS  19           1HD      LYS  19   1.163 -12.959   6.079
  139    HD3  LYS  19           2HD      LYS  19   1.364 -11.207   5.977
  140    HE2  LYS  19           1HE      LYS  19  -0.482 -10.998   4.497
  141    HE3  LYS  19           2HE      LYS  19  -0.584 -12.745   4.267
  142    HZ1  LYS  19           3HZ      LYS  19  -1.152 -11.249   6.776
  143    HZ2  LYS  19           1HZ      LYS  19  -1.185 -12.939   6.627
  144    HZ3  LYS  19           2HZ      LYS  19  -2.295 -11.998   5.770
  145    H    LEU  20           H        LEU  20   0.162 -12.416   1.388
  146    HA   LEU  20           HA       LEU  20   1.574 -10.493  -0.244
  147    HB2  LEU  20           1HB      LEU  20  -0.535 -11.506  -1.052
  148    HB3  LEU  20           2HB      LEU  20  -1.399 -10.683   0.232
  149    HG   LEU  20           HG       LEU  20   0.263  -8.984  -1.492
  150   HD11  LEU  20          1HD1      LEU  20  -1.492  -8.881  -3.210
  151   HD12  LEU  20          2HD1      LEU  20  -2.255 -10.284  -2.460
  152   HD13  LEU  20          3HD1      LEU  20  -0.643 -10.425  -3.156
  153   HD21  LEU  20          3HD2      LEU  20  -1.715  -7.514  -1.299
  154   HD22  LEU  20          1HD2      LEU  20  -1.021  -7.972   0.256
  155   HD23  LEU  20          2HD2      LEU  20  -2.493  -8.756  -0.319
  156    H    VAL  21           H        VAL  21   1.884  -8.450   0.122
  157    HA   VAL  21           HA       VAL  21   0.772  -7.202   2.540
  158    HB   VAL  21           HB       VAL  21   3.711  -7.271   1.802
  159   HG11  VAL  21          1HG1      VAL  21   4.116  -5.637   3.548
  160   HG12  VAL  21          2HG1      VAL  21   2.391  -5.567   3.918
  161   HG13  VAL  21          3HG1      VAL  21   2.983  -4.964   2.369
  162   HG21  VAL  21          3HG2      VAL  21   2.889  -9.150   3.150
  163   HG22  VAL  21          1HG2      VAL  21   2.254  -8.015   4.341
  164   HG23  VAL  21          2HG2      VAL  21   3.994  -8.127   4.070
  165    H    VAL  22           H        VAL  22  -0.399  -5.593   1.707
  166    HA   VAL  22           HA       VAL  22   0.766  -4.052  -0.479
  167    HB   VAL  22           HB       VAL  22  -1.252  -4.455  -1.343
  168   HG11  VAL  22          1HG1      VAL  22  -1.966  -5.997   0.301
  169   HG12  VAL  22          2HG1      VAL  22  -3.297  -4.884  -0.014
  170   HG13  VAL  22          3HG1      VAL  22  -2.317  -4.702   1.444
  171   HG21  VAL  22          3HG2      VAL  22  -1.294  -2.048  -1.065
  172   HG22  VAL  22          1HG2      VAL  22  -2.017  -2.225   0.535
  173   HG23  VAL  22          2HG2      VAL  22  -2.921  -2.706  -0.900
  174    H    VAL  23           H        VAL  23   1.965  -2.543   0.187
  175    HA   VAL  23           HA       VAL  23   1.181  -0.846   2.444
  176    HB   VAL  23           HB       VAL  23   3.776  -1.038   0.891
  177   HG11  VAL  23          1HG1      VAL  23   3.125   0.587   3.340
  178   HG12  VAL  23          2HG1      VAL  23   3.398   1.224   1.717
  179   HG13  VAL  23          3HG1      VAL  23   4.713   0.434   2.588
  180   HG21  VAL  23          3HG2      VAL  23   2.935  -2.045   3.597
  181   HG22  VAL  23          1HG2      VAL  23   4.622  -1.896   3.111
  182   HG23  VAL  23          2HG2      VAL  23   3.544  -2.975   2.229
  183    H    ALA  24           H        ALA  24   0.695   1.341   2.133
  184    HA   ALA  24           HA       ALA  24   0.928   2.362  -0.614
  185    HB1  ALA  24           1HB      ALA  24  -1.186   3.189  -0.694
  186    HB2  ALA  24           2HB      ALA  24  -1.315   3.306   1.054
  187    HB3  ALA  24           3HB      ALA  24  -1.456   1.734   0.266
  188    H    PHE  25           H        PHE  25   2.055   4.016  -0.836
  189    HA   PHE  25           HA       PHE  25   2.987   5.527   1.391
  190    HB2  PHE  25           1HB      PHE  25   3.257   5.942  -1.587
  191    HB3  PHE  25           2HB      PHE  25   4.135   6.866  -0.366
  192    HD1  PHE  25           1HD      PHE  25   5.700   5.609   1.181
  193    HD2  PHE  25           2HD      PHE  25   4.047   3.877  -2.338
  194    HE1  PHE  25           1HE      PHE  25   7.461   3.890   1.193
  195    HE2  PHE  25           2HE      PHE  25   5.809   2.161  -2.327
  196    HZ   PHE  25           HZ       PHE  25   7.513   2.163  -0.558
  197    H    TYR  26           H        TYR  26   2.067   7.198   2.292
  198    HA   TYR  26           HA       TYR  26  -0.028   8.709   0.859
  199    HB2  TYR  26           1HB      TYR  26   0.288   8.005   3.784
  200    HB3  TYR  26           2HB      TYR  26  -0.750   9.317   3.255
  201    HD1  TYR  26           2HD      TYR  26  -0.738   6.460   1.045
  202    HD2  TYR  26           1HD      TYR  26  -2.437   8.082   4.586
  203    HE1  TYR  26           2HE      TYR  26  -2.606   4.867   0.881
  204    HE2  TYR  26           1HE      TYR  26  -4.298   6.494   4.439
  205    HH   TYR  26           HH       TYR  26  -5.424   5.146   2.747
  206    H    ALA  27           H        ALA  27  -0.278  10.916   2.072
  207    HA   ALA  27           HA       ALA  27   2.207  11.919   3.172
  208    HB1  ALA  27           1HB      ALA  27   2.269  13.863   1.688
  209    HB2  ALA  27           2HB      ALA  27   0.895  13.226   0.782
  210    HB3  ALA  27           3HB      ALA  27   2.435  12.367   0.768
  211    H    THR  28           H        THR  28   1.882  13.657   4.532
  212    HA   THR  28           HA       THR  28  -0.716  13.815   5.666
  213    HB   THR  28           HB       THR  28   0.659  15.792   6.910
  214    HG1  THR  28           1HG      THR  28   2.728  13.951   6.591
  215   HG21  THR  28          3HG2      THR  28  -0.388  13.869   7.987
  216   HG22  THR  28          1HG2      THR  28   1.259  14.087   8.577
  217   HG23  THR  28          2HG2      THR  28   0.905  12.822   7.400
  218    H    TRP  29           H        TRP  29   0.465  15.286   2.977
  219    HA   TRP  29           HA       TRP  29  -1.115  17.722   3.414
  220    HB2  TRP  29           1HB      TRP  29   0.474  18.889   1.923
  221    HB3  TRP  29           2HB      TRP  29   1.233  18.275   3.388
  222    HD1  TRP  29           HD       TRP  29   0.875  17.347  -0.327
  223    HE1  TRP  29           1HE      TRP  29   2.984  16.047  -1.053
  224    HE3  TRP  29           3HE      TRP  29   3.206  17.023   4.200
  225    HZ2  TRP  29           2HZ      TRP  29   5.322  15.021   0.155
  226    HZ3  TRP  29           3HZ      TRP  29   5.372  15.867   4.335
  227    HH2  TRP  29           HH       TRP  29   6.406  14.886   2.355
  228    H    CYS  30           H        CYS  30  -1.597  14.966   1.920
  229    HA   CYS  30           HA       CYS  30  -2.337  16.227  -0.632
  230    HB2  CYS  30           1HB      CYS  30  -2.507  13.824  -1.491
  231    HB3  CYS  30           2HB      CYS  30  -0.904  14.494  -1.223
  232    H    GLY  31           H        GLY  31  -4.275  15.661  -1.666
  233    HA2  GLY  31           1HA      GLY  31  -6.499  15.397   0.156
  234    HA3  GLY  31           2HA      GLY  31  -6.584  15.735  -1.562
  235    HA   PRO  32           HA       PRO  32  -7.449  11.589  -2.818
  236    HB2  PRO  32           1HB      PRO  32  -4.619  10.837  -3.367
  237    HB3  PRO  32           2HB      PRO  32  -6.050  10.672  -4.391
  238    HG2  PRO  32           1HG      PRO  32  -4.294  12.583  -4.875
  239    HG3  PRO  32           2HG      PRO  32  -6.034  12.908  -5.001
  240    HD2  PRO  32           1HD      PRO  32  -4.122  13.653  -2.819
  241    HD3  PRO  32           2HD      PRO  32  -5.465  14.588  -3.498
  242    H    CYS  33           H        CYS  33  -4.322  11.419  -1.144
  243    HA   CYS  33           HA       CYS  33  -4.502   8.884  -0.043
  244    HB2  CYS  33           1HB      CYS  33  -3.009   9.829   1.767
  245    HB3  CYS  33           2HB      CYS  33  -2.453  10.100   0.116
  246    H    LYS  34           H        LYS  34  -5.970  11.876   1.074
  247    HA   LYS  34           HA       LYS  34  -6.848  10.894   3.565
  248    HB2  LYS  34           1HB      LYS  34  -6.742  13.301   2.934
  249    HB3  LYS  34           2HB      LYS  34  -8.111  13.049   1.864
  250    HG2  LYS  34           1HG      LYS  34  -8.841  14.052   3.931
  251    HG3  LYS  34           2HG      LYS  34  -9.489  12.418   3.793
  252    HD2  LYS  34           1HD      LYS  34  -7.806  11.578   5.305
  253    HD3  LYS  34           2HD      LYS  34  -7.026  13.158   5.369
  254    HE2  LYS  34           1HE      LYS  34  -9.838  12.583   6.290
  255    HE3  LYS  34           2HE      LYS  34  -8.433  12.668   7.350
  256    HZ1  LYS  34           3HZ      LYS  34  -8.117  14.972   6.651
  257    HZ2  LYS  34           1HZ      LYS  34  -9.632  14.744   7.360
  258    HZ3  LYS  34           2HZ      LYS  34  -9.498  14.881   5.682
  259    H    MET  35           H        MET  35  -8.540  11.167   0.415
  260    HA   MET  35           HA       MET  35 -10.971  10.134   1.437
  261    HB2  MET  35           1HB      MET  35 -11.720   9.977  -0.878
  262    HB3  MET  35           2HB      MET  35 -10.999  11.536  -0.523
  263    HG2  MET  35           1HG      MET  35  -8.943  10.809  -1.644
  264    HG3  MET  35           2HG      MET  35  -9.710   9.263  -2.004
  265    HE1  MET  35           3HE      MET  35  -8.431  10.935  -4.355
  266    HE2  MET  35           1HE      MET  35  -9.712  10.828  -5.561
  267    HE3  MET  35           2HE      MET  35  -9.309   9.422  -4.574
  268    H    ILE  36           H        ILE  36  -8.375   8.511  -0.398
  269    HA   ILE  36           HA       ILE  36  -9.830   6.047  -0.348
  270    HB   ILE  36           HB       ILE  36  -8.440   5.583  -2.008
  271   HG12  ILE  36          1HG1      ILE  36  -7.470   4.287   0.061
  272   HG13  ILE  36          2HG1      ILE  36  -6.678   4.199  -1.496
  273   HG21  ILE  36          1HG2      ILE  36  -6.351   6.752  -2.502
  274   HG22  ILE  36          2HG2      ILE  36  -6.495   7.613  -0.968
  275   HG23  ILE  36          3HG2      ILE  36  -7.710   7.842  -2.228
  276   HD11  ILE  36          3HD1      ILE  36  -5.019   5.804  -0.774
  277   HD12  ILE  36          1HD1      ILE  36  -5.111   4.474   0.389
  278   HD13  ILE  36          2HD1      ILE  36  -5.871   6.034   0.757
  279    H    ALA  37           H        ALA  37  -7.897   7.705   1.925
  280    HA   ALA  37           HA       ALA  37  -6.832   5.576   3.349
  281    HB1  ALA  37           1HB      ALA  37  -6.582   7.075   5.191
  282    HB2  ALA  37           2HB      ALA  37  -7.799   8.165   4.521
  283    HB3  ALA  37           3HB      ALA  37  -6.257   7.934   3.676
  284    HA   PRO  38           HA       PRO  38 -10.946   5.034   5.801
  285    HB2  PRO  38           1HB      PRO  38 -13.192   6.123   4.688
  286    HB3  PRO  38           2HB      PRO  38 -12.283   6.875   6.004
  287    HG2  PRO  38           1HG      PRO  38 -12.182   7.435   3.070
  288    HG3  PRO  38           2HG      PRO  38 -12.187   8.575   4.429
  289    HD2  PRO  38           1HD      PRO  38  -9.923   7.939   3.136
  290    HD3  PRO  38           2HD      PRO  38  -9.945   8.239   4.884
  291    H    MET  39           H        MET  39 -10.969   5.410   2.258
  292    HA   MET  39           HA       MET  39 -12.743   3.244   1.776
  293    HB2  MET  39           1HB      MET  39 -10.541   4.307   0.004
  294    HB3  MET  39           2HB      MET  39 -11.796   3.191  -0.508
  295    HG2  MET  39           1HG      MET  39 -12.157   6.034   0.399
  296    HG3  MET  39           2HG      MET  39 -12.370   5.397  -1.230
  297    HE1  MET  39           3HE      MET  39 -15.559   3.157  -0.803
  298    HE2  MET  39           1HE      MET  39 -13.915   2.594  -0.509
  299    HE3  MET  39           2HE      MET  39 -14.252   3.654  -1.876
  300    H    ILE  40           H        ILE  40  -9.166   3.295   1.550
  301    HA   ILE  40           HA       ILE  40  -8.728   0.584   1.264
  302    HB   ILE  40           HB       ILE  40  -7.112   2.836   1.799
  303   HG12  ILE  40          1HG1      ILE  40  -5.275   1.092   1.246
  304   HG13  ILE  40          2HG1      ILE  40  -6.619  -0.026   1.037
  305   HG21  ILE  40          1HG2      ILE  40  -6.492   0.604   3.695
  306   HG22  ILE  40          2HG2      ILE  40  -7.067   2.212   4.137
  307   HG23  ILE  40          3HG2      ILE  40  -5.483   2.017   3.384
  308   HD11  ILE  40          3HD1      ILE  40  -6.035   0.828  -1.096
  309   HD12  ILE  40          1HD1      ILE  40  -6.062   2.488  -0.499
  310   HD13  ILE  40          2HD1      ILE  40  -7.568   1.575  -0.637
  311    H    GLU  41           H        GLU  41  -9.519   2.401   4.134
  312    HA   GLU  41           HA       GLU  41  -9.065   0.429   6.074
  313    HB2  GLU  41           1HB      GLU  41  -9.664   2.919   6.327
  314    HB3  GLU  41           2HB      GLU  41 -11.330   2.415   6.136
  315    HG2  GLU  41           1HG      GLU  41  -9.480   1.429   8.294
  316    HG3  GLU  41           2HG      GLU  41 -10.629   2.748   8.485
  317    H    LYS  42           H        LYS  42 -12.050   1.203   4.249
  318    HA   LYS  42           HA       LYS  42 -13.528  -0.976   5.239
  319    HB2  LYS  42           1HB      LYS  42 -14.751   0.767   4.173
  320    HB3  LYS  42           2HB      LYS  42 -13.758   0.682   2.728
  321    HG2  LYS  42           1HG      LYS  42 -15.329  -1.731   3.432
  322    HG3  LYS  42           2HG      LYS  42 -16.216  -0.322   2.849
  323    HD2  LYS  42           1HD      LYS  42 -14.883  -0.272   0.835
  324    HD3  LYS  42           2HD      LYS  42 -13.880  -1.597   1.425
  325    HE2  LYS  42           1HE      LYS  42 -15.487  -2.424  -0.187
  326    HE3  LYS  42           2HE      LYS  42 -15.855  -3.066   1.412
  327    HZ1  LYS  42           3HZ      LYS  42 -17.836  -2.322   0.215
  328    HZ2  LYS  42           1HZ      LYS  42 -17.221  -0.749   0.154
  329    HZ3  LYS  42           2HZ      LYS  42 -17.607  -1.450   1.644
  330    H    PHE  43           H        PHE  43 -11.507  -0.631   2.379
  331    HA   PHE  43           HA       PHE  43 -11.923  -3.254   1.497
  332    HB2  PHE  43           1HB      PHE  43  -9.725  -1.311   0.894
  333    HB3  PHE  43           2HB      PHE  43  -9.814  -2.932   0.211
  334    HD1  PHE  43           1HD      PHE  43 -11.532   0.320   0.375
  335    HD2  PHE  43           2HD      PHE  43 -11.285  -3.463  -1.552
  336    HE1  PHE  43           1HE      PHE  43 -13.050   1.121  -1.386
  337    HE2  PHE  43           2HE      PHE  43 -12.806  -2.663  -3.315
  338    HZ   PHE  43           HZ       PHE  43 -13.692  -0.372  -3.232
  339    H    SER  44           H        SER  44  -9.954  -2.038   4.090
  340    HA   SER  44           HA       SER  44  -8.094  -4.210   4.010
  341    HB2  SER  44           1HB      SER  44  -7.255  -3.371   6.101
  342    HB3  SER  44           2HB      SER  44  -7.531  -1.991   5.060
  343    HG   SER  44           HG       SER  44  -9.722  -2.085   6.283
  344    H    GLU  45           H        GLU  45 -11.229  -3.626   5.135
  345    HA   GLU  45           HA       GLU  45 -11.368  -5.925   6.879
  346    HB2  GLU  45           1HB      GLU  45 -12.907  -3.894   6.969
  347    HB3  GLU  45           2HB      GLU  45 -13.659  -4.510   5.506
  348    HG2  GLU  45           1HG      GLU  45 -14.963  -5.125   7.431
  349    HG3  GLU  45           2HG      GLU  45 -14.260  -6.565   6.695
  350    H    GLN  46           H        GLN  46 -11.582  -5.149   3.554
  351    HA   GLN  46           HA       GLN  46 -12.746  -7.668   2.778
  352    HB2  GLN  46           1HB      GLN  46 -11.516  -5.687   0.901
  353    HB3  GLN  46           2HB      GLN  46 -12.783  -6.857   0.571
  354    HG2  GLN  46           1HG      GLN  46 -13.003  -4.341   2.206
  355    HG3  GLN  46           2HG      GLN  46 -13.725  -4.673   0.634
  356   HE21  GLN  46          1HE2      GLN  46 -15.495  -6.075   0.492
  357   HE22  GLN  46          2HE2      GLN  46 -16.461  -6.459   1.875
  358    H    TYR  47           H        TYR  47  -9.776  -6.952   3.803
  359    HA   TYR  47           HA       TYR  47  -8.456  -8.875   1.986
  360    HB2  TYR  47           1HB      TYR  47  -7.145  -7.489   4.334
  361    HB3  TYR  47           2HB      TYR  47  -6.359  -8.476   3.113
  362    HD1  TYR  47           1HD      TYR  47  -8.775  -6.154   1.792
  363    HD2  TYR  47           2HD      TYR  47  -4.755  -6.601   3.065
  364    HE1  TYR  47           1HE      TYR  47  -8.164  -4.113   0.561
  365    HE2  TYR  47           2HE      TYR  47  -4.137  -4.556   1.852
  366    HH   TYR  47           HH       TYR  47  -6.502  -2.437   0.492
  367    HA   PRO  48           HA       PRO  48  -9.497 -11.775   5.318
  368    HB2  PRO  48           1HB      PRO  48  -9.111 -13.849   3.321
  369    HB3  PRO  48           2HB      PRO  48 -10.584 -13.403   4.180
  370    HG2  PRO  48           1HG      PRO  48 -10.231 -12.978   1.519
  371    HG3  PRO  48           2HG      PRO  48 -11.258 -11.953   2.536
  372    HD2  PRO  48           1HD      PRO  48  -8.466 -11.475   1.569
  373    HD3  PRO  48           2HD      PRO  48  -9.828 -10.338   1.686
  374    H    GLN  49           H        GLN  49  -6.965 -12.299   2.840
  375    HA   GLN  49           HA       GLN  49  -5.432 -13.702   4.916
  376    HB2  GLN  49           1HB      GLN  49  -4.544 -15.199   3.360
  377    HB3  GLN  49           2HB      GLN  49  -6.251 -15.088   2.980
  378    HG2  GLN  49           1HG      GLN  49  -3.981 -13.805   1.502
  379    HG3  GLN  49           2HG      GLN  49  -4.972 -15.156   0.964
  380   HE21  GLN  49          1HE2      GLN  49  -4.683 -11.774   1.261
  381   HE22  GLN  49          2HE2      GLN  49  -6.123 -11.341   0.411
  382    H    ALA  50           H        ALA  50  -5.462 -10.797   3.561
  383    HA   ALA  50           HA       ALA  50  -2.567 -10.695   3.084
  384    HB1  ALA  50           1HB      ALA  50  -3.789 -10.224   1.060
  385    HB2  ALA  50           2HB      ALA  50  -3.022  -8.747   1.640
  386    HB3  ALA  50           3HB      ALA  50  -4.750  -9.000   1.885
  387    H    ASP  51           H        ASP  51  -1.453  -8.868   3.767
  388    HA   ASP  51           HA       ASP  51  -2.686  -7.555   6.068
  389    HB2  ASP  51           1HB      ASP  51   0.114  -8.287   5.390
  390    HB3  ASP  51           2HB      ASP  51  -0.138  -6.852   6.380
  391    H    PHE  52           H        PHE  52  -3.086  -5.503   6.134
  392    HA   PHE  52           HA       PHE  52  -2.507  -3.883   3.759
  393    HB2  PHE  52           1HB      PHE  52  -4.443  -2.488   5.017
  394    HB3  PHE  52           2HB      PHE  52  -4.786  -3.809   3.894
  395    HD1  PHE  52           1HD      PHE  52  -5.460  -6.016   4.758
  396    HD2  PHE  52           2HD      PHE  52  -4.868  -2.711   7.342
  397    HE1  PHE  52           1HE      PHE  52  -6.688  -7.190   6.529
  398    HE2  PHE  52           2HE      PHE  52  -6.098  -3.867   9.120
  399    HZ   PHE  52           HZ       PHE  52  -7.009  -6.114   8.719
  400    H    TYR  53           H        TYR  53  -1.010  -2.329   3.949
  401    HA   TYR  53           HA       TYR  53  -0.905  -0.846   6.489
  402    HB2  TYR  53           1HB      TYR  53   1.577  -1.523   4.900
  403    HB3  TYR  53           2HB      TYR  53   1.484  -0.789   6.505
  404    HD1  TYR  53           2HD      TYR  53   0.335  -2.256   8.332
  405    HD2  TYR  53           1HD      TYR  53   2.018  -3.800   4.757
  406    HE1  TYR  53           2HE      TYR  53   0.575  -4.448   9.408
  407    HE2  TYR  53           1HE      TYR  53   2.264  -6.008   5.823
  408    HH   TYR  53           HH       TYR  53   2.486  -6.895   8.167
  409    H    LYS  54           H        LYS  54  -0.489   1.365   6.285
  410    HA   LYS  54           HA       LYS  54  -0.067   2.401   3.541
  411    HB2  LYS  54           1HB      LYS  54  -1.813   3.797   5.579
  412    HB3  LYS  54           2HB      LYS  54  -1.575   4.254   3.904
  413    HG2  LYS  54           1HG      LYS  54  -3.053   1.813   4.878
  414    HG3  LYS  54           2HG      LYS  54  -3.789   3.296   4.308
  415    HD2  LYS  54           1HD      LYS  54  -3.692   2.607   2.179
  416    HD3  LYS  54           2HD      LYS  54  -1.953   2.238   2.354
  417    HE2  LYS  54           1HE      LYS  54  -2.612   0.106   3.507
  418    HE3  LYS  54           2HE      LYS  54  -4.278   0.454   3.050
  419    HZ1  LYS  54           3HZ      LYS  54  -1.996   0.039   1.199
  420    HZ2  LYS  54           1HZ      LYS  54  -3.566   0.455   0.721
  421    HZ3  LYS  54           2HZ      LYS  54  -3.276  -1.033   1.471
  422    H    LEU  55           H        LEU  55   1.758   3.688   3.460
  423    HA   LEU  55           HA       LEU  55   2.857   4.513   6.073
  424    HB2  LEU  55           1HB      LEU  55   4.317   4.667   3.467
  425    HB3  LEU  55           2HB      LEU  55   4.967   4.717   5.088
  426    HG   LEU  55           HG       LEU  55   3.950   2.367   3.574
  427   HD11  LEU  55          1HD1      LEU  55   6.351   2.698   5.317
  428   HD12  LEU  55          2HD1      LEU  55   6.344   3.098   3.599
  429   HD13  LEU  55          3HD1      LEU  55   6.046   1.438   4.121
  430   HD21  LEU  55          3HD2      LEU  55   2.764   2.243   5.664
  431   HD22  LEU  55          1HD2      LEU  55   4.250   2.566   6.555
  432   HD23  LEU  55          2HD2      LEU  55   4.069   1.058   5.658
  433    H    ASP  56           H        ASP  56   4.085   6.645   6.054
  434    HA   ASP  56           HA       ASP  56   2.757   8.628   4.337
  435    HB2  ASP  56           1HB      ASP  56   3.340  10.222   6.285
  436    HB3  ASP  56           2HB      ASP  56   1.942   9.174   6.457
  437    H    VAL  57           H        VAL  57   4.090   9.632   2.995
  438    HA   VAL  57           HA       VAL  57   6.828   8.907   2.896
  439    HB   VAL  57           HB       VAL  57   7.019  10.452   1.009
  440   HG11  VAL  57          1HG1      VAL  57   4.480   8.827   0.970
  441   HG12  VAL  57          2HG1      VAL  57   6.105   8.238   0.621
  442   HG13  VAL  57          3HG1      VAL  57   5.345   9.417  -0.449
  443   HG21  VAL  57          3HG2      VAL  57   4.183  11.260   1.648
  444   HG22  VAL  57          1HG2      VAL  57   5.147  11.813   0.279
  445   HG23  VAL  57          2HG2      VAL  57   5.610  12.257   1.924
  446    H    ASP  58           H        ASP  58   5.369  11.227   4.828
  447    HA   ASP  58           HA       ASP  58   7.364  13.261   4.541
  448    HB2  ASP  58           1HB      ASP  58   6.292  14.385   6.400
  449    HB3  ASP  58           2HB      ASP  58   5.087  13.810   5.259
  450    H    GLU  59           H        GLU  59   6.872  10.475   6.575
  451    HA   GLU  59           HA       GLU  59   9.588  10.947   7.596
  452    HB2  GLU  59           1HB      GLU  59   8.978  10.151   9.587
  453    HB3  GLU  59           2HB      GLU  59   7.327  10.257   9.006
  454    HG2  GLU  59           1HG      GLU  59   7.197   8.004   8.555
  455    HG3  GLU  59           2HG      GLU  59   8.952   7.803   8.541
  456    H    LEU  60           H        LEU  60   7.520   8.607   5.945
  457    HA   LEU  60           HA       LEU  60   9.778   6.857   5.401
  458    HB2  LEU  60           1HB      LEU  60   6.861   6.733   4.618
  459    HB3  LEU  60           2HB      LEU  60   8.059   5.709   3.848
  460    HG   LEU  60           HG       LEU  60   6.999   4.427   5.527
  461   HD11  LEU  60          1HD1      LEU  60   9.674   5.311   6.584
  462   HD12  LEU  60          2HD1      LEU  60   9.411   4.098   5.329
  463   HD13  LEU  60          3HD1      LEU  60   8.843   3.807   6.975
  464   HD21  LEU  60          3HD2      LEU  60   6.085   6.280   6.841
  465   HD22  LEU  60          1HD2      LEU  60   7.688   6.575   7.507
  466   HD23  LEU  60          2HD2      LEU  60   6.860   5.058   7.851
  467    H    GLY  61           H        GLY  61  10.561   9.188   4.460
  468    HA2  GLY  61           1HA      GLY  61   9.725   9.648   1.739
  469    HA3  GLY  61           2HA      GLY  61  11.041  10.458   2.580
  470    H    ASP  62           H        ASP  62  12.439   8.067   3.325
  471    HA   ASP  62           HA       ASP  62  14.019   7.801   0.987
  472    HB2  ASP  62           1HB      ASP  62  15.393   6.270   2.277
  473    HB3  ASP  62           2HB      ASP  62  14.965   7.657   3.268
  474    H    VAL  63           H        VAL  63  11.740   5.595   2.604
  475    HA   VAL  63           HA       VAL  63  12.088   3.469   0.761
  476    HB   VAL  63           HB       VAL  63  11.077   2.964   2.880
  477   HG11  VAL  63          1HG1      VAL  63   8.884   4.840   2.092
  478   HG12  VAL  63          2HG1      VAL  63  10.050   5.048   3.400
  479   HG13  VAL  63          3HG1      VAL  63   8.854   3.753   3.482
  480   HG21  VAL  63          3HG2      VAL  63   9.083   2.697   0.655
  481   HG22  VAL  63          1HG2      VAL  63   9.024   1.806   2.176
  482   HG23  VAL  63          2HG2      VAL  63  10.367   1.553   1.058
  483    H    ALA  64           H        ALA  64   9.925   6.245   0.835
  484    HA   ALA  64           HA       ALA  64   8.409   5.660  -1.432
  485    HB1  ALA  64           1HB      ALA  64   9.349   8.375  -0.519
  486    HB2  ALA  64           2HB      ALA  64   7.934   7.521   0.097
  487    HB3  ALA  64           3HB      ALA  64   7.984   8.042  -1.586
  488    H    GLN  65           H        GLN  65  11.660   6.981  -1.114
  489    HA   GLN  65           HA       GLN  65  11.915   7.571  -3.914
  490    HB2  GLN  65           1HB      GLN  65  14.016   7.343  -1.746
  491    HB3  GLN  65           2HB      GLN  65  14.290   7.979  -3.364
  492    HG2  GLN  65           1HG      GLN  65  12.448   9.153  -1.292
  493    HG3  GLN  65           2HG      GLN  65  14.046   9.753  -1.720
  494   HE21  GLN  65          1HE2      GLN  65  10.730   9.532  -2.647
  495   HE22  GLN  65          2HE2      GLN  65  10.806  10.638  -3.971
  496    H    LYS  66           H        LYS  66  12.602   4.883  -1.813
  497    HA   LYS  66           HA       LYS  66  14.299   3.353  -3.366
  498    HB2  LYS  66           1HB      LYS  66  12.044   2.492  -1.560
  499    HB3  LYS  66           2HB      LYS  66  13.300   1.431  -2.158
  500    HG2  LYS  66           1HG      LYS  66  13.754   3.813  -0.393
  501    HG3  LYS  66           2HG      LYS  66  13.644   2.145   0.164
  502    HD2  LYS  66           1HD      LYS  66  15.586   1.585  -1.258
  503    HD3  LYS  66           2HD      LYS  66  15.719   3.290  -1.697
  504    HE2  LYS  66           1HE      LYS  66  16.152   3.909   0.576
  505    HE3  LYS  66           2HE      LYS  66  15.811   2.273   1.141
  506    HZ1  LYS  66           3HZ      LYS  66  18.189   2.725   1.018
  507    HZ2  LYS  66           1HZ      LYS  66  18.062   3.046  -0.639
  508    HZ3  LYS  66           2HZ      LYS  66  17.750   1.490  -0.052
  509    H    ASN  67           H        ASN  67  10.793   3.528  -3.290
  510    HA   ASN  67           HA       ASN  67  10.600   1.624  -5.483
  511    HB2  ASN  67           1HB      ASN  67   8.486   2.853  -3.704
  512    HB3  ASN  67           2HB      ASN  67   8.171   1.660  -4.959
  513   HD21  ASN  67          1HD2      ASN  67   9.625   2.223  -1.830
  514   HD22  ASN  67          2HD2      ASN  67   9.773   0.557  -1.390
  515    H    GLU  68           H        GLU  68  11.405   4.578  -5.586
  516    HA   GLU  68           HA       GLU  68  11.093   6.430  -6.860
  517    HB2  GLU  68           1HB      GLU  68  10.299   4.217  -8.736
  518    HB3  GLU  68           2HB      GLU  68  10.494   5.888  -9.253
  519    HG2  GLU  68           1HG      GLU  68  12.685   4.490  -7.785
  520    HG3  GLU  68           2HG      GLU  68  12.468   4.255  -9.513
  521    H    VAL  69           H        VAL  69   9.140   6.461  -5.143
  522    HA   VAL  69           HA       VAL  69   6.538   6.479  -6.392
  523    HB   VAL  69           HB       VAL  69   7.419   7.328  -3.629
  524   HG11  VAL  69          1HG1      VAL  69   5.043   7.286  -3.039
  525   HG12  VAL  69          2HG1      VAL  69   4.632   6.970  -4.725
  526   HG13  VAL  69          3HG1      VAL  69   5.382   8.501  -4.274
  527   HG21  VAL  69          3HG2      VAL  69   7.708   4.953  -4.057
  528   HG22  VAL  69          1HG2      VAL  69   6.037   4.833  -4.606
  529   HG23  VAL  69          2HG2      VAL  69   6.386   5.223  -2.921
  530    H    SER  70           H        SER  70   5.971   8.082  -7.680
  531    HA   SER  70           HA       SER  70   6.725  10.823  -6.921
  532    HB2  SER  70           1HB      SER  70   6.444  11.335  -9.379
  533    HB3  SER  70           2HB      SER  70   7.795  10.269  -8.995
  534    HG   SER  70           HG       SER  70   6.671   9.411 -10.728
  535    H    ALA  71           H        ALA  71   4.247   8.755  -6.787
  536    HA   ALA  71           HA       ALA  71   2.245  10.851  -7.264
  537    HB1  ALA  71           1HB      ALA  71   1.899   7.923  -7.887
  538    HB2  ALA  71           2HB      ALA  71   2.157   9.198  -9.077
  539    HB3  ALA  71           3HB      ALA  71   0.689   9.186  -8.101
  540    H    MET  72           H        MET  72   0.363  10.727  -5.937
  541    HA   MET  72           HA       MET  72   0.606   8.940  -3.635
  542    HB2  MET  72           1HB      MET  72  -0.260  10.931  -2.236
  543    HB3  MET  72           2HB      MET  72   1.441  10.881  -2.664
  544    HG2  MET  72           1HG      MET  72   0.862  13.083  -3.041
  545    HG3  MET  72           2HG      MET  72   0.776  12.370  -4.648
  546    HE1  MET  72           3HE      MET  72  -0.643  14.266  -5.682
  547    HE2  MET  72           1HE      MET  72  -0.490  15.151  -4.162
  548    HE3  MET  72           2HE      MET  72  -2.072  14.964  -4.919
  549    HA   PRO  73           HA       PRO  73  -0.266   7.899  -2.353
  550    HB2  PRO  73           1HB      PRO  73  -1.781   5.743  -1.912
  551    HB3  PRO  73           2HB      PRO  73  -2.131   7.282  -1.115
  552    HG2  PRO  73           1HG      PRO  73  -3.444   6.043  -3.500
  553    HG3  PRO  73           2HG      PRO  73  -4.181   6.889  -2.130
  554    HD2  PRO  73           1HD      PRO  73  -3.681   8.040  -4.581
  555    HD3  PRO  73           2HD      PRO  73  -3.842   8.940  -3.063
  556    H    THR  74           H        THR  74   0.689   5.648  -2.541
  557    HA   THR  74           HA       THR  74   0.490   4.604  -5.274
  558    HB   THR  74           HB       THR  74   3.004   4.868  -3.613
  559    HG1  THR  74           1HG      THR  74   2.319   6.755  -4.794
  560   HG21  THR  74          3HG2      THR  74   3.000   2.731  -4.799
  561   HG22  THR  74          1HG2      THR  74   4.169   3.841  -5.515
  562   HG23  THR  74          2HG2      THR  74   2.618   3.559  -6.309
  563    H    LEU  75           H        LEU  75  -0.284   2.610  -5.269
  564    HA   LEU  75           HA       LEU  75  -0.255   1.097  -2.757
  565    HB2  LEU  75           1HB      LEU  75  -2.149   1.344  -5.036
  566    HB3  LEU  75           2HB      LEU  75  -2.068  -0.183  -4.187
  567    HG   LEU  75           HG       LEU  75  -3.891   1.289  -3.388
  568   HD11  LEU  75          1HD1      LEU  75  -3.014  -0.386  -1.905
  569   HD12  LEU  75          2HD1      LEU  75  -3.389   1.075  -0.991
  570   HD13  LEU  75          3HD1      LEU  75  -1.717   0.693  -1.399
  571   HD21  LEU  75          3HD2      LEU  75  -3.249   3.231  -1.952
  572   HD22  LEU  75          1HD2      LEU  75  -2.951   3.461  -3.676
  573   HD23  LEU  75          2HD2      LEU  75  -1.612   3.088  -2.594
  574    H    LEU  76           H        LEU  76   1.285  -0.407  -2.720
  575    HA   LEU  76           HA       LEU  76   1.592  -2.058  -5.138
  576    HB2  LEU  76           1HB      LEU  76   3.844  -1.531  -3.202
  577    HB3  LEU  76           2HB      LEU  76   3.942  -2.196  -4.819
  578    HG   LEU  76           HG       LEU  76   3.251   0.677  -4.199
  579   HD11  LEU  76          1HD1      LEU  76   5.511   1.191  -4.957
  580   HD12  LEU  76          2HD1      LEU  76   5.852  -0.530  -5.136
  581   HD13  LEU  76          3HD1      LEU  76   5.545   0.147  -3.536
  582   HD21  LEU  76          3HD2      LEU  76   3.657   1.026  -6.576
  583   HD22  LEU  76          1HD2      LEU  76   2.347  -0.126  -6.316
  584   HD23  LEU  76          2HD2      LEU  76   3.947  -0.701  -6.785
  585    H    LEU  77           H        LEU  77   0.699  -3.978  -4.645
  586    HA   LEU  77           HA       LEU  77   1.142  -5.011  -1.959
  587    HB2  LEU  77           1HB      LEU  77  -0.069  -6.963  -3.606
  588    HB3  LEU  77           2HB      LEU  77  -0.752  -6.097  -2.251
  589    HG   LEU  77           HG       LEU  77  -0.798  -5.076  -5.094
  590   HD11  LEU  77          1HD1      LEU  77  -2.815  -6.596  -3.439
  591   HD12  LEU  77          2HD1      LEU  77  -2.065  -7.113  -4.954
  592   HD13  LEU  77          3HD1      LEU  77  -3.202  -5.765  -4.945
  593   HD21  LEU  77          3HD2      LEU  77  -2.393  -3.482  -4.326
  594   HD22  LEU  77          1HD2      LEU  77  -1.011  -3.387  -3.234
  595   HD23  LEU  77          2HD2      LEU  77  -2.478  -4.232  -2.733
  596    H    PHE  78           H        PHE  78   2.640  -6.402  -1.445
  597    HA   PHE  78           HA       PHE  78   4.281  -7.466  -3.634
  598    HB2  PHE  78           1HB      PHE  78   4.962  -6.369  -0.947
  599    HB3  PHE  78           2HB      PHE  78   5.998  -7.614  -1.623
  600    HD1  PHE  78           2HD      PHE  78   4.566  -4.258  -2.318
  601    HD2  PHE  78           1HD      PHE  78   7.645  -7.070  -3.169
  602    HE1  PHE  78           2HE      PHE  78   5.773  -2.545  -3.609
  603    HE2  PHE  78           1HE      PHE  78   8.855  -5.362  -4.457
  604    HZ   PHE  78           HZ       PHE  78   7.918  -3.096  -4.681
  605    H    LYS  79           H        LYS  79   5.273  -9.533  -3.331
  606    HA   LYS  79           HA       LYS  79   4.175 -11.186  -1.188
  607    HB2  LYS  79           1HB      LYS  79   2.676 -11.513  -3.040
  608    HB3  LYS  79           2HB      LYS  79   4.019 -11.757  -4.145
  609    HG2  LYS  79           1HG      LYS  79   4.570 -13.834  -3.000
  610    HG3  LYS  79           2HG      LYS  79   3.269 -13.556  -1.840
  611    HD2  LYS  79           1HD      LYS  79   1.630 -13.678  -3.638
  612    HD3  LYS  79           2HD      LYS  79   2.924 -13.914  -4.812
  613    HE2  LYS  79           1HE      LYS  79   3.558 -15.992  -3.667
  614    HE3  LYS  79           2HE      LYS  79   2.236 -15.758  -2.527
  615    HZ1  LYS  79           3HZ      LYS  79   0.675 -15.913  -4.350
  616    HZ2  LYS  79           1HZ      LYS  79   1.642 -17.299  -4.290
  617    HZ3  LYS  79           2HZ      LYS  79   1.938 -16.114  -5.459
  618    H    ASN  80           H        ASN  80   5.824 -12.126  -0.226
  619    HA   ASN  80           HA       ASN  80   7.979 -12.705   0.252
  620    HB2  ASN  80           1HB      ASN  80   8.644 -14.498  -1.783
  621    HB3  ASN  80           2HB      ASN  80   7.898 -14.877  -0.240
  622   HD21  ASN  80          1HD2      ASN  80   7.358 -14.349  -3.637
  623   HD22  ASN  80          2HD2      ASN  80   5.761 -15.011  -3.690
  624    H    GLY  81           H        GLY  81   8.110 -10.306  -0.980
  625    HA2  GLY  81           1HA      GLY  81   9.683  -8.892  -1.861
  626    HA3  GLY  81           2HA      GLY  81  10.806 -10.240  -1.814
  627    H    LYS  82           H        LYS  82   8.032 -10.954  -3.627
  628    HA   LYS  82           HA       LYS  82   9.564 -10.560  -6.104
  629    HB2  LYS  82           1HB      LYS  82   7.450 -12.575  -5.338
  630    HB3  LYS  82           2HB      LYS  82   8.047 -12.376  -6.971
  631    HG2  LYS  82           1HG      LYS  82   9.732 -13.130  -4.597
  632    HG3  LYS  82           2HG      LYS  82   9.103 -14.254  -5.805
  633    HD2  LYS  82           1HD      LYS  82  10.351 -13.061  -7.548
  634    HD3  LYS  82           2HD      LYS  82  10.990 -11.960  -6.328
  635    HE2  LYS  82           1HE      LYS  82  12.093 -13.813  -5.208
  636    HE3  LYS  82           2HE      LYS  82  11.417 -14.942  -6.381
  637    HZ1  LYS  82           3HZ      LYS  82  13.273 -12.721  -7.030
  638    HZ2  LYS  82           1HZ      LYS  82  12.663 -13.863  -8.118
  639    HZ3  LYS  82           2HZ      LYS  82  13.716 -14.344  -6.884
  640    H    GLU  83           H        GLU  83   7.217  -9.195  -4.376
  641    HA   GLU  83           HA       GLU  83   5.550  -7.737  -4.772
  642    HB2  GLU  83           1HB      GLU  83   7.221  -6.959  -6.548
  643    HB3  GLU  83           2HB      GLU  83   6.269  -7.877  -7.699
  644    HG2  GLU  83           1HG      GLU  83   4.322  -6.475  -7.183
  645    HG3  GLU  83           2HG      GLU  83   5.314  -5.536  -6.066
  646    H    VAL  84           H        VAL  84   3.464  -7.516  -6.261
  647    HA   VAL  84           HA       VAL  84   2.723  -9.987  -7.535
  648    HB   VAL  84           HB       VAL  84   2.131 -10.001  -4.999
  649   HG11  VAL  84          1HG1      VAL  84   0.980  -7.896  -4.899
  650   HG12  VAL  84          2HG1      VAL  84  -0.152  -9.205  -4.555
  651   HG13  VAL  84          3HG1      VAL  84  -0.162  -8.425  -6.133
  652   HG21  VAL  84          3HG2      VAL  84   1.565 -11.740  -6.587
  653   HG22  VAL  84          1HG2      VAL  84   0.158 -10.816  -7.109
  654   HG23  VAL  84          2HG2      VAL  84   0.235 -11.451  -5.465
  655    H    ALA  85           H        ALA  85   1.992  -6.660  -6.691
  656    HA   ALA  85           HA       ALA  85   0.996  -6.173  -9.359
  657    HB1  ALA  85           1HB      ALA  85  -0.872  -5.759  -7.031
  658    HB2  ALA  85           2HB      ALA  85  -1.062  -6.968  -8.302
  659    HB3  ALA  85           3HB      ALA  85  -1.166  -5.246  -8.694
  660    H    LYS  86           H        LYS  86   0.498  -3.882  -9.703
  661    HA   LYS  86           HA       LYS  86   1.461  -2.090  -7.641
  662    HB2  LYS  86           1HB      LYS  86   3.504  -2.448  -8.790
  663    HB3  LYS  86           2HB      LYS  86   2.721  -2.381 -10.362
  664    HG2  LYS  86           1HG      LYS  86   2.404  -0.022 -10.184
  665    HG3  LYS  86           2HG      LYS  86   2.941  -0.024  -8.505
  666    HD2  LYS  86           1HD      LYS  86   5.170  -0.742  -9.226
  667    HD3  LYS  86           2HD      LYS  86   4.628  -0.722 -10.905
  668    HE2  LYS  86           1HE      LYS  86   4.218   1.660 -10.777
  669    HE3  LYS  86           2HE      LYS  86   4.644   1.672  -9.068
  670    HZ1  LYS  86           3HZ      LYS  86   6.458   1.065 -11.339
  671    HZ2  LYS  86           1HZ      LYS  86   6.886   0.939  -9.709
  672    HZ3  LYS  86           2HZ      LYS  86   6.488   2.443 -10.363
  673    H    VAL  87           H        VAL  87   0.081  -0.472  -7.437
  674    HA   VAL  87           HA       VAL  87  -1.132   0.661  -9.878
  675    HB   VAL  87           HB       VAL  87  -2.471   0.727  -7.169
  676   HG11  VAL  87          1HG1      VAL  87  -3.474   1.287  -9.955
  677   HG12  VAL  87          2HG1      VAL  87  -3.117   2.481  -8.706
  678   HG13  VAL  87          3HG1      VAL  87  -4.449   1.342  -8.487
  679   HG21  VAL  87          3HG2      VAL  87  -3.116  -1.180  -9.418
  680   HG22  VAL  87          1HG2      VAL  87  -3.974  -1.036  -7.880
  681   HG23  VAL  87          2HG2      VAL  87  -2.307  -1.621  -7.915
  682    H    VAL  88           H        VAL  88  -0.968   2.866 -10.060
  683    HA   VAL  88           HA       VAL  88   0.577   4.149  -7.903
  684    HB   VAL  88           HB       VAL  88   0.980   4.954 -10.748
  685   HG11  VAL  88          1HG1      VAL  88   3.245   5.438  -9.908
  686   HG12  VAL  88          2HG1      VAL  88   2.761   4.845  -8.318
  687   HG13  VAL  88          3HG1      VAL  88   1.992   6.281  -8.996
  688   HG21  VAL  88          3HG2      VAL  88   2.647   3.274 -11.116
  689   HG22  VAL  88          1HG2      VAL  88   1.141   2.465 -10.673
  690   HG23  VAL  88          2HG2      VAL  88   2.438   2.637  -9.486
  691    H    GLY  89           H        GLY  89  -1.531   4.935  -7.195
  692    HA2  GLY  89           1HA      GLY  89  -1.927   7.582  -7.600
  693    HA3  GLY  89           2HA      GLY  89  -2.916   6.841  -8.852
  694    H    ALA  90           H        ALA  90  -4.511   8.121  -7.461
  695    HA   ALA  90           HA       ALA  90  -5.329   6.948  -4.985
  696    HB1  ALA  90           1HB      ALA  90  -6.945   8.729  -6.802
  697    HB2  ALA  90           2HB      ALA  90  -5.747   9.329  -5.656
  698    HB3  ALA  90           3HB      ALA  90  -7.176   8.469  -5.073
  699    H    ASN  91           H        ASN  91  -5.818   4.812  -5.154
  700    HA   ASN  91           HA       ASN  91  -7.772   4.042  -7.217
  701    HB2  ASN  91           1HB      ASN  91  -6.661   1.855  -7.327
  702    HB3  ASN  91           2HB      ASN  91  -5.550   3.156  -7.735
  703   HD21  ASN  91          1HD2      ASN  91  -5.106   0.409  -6.749
  704   HD22  ASN  91          2HD2      ASN  91  -4.144   0.579  -5.326
  705    HA   PRO  92           HA       PRO  92  -9.483   2.718  -3.045
  706    HB2  PRO  92           1HB      PRO  92 -11.935   4.015  -4.007
  707    HB3  PRO  92           2HB      PRO  92 -11.104   4.205  -2.463
  708    HG2  PRO  92           1HG      PRO  92 -11.139   6.146  -4.350
  709    HG3  PRO  92           2HG      PRO  92  -9.782   5.918  -3.233
  710    HD2  PRO  92           1HD      PRO  92 -10.033   5.130  -6.107
  711    HD3  PRO  92           2HD      PRO  92  -8.620   5.743  -5.225
  712    H    ALA  93           H        ALA  93 -10.868   2.936  -6.313
  713    HA   ALA  93           HA       ALA  93 -12.355   0.464  -5.929
  714    HB1  ALA  93           1HB      ALA  93 -13.249   0.852  -8.149
  715    HB2  ALA  93           2HB      ALA  93 -12.125   2.188  -8.392
  716    HB3  ALA  93           3HB      ALA  93 -13.391   2.311  -7.170
  717    H    ALA  94           H        ALA  94  -9.598   1.657  -7.784
  718    HA   ALA  94           HA       ALA  94  -9.206  -0.781  -9.224
  719    HB1  ALA  94           1HB      ALA  94  -7.470   1.651  -8.890
  720    HB2  ALA  94           2HB      ALA  94  -8.453   1.196 -10.277
  721    HB3  ALA  94           3HB      ALA  94  -7.016   0.259  -9.870
  722    H    ILE  95           H        ILE  95  -8.260   0.288  -6.053
  723    HA   ILE  95           HA       ILE  95  -6.116  -1.446  -5.620
  724    HB   ILE  95           HB       ILE  95  -7.142   0.130  -3.866
  725   HG12  ILE  95          1HG1      ILE  95  -6.282  -1.184  -2.024
  726   HG13  ILE  95          2HG1      ILE  95  -6.538  -2.684  -2.911
  727   HG21  ILE  95          1HG2      ILE  95  -8.770  -0.838  -2.329
  728   HG22  ILE  95          2HG2      ILE  95  -8.890  -2.276  -3.354
  729   HG23  ILE  95          3HG2      ILE  95  -9.435  -0.704  -3.958
  730   HD11  ILE  95          3HD1      ILE  95  -4.774  -2.144  -4.434
  731   HD12  ILE  95          1HD1      ILE  95  -4.177  -1.968  -2.785
  732   HD13  ILE  95          2HD1      ILE  95  -4.594  -0.538  -3.729
  733    H    LYS  96           H        LYS  96  -9.558  -1.975  -5.797
  734    HA   LYS  96           HA       LYS  96  -9.616  -4.624  -4.917
  735    HB2  LYS  96           1HB      LYS  96 -11.643  -3.305  -5.097
  736    HB3  LYS  96           2HB      LYS  96 -11.441  -3.180  -6.841
  737    HG2  LYS  96           1HG      LYS  96 -13.112  -4.820  -6.378
  738    HG3  LYS  96           2HG      LYS  96 -11.669  -5.624  -6.993
  739    HD2  LYS  96           1HD      LYS  96 -12.379  -6.958  -5.189
  740    HD3  LYS  96           2HD      LYS  96 -11.027  -6.002  -4.558
  741    HE2  LYS  96           1HE      LYS  96 -12.500  -4.526  -3.423
  742    HE3  LYS  96           2HE      LYS  96 -13.912  -5.188  -4.244
  743    HZ1  LYS  96           3HZ      LYS  96 -12.208  -6.636  -2.287
  744    HZ2  LYS  96           1HZ      LYS  96 -13.557  -7.276  -3.079
  745    HZ3  LYS  96           2HZ      LYS  96 -13.748  -6.006  -1.983
  746    H    GLN  97           H        GLN  97  -8.878  -3.204  -8.027
  747    HA   GLN  97           HA       GLN  97  -8.834  -5.486  -9.620
  748    HB2  GLN  97           1HB      GLN  97  -8.529  -3.188 -10.486
  749    HB3  GLN  97           2HB      GLN  97  -6.963  -3.098  -9.700
  750    HG2  GLN  97           1HG      GLN  97  -7.558  -5.213 -11.741
  751    HG3  GLN  97           2HG      GLN  97  -7.054  -3.597 -12.215
  752   HE21  GLN  97          1HE2      GLN  97  -5.233  -3.210 -10.003
  753   HE22  GLN  97          2HE2      GLN  97  -3.863  -4.240 -10.284
  754    H    ALA  98           H        ALA  98  -6.179  -4.026  -7.740
  755    HA   ALA  98           HA       ALA  98  -4.456  -6.284  -8.174
  756    HB1  ALA  98           1HB      ALA  98  -4.153  -4.000  -6.208
  757    HB2  ALA  98           2HB      ALA  98  -3.569  -3.990  -7.869
  758    HB3  ALA  98           3HB      ALA  98  -2.873  -5.115  -6.700
  759    H    ILE  99           H        ILE  99  -6.679  -5.310  -5.799
  760    HA   ILE  99           HA       ILE  99  -5.682  -6.885  -3.663
  761    HB   ILE  99           HB       ILE  99  -7.483  -4.796  -3.899
  762   HG12  ILE  99          1HG1      ILE  99  -6.017  -5.048  -2.052
  763   HG13  ILE  99          2HG1      ILE  99  -7.659  -5.068  -1.407
  764   HG21  ILE  99          1HG2      ILE  99  -9.257  -6.547  -4.314
  765   HG22  ILE  99          2HG2      ILE  99  -9.554  -5.336  -3.061
  766   HG23  ILE  99          3HG2      ILE  99  -9.053  -6.975  -2.612
  767   HD11  ILE  99          3HD1      ILE  99  -6.921  -6.891  -0.323
  768   HD12  ILE  99          1HD1      ILE  99  -5.660  -7.214  -1.517
  769   HD13  ILE  99          2HD1      ILE  99  -7.328  -7.682  -1.860
  770    H    ALA 100           H        ALA 100  -8.265  -7.340  -6.006
  771    HA   ALA 100           HA       ALA 100  -9.068  -9.788  -4.704
  772    HB1  ALA 100           1HB      ALA 100 -10.139  -8.516  -7.224
  773    HB2  ALA 100           2HB      ALA 100 -10.793  -8.305  -5.600
  774    HB3  ALA 100           3HB      ALA 100 -10.848  -9.889  -6.374
  775    H    ALA 101           H        ALA 101  -7.483  -8.749  -7.676
  776    HA   ALA 101           HA       ALA 101  -7.401 -11.310  -8.883
  777    HB1  ALA 101           1HB      ALA 101  -5.598  -8.944  -9.371
  778    HB2  ALA 101           2HB      ALA 101  -7.142  -9.241 -10.167
  779    HB3  ALA 101           3HB      ALA 101  -5.791 -10.343 -10.427
  780    H    ASN 102           H        ASN 102  -5.245  -9.597  -6.669
  781    HA   ASN 102           HA       ASN 102  -3.398 -11.885  -6.875
  782    HB2  ASN 102           1HB      ASN 102  -2.912  -9.169  -5.657
  783    HB3  ASN 102           2HB      ASN 102  -1.720 -10.459  -5.813
  784   HD21  ASN 102          1HD2      ASN 102  -3.441  -7.962  -7.394
  785   HD22  ASN 102          2HD2      ASN 102  -2.632  -8.061  -8.925
  786    H    ALA 103           H        ALA 103  -4.373  -9.721  -4.191
  787    HA   ALA 103           HA       ALA 103  -3.817 -11.652  -2.194
  788    HB1  ALA 103           1HB      ALA 103  -3.848  -9.240  -1.732
  789    HB2  ALA 103           2HB      ALA 103  -4.925 -10.117  -0.642
  790    HB3  ALA 103           3HB      ALA 103  -5.588  -9.214  -2.004
  Start of MODEL   10
    1    H1   MET   1           1H       MET   1  -8.322   0.245   9.186
    2    H2   MET   1           2H       MET   1  -7.520   1.448  10.062
    3    H3   MET   1           3H       MET   1  -8.992   0.839  10.621
    4    HA   MET   1           HA       MET   1  -7.107  -0.018  11.861
    5    HB2  MET   1           1HB      MET   1  -7.731  -2.400  11.708
    6    HB3  MET   1           2HB      MET   1  -9.138  -1.347  11.742
    7    HG2  MET   1           1HG      MET   1  -9.386  -1.575   9.334
    8    HG3  MET   1           2HG      MET   1  -7.951  -2.595   9.274
    9    HE1  MET   1           3HE      MET   1  -9.085  -5.805  11.137
   10    HE2  MET   1           1HE      MET   1  -8.302  -4.417  11.890
   11    HE3  MET   1           2HE      MET   1  -7.780  -4.967  10.301
   12    H    VAL   2           H        VAL   2  -5.914   0.905   9.343
   13    HA   VAL   2           HA       VAL   2  -4.209  -1.394   8.693
   14    HB   VAL   2           HB       VAL   2  -4.360  -0.789   6.553
   15   HG11  VAL   2          1HG1      VAL   2  -5.799   0.953   5.761
   16   HG12  VAL   2          2HG1      VAL   2  -5.790   1.731   7.346
   17   HG13  VAL   2          3HG1      VAL   2  -6.551   0.153   7.144
   18   HG21  VAL   2          3HG2      VAL   2  -3.206   1.848   7.412
   19   HG22  VAL   2          1HG2      VAL   2  -3.358   1.309   5.744
   20   HG23  VAL   2          2HG2      VAL   2  -2.323   0.430   6.861
   21    H    THR   3           H        THR   3  -2.081  -1.379   9.033
   22    HA   THR   3           HA       THR   3  -1.120   0.453  11.029
   23    HB   THR   3           HB       THR   3  -0.384  -2.175   9.996
   24    HG1  THR   3           1HG      THR   3  -0.973  -2.181  12.056
   25   HG21  THR   3          3HG2      THR   3   1.878  -0.372  10.864
   26   HG22  THR   3          1HG2      THR   3   1.604  -0.928   9.206
   27   HG23  THR   3          2HG2      THR   3   1.987  -2.092  10.485
   28    H    GLN   4           H        GLN   4   0.540   1.840  10.913
   29    HA   GLN   4           HA       GLN   4   1.603   2.490   8.256
   30    HB2  GLN   4           1HB      GLN   4   2.354   4.625   9.541
   31    HB3  GLN   4           2HB      GLN   4   0.666   4.460   9.079
   32    HG2  GLN   4           1HG      GLN   4   0.126   4.844  11.184
   33    HG3  GLN   4           2HG      GLN   4   0.828   3.281  11.595
   34   HE21  GLN   4          1HE2      GLN   4   3.564   4.202  10.929
   35   HE22  GLN   4          2HE2      GLN   4   4.033   5.231  12.234
   36    H    PHE   5           H        PHE   5   3.656   1.885   7.855
   37    HA   PHE   5           HA       PHE   5   5.199   0.698   9.977
   38    HB2  PHE   5           1HB      PHE   5   5.789   1.177   7.066
   39    HB3  PHE   5           2HB      PHE   5   6.981   0.511   8.167
   40    HD1  PHE   5           2HD      PHE   5   5.196  -1.266   9.793
   41    HD2  PHE   5           1HD      PHE   5   5.433  -0.586   5.605
   42    HE1  PHE   5           2HE      PHE   5   4.330  -3.527   9.380
   43    HE2  PHE   5           1HE      PHE   5   4.577  -2.840   5.178
   44    HZ   PHE   5           HZ       PHE   5   4.021  -4.320   7.070
   45    H    LYS   6           H        LYS   6   7.287   1.357  10.636
   46    HA   LYS   6           HA       LYS   6   7.505   4.271  10.662
   47    HB2  LYS   6           1HB      LYS   6   9.132   3.663  12.630
   48    HB3  LYS   6           2HB      LYS   6   7.389   3.655  12.859
   49    HG2  LYS   6           1HG      LYS   6   7.396   1.210  12.490
   50    HG3  LYS   6           2HG      LYS   6   9.158   1.261  12.398
   51    HD2  LYS   6           1HD      LYS   6   9.374   1.860  14.643
   52    HD3  LYS   6           2HD      LYS   6   7.699   2.398  14.759
   53    HE2  LYS   6           1HE      LYS   6   7.962   0.317  15.947
   54    HE3  LYS   6           2HE      LYS   6   6.962   0.058  14.524
   55    HZ1  LYS   6           3HZ      LYS   6   8.694  -1.038  13.424
   56    HZ2  LYS   6           1HZ      LYS   6   8.721  -1.653  14.997
   57    HZ3  LYS   6           2HZ      LYS   6   9.864  -0.502  14.526
   58    H    THR   7           H        THR   7   9.159   1.489   9.470
   59    HA   THR   7           HA       THR   7  11.258   3.289   8.523
   60    HB   THR   7           HB       THR   7  12.990   1.580   8.788
   61    HG1  THR   7           1HG      THR   7  12.044  -0.068  10.544
   62   HG21  THR   7          3HG2      THR   7  11.566   2.214  11.374
   63   HG22  THR   7          1HG2      THR   7  12.740   3.245  10.556
   64   HG23  THR   7          2HG2      THR   7  13.244   1.693  11.225
   65    H    ALA   8           H        ALA   8  12.250   2.712   6.546
   66    HA   ALA   8           HA       ALA   8  10.714   1.416   4.587
   67    HB1  ALA   8           1HB      ALA   8  12.618   2.968   4.144
   68    HB2  ALA   8           2HB      ALA   8  12.711   1.465   3.224
   69    HB3  ALA   8           3HB      ALA   8  13.727   1.692   4.647
   70    H    SER   9           H        SER   9  13.075   0.327   6.901
   71    HA   SER   9           HA       SER   9  13.505  -2.289   6.008
   72    HB2  SER   9           1HB      SER   9  13.499  -1.327   8.875
   73    HB3  SER   9           2HB      SER   9  14.387  -2.699   8.213
   74    HG   SER   9           HG       SER   9  15.343  -0.952   6.775
   75    H    GLU  10           H        GLU  10  11.002  -0.892   8.121
   76    HA   GLU  10           HA       GLU  10   9.778  -3.308   8.917
   77    HB2  GLU  10           1HB      GLU  10   8.608  -0.561   8.463
   78    HB3  GLU  10           2HB      GLU  10   7.701  -1.891   9.169
   79    HG2  GLU  10           1HG      GLU  10  10.239  -0.757  10.313
   80    HG3  GLU  10           2HG      GLU  10   8.616  -0.297  10.819
   81    H    PHE  11           H        PHE  11   8.995  -1.128   6.254
   82    HA   PHE  11           HA       PHE  11   7.007  -2.668   5.038
   83    HB2  PHE  11           1HB      PHE  11   7.034  -0.513   4.276
   84    HB3  PHE  11           2HB      PHE  11   8.787  -0.419   4.243
   85    HD1  PHE  11           2HD      PHE  11   5.786  -1.417   2.392
   86    HD2  PHE  11           1HD      PHE  11  10.021  -1.046   2.289
   87    HE1  PHE  11           2HE      PHE  11   5.741  -1.680  -0.054
   88    HE2  PHE  11           1HE      PHE  11   9.986  -1.305  -0.161
   89    HZ   PHE  11           HZ       PHE  11   7.844  -1.622  -1.334
   90    H    ASP  12           H        ASP  12  10.489  -2.541   4.468
   91    HA   ASP  12           HA       ASP  12  10.685  -4.308   2.336
   92    HB2  ASP  12           1HB      ASP  12  12.589  -3.019   3.001
   93    HB3  ASP  12           2HB      ASP  12  12.592  -3.739   4.607
   94    H    SER  13           H        SER  13  10.715  -5.001   5.814
   95    HA   SER  13           HA       SER  13  11.167  -7.778   5.511
   96    HB2  SER  13           1HB      SER  13  11.656  -6.579   7.610
   97    HB3  SER  13           2HB      SER  13   9.936  -6.275   7.837
   98    HG   SER  13           HG       SER  13  10.898  -8.908   7.520
   99    H    ALA  14           H        ALA  14   8.230  -5.837   5.888
  100    HA   ALA  14           HA       ALA  14   6.423  -7.973   6.133
  101    HB1  ALA  14           1HB      ALA  14   5.708  -5.744   6.660
  102    HB2  ALA  14           2HB      ALA  14   4.717  -6.346   5.326
  103    HB3  ALA  14           3HB      ALA  14   6.025  -5.206   5.011
  104    H    ILE  15           H        ILE  15   7.517  -6.174   3.273
  105    HA   ILE  15           HA       ILE  15   5.797  -7.542   1.496
  106    HB   ILE  15           HB       ILE  15   7.127  -6.539  -0.303
  107   HG12  ILE  15          1HG1      ILE  15   8.837  -5.333   1.867
  108   HG13  ILE  15          2HG1      ILE  15   9.317  -6.757   0.953
  109   HG21  ILE  15          1HG2      ILE  15   5.354  -5.257   0.756
  110   HG22  ILE  15          2HG2      ILE  15   6.683  -4.198   0.286
  111   HG23  ILE  15          3HG2      ILE  15   6.484  -4.667   1.974
  112   HD11  ILE  15          3HD1      ILE  15  10.333  -4.745   0.059
  113   HD12  ILE  15          1HD1      ILE  15   8.737  -4.038  -0.189
  114   HD13  ILE  15          2HD1      ILE  15   9.224  -5.462  -1.110
  115    H    ALA  16           H        ALA  16   8.855  -8.365   2.882
  116    HA   ALA  16           HA       ALA  16   9.482 -10.321   0.825
  117    HB1  ALA  16           1HB      ALA  16  10.784  -9.901   3.503
  118    HB2  ALA  16           2HB      ALA  16  11.252  -9.072   2.018
  119    HB3  ALA  16           3HB      ALA  16  11.429 -10.823   2.146
  120    H    GLN  17           H        GLN  17   7.293 -10.266   3.258
  121    HA   GLN  17           HA       GLN  17   7.783 -12.895   4.328
  122    HB2  GLN  17           1HB      GLN  17   5.522 -10.934   4.715
  123    HB3  GLN  17           2HB      GLN  17   5.595 -12.499   5.515
  124    HG2  GLN  17           1HG      GLN  17   7.612 -11.884   6.656
  125    HG3  GLN  17           2HG      GLN  17   7.706 -10.372   5.758
  126   HE21  GLN  17          1HE2      GLN  17   4.825  -9.906   5.958
  127   HE22  GLN  17          2HE2      GLN  17   4.541  -9.395   7.586
  128    H    ASP  18           H        ASP  18   5.991 -14.515   4.345
  129    HA   ASP  18           HA       ASP  18   5.451 -15.188   1.599
  130    HB2  ASP  18           1HB      ASP  18   4.870 -16.686   4.164
  131    HB3  ASP  18           2HB      ASP  18   4.653 -17.342   2.547
  132    H    LYS  19           H        LYS  19   3.911 -12.991   2.875
  133    HA   LYS  19           HA       LYS  19   1.232 -14.027   2.265
  134    HB2  LYS  19           1HB      LYS  19   0.270 -13.183   4.125
  135    HB3  LYS  19           2HB      LYS  19   1.832 -13.612   4.781
  136    HG2  LYS  19           1HG      LYS  19   2.558 -11.378   4.827
  137    HG3  LYS  19           2HG      LYS  19   1.236 -10.844   3.785
  138    HD2  LYS  19           1HD      LYS  19   0.928 -11.946   6.574
  139    HD3  LYS  19           2HD      LYS  19   0.863 -10.238   6.140
  140    HE2  LYS  19           1HE      LYS  19  -1.119 -10.537   4.879
  141    HE3  LYS  19           2HE      LYS  19  -0.974 -12.294   4.923
  142    HZ1  LYS  19           3HZ      LYS  19  -1.616 -10.476   7.194
  143    HZ2  LYS  19           1HZ      LYS  19  -1.290 -12.130   7.374
  144    HZ3  LYS  19           2HZ      LYS  19  -2.633 -11.629   6.482
  145    H    LEU  20           H        LEU  20  -0.289 -12.218   1.727
  146    HA   LEU  20           HA       LEU  20   1.004 -10.502  -0.173
  147    HB2  LEU  20           1HB      LEU  20  -1.282 -11.606  -0.451
  148    HB3  LEU  20           2HB      LEU  20  -1.890 -10.410   0.670
  149    HG   LEU  20           HG       LEU  20  -2.308  -9.885  -1.740
  150   HD11  LEU  20          1HD1      LEU  20  -2.378  -8.111  -0.110
  151   HD12  LEU  20          2HD1      LEU  20  -1.669  -7.533  -1.617
  152   HD13  LEU  20          3HD1      LEU  20  -0.633  -7.896  -0.236
  153   HD21  LEU  20          3HD2      LEU  20  -0.427  -8.983  -3.042
  154   HD22  LEU  20          1HD2      LEU  20  -0.270 -10.709  -2.716
  155   HD23  LEU  20          2HD2      LEU  20   0.678  -9.541  -1.792
  156    H    VAL  21           H        VAL  21   1.928  -8.653   0.359
  157    HA   VAL  21           HA       VAL  21   0.759  -7.130   2.593
  158    HB   VAL  21           HB       VAL  21   3.629  -7.219   1.635
  159   HG11  VAL  21          1HG1      VAL  21   2.402  -5.405   3.713
  160   HG12  VAL  21          2HG1      VAL  21   2.974  -4.901   2.124
  161   HG13  VAL  21          3HG1      VAL  21   4.117  -5.526   3.319
  162   HG21  VAL  21          3HG2      VAL  21   2.343  -7.860   4.290
  163   HG22  VAL  21          1HG2      VAL  21   4.065  -7.961   3.921
  164   HG23  VAL  21          2HG2      VAL  21   2.925  -9.038   3.113
  165    H    VAL  22           H        VAL  22  -0.536  -5.644   1.768
  166    HA   VAL  22           HA       VAL  22   0.413  -4.087  -0.511
  167    HB   VAL  22           HB       VAL  22  -1.655  -4.570  -1.229
  168   HG11  VAL  22          1HG1      VAL  22  -2.546  -4.858   1.617
  169   HG12  VAL  22          2HG1      VAL  22  -2.218  -6.139   0.445
  170   HG13  VAL  22          3HG1      VAL  22  -3.598  -5.066   0.216
  171   HG21  VAL  22          3HG2      VAL  22  -3.351  -2.883  -0.684
  172   HG22  VAL  22          1HG2      VAL  22  -1.762  -2.170  -0.962
  173   HG23  VAL  22          2HG2      VAL  22  -2.370  -2.357   0.684
  174    H    VAL  23           H        VAL  23   1.621  -2.475   0.115
  175    HA   VAL  23           HA       VAL  23   0.786  -0.848   2.425
  176    HB   VAL  23           HB       VAL  23   3.478  -0.859   1.048
  177   HG11  VAL  23          1HG1      VAL  23   2.961   1.209   2.201
  178   HG12  VAL  23          2HG1      VAL  23   4.224   0.318   3.053
  179   HG13  VAL  23          3HG1      VAL  23   2.571   0.313   3.669
  180   HG21  VAL  23          3HG2      VAL  23   3.375  -2.977   2.011
  181   HG22  VAL  23          1HG2      VAL  23   2.468  -2.400   3.407
  182   HG23  VAL  23          2HG2      VAL  23   4.172  -1.993   3.240
  183    H    ALA  24           H        ALA  24   0.480   1.364   2.193
  184    HA   ALA  24           HA       ALA  24   0.686   2.445  -0.536
  185    HB1  ALA  24           1HB      ALA  24  -1.570   2.441  -0.365
  186    HB2  ALA  24           2HB      ALA  24  -1.254   3.974   0.448
  187    HB3  ALA  24           3HB      ALA  24  -1.539   2.510   1.390
  188    H    PHE  25           H        PHE  25   2.041   3.942  -0.788
  189    HA   PHE  25           HA       PHE  25   3.233   5.417   1.330
  190    HB2  PHE  25           1HB      PHE  25   3.226   5.835  -1.660
  191    HB3  PHE  25           2HB      PHE  25   4.266   6.712  -0.537
  192    HD1  PHE  25           2HD      PHE  25   3.573   3.464  -2.097
  193    HD2  PHE  25           1HD      PHE  25   6.183   5.655   0.452
  194    HE1  PHE  25           2HE      PHE  25   5.241   1.668  -2.271
  195    HE2  PHE  25           1HE      PHE  25   7.858   3.863   0.276
  196    HZ   PHE  25           HZ       PHE  25   7.389   1.866  -1.083
  197    H    TYR  26           H        TYR  26   2.484   7.165   2.312
  198    HA   TYR  26           HA       TYR  26   0.051   8.408   1.217
  199    HB2  TYR  26           1HB      TYR  26   0.311   6.651   3.403
  200    HB3  TYR  26           2HB      TYR  26   0.016   8.252   4.080
  201    HD1  TYR  26           2HD      TYR  26  -1.211   5.974   1.439
  202    HD2  TYR  26           1HD      TYR  26  -2.146   9.007   4.258
  203    HE1  TYR  26           2HE      TYR  26  -3.581   5.761   0.870
  204    HE2  TYR  26           1HE      TYR  26  -4.527   8.803   3.695
  205    HH   TYR  26           HH       TYR  26  -5.857   6.353   2.321
  206    H    ALA  27           H        ALA  27  -0.634  10.283   2.663
  207    HA   ALA  27           HA       ALA  27   1.393  11.649   4.140
  208    HB1  ALA  27           1HB      ALA  27   1.446  13.674   2.767
  209    HB2  ALA  27           2HB      ALA  27   0.415  12.898   1.565
  210    HB3  ALA  27           3HB      ALA  27   2.043  12.287   1.856
  211    H    THR  28           H        THR  28   0.482  13.259   5.446
  212    HA   THR  28           HA       THR  28  -2.382  13.090   5.746
  213    HB   THR  28           HB       THR  28  -1.849  14.738   7.681
  214    HG1  THR  28           1HG      THR  28   0.553  13.991   8.200
  215   HG21  THR  28          3HG2      THR  28  -1.146  12.859   9.105
  216   HG22  THR  28          1HG2      THR  28  -0.790  11.911   7.661
  217   HG23  THR  28          2HG2      THR  28  -2.448  12.401   8.009
  218    H    TRP  29           H        TRP  29  -0.463  14.940   3.832
  219    HA   TRP  29           HA       TRP  29  -2.176  17.310   4.094
  220    HB2  TRP  29           1HB      TRP  29  -0.096  18.406   2.894
  221    HB3  TRP  29           2HB      TRP  29  -0.141  18.191   4.637
  222    HD1  TRP  29           HD       TRP  29   1.565  16.523   5.711
  223    HE1  TRP  29           1HE      TRP  29   3.674  15.332   4.836
  224    HE3  TRP  29           3HE      TRP  29   0.879  17.259   0.700
  225    HZ2  TRP  29           2HZ      TRP  29   4.873  14.768   2.346
  226    HZ3  TRP  29           3HZ      TRP  29   2.553  16.358  -0.862
  227    HH2  TRP  29           HH       TRP  29   4.509  15.139  -0.055
  228    H    CYS  30           H        CYS  30  -3.273  15.430   2.497
  229    HA   CYS  30           HA       CYS  30  -3.116  16.748  -0.074
  230    HB2  CYS  30           1HB      CYS  30  -2.933  14.489  -1.254
  231    HB3  CYS  30           2HB      CYS  30  -1.471  15.177  -0.567
  232    H    GLY  31           H        GLY  31  -4.714  15.798  -1.666
  233    HA2  GLY  31           1HA      GLY  31  -7.271  15.442  -0.345
  234    HA3  GLY  31           2HA      GLY  31  -7.001  15.669  -2.062
  235    HA   PRO  32           HA       PRO  32  -7.220  11.408  -3.176
  236    HB2  PRO  32           1HB      PRO  32  -4.272  10.962  -3.097
  237    HB3  PRO  32           2HB      PRO  32  -5.433  10.587  -4.375
  238    HG2  PRO  32           1HG      PRO  32  -3.825  12.670  -4.619
  239    HG3  PRO  32           2HG      PRO  32  -5.525  12.787  -5.116
  240    HD2  PRO  32           1HD      PRO  32  -4.191  13.839  -2.655
  241    HD3  PRO  32           2HD      PRO  32  -5.461  14.576  -3.647
  242    H    CYS  33           H        CYS  33  -4.798  11.931  -0.662
  243    HA   CYS  33           HA       CYS  33  -4.938   9.343   0.466
  244    HB2  CYS  33           1HB      CYS  33  -4.017  10.611   2.521
  245    HB3  CYS  33           2HB      CYS  33  -3.043  10.578   1.054
  246    H    LYS  34           H        LYS  34  -6.876  12.233   0.878
  247    HA   LYS  34           HA       LYS  34  -8.155  11.418   3.274
  248    HB2  LYS  34           1HB      LYS  34  -8.131  13.757   2.528
  249    HB3  LYS  34           2HB      LYS  34  -9.114  13.329   1.135
  250    HG2  LYS  34           1HG      LYS  34 -10.891  12.578   2.715
  251    HG3  LYS  34           2HG      LYS  34  -9.915  13.230   4.032
  252    HD2  LYS  34           1HD      LYS  34 -10.020  15.447   3.018
  253    HD3  LYS  34           2HD      LYS  34 -10.976  14.798   1.684
  254    HE2  LYS  34           1HE      LYS  34 -11.765  14.886   4.592
  255    HE3  LYS  34           2HE      LYS  34 -12.427  15.875   3.292
  256    HZ1  LYS  34           3HZ      LYS  34 -13.901  14.058   3.798
  257    HZ2  LYS  34           1HZ      LYS  34 -12.672  12.926   3.540
  258    HZ3  LYS  34           2HZ      LYS  34 -13.261  13.844   2.249
  259    H    MET  35           H        MET  35  -8.799  10.846  -0.142
  260    HA   MET  35           HA       MET  35 -11.431   9.797   0.398
  261    HB2  MET  35           1HB      MET  35 -11.516   9.253  -1.993
  262    HB3  MET  35           2HB      MET  35 -11.103  10.931  -1.684
  263    HG2  MET  35           1HG      MET  35  -8.725  10.339  -2.055
  264    HG3  MET  35           2HG      MET  35  -9.253   8.721  -2.504
  265    HE1  MET  35           3HE      MET  35 -11.398   9.467  -5.719
  266    HE2  MET  35           1HE      MET  35 -11.975   9.365  -4.056
  267    HE3  MET  35           2HE      MET  35 -10.783   8.209  -4.648
  268    H    ILE  36           H        ILE  36  -8.339   8.230  -0.585
  269    HA   ILE  36           HA       ILE  36  -9.683   5.699  -0.615
  270    HB   ILE  36           HB       ILE  36  -8.043   5.474  -2.140
  271   HG12  ILE  36          1HG1      ILE  36  -7.636   3.899  -0.054
  272   HG13  ILE  36          2HG1      ILE  36  -6.568   3.856  -1.443
  273   HG21  ILE  36          1HG2      ILE  36  -5.832   6.485  -2.072
  274   HG22  ILE  36          2HG2      ILE  36  -6.181   7.132  -0.469
  275   HG23  ILE  36          3HG2      ILE  36  -7.112   7.680  -1.863
  276   HD11  ILE  36          3HD1      ILE  36  -4.919   5.122  -0.315
  277   HD12  ILE  36          1HD1      ILE  36  -5.446   3.864   0.804
  278   HD13  ILE  36          2HD1      ILE  36  -6.031   5.524   0.996
  279    H    ALA  37           H        ALA  37  -8.044   7.547   1.801
  280    HA   ALA  37           HA       ALA  37  -7.162   5.465   3.433
  281    HB1  ALA  37           1HB      ALA  37  -6.519   7.766   3.797
  282    HB2  ALA  37           2HB      ALA  37  -7.168   7.040   5.271
  283    HB3  ALA  37           3HB      ALA  37  -8.152   8.159   4.331
  284    HA   PRO  38           HA       PRO  38 -11.598   5.241   5.404
  285    HB2  PRO  38           1HB      PRO  38 -13.220   6.374   3.206
  286    HB3  PRO  38           2HB      PRO  38 -13.415   6.551   4.953
  287    HG2  PRO  38           1HG      PRO  38 -12.518   8.565   3.448
  288    HG3  PRO  38           2HG      PRO  38 -11.889   8.278   5.081
  289    HD2  PRO  38           1HD      PRO  38 -10.663   7.619   2.433
  290    HD3  PRO  38           2HD      PRO  38  -9.901   8.250   3.905
  291    H    MET  39           H        MET  39 -11.182   5.202   1.854
  292    HA   MET  39           HA       MET  39 -12.879   2.969   1.447
  293    HB2  MET  39           1HB      MET  39 -10.631   4.019  -0.256
  294    HB3  MET  39           2HB      MET  39 -11.749   2.767  -0.767
  295    HG2  MET  39           1HG      MET  39 -12.484   5.588  -0.022
  296    HG3  MET  39           2HG      MET  39 -12.367   4.946  -1.659
  297    HE1  MET  39           3HE      MET  39 -13.641   2.072  -1.433
  298    HE2  MET  39           1HE      MET  39 -14.039   3.223  -2.710
  299    HE3  MET  39           2HE      MET  39 -15.328   2.423  -1.808
  300    H    ILE  40           H        ILE  40  -9.252   2.947   1.288
  301    HA   ILE  40           HA       ILE  40  -9.217   0.126   1.353
  302    HB   ILE  40           HB       ILE  40  -7.046   2.187   1.771
  303   HG12  ILE  40          1HG1      ILE  40  -7.586   0.073  -0.333
  304   HG13  ILE  40          2HG1      ILE  40  -8.034   1.768  -0.473
  305   HG21  ILE  40          1HG2      ILE  40  -6.687  -0.808   1.805
  306   HG22  ILE  40          2HG2      ILE  40  -6.523   0.261   3.199
  307   HG23  ILE  40          3HG2      ILE  40  -5.408   0.408   1.839
  308   HD11  ILE  40          3HD1      ILE  40  -6.078   1.488  -1.715
  309   HD12  ILE  40          1HD1      ILE  40  -5.288   0.578  -0.422
  310   HD13  ILE  40          2HD1      ILE  40  -5.605   2.300  -0.224
  311    H    GLU  41           H        GLU  41  -9.474   2.464   3.895
  312    HA   GLU  41           HA       GLU  41  -8.946   0.778   6.074
  313    HB2  GLU  41           1HB      GLU  41  -9.462   3.202   6.267
  314    HB3  GLU  41           2HB      GLU  41 -11.136   2.853   5.864
  315    HG2  GLU  41           1HG      GLU  41 -11.408   1.575   7.874
  316    HG3  GLU  41           2HG      GLU  41  -9.695   1.741   8.256
  317    H    LYS  42           H        LYS  42 -11.939   1.222   4.153
  318    HA   LYS  42           HA       LYS  42 -13.360  -0.782   5.559
  319    HB2  LYS  42           1HB      LYS  42 -14.548   0.840   4.178
  320    HB3  LYS  42           2HB      LYS  42 -13.723   0.253   2.739
  321    HG2  LYS  42           1HG      LYS  42 -14.815  -2.039   3.570
  322    HG3  LYS  42           2HG      LYS  42 -15.988  -0.903   4.239
  323    HD2  LYS  42           1HD      LYS  42 -15.081  -0.949   1.374
  324    HD3  LYS  42           2HD      LYS  42 -16.560  -1.706   1.964
  325    HE2  LYS  42           1HE      LYS  42 -17.296   0.528   2.786
  326    HE3  LYS  42           2HE      LYS  42 -15.874   1.231   2.017
  327    HZ1  LYS  42           3HZ      LYS  42 -17.772   1.453   0.582
  328    HZ2  LYS  42           1HZ      LYS  42 -18.081  -0.207   0.650
  329    HZ3  LYS  42           2HZ      LYS  42 -16.687   0.359  -0.116
  330    H    PHE  43           H        PHE  43 -11.338  -0.803   2.685
  331    HA   PHE  43           HA       PHE  43 -11.854  -3.524   2.119
  332    HB2  PHE  43           1HB      PHE  43  -9.548  -1.841   1.152
  333    HB3  PHE  43           2HB      PHE  43 -10.033  -3.416   0.547
  334    HD1  PHE  43           1HD      PHE  43 -12.774  -1.322   1.424
  335    HD2  PHE  43           2HD      PHE  43 -10.024  -2.228  -1.710
  336    HE1  PHE  43           1HE      PHE  43 -14.265  -0.224  -0.208
  337    HE2  PHE  43           2HE      PHE  43 -11.511  -1.119  -3.321
  338    HZ   PHE  43           HZ       PHE  43 -13.629  -0.122  -2.580
  339    H    SER  44           H        SER  44  -9.840  -1.963   4.410
  340    HA   SER  44           HA       SER  44  -7.981  -4.130   4.620
  341    HB2  SER  44           1HB      SER  44  -7.140  -2.986   6.589
  342    HB3  SER  44           2HB      SER  44  -7.305  -1.833   5.283
  343    HG   SER  44           HG       SER  44  -9.530  -1.590   6.454
  344    H    GLU  45           H        GLU  45 -11.110  -3.326   5.648
  345    HA   GLU  45           HA       GLU  45 -11.236  -5.471   7.612
  346    HB2  GLU  45           1HB      GLU  45 -12.689  -3.470   7.802
  347    HB3  GLU  45           2HB      GLU  45 -13.439  -3.879   6.267
  348    HG2  GLU  45           1HG      GLU  45 -14.865  -4.510   8.109
  349    HG3  GLU  45           2HG      GLU  45 -14.313  -5.940   7.240
  350    H    GLN  46           H        GLN  46 -11.390  -5.036   4.230
  351    HA   GLN  46           HA       GLN  46 -12.861  -7.494   3.772
  352    HB2  GLN  46           1HB      GLN  46 -11.730  -5.691   1.662
  353    HB3  GLN  46           2HB      GLN  46 -13.000  -6.888   1.478
  354    HG2  GLN  46           1HG      GLN  46 -13.154  -4.284   2.965
  355    HG3  GLN  46           2HG      GLN  46 -13.948  -4.706   1.453
  356   HE21  GLN  46          1HE2      GLN  46 -14.671  -7.381   2.320
  357   HE22  GLN  46          2HE2      GLN  46 -15.970  -7.197   3.447
  358    H    TYR  47           H        TYR  47  -9.714  -6.871   4.336
  359    HA   TYR  47           HA       TYR  47  -8.776  -8.866   2.374
  360    HB2  TYR  47           1HB      TYR  47  -6.989  -7.285   4.224
  361    HB3  TYR  47           2HB      TYR  47  -6.505  -8.275   2.851
  362    HD1  TYR  47           2HD      TYR  47  -8.828  -7.128   1.053
  363    HD2  TYR  47           1HD      TYR  47  -5.765  -5.384   3.446
  364    HE1  TYR  47           2HE      TYR  47  -8.857  -5.124  -0.378
  365    HE2  TYR  47           1HE      TYR  47  -5.791  -3.377   2.022
  366    HH   TYR  47           HH       TYR  47  -6.432  -2.735  -0.242
  367    HA   PRO  48           HA       PRO  48  -8.807 -11.648   5.944
  368    HB2  PRO  48           1HB      PRO  48  -9.087 -13.810   4.065
  369    HB3  PRO  48           2HB      PRO  48 -10.278 -13.201   5.213
  370    HG2  PRO  48           1HG      PRO  48 -10.505 -12.982   2.483
  371    HG3  PRO  48           2HG      PRO  48 -11.306 -11.909   3.643
  372    HD2  PRO  48           1HD      PRO  48  -8.810 -11.462   2.057
  373    HD3  PRO  48           2HD      PRO  48 -10.116 -10.323   2.452
  374    H    GLN  49           H        GLN  49  -7.178 -12.274   2.822
  375    HA   GLN  49           HA       GLN  49  -5.038 -13.636   4.307
  376    HB2  GLN  49           1HB      GLN  49  -4.433 -14.748   2.244
  377    HB3  GLN  49           2HB      GLN  49  -6.125 -15.028   2.622
  378    HG2  GLN  49           1HG      GLN  49  -6.858 -13.592   0.925
  379    HG3  GLN  49           2HG      GLN  49  -5.262 -12.866   0.733
  380   HE21  GLN  49          1HE2      GLN  49  -3.677 -13.975  -0.386
  381   HE22  GLN  49          2HE2      GLN  49  -4.039 -15.309  -1.418
  382    H    ALA  50           H        ALA  50  -5.581 -10.669   3.351
  383    HA   ALA  50           HA       ALA  50  -2.826 -10.231   2.430
  384    HB1  ALA  50           1HB      ALA  50  -4.101  -9.705   0.540
  385    HB2  ALA  50           2HB      ALA  50  -3.810  -8.145   1.308
  386    HB3  ALA  50           3HB      ALA  50  -5.369  -8.944   1.493
  387    H    ASP  51           H        ASP  51  -1.751  -8.529   3.365
  388    HA   ASP  51           HA       ASP  51  -3.143  -7.379   5.673
  389    HB2  ASP  51           1HB      ASP  51  -0.663  -8.670   5.539
  390    HB3  ASP  51           2HB      ASP  51  -0.286  -6.961   5.746
  391    H    PHE  52           H        PHE  52  -3.187  -5.338   6.062
  392    HA   PHE  52           HA       PHE  52  -2.788  -3.600   3.746
  393    HB2  PHE  52           1HB      PHE  52  -4.632  -2.323   5.215
  394    HB3  PHE  52           2HB      PHE  52  -5.058  -3.634   4.113
  395    HD1  PHE  52           1HD      PHE  52  -5.392  -5.962   5.060
  396    HD2  PHE  52           2HD      PHE  52  -4.960  -2.540   7.534
  397    HE1  PHE  52           1HE      PHE  52  -6.356  -7.210   6.934
  398    HE2  PHE  52           2HE      PHE  52  -5.918  -3.785   9.420
  399    HZ   PHE  52           HZ       PHE  52  -6.612  -6.127   9.125
  400    H    TYR  53           H        TYR  53  -1.193  -2.131   3.932
  401    HA   TYR  53           HA       TYR  53  -0.901  -0.768   6.522
  402    HB2  TYR  53           1HB      TYR  53   1.473  -1.478   4.801
  403    HB3  TYR  53           2HB      TYR  53   1.480  -0.812   6.437
  404    HD1  TYR  53           1HD      TYR  53   0.563  -2.278   8.307
  405    HD2  TYR  53           2HD      TYR  53   1.604  -3.802   4.485
  406    HE1  TYR  53           1HE      TYR  53   0.772  -4.526   9.273
  407    HE2  TYR  53           2HE      TYR  53   1.813  -6.060   5.440
  408    HH   TYR  53           HH       TYR  53   0.614  -6.908   8.425
  409    H    LYS  54           H        LYS  54  -0.109   1.383   6.391
  410    HA   LYS  54           HA       LYS  54   0.159   2.525   3.684
  411    HB2  LYS  54           1HB      LYS  54  -1.805   3.239   5.734
  412    HB3  LYS  54           2HB      LYS  54  -0.844   4.617   5.227
  413    HG2  LYS  54           1HG      LYS  54  -2.460   4.824   3.676
  414    HG3  LYS  54           2HG      LYS  54  -1.503   3.627   2.819
  415    HD2  LYS  54           1HD      LYS  54  -3.678   2.764   2.658
  416    HD3  LYS  54           2HD      LYS  54  -3.002   1.896   4.047
  417    HE2  LYS  54           1HE      LYS  54  -4.999   4.133   3.982
  418    HE3  LYS  54           2HE      LYS  54  -5.129   2.550   4.746
  419    HZ1  LYS  54           3HZ      LYS  54  -4.850   4.309   6.372
  420    HZ2  LYS  54           1HZ      LYS  54  -3.385   4.770   5.669
  421    HZ3  LYS  54           2HZ      LYS  54  -3.532   3.260   6.407
  422    H    LEU  55           H        LEU  55   2.007   3.732   3.436
  423    HA   LEU  55           HA       LEU  55   3.617   4.235   5.870
  424    HB2  LEU  55           1HB      LEU  55   4.413   4.686   2.990
  425    HB3  LEU  55           2HB      LEU  55   5.458   4.756   4.382
  426    HG   LEU  55           HG       LEU  55   4.107   2.270   3.365
  427   HD11  LEU  55          1HD1      LEU  55   6.985   3.151   3.223
  428   HD12  LEU  55          2HD1      LEU  55   5.863   3.057   1.866
  429   HD13  LEU  55          3HD1      LEU  55   6.354   1.587   2.707
  430   HD21  LEU  55          3HD2      LEU  55   5.642   1.161   4.960
  431   HD22  LEU  55          1HD2      LEU  55   4.396   2.145   5.730
  432   HD23  LEU  55          2HD2      LEU  55   6.047   2.753   5.604
  433    H    ASP  56           H        ASP  56   3.679   6.257   6.780
  434    HA   ASP  56           HA       ASP  56   2.670   8.556   5.412
  435    HB2  ASP  56           1HB      ASP  56   4.362   8.226   7.896
  436    HB3  ASP  56           2HB      ASP  56   3.935   9.805   7.251
  437    H    VAL  57           H        VAL  57   3.679   8.905   3.490
  438    HA   VAL  57           HA       VAL  57   6.341   8.448   2.851
  439    HB   VAL  57           HB       VAL  57   4.147   9.187   1.468
  440   HG11  VAL  57          1HG1      VAL  57   5.882  11.652   1.407
  441   HG12  VAL  57          2HG1      VAL  57   4.307  11.537   2.192
  442   HG13  VAL  57          3HG1      VAL  57   4.436  11.355   0.440
  443   HG21  VAL  57          3HG2      VAL  57   7.002   9.459   0.593
  444   HG22  VAL  57          1HG2      VAL  57   5.615   9.379  -0.493
  445   HG23  VAL  57          2HG2      VAL  57   6.000   8.009   0.550
  446    H    ASP  58           H        ASP  58   4.896  10.930   4.665
  447    HA   ASP  58           HA       ASP  58   6.644  13.075   4.344
  448    HB2  ASP  58           1HB      ASP  58   4.426  12.965   5.589
  449    HB3  ASP  58           2HB      ASP  58   5.321  12.263   6.935
  450    H    GLU  59           H        GLU  59   6.854  10.157   6.309
  451    HA   GLU  59           HA       GLU  59   9.575  10.953   7.094
  452    HB2  GLU  59           1HB      GLU  59   9.381   9.663   9.039
  453    HB3  GLU  59           2HB      GLU  59   7.827  10.445   8.855
  454    HG2  GLU  59           1HG      GLU  59   6.909   8.387   7.901
  455    HG3  GLU  59           2HG      GLU  59   8.459   7.602   8.209
  456    H    LEU  60           H        LEU  60   7.621   8.315   5.829
  457    HA   LEU  60           HA       LEU  60   9.910   6.721   5.094
  458    HB2  LEU  60           1HB      LEU  60   6.972   6.477   4.421
  459    HB3  LEU  60           2HB      LEU  60   8.180   5.499   3.608
  460    HG   LEU  60           HG       LEU  60   7.359   4.124   5.279
  461   HD11  LEU  60          1HD1      LEU  60   9.179   3.768   6.829
  462   HD12  LEU  60          2HD1      LEU  60   9.811   5.377   6.490
  463   HD13  LEU  60          3HD1      LEU  60   9.802   4.147   5.219
  464   HD21  LEU  60          3HD2      LEU  60   7.491   6.477   7.135
  465   HD22  LEU  60          1HD2      LEU  60   7.146   4.829   7.653
  466   HD23  LEU  60          2HD2      LEU  60   6.054   5.654   6.542
  467    H    GLY  61           H        GLY  61  10.535   9.101   4.141
  468    HA2  GLY  61           1HA      GLY  61   9.648   9.523   1.442
  469    HA3  GLY  61           2HA      GLY  61  10.952  10.372   2.260
  470    H    ASP  62           H        ASP  62  12.542   8.174   2.966
  471    HA   ASP  62           HA       ASP  62  14.031   7.885   0.596
  472    HB2  ASP  62           1HB      ASP  62  15.488   6.410   1.859
  473    HB3  ASP  62           2HB      ASP  62  15.031   7.780   2.861
  474    H    VAL  63           H        VAL  63  11.931   5.566   2.307
  475    HA   VAL  63           HA       VAL  63  12.351   3.445   0.506
  476    HB   VAL  63           HB       VAL  63  11.362   2.958   2.653
  477   HG11  VAL  63          1HG1      VAL  63   8.973   4.551   1.819
  478   HG12  VAL  63          2HG1      VAL  63  10.191   5.064   2.986
  479   HG13  VAL  63          3HG1      VAL  63   9.188   3.651   3.323
  480   HG21  VAL  63          3HG2      VAL  63  10.750   1.442   0.881
  481   HG22  VAL  63          1HG2      VAL  63   9.405   2.491   0.426
  482   HG23  VAL  63          2HG2      VAL  63   9.386   1.656   1.980
  483    H    ALA  64           H        ALA  64  10.006   6.066   0.575
  484    HA   ALA  64           HA       ALA  64   8.460   5.363  -1.633
  485    HB1  ALA  64           1HB      ALA  64   7.912   7.171  -0.071
  486    HB2  ALA  64           2HB      ALA  64   7.849   7.702  -1.752
  487    HB3  ALA  64           3HB      ALA  64   9.229   8.134  -0.740
  488    H    GLN  65           H        GLN  65  11.639   6.803  -1.448
  489    HA   GLN  65           HA       GLN  65  11.660   7.673  -4.184
  490    HB2  GLN  65           1HB      GLN  65  13.906   7.347  -2.167
  491    HB3  GLN  65           2HB      GLN  65  14.091   8.090  -3.753
  492    HG2  GLN  65           1HG      GLN  65  12.096   9.143  -1.791
  493    HG3  GLN  65           2HG      GLN  65  13.798   9.575  -1.668
  494   HE21  GLN  65          1HE2      GLN  65  12.269   9.049  -4.763
  495   HE22  GLN  65          2HE2      GLN  65  12.273  10.700  -5.258
  496    H    LYS  66           H        LYS  66  12.907   4.963  -2.342
  497    HA   LYS  66           HA       LYS  66  14.366   3.661  -4.302
  498    HB2  LYS  66           1HB      LYS  66  12.722   2.420  -2.101
  499    HB3  LYS  66           2HB      LYS  66  14.105   1.699  -2.904
  500    HG2  LYS  66           1HG      LYS  66  15.508   3.536  -1.985
  501    HG3  LYS  66           2HG      LYS  66  14.092   4.077  -1.083
  502    HD2  LYS  66           1HD      LYS  66  13.995   1.793  -0.050
  503    HD3  LYS  66           2HD      LYS  66  15.555   1.460  -0.803
  504    HE2  LYS  66           1HE      LYS  66  14.937   3.620   1.210
  505    HE3  LYS  66           2HE      LYS  66  15.895   2.167   1.482
  506    HZ1  LYS  66           3HZ      LYS  66  16.595   4.389  -0.360
  507    HZ2  LYS  66           1HZ      LYS  66  17.512   2.988  -0.125
  508    HZ3  LYS  66           2HZ      LYS  66  17.307   4.086   1.143
  509    H    ASN  67           H        ASN  67  10.957   3.597  -3.520
  510    HA   ASN  67           HA       ASN  67  10.417   1.538  -5.497
  511    HB2  ASN  67           1HB      ASN  67   8.688   2.931  -3.455
  512    HB3  ASN  67           2HB      ASN  67   8.042   1.796  -4.638
  513   HD21  ASN  67          1HD2      ASN  67  10.168   2.157  -1.886
  514   HD22  ASN  67          2HD2      ASN  67  10.252   0.478  -1.481
  515    H    GLU  68           H        GLU  68  10.987   4.657  -5.741
  516    HA   GLU  68           HA       GLU  68  10.584   6.276  -7.269
  517    HB2  GLU  68           1HB      GLU  68   9.380   4.042  -8.905
  518    HB3  GLU  68           2HB      GLU  68   9.970   5.583  -9.512
  519    HG2  GLU  68           1HG      GLU  68  12.234   4.978  -8.739
  520    HG3  GLU  68           2HG      GLU  68  11.613   3.403  -8.247
  521    H    VAL  69           H        VAL  69   8.829   6.438  -5.328
  522    HA   VAL  69           HA       VAL  69   6.104   6.280  -6.221
  523    HB   VAL  69           HB       VAL  69   7.371   7.527  -3.784
  524   HG11  VAL  69          1HG1      VAL  69   4.434   7.250  -4.416
  525   HG12  VAL  69          2HG1      VAL  69   5.335   8.763  -4.305
  526   HG13  VAL  69          3HG1      VAL  69   5.112   7.761  -2.870
  527   HG21  VAL  69          3HG2      VAL  69   7.448   5.104  -3.869
  528   HG22  VAL  69          1HG2      VAL  69   5.714   5.040  -4.184
  529   HG23  VAL  69          2HG2      VAL  69   6.308   5.635  -2.634
  530    H    SER  70           H        SER  70   5.209   7.631  -7.584
  531    HA   SER  70           HA       SER  70   6.160  10.409  -7.676
  532    HB2  SER  70           1HB      SER  70   5.199  10.342 -10.044
  533    HB3  SER  70           2HB      SER  70   6.658   9.394  -9.761
  534    HG   SER  70           HG       SER  70   5.568   7.725 -10.393
  535    H    ALA  71           H        ALA  71   3.227   8.565  -8.539
  536    HA   ALA  71           HA       ALA  71   1.586  10.830  -7.710
  537    HB1  ALA  71           1HB      ALA  71   1.105   9.756  -9.864
  538    HB2  ALA  71           2HB      ALA  71  -0.261   9.649  -8.755
  539    HB3  ALA  71           3HB      ALA  71   0.767   8.242  -9.025
  540    H    MET  72           H        MET  72   0.868  10.945  -5.716
  541    HA   MET  72           HA       MET  72   0.799   8.523  -4.080
  542    HB2  MET  72           1HB      MET  72   0.351  10.548  -2.318
  543    HB3  MET  72           2HB      MET  72   1.936   9.906  -2.716
  544    HG2  MET  72           1HG      MET  72   1.898  12.345  -2.736
  545    HG3  MET  72           2HG      MET  72   2.299  11.679  -4.315
  546    HE1  MET  72           3HE      MET  72  -1.269  11.991  -2.623
  547    HE2  MET  72           1HE      MET  72  -1.798  13.549  -3.259
  548    HE3  MET  72           2HE      MET  72  -0.436  13.467  -2.138
  549    HA   PRO  73           HA       PRO  73   0.008   7.857  -2.164
  550    HB2  PRO  73           1HB      PRO  73  -1.663   5.795  -1.634
  551    HB3  PRO  73           2HB      PRO  73  -1.705   7.311  -0.727
  552    HG2  PRO  73           1HG      PRO  73  -3.457   6.403  -2.979
  553    HG3  PRO  73           2HG      PRO  73  -3.908   7.208  -1.463
  554    HD2  PRO  73           1HD      PRO  73  -3.683   8.545  -3.806
  555    HD3  PRO  73           2HD      PRO  73  -3.312   9.290  -2.241
  556    H    THR  74           H        THR  74   0.951   5.731  -2.447
  557    HA   THR  74           HA       THR  74   0.560   4.663  -5.149
  558    HB   THR  74           HB       THR  74   3.148   4.759  -3.585
  559    HG1  THR  74           1HG      THR  74   1.959   6.505  -5.388
  560   HG21  THR  74          3HG2      THR  74   2.579   3.884  -6.420
  561   HG22  THR  74          1HG2      THR  74   3.022   2.830  -5.076
  562   HG23  THR  74          2HG2      THR  74   4.178   4.013  -5.688
  563    H    LEU  75           H        LEU  75  -0.221   2.662  -5.121
  564    HA   LEU  75           HA       LEU  75  -0.052   1.127  -2.637
  565    HB2  LEU  75           1HB      LEU  75  -2.014   1.335  -4.848
  566    HB3  LEU  75           2HB      LEU  75  -1.839  -0.215  -4.056
  567    HG   LEU  75           HG       LEU  75  -3.699   1.100  -3.130
  568   HD11  LEU  75          1HD1      LEU  75  -3.070   0.922  -0.756
  569   HD12  LEU  75          2HD1      LEU  75  -1.395   0.664  -1.243
  570   HD13  LEU  75          3HD1      LEU  75  -2.636  -0.504  -1.695
  571   HD21  LEU  75          3HD2      LEU  75  -1.551   3.061  -2.336
  572   HD22  LEU  75          1HD2      LEU  75  -3.225   3.101  -1.779
  573   HD23  LEU  75          2HD2      LEU  75  -2.858   3.336  -3.486
  574    H    LEU  76           H        LEU  76   1.589  -0.240  -2.659
  575    HA   LEU  76           HA       LEU  76   1.942  -1.887  -5.074
  576    HB2  LEU  76           1HB      LEU  76   4.123  -1.232  -3.089
  577    HB3  LEU  76           2HB      LEU  76   4.301  -2.015  -4.645
  578    HG   LEU  76           HG       LEU  76   3.586   0.884  -4.199
  579   HD11  LEU  76          1HD1      LEU  76   6.099  -0.381  -5.284
  580   HD12  LEU  76          2HD1      LEU  76   5.921   0.323  -3.678
  581   HD13  LEU  76          3HD1      LEU  76   5.785   1.346  -5.107
  582   HD21  LEU  76          3HD2      LEU  76   3.890   1.070  -6.640
  583   HD22  LEU  76          1HD2      LEU  76   2.516   0.055  -6.196
  584   HD23  LEU  76          2HD2      LEU  76   4.025  -0.686  -6.729
  585    H    LEU  77           H        LEU  77   1.143  -3.849  -4.651
  586    HA   LEU  77           HA       LEU  77   1.492  -4.848  -1.922
  587    HB2  LEU  77           1HB      LEU  77   0.104  -6.732  -3.495
  588    HB3  LEU  77           2HB      LEU  77  -0.499  -5.762  -2.171
  589    HG   LEU  77           HG       LEU  77  -0.455  -4.828  -5.042
  590   HD11  LEU  77          1HD1      LEU  77  -2.922  -5.310  -4.867
  591   HD12  LEU  77          2HD1      LEU  77  -2.560  -6.216  -3.393
  592   HD13  LEU  77          3HD1      LEU  77  -1.871  -6.723  -4.944
  593   HD21  LEU  77          3HD2      LEU  77  -0.572  -3.124  -3.134
  594   HD22  LEU  77          1HD2      LEU  77  -2.166  -3.796  -2.791
  595   HD23  LEU  77          2HD2      LEU  77  -1.840  -3.059  -4.357
  596    H    PHE  78           H        PHE  78   2.863  -6.357  -1.423
  597    HA   PHE  78           HA       PHE  78   4.412  -7.536  -3.612
  598    HB2  PHE  78           1HB      PHE  78   5.166  -6.552  -0.895
  599    HB3  PHE  78           2HB      PHE  78   6.144  -7.787  -1.670
  600    HD1  PHE  78           2HD      PHE  78   4.832  -4.349  -2.066
  601    HD2  PHE  78           1HD      PHE  78   7.722  -7.212  -3.309
  602    HE1  PHE  78           2HE      PHE  78   6.035  -2.593  -3.302
  603    HE2  PHE  78           1HE      PHE  78   8.930  -5.463  -4.545
  604    HZ   PHE  78           HZ       PHE  78   8.086  -3.151  -4.544
  605    H    LYS  79           H        LYS  79   5.186  -9.670  -3.386
  606    HA   LYS  79           HA       LYS  79   3.867 -11.274  -1.317
  607    HB2  LYS  79           1HB      LYS  79   2.514 -11.386  -3.300
  608    HB3  LYS  79           2HB      LYS  79   3.907 -11.759  -4.299
  609    HG2  LYS  79           1HG      LYS  79   2.703 -13.769  -4.001
  610    HG3  LYS  79           2HG      LYS  79   4.112 -13.887  -2.946
  611    HD2  LYS  79           1HD      LYS  79   2.785 -13.328  -1.021
  612    HD3  LYS  79           2HD      LYS  79   1.380 -12.991  -2.035
  613    HE2  LYS  79           1HE      LYS  79   2.724 -15.670  -1.711
  614    HE3  LYS  79           2HE      LYS  79   1.209 -15.182  -0.955
  615    HZ1  LYS  79           3HZ      LYS  79   1.697 -15.437  -3.875
  616    HZ2  LYS  79           1HZ      LYS  79   0.244 -14.932  -3.170
  617    HZ3  LYS  79           2HZ      LYS  79   0.805 -16.506  -2.920
  618    H    ASN  80           H        ASN  80   5.402 -12.237  -0.230
  619    HA   ASN  80           HA       ASN  80   7.461 -12.932   0.426
  620    HB2  ASN  80           1HB      ASN  80   8.260 -14.964  -0.692
  621    HB3  ASN  80           2HB      ASN  80   6.528 -15.007  -0.423
  622   HD21  ASN  80          1HD2      ASN  80   5.156 -15.047  -2.159
  623   HD22  ASN  80          2HD2      ASN  80   5.705 -15.304  -3.774
  624    H    GLY  81           H        GLY  81   7.693 -10.542  -0.964
  625    HA2  GLY  81           1HA      GLY  81   9.447  -9.187  -1.577
  626    HA3  GLY  81           2HA      GLY  81  10.504 -10.584  -1.457
  627    H    LYS  82           H        LYS  82   7.920 -11.252  -3.519
  628    HA   LYS  82           HA       LYS  82   9.701 -10.839  -5.817
  629    HB2  LYS  82           1HB      LYS  82   8.963 -12.818  -6.641
  630    HB3  LYS  82           2HB      LYS  82   8.564 -13.117  -4.964
  631    HG2  LYS  82           1HG      LYS  82   6.276 -12.534  -5.327
  632    HG3  LYS  82           2HG      LYS  82   6.624 -12.025  -6.981
  633    HD2  LYS  82           1HD      LYS  82   7.333 -14.359  -7.479
  634    HD3  LYS  82           2HD      LYS  82   6.799 -14.818  -5.860
  635    HE2  LYS  82           1HE      LYS  82   5.084 -15.326  -7.507
  636    HE3  LYS  82           2HE      LYS  82   4.532 -14.071  -6.401
  637    HZ1  LYS  82           3HZ      LYS  82   5.025 -12.410  -8.069
  638    HZ2  LYS  82           1HZ      LYS  82   3.976 -13.572  -8.707
  639    HZ3  LYS  82           2HZ      LYS  82   5.612 -13.591  -9.124
  640    H    GLU  83           H        GLU  83   7.108  -9.611  -4.278
  641    HA   GLU  83           HA       GLU  83   5.681  -7.907  -4.740
  642    HB2  GLU  83           1HB      GLU  83   7.424  -7.148  -6.403
  643    HB3  GLU  83           2HB      GLU  83   6.568  -8.073  -7.624
  644    HG2  GLU  83           1HG      GLU  83   4.570  -6.669  -7.216
  645    HG3  GLU  83           2HG      GLU  83   5.530  -5.693  -6.103
  646    H    VAL  84           H        VAL  84   3.596  -7.547  -6.106
  647    HA   VAL  84           HA       VAL  84   2.743  -9.934  -7.509
  648    HB   VAL  84           HB       VAL  84   2.076  -9.881  -4.974
  649   HG11  VAL  84          1HG1      VAL  84   0.070  -8.077  -6.257
  650   HG12  VAL  84          2HG1      VAL  84   0.970  -7.850  -4.759
  651   HG13  VAL  84          3HG1      VAL  84  -0.333  -9.043  -4.839
  652   HG21  VAL  84          3HG2      VAL  84   0.170 -10.672  -7.157
  653   HG22  VAL  84          1HG2      VAL  84   0.144 -11.263  -5.494
  654   HG23  VAL  84          2HG2      VAL  84   1.513 -11.635  -6.543
  655    H    ALA  85           H        ALA  85   2.340  -6.559  -6.716
  656    HA   ALA  85           HA       ALA  85   1.350  -5.998  -9.362
  657    HB1  ALA  85           1HB      ALA  85  -0.689  -6.622  -7.876
  658    HB2  ALA  85           2HB      ALA  85  -0.769  -5.191  -8.910
  659    HB3  ALA  85           3HB      ALA  85  -0.435  -5.018  -7.182
  660    H    LYS  86           H        LYS  86   1.117  -3.687  -9.746
  661    HA   LYS  86           HA       LYS  86   2.276  -1.973  -7.713
  662    HB2  LYS  86           1HB      LYS  86   4.185  -2.714  -9.056
  663    HB3  LYS  86           2HB      LYS  86   3.363  -2.234 -10.529
  664    HG2  LYS  86           1HG      LYS  86   3.809  -0.127  -8.503
  665    HG3  LYS  86           2HG      LYS  86   5.227  -0.743  -9.348
  666    HD2  LYS  86           1HD      LYS  86   4.139  -0.238 -11.495
  667    HD3  LYS  86           2HD      LYS  86   2.744   0.401 -10.627
  668    HE2  LYS  86           1HE      LYS  86   4.213   2.197 -11.371
  669    HE3  LYS  86           2HE      LYS  86   4.153   2.121  -9.612
  670    HZ1  LYS  86           3HZ      LYS  86   6.328   1.059 -11.335
  671    HZ2  LYS  86           1HZ      LYS  86   6.275   0.938  -9.651
  672    HZ3  LYS  86           2HZ      LYS  86   6.402   2.452 -10.383
  673    H    VAL  87           H        VAL  87   0.673  -0.539  -7.430
  674    HA   VAL  87           HA       VAL  87  -0.438   0.758  -9.843
  675    HB   VAL  87           HB       VAL  87  -1.857   0.705  -7.176
  676   HG11  VAL  87          1HG1      VAL  87  -3.817   1.237  -8.571
  677   HG12  VAL  87          2HG1      VAL  87  -2.780   1.246  -9.998
  678   HG13  VAL  87          3HG1      VAL  87  -2.533   2.440  -8.719
  679   HG21  VAL  87          3HG2      VAL  87  -1.573  -1.634  -7.935
  680   HG22  VAL  87          1HG2      VAL  87  -2.382  -1.217  -9.445
  681   HG23  VAL  87          2HG2      VAL  87  -3.262  -1.115  -7.914
  682    H    VAL  88           H        VAL  88  -0.631   2.986  -9.800
  683    HA   VAL  88           HA       VAL  88   0.489   4.437  -7.565
  684    HB   VAL  88           HB       VAL  88   2.498   3.671  -8.563
  685   HG11  VAL  88          1HG1      VAL  88   3.034   3.891 -10.913
  686   HG12  VAL  88          2HG1      VAL  88   1.479   4.667 -11.213
  687   HG13  VAL  88          3HG1      VAL  88   1.534   2.975 -10.697
  688   HG21  VAL  88          3HG2      VAL  88   2.040   6.491  -9.524
  689   HG22  VAL  88          1HG2      VAL  88   3.604   5.723  -9.258
  690   HG23  VAL  88          2HG2      VAL  88   2.525   6.023  -7.894
  691    H    GLY  89           H        GLY  89  -1.578   5.446  -7.642
  692    HA2  GLY  89           1HA      GLY  89  -1.548   7.980  -8.675
  693    HA3  GLY  89           2HA      GLY  89  -2.333   7.023  -9.920
  694    H    ALA  90           H        ALA  90  -2.511   6.996  -6.359
  695    HA   ALA  90           HA       ALA  90  -4.276   7.036  -4.925
  696    HB1  ALA  90           1HB      ALA  90  -4.379   9.361  -5.710
  697    HB2  ALA  90           2HB      ALA  90  -5.980   8.732  -5.317
  698    HB3  ALA  90           3HB      ALA  90  -5.476   8.868  -7.001
  699    H    ASN  91           H        ASN  91  -4.822   4.842  -5.147
  700    HA   ASN  91           HA       ASN  91  -7.057   4.310  -6.981
  701    HB2  ASN  91           1HB      ASN  91  -6.196   1.967  -7.121
  702    HB3  ASN  91           2HB      ASN  91  -5.152   3.175  -7.859
  703   HD21  ASN  91          1HD2      ASN  91  -4.781   0.434  -6.623
  704   HD22  ASN  91          2HD2      ASN  91  -3.448   0.641  -5.548
  705    HA   PRO  92           HA       PRO  92  -8.767   2.869  -2.983
  706    HB2  PRO  92           1HB      PRO  92 -11.221   4.162  -3.795
  707    HB3  PRO  92           2HB      PRO  92 -10.228   4.492  -2.377
  708    HG2  PRO  92           1HG      PRO  92 -10.544   6.196  -4.528
  709    HG3  PRO  92           2HG      PRO  92  -9.209   6.261  -3.371
  710    HD2  PRO  92           1HD      PRO  92  -9.270   5.190  -6.136
  711    HD3  PRO  92           2HD      PRO  92  -7.929   5.921  -5.238
  712    H    ALA  93           H        ALA  93 -10.164   3.253  -6.234
  713    HA   ALA  93           HA       ALA  93 -11.696   0.797  -5.956
  714    HB1  ALA  93           1HB      ALA  93 -12.689   2.752  -7.078
  715    HB2  ALA  93           2HB      ALA  93 -12.631   1.330  -8.119
  716    HB3  ALA  93           3HB      ALA  93 -11.461   2.630  -8.338
  717    H    ALA  94           H        ALA  94  -8.916   2.012  -7.763
  718    HA   ALA  94           HA       ALA  94  -8.594  -0.358  -9.329
  719    HB1  ALA  94           1HB      ALA  94  -6.692   1.926  -8.838
  720    HB2  ALA  94           2HB      ALA  94  -7.792   1.736 -10.197
  721    HB3  ALA  94           3HB      ALA  94  -6.434   0.630  -9.999
  722    H    ILE  95           H        ILE  95  -7.666   0.505  -6.112
  723    HA   ILE  95           HA       ILE  95  -5.569  -1.316  -5.762
  724    HB   ILE  95           HB       ILE  95  -6.497   0.258  -3.966
  725   HG12  ILE  95          1HG1      ILE  95  -5.650  -1.103  -2.180
  726   HG13  ILE  95          2HG1      ILE  95  -6.071  -2.589  -3.027
  727   HG21  ILE  95          1HG2      ILE  95  -8.361  -2.053  -3.477
  728   HG22  ILE  95          2HG2      ILE  95  -8.833  -0.461  -4.080
  729   HG23  ILE  95          3HG2      ILE  95  -8.175  -0.626  -2.452
  730   HD11  ILE  95          3HD1      ILE  95  -4.005  -0.639  -4.005
  731   HD12  ILE  95          1HD1      ILE  95  -4.324  -2.266  -4.603
  732   HD13  ILE  95          2HD1      ILE  95  -3.646  -2.037  -2.991
  733    H    LYS  96           H        LYS  96  -9.035  -1.695  -5.937
  734    HA   LYS  96           HA       LYS  96  -9.266  -4.354  -5.182
  735    HB2  LYS  96           1HB      LYS  96 -10.860  -2.766  -7.184
  736    HB3  LYS  96           2HB      LYS  96 -11.274  -4.414  -6.736
  737    HG2  LYS  96           1HG      LYS  96 -11.100  -2.070  -4.866
  738    HG3  LYS  96           2HG      LYS  96 -12.583  -2.795  -5.484
  739    HD2  LYS  96           1HD      LYS  96 -10.520  -4.226  -3.798
  740    HD3  LYS  96           2HD      LYS  96 -12.032  -3.544  -3.190
  741    HE2  LYS  96           1HE      LYS  96 -13.263  -5.026  -4.767
  742    HE3  LYS  96           2HE      LYS  96 -11.725  -5.767  -5.203
  743    HZ1  LYS  96           3HZ      LYS  96 -12.874  -7.073  -3.548
  744    HZ2  LYS  96           1HZ      LYS  96 -12.940  -5.751  -2.496
  745    HZ3  LYS  96           2HZ      LYS  96 -11.450  -6.441  -2.893
  746    H    GLN  97           H        GLN  97  -8.517  -2.993  -8.388
  747    HA   GLN  97           HA       GLN  97  -8.216  -5.195  -9.934
  748    HB2  GLN  97           1HB      GLN  97  -7.624  -3.410 -11.159
  749    HB3  GLN  97           2HB      GLN  97  -7.098  -2.511  -9.764
  750    HG2  GLN  97           1HG      GLN  97  -5.265  -2.706 -11.288
  751    HG3  GLN  97           2HG      GLN  97  -4.920  -3.668  -9.856
  752   HE21  GLN  97          1HE2      GLN  97  -3.434  -4.988 -10.840
  753   HE22  GLN  97          2HE2      GLN  97  -3.876  -6.149 -12.051
  754    H    ALA  98           H        ALA  98  -5.644  -3.848  -7.849
  755    HA   ALA  98           HA       ALA  98  -4.009  -6.186  -8.272
  756    HB1  ALA  98           1HB      ALA  98  -2.981  -3.979  -8.034
  757    HB2  ALA  98           2HB      ALA  98  -2.405  -5.053  -6.755
  758    HB3  ALA  98           3HB      ALA  98  -3.636  -3.838  -6.405
  759    H    ILE  99           H        ILE  99  -6.264  -5.176  -5.954
  760    HA   ILE  99           HA       ILE  99  -5.191  -6.764  -3.828
  761    HB   ILE  99           HB       ILE  99  -6.812  -4.527  -3.944
  762   HG12  ILE  99          1HG1      ILE  99  -5.239  -4.867  -2.227
  763   HG13  ILE  99          2HG1      ILE  99  -6.811  -4.843  -1.425
  764   HG21  ILE  99          1HG2      ILE  99  -8.850  -4.941  -2.858
  765   HG22  ILE  99          2HG2      ILE  99  -8.450  -6.641  -2.597
  766   HG23  ILE  99          3HG2      ILE  99  -8.784  -6.056  -4.227
  767   HD11  ILE  99          3HD1      ILE  99  -6.039  -6.721  -0.456
  768   HD12  ILE  99          1HD1      ILE  99  -4.910  -7.056  -1.774
  769   HD13  ILE  99          2HD1      ILE  99  -6.619  -7.457  -1.964
  770    H    ALA 100           H        ALA 100  -7.916  -7.016  -6.021
  771    HA   ALA 100           HA       ALA 100  -8.851  -9.371  -4.633
  772    HB1  ALA 100           1HB      ALA 100  -9.942  -8.038  -7.113
  773    HB2  ALA 100           2HB      ALA 100 -10.503  -7.778  -5.461
  774    HB3  ALA 100           3HB      ALA 100 -10.712  -9.353  -6.226
  775    H    ALA 101           H        ALA 101  -7.256  -8.506  -7.656
  776    HA   ALA 101           HA       ALA 101  -7.386 -11.091  -8.824
  777    HB1  ALA 101           1HB      ALA 101  -5.708 -10.287 -10.376
  778    HB2  ALA 101           2HB      ALA 101  -5.366  -8.907  -9.331
  779    HB3  ALA 101           3HB      ALA 101  -6.938  -9.050 -10.123
  780    H    ASN 102           H        ASN 102  -5.062  -9.464  -6.722
  781    HA   ASN 102           HA       ASN 102  -3.278 -11.776  -6.951
  782    HB2  ASN 102           1HB      ASN 102  -2.891  -9.089  -5.649
  783    HB3  ASN 102           2HB      ASN 102  -1.659 -10.349  -5.764
  784   HD21  ASN 102          1HD2      ASN 102  -2.109  -7.579  -6.963
  785   HD22  ASN 102          2HD2      ASN 102  -1.772  -7.804  -8.644
  786    H    ALA 103           H        ALA 103  -4.414  -9.801  -4.177
  787    HA   ALA 103           HA       ALA 103  -3.949 -11.863  -2.283
  788    HB1  ALA 103           1HB      ALA 103  -5.306 -10.526  -0.735
  789    HB2  ALA 103           2HB      ALA 103  -5.847  -9.521  -2.079
  790    HB3  ALA 103           3HB      ALA 103  -4.152  -9.516  -1.606
  Start of MODEL   11
    1    H1   MET   1           1H       MET   1  -9.462  -3.511   9.358
    2    H2   MET   1           2H       MET   1  -7.997  -4.348   9.498
    3    H3   MET   1           3H       MET   1  -8.437  -3.665   8.016
    4    HA   MET   1           HA       MET   1  -8.326  -1.458   8.979
    5    HB2  MET   1           1HB      MET   1  -7.370  -1.139  11.189
    6    HB3  MET   1           2HB      MET   1  -8.807  -2.140  11.303
    7    HG2  MET   1           1HG      MET   1  -7.324  -4.136  11.403
    8    HG3  MET   1           2HG      MET   1  -5.945  -3.045  11.462
    9    HE1  MET   1           3HE      MET   1  -6.590  -5.317  13.667
   10    HE2  MET   1           1HE      MET   1  -6.167  -4.426  15.130
   11    HE3  MET   1           2HE      MET   1  -5.167  -4.276  13.685
   12    H    VAL   2           H        VAL   2  -6.559  -0.355   8.326
   13    HA   VAL   2           HA       VAL   2  -4.249  -2.000   7.601
   14    HB   VAL   2           HB       VAL   2  -4.606  -0.988   5.640
   15   HG11  VAL   2          1HG1      VAL   2  -6.729  -0.114   6.296
   16   HG12  VAL   2          2HG1      VAL   2  -5.869   1.051   5.290
   17   HG13  VAL   2          3HG1      VAL   2  -5.960   1.289   7.038
   18   HG21  VAL   2          3HG2      VAL   2  -3.314   1.306   7.099
   19   HG22  VAL   2          1HG2      VAL   2  -3.500   1.220   5.352
   20   HG23  VAL   2          2HG2      VAL   2  -2.512   0.030   6.186
   21    H    THR   3           H        THR   3  -2.154  -1.438   8.055
   22    HA   THR   3           HA       THR   3  -1.837   0.163  10.500
   23    HB   THR   3           HB       THR   3  -0.862  -2.427   9.621
   24    HG1  THR   3           1HG      THR   3  -0.426  -1.394  12.192
   25   HG21  THR   3          3HG2      THR   3   1.193  -1.098   9.157
   26   HG22  THR   3          1HG2      THR   3   1.403  -2.306  10.439
   27   HG23  THR   3          2HG2      THR   3   1.201  -0.604  10.858
   28    H    GLN   4           H        GLN   4  -0.153   1.611  10.736
   29    HA   GLN   4           HA       GLN   4   1.299   2.350   8.304
   30    HB2  GLN   4           1HB      GLN   4   2.033   4.296   9.923
   31    HB3  GLN   4           2HB      GLN   4   0.465   4.324   9.133
   32    HG2  GLN   4           1HG      GLN   4   0.016   4.932  11.332
   33    HG3  GLN   4           2HG      GLN   4  -0.443   3.235  11.241
   34   HE21  GLN   4          1HE2      GLN   4   2.864   4.416  11.493
   35   HE22  GLN   4          2HE2      GLN   4   3.156   3.778  13.072
   36    H    PHE   5           H        PHE   5   3.418   1.964   8.072
   37    HA   PHE   5           HA       PHE   5   4.897   0.658  10.204
   38    HB2  PHE   5           1HB      PHE   5   5.582   1.293   7.338
   39    HB3  PHE   5           2HB      PHE   5   6.779   0.687   8.469
   40    HD1  PHE   5           1HD      PHE   5   5.010  -1.282   9.935
   41    HD2  PHE   5           2HD      PHE   5   5.536  -0.444   5.796
   42    HE1  PHE   5           1HE      PHE   5   4.396  -3.598   9.392
   43    HE2  PHE   5           2HE      PHE   5   4.919  -2.761   5.238
   44    HZ   PHE   5           HZ       PHE   5   4.347  -4.339   7.047
   45    H    LYS   6           H        LYS   6   7.149   1.404  10.641
   46    HA   LYS   6           HA       LYS   6   7.171   4.333  10.844
   47    HB2  LYS   6           1HB      LYS   6   8.404   4.033  12.974
   48    HB3  LYS   6           2HB      LYS   6   6.780   3.355  13.007
   49    HG2  LYS   6           1HG      LYS   6   7.798   1.125  12.524
   50    HG3  LYS   6           2HG      LYS   6   9.383   1.865  12.749
   51    HD2  LYS   6           1HD      LYS   6   8.776   2.491  15.029
   52    HD3  LYS   6           2HD      LYS   6   7.174   1.787  14.804
   53    HE2  LYS   6           1HE      LYS   6   8.496   0.209  16.009
   54    HE3  LYS   6           2HE      LYS   6   8.285  -0.409  14.373
   55    HZ1  LYS   6           3HZ      LYS   6  10.506   0.421  13.834
   56    HZ2  LYS   6           1HZ      LYS   6  10.553  -0.693  15.105
   57    HZ3  LYS   6           2HZ      LYS   6  10.702   0.963  15.421
   58    H    THR   7           H        THR   7   8.975   1.527   9.900
   59    HA   THR   7           HA       THR   7  11.180   3.294   9.157
   60    HB   THR   7           HB       THR   7  12.795   1.463   9.626
   61    HG1  THR   7           1HG      THR   7  12.034  -0.120  11.176
   62   HG21  THR   7          3HG2      THR   7  11.272   2.543  11.994
   63   HG22  THR   7          1HG2      THR   7  12.592   3.348  11.150
   64   HG23  THR   7          2HG2      THR   7  12.896   1.862  12.048
   65    H    ALA   8           H        ALA   8  12.470   2.639   7.381
   66    HA   ALA   8           HA       ALA   8  11.114   1.486   5.223
   67    HB1  ALA   8           1HB      ALA   8  13.312   1.375   4.133
   68    HB2  ALA   8           2HB      ALA   8  14.100   1.675   5.682
   69    HB3  ALA   8           3HB      ALA   8  13.086   2.920   4.953
   70    H    SER   9           H        SER   9  13.209   0.176   7.691
   71    HA   SER   9           HA       SER   9  13.534  -2.424   6.717
   72    HB2  SER   9           1HB      SER   9  13.337  -1.619   9.623
   73    HB3  SER   9           2HB      SER   9  14.225  -2.985   8.946
   74    HG   SER   9           HG       SER   9  15.173  -0.941   7.678
   75    H    GLU  10           H        GLU  10  10.907  -0.915   8.570
   76    HA   GLU  10           HA       GLU  10   9.501  -3.288   9.203
   77    HB2  GLU  10           1HB      GLU  10   8.550  -0.465   8.728
   78    HB3  GLU  10           2HB      GLU  10   7.468  -1.759   9.220
   79    HG2  GLU  10           1HG      GLU  10   9.871  -0.829  10.767
   80    HG3  GLU  10           2HG      GLU  10   8.205  -0.354  11.089
   81    H    PHE  11           H        PHE  11   9.217  -1.077   6.469
   82    HA   PHE  11           HA       PHE  11   7.173  -2.458   5.121
   83    HB2  PHE  11           1HB      PHE  11   7.321  -0.371   4.289
   84    HB3  PHE  11           2HB      PHE  11   9.054  -0.260   4.553
   85    HD1  PHE  11           2HD      PHE  11   6.420  -1.231   2.203
   86    HD2  PHE  11           1HD      PHE  11  10.613  -0.892   2.828
   87    HE1  PHE  11           2HE      PHE  11   6.791  -1.480  -0.213
   88    HE2  PHE  11           1HE      PHE  11  10.994  -1.133   0.408
   89    HZ   PHE  11           HZ       PHE  11   9.082  -1.430  -1.115
   90    H    ASP  12           H        ASP  12  10.691  -2.561   4.736
   91    HA   ASP  12           HA       ASP  12  10.747  -4.229   2.492
   92    HB2  ASP  12           1HB      ASP  12  12.707  -2.979   3.196
   93    HB3  ASP  12           2HB      ASP  12  12.809  -3.922   4.679
   94    H    SER  13           H        SER  13  10.853  -5.051   5.937
   95    HA   SER  13           HA       SER  13  11.296  -7.814   5.525
   96    HB2  SER  13           1HB      SER  13  11.813  -6.669   7.651
   97    HB3  SER  13           2HB      SER  13  10.092  -6.405   7.922
   98    HG   SER  13           HG       SER  13  11.564  -8.804   7.991
   99    H    ALA  14           H        ALA  14   8.385  -5.865   5.843
  100    HA   ALA  14           HA       ALA  14   6.582  -8.041   6.069
  101    HB1  ALA  14           1HB      ALA  14   4.849  -6.385   5.435
  102    HB2  ALA  14           2HB      ALA  14   6.131  -5.211   5.138
  103    HB3  ALA  14           3HB      ALA  14   5.879  -5.850   6.762
  104    H    ILE  15           H        ILE  15   7.617  -6.054   3.305
  105    HA   ILE  15           HA       ILE  15   5.913  -7.358   1.463
  106    HB   ILE  15           HB       ILE  15   7.251  -6.304  -0.297
  107   HG12  ILE  15          1HG1      ILE  15   8.978  -5.141   1.876
  108   HG13  ILE  15          2HG1      ILE  15   9.434  -6.596   1.003
  109   HG21  ILE  15          1HG2      ILE  15   6.643  -4.483   2.028
  110   HG22  ILE  15          2HG2      ILE  15   5.496  -5.027   0.804
  111   HG23  ILE  15          3HG2      ILE  15   6.837  -3.976   0.350
  112   HD11  ILE  15          3HD1      ILE  15   8.941  -3.885  -0.201
  113   HD12  ILE  15          1HD1      ILE  15   9.382  -5.341  -1.093
  114   HD13  ILE  15          2HD1      ILE  15  10.511  -4.641   0.067
  115    H    ALA  16           H        ALA  16   8.931  -8.223   2.865
  116    HA   ALA  16           HA       ALA  16   9.724 -10.023   0.750
  117    HB1  ALA  16           1HB      ALA  16  11.379  -8.894   2.194
  118    HB2  ALA  16           2HB      ALA  16  11.540 -10.652   2.209
  119    HB3  ALA  16           3HB      ALA  16  10.774  -9.826   3.565
  120    H    GLN  17           H        GLN  17   7.436 -10.157   3.155
  121    HA   GLN  17           HA       GLN  17   7.750 -12.879   3.932
  122    HB2  GLN  17           1HB      GLN  17   5.338 -11.065   4.105
  123    HB3  GLN  17           2HB      GLN  17   5.455 -12.652   4.852
  124    HG2  GLN  17           1HG      GLN  17   7.359 -11.855   6.181
  125    HG3  GLN  17           2HG      GLN  17   7.152 -10.251   5.479
  126   HE21  GLN  17          1HE2      GLN  17   7.018 -11.002   8.247
  127   HE22  GLN  17          2HE2      GLN  17   5.436 -10.586   8.804
  128    H    ASP  18           H        ASP  18   6.475 -14.644   3.321
  129    HA   ASP  18           HA       ASP  18   5.757 -14.644   0.517
  130    HB2  ASP  18           1HB      ASP  18   5.820 -16.766   2.627
  131    HB3  ASP  18           2HB      ASP  18   5.254 -17.085   0.996
  132    H    LYS  19           H        LYS  19   4.162 -12.957   1.578
  133    HA   LYS  19           HA       LYS  19   1.520 -14.122   1.312
  134    HB2  LYS  19           1HB      LYS  19   0.673 -13.497   3.358
  135    HB3  LYS  19           2HB      LYS  19   2.253 -14.115   3.785
  136    HG2  LYS  19           1HG      LYS  19   3.106 -12.020   4.257
  137    HG3  LYS  19           2HG      LYS  19   1.883 -11.193   3.285
  138    HD2  LYS  19           1HD      LYS  19   1.341 -12.670   5.859
  139    HD3  LYS  19           2HD      LYS  19   1.518 -10.918   5.714
  140    HE2  LYS  19           1HE      LYS  19  -0.428 -10.730   4.394
  141    HE3  LYS  19           2HE      LYS  19  -0.504 -12.469   4.113
  142    HZ1  LYS  19           3HZ      LYS  19  -2.140 -11.917   5.717
  143    HZ2  LYS  19           1HZ      LYS  19  -1.041 -11.022   6.651
  144    HZ3  LYS  19           2HZ      LYS  19  -0.897 -12.707   6.547
  145    H    LEU  20           H        LEU  20  -0.131 -12.257   1.407
  146    HA   LEU  20           HA       LEU  20   0.716 -10.234  -0.427
  147    HB2  LEU  20           1HB      LEU  20  -1.607 -11.396  -0.140
  148    HB3  LEU  20           2HB      LEU  20  -1.868 -10.192   1.097
  149    HG   LEU  20           HG       LEU  20  -2.902  -9.516  -0.992
  150   HD11  LEU  20          1HD1      LEU  20  -1.969  -7.299  -1.228
  151   HD12  LEU  20          2HD1      LEU  20  -0.514  -7.806  -0.369
  152   HD13  LEU  20          3HD1      LEU  20  -2.066  -7.767   0.468
  153   HD21  LEU  20          3HD2      LEU  20  -0.134  -9.542  -2.175
  154   HD22  LEU  20          1HD2      LEU  20  -1.616  -9.035  -2.985
  155   HD23  LEU  20          2HD2      LEU  20  -1.397 -10.724  -2.520
  156    H    VAL  21           H        VAL  21   2.002  -8.627   0.324
  157    HA   VAL  21           HA       VAL  21   0.894  -7.074   2.568
  158    HB   VAL  21           HB       VAL  21   3.807  -7.382   1.808
  159   HG11  VAL  21          1HG1      VAL  21   3.286  -5.007   2.206
  160   HG12  VAL  21          2HG1      VAL  21   4.298  -5.674   3.495
  161   HG13  VAL  21          3HG1      VAL  21   2.571  -5.437   3.761
  162   HG21  VAL  21          3HG2      VAL  21   2.285  -7.902   4.365
  163   HG22  VAL  21          1HG2      VAL  21   4.029  -8.070   4.163
  164   HG23  VAL  21          2HG2      VAL  21   2.931  -9.122   3.269
  165    H    VAL  22           H        VAL  22  -0.214  -5.486   1.636
  166    HA   VAL  22           HA       VAL  22   1.117  -4.019  -0.510
  167    HB   VAL  22           HB       VAL  22  -0.907  -4.461  -1.420
  168   HG11  VAL  22          1HG1      VAL  22  -2.266  -4.047   1.224
  169   HG12  VAL  22          2HG1      VAL  22  -1.777  -5.610   0.562
  170   HG13  VAL  22          3HG1      VAL  22  -2.997  -4.645  -0.268
  171   HG21  VAL  22          3HG2      VAL  22  -1.412  -1.916   0.107
  172   HG22  VAL  22          1HG2      VAL  22  -2.341  -2.465  -1.287
  173   HG23  VAL  22          2HG2      VAL  22  -0.632  -2.064  -1.469
  174    H    VAL  23           H        VAL  23   2.220  -2.380   0.088
  175    HA   VAL  23           HA       VAL  23   1.374  -0.740   2.372
  176    HB   VAL  23           HB       VAL  23   3.988  -0.801   0.849
  177   HG11  VAL  23          1HG1      VAL  23   3.547   1.402   1.780
  178   HG12  VAL  23          2HG1      VAL  23   4.852   0.601   2.656
  179   HG13  VAL  23          3HG1      VAL  23   3.236   0.682   3.359
  180   HG21  VAL  23          3HG2      VAL  23   4.841  -1.772   3.005
  181   HG22  VAL  23          1HG2      VAL  23   3.753  -2.819   2.094
  182   HG23  VAL  23          2HG2      VAL  23   3.163  -1.949   3.507
  183    H    ALA  24           H        ALA  24   0.820   1.418   2.131
  184    HA   ALA  24           HA       ALA  24   0.985   2.586  -0.568
  185    HB1  ALA  24           1HB      ALA  24  -1.352   1.911   0.377
  186    HB2  ALA  24           2HB      ALA  24  -1.138   3.430  -0.487
  187    HB3  ALA  24           3HB      ALA  24  -1.184   3.422   1.274
  188    H    PHE  25           H        PHE  25   1.652   4.589  -0.828
  189    HA   PHE  25           HA       PHE  25   2.891   5.802   1.499
  190    HB2  PHE  25           1HB      PHE  25   3.082   6.361  -1.450
  191    HB3  PHE  25           2HB      PHE  25   3.951   7.288  -0.222
  192    HD1  PHE  25           1HD      PHE  25   5.350   5.807   1.465
  193    HD2  PHE  25           2HD      PHE  25   4.124   4.569  -2.412
  194    HE1  PHE  25           1HE      PHE  25   7.130   4.110   1.440
  195    HE2  PHE  25           2HE      PHE  25   5.903   2.873  -2.444
  196    HZ   PHE  25           HZ       PHE  25   7.400   2.639  -0.518
  197    H    TYR  26           H        TYR  26   2.182   7.491   2.516
  198    HA   TYR  26           HA       TYR  26  -0.092   9.042   1.442
  199    HB2  TYR  26           1HB      TYR  26   0.451   7.794   4.079
  200    HB3  TYR  26           2HB      TYR  26  -0.262   9.399   4.117
  201    HD1  TYR  26           1HD      TYR  26  -0.836   6.406   1.950
  202    HD2  TYR  26           2HD      TYR  26  -2.452   9.263   4.650
  203    HE1  TYR  26           1HE      TYR  26  -3.064   5.416   1.661
  204    HE2  TYR  26           2HE      TYR  26  -4.681   8.284   4.369
  205    HH   TYR  26           HH       TYR  26  -5.872   6.953   2.629
  206    H    ALA  27           H        ALA  27  -0.278  11.044   3.106
  207    HA   ALA  27           HA       ALA  27   2.175  12.053   4.129
  208    HB1  ALA  27           1HB      ALA  27   2.523  12.614   1.774
  209    HB2  ALA  27           2HB      ALA  27   2.305  14.069   2.746
  210    HB3  ALA  27           3HB      ALA  27   0.982  13.472   1.744
  211    H    THR  28           H        THR  28   1.778  14.329   5.027
  212    HA   THR  28           HA       THR  28  -0.613  14.351   6.524
  213    HB   THR  28           HB       THR  28   0.983  16.808   6.146
  214    HG1  THR  28           1HG      THR  28   1.854  14.428   7.453
  215   HG21  THR  28          3HG2      THR  28  -0.882  16.777   7.744
  216   HG22  THR  28          1HG2      THR  28   0.663  17.010   8.561
  217   HG23  THR  28          2HG2      THR  28  -0.121  15.431   8.589
  218    H    TRP  29           H        TRP  29   0.378  15.787   3.547
  219    HA   TRP  29           HA       TRP  29  -2.004  17.428   3.300
  220    HB2  TRP  29           1HB      TRP  29  -0.882  18.152   1.163
  221    HB3  TRP  29           2HB      TRP  29   0.010  18.504   2.636
  222    HD1  TRP  29           HD       TRP  29   0.025  16.114  -0.334
  223    HE1  TRP  29           1HE      TRP  29   2.420  15.191  -0.665
  224    HE3  TRP  29           3HE      TRP  29   2.208  18.098   3.821
  225    HZ2  TRP  29           2HZ      TRP  29   4.895  15.295   0.688
  226    HZ3  TRP  29           3HZ      TRP  29   4.592  17.641   4.237
  227    HH2  TRP  29           HH       TRP  29   5.905  16.271   2.704
  228    H    CYS  30           H        CYS  30  -1.712  16.987   0.293
  229    HA   CYS  30           HA       CYS  30  -2.652  15.857  -1.375
  230    HB2  CYS  30           1HB      CYS  30  -2.350  13.393  -1.454
  231    HB3  CYS  30           2HB      CYS  30  -0.881  14.307  -1.150
  232    H    GLY  31           H        GLY  31  -4.642  16.087  -1.757
  233    HA2  GLY  31           1HA      GLY  31  -6.801  15.489  -0.088
  234    HA3  GLY  31           2HA      GLY  31  -6.897  15.771  -1.815
  235    HA   PRO  32           HA       PRO  32  -7.489  11.490  -2.817
  236    HB2  PRO  32           1HB      PRO  32  -4.680  10.632  -3.178
  237    HB3  PRO  32           2HB      PRO  32  -6.036  10.533  -4.305
  238    HG2  PRO  32           1HG      PRO  32  -4.100  12.312  -4.673
  239    HG3  PRO  32           2HG      PRO  32  -5.793  12.734  -4.991
  240    HD2  PRO  32           1HD      PRO  32  -4.087  13.410  -2.619
  241    HD3  PRO  32           2HD      PRO  32  -5.233  14.436  -3.495
  242    H    CYS  33           H        CYS  33  -4.541  11.674  -0.870
  243    HA   CYS  33           HA       CYS  33  -4.602   9.214   0.393
  244    HB2  CYS  33           1HB      CYS  33  -3.852  11.816   1.733
  245    HB3  CYS  33           2HB      CYS  33  -3.247  10.207   2.112
  246    H    LYS  34           H        LYS  34  -6.320  12.179   1.232
  247    HA   LYS  34           HA       LYS  34  -7.403  11.262   3.656
  248    HB2  LYS  34           1HB      LYS  34  -8.652  13.273   1.783
  249    HB3  LYS  34           2HB      LYS  34  -8.911  13.133   3.515
  250    HG2  LYS  34           1HG      LYS  34  -6.324  13.905   2.184
  251    HG3  LYS  34           2HG      LYS  34  -7.460  15.008   2.957
  252    HD2  LYS  34           1HD      LYS  34  -7.089  13.899   5.102
  253    HD3  LYS  34           2HD      LYS  34  -5.969  12.772   4.331
  254    HE2  LYS  34           1HE      LYS  34  -4.512  14.641   3.717
  255    HE3  LYS  34           2HE      LYS  34  -5.632  15.767   4.483
  256    HZ1  LYS  34           3HZ      LYS  34  -4.203  13.588   5.896
  257    HZ2  LYS  34           1HZ      LYS  34  -5.188  14.762   6.600
  258    HZ3  LYS  34           2HZ      LYS  34  -3.720  15.204   5.889
  259    H    MET  35           H        MET  35  -8.891  11.417   0.400
  260    HA   MET  35           HA       MET  35 -11.352  10.350   1.262
  261    HB2  MET  35           1HB      MET  35 -11.910  10.082  -1.095
  262    HB3  MET  35           2HB      MET  35 -11.224  11.661  -0.764
  263    HG2  MET  35           1HG      MET  35  -9.075  10.884  -1.659
  264    HG3  MET  35           2HG      MET  35  -9.814   9.325  -2.016
  265    HE1  MET  35           3HE      MET  35  -8.358  10.704  -4.365
  266    HE2  MET  35           1HE      MET  35  -9.568  10.603  -5.641
  267    HE3  MET  35           2HE      MET  35  -9.336   9.248  -4.538
  268    H    ILE  36           H        ILE  36  -8.623   8.707  -0.385
  269    HA   ILE  36           HA       ILE  36 -10.064   6.238  -0.283
  270    HB   ILE  36           HB       ILE  36  -8.612   5.438  -1.720
  271   HG12  ILE  36          1HG1      ILE  36  -7.214   4.882   0.342
  272   HG13  ILE  36          2HG1      ILE  36  -6.438   4.812  -1.222
  273   HG21  ILE  36          1HG2      ILE  36  -7.180   8.067  -1.497
  274   HG22  ILE  36          2HG2      ILE  36  -8.525   7.679  -2.570
  275   HG23  ILE  36          3HG2      ILE  36  -6.965   6.887  -2.791
  276   HD11  ILE  36          3HD1      ILE  36  -5.073   5.795   0.603
  277   HD12  ILE  36          1HD1      ILE  36  -6.225   7.136   0.674
  278   HD13  ILE  36          2HD1      ILE  36  -5.283   6.865  -0.798
  279    H    ALA  37           H        ALA  37  -8.361   8.021   2.005
  280    HA   ALA  37           HA       ALA  37  -7.142   6.012   3.500
  281    HB1  ALA  37           1HB      ALA  37  -6.769   8.407   3.855
  282    HB2  ALA  37           2HB      ALA  37  -7.130   7.538   5.356
  283    HB3  ALA  37           3HB      ALA  37  -8.372   8.532   4.593
  284    HA   PRO  38           HA       PRO  38 -11.253   5.227   5.864
  285    HB2  PRO  38           1HB      PRO  38 -13.535   6.179   4.676
  286    HB3  PRO  38           2HB      PRO  38 -12.719   6.967   6.031
  287    HG2  PRO  38           1HG      PRO  38 -12.561   7.576   3.110
  288    HG3  PRO  38           2HG      PRO  38 -12.660   8.693   4.486
  289    HD2  PRO  38           1HD      PRO  38 -10.336   8.201   3.244
  290    HD3  PRO  38           2HD      PRO  38 -10.418   8.462   4.997
  291    H    MET  39           H        MET  39 -11.344   5.648   2.317
  292    HA   MET  39           HA       MET  39 -13.005   3.402   1.848
  293    HB2  MET  39           1HB      MET  39 -10.968   4.658   0.013
  294    HB3  MET  39           2HB      MET  39 -12.167   3.475  -0.480
  295    HG2  MET  39           1HG      MET  39 -13.953   5.018   0.143
  296    HG3  MET  39           2HG      MET  39 -12.750   6.210   0.635
  297    HE1  MET  39           3HE      MET  39 -14.249   7.734  -2.662
  298    HE2  MET  39           1HE      MET  39 -13.877   8.042  -0.968
  299    HE3  MET  39           2HE      MET  39 -15.093   6.841  -1.397
  300    H    ILE  40           H        ILE  40  -9.421   3.561   1.300
  301    HA   ILE  40           HA       ILE  40  -9.157   0.808   1.052
  302    HB   ILE  40           HB       ILE  40  -7.240   3.018   1.703
  303   HG12  ILE  40          1HG1      ILE  40  -7.451   0.915  -0.468
  304   HG13  ILE  40          2HG1      ILE  40  -8.084   2.552  -0.579
  305   HG21  ILE  40          1HG2      ILE  40  -6.637   0.081   1.901
  306   HG22  ILE  40          2HG2      ILE  40  -6.342   1.340   3.104
  307   HG23  ILE  40          3HG2      ILE  40  -5.410   1.309   1.605
  308   HD11  ILE  40          3HD1      ILE  40  -5.232   1.666  -0.485
  309   HD12  ILE  40          1HD1      ILE  40  -5.735   3.338  -0.227
  310   HD13  ILE  40          2HD1      ILE  40  -6.089   2.539  -1.761
  311    H    GLU  41           H        GLU  41  -9.506   2.715   3.952
  312    HA   GLU  41           HA       GLU  41  -8.677   0.778   5.814
  313    HB2  GLU  41           1HB      GLU  41  -9.306   3.151   6.339
  314    HB3  GLU  41           2HB      GLU  41 -10.987   2.690   6.113
  315    HG2  GLU  41           1HG      GLU  41 -10.480   2.710   8.457
  316    HG3  GLU  41           2HG      GLU  41 -10.752   1.049   7.937
  317    H    LYS  42           H        LYS  42 -11.750   1.295   4.121
  318    HA   LYS  42           HA       LYS  42 -13.122  -0.838   5.385
  319    HB2  LYS  42           1HB      LYS  42 -14.524   0.752   4.391
  320    HB3  LYS  42           2HB      LYS  42 -13.583   0.791   2.908
  321    HG2  LYS  42           1HG      LYS  42 -15.765  -0.263   2.589
  322    HG3  LYS  42           2HG      LYS  42 -14.441  -1.382   2.267
  323    HD2  LYS  42           1HD      LYS  42 -14.753  -2.460   4.376
  324    HD3  LYS  42           2HD      LYS  42 -15.951  -1.258   4.874
  325    HE2  LYS  42           1HE      LYS  42 -16.250  -3.134   2.531
  326    HE3  LYS  42           2HE      LYS  42 -16.950  -3.404   4.124
  327    HZ1  LYS  42           3HZ      LYS  42 -18.567  -2.451   2.633
  328    HZ2  LYS  42           1HZ      LYS  42 -17.561  -1.131   2.314
  329    HZ3  LYS  42           2HZ      LYS  42 -18.209  -1.347   3.861
  330    H    PHE  43           H        PHE  43 -11.396  -0.608   2.310
  331    HA   PHE  43           HA       PHE  43 -11.869  -3.278   1.568
  332    HB2  PHE  43           1HB      PHE  43  -9.679  -1.379   0.736
  333    HB3  PHE  43           2HB      PHE  43  -9.900  -2.985   0.051
  334    HD1  PHE  43           2HD      PHE  43 -11.542   0.285   0.505
  335    HD2  PHE  43           1HD      PHE  43 -11.445  -3.371  -1.682
  336    HE1  PHE  43           2HE      PHE  43 -13.168   1.208  -1.090
  337    HE2  PHE  43           1HE      PHE  43 -13.087  -2.445  -3.272
  338    HZ   PHE  43           HZ       PHE  43 -13.942  -0.160  -2.983
  339    H    SER  44           H        SER  44  -9.725  -1.832   3.800
  340    HA   SER  44           HA       SER  44  -7.970  -4.142   3.897
  341    HB2  SER  44           1HB      SER  44  -6.915  -1.992   4.187
  342    HB3  SER  44           2HB      SER  44  -8.006  -1.575   5.511
  343    HG   SER  44           HG       SER  44  -5.859  -2.390   6.105
  344    H    GLU  45           H        GLU  45 -10.860  -3.070   5.210
  345    HA   GLU  45           HA       GLU  45 -10.746  -4.765   7.559
  346    HB2  GLU  45           1HB      GLU  45 -12.120  -2.556   7.187
  347    HB3  GLU  45           2HB      GLU  45 -13.284  -3.638   6.439
  348    HG2  GLU  45           1HG      GLU  45 -13.789  -3.209   8.792
  349    HG3  GLU  45           2HG      GLU  45 -13.462  -4.914   8.480
  350    H    GLN  46           H        GLN  46 -11.562  -4.883   4.247
  351    HA   GLN  46           HA       GLN  46 -12.619  -7.585   4.548
  352    HB2  GLN  46           1HB      GLN  46 -13.309  -7.395   2.187
  353    HB3  GLN  46           2HB      GLN  46 -14.066  -6.210   3.235
  354    HG2  GLN  46           1HG      GLN  46 -12.456  -4.535   2.487
  355    HG3  GLN  46           2HG      GLN  46 -11.773  -5.722   1.366
  356   HE21  GLN  46          1HE2      GLN  46 -13.041  -6.442  -0.380
  357   HE22  GLN  46          2HE2      GLN  46 -14.396  -5.530  -0.949
  358    H    TYR  47           H        TYR  47  -9.844  -6.548   4.758
  359    HA   TYR  47           HA       TYR  47  -8.499  -8.422   2.943
  360    HB2  TYR  47           1HB      TYR  47  -7.633  -6.239   4.763
  361    HB3  TYR  47           2HB      TYR  47  -6.551  -7.618   4.655
  362    HD1  TYR  47           1HD      TYR  47  -8.593  -5.843   2.093
  363    HD2  TYR  47           2HD      TYR  47  -4.723  -7.010   3.397
  364    HE1  TYR  47           1HE      TYR  47  -7.621  -4.912   0.039
  365    HE2  TYR  47           2HE      TYR  47  -3.744  -6.093   1.346
  366    HH   TYR  47           HH       TYR  47  -5.456  -4.061  -0.754
  367    HA   PRO  48           HA       PRO  48  -9.336 -11.089   6.574
  368    HB2  PRO  48           1HB      PRO  48  -9.526 -13.338   4.784
  369    HB3  PRO  48           2HB      PRO  48 -10.810 -12.565   5.712
  370    HG2  PRO  48           1HG      PRO  48 -10.627 -12.491   2.973
  371    HG3  PRO  48           2HG      PRO  48 -11.477 -11.280   3.948
  372    HD2  PRO  48           1HD      PRO  48  -8.752 -11.153   2.718
  373    HD3  PRO  48           2HD      PRO  48  -9.985  -9.881   2.871
  374    H    GLN  49           H        GLN  49  -7.376 -12.161   3.792
  375    HA   GLN  49           HA       GLN  49  -5.558 -13.442   5.685
  376    HB2  GLN  49           1HB      GLN  49  -4.769 -14.668   3.592
  377    HB3  GLN  49           2HB      GLN  49  -6.271 -15.134   4.353
  378    HG2  GLN  49           1HG      GLN  49  -6.411 -15.106   1.908
  379    HG3  GLN  49           2HG      GLN  49  -7.552 -14.017   2.686
  380   HE21  GLN  49          1HE2      GLN  49  -4.548 -14.199   0.912
  381   HE22  GLN  49          2HE2      GLN  49  -4.594 -12.584   0.306
  382    H    ALA  50           H        ALA  50  -5.776 -10.761   3.743
  383    HA   ALA  50           HA       ALA  50  -2.917 -10.697   3.142
  384    HB1  ALA  50           1HB      ALA  50  -3.502  -8.883   1.578
  385    HB2  ALA  50           2HB      ALA  50  -5.199  -9.064   2.029
  386    HB3  ALA  50           3HB      ALA  50  -4.356 -10.384   1.216
  387    H    ASP  51           H        ASP  51  -1.727  -8.867   3.679
  388    HA   ASP  51           HA       ASP  51  -2.798  -7.418   5.994
  389    HB2  ASP  51           1HB      ASP  51  -0.151  -8.497   5.316
  390    HB3  ASP  51           2HB      ASP  51  -0.115  -6.874   6.002
  391    H    PHE  52           H        PHE  52  -3.164  -5.320   5.893
  392    HA   PHE  52           HA       PHE  52  -2.267  -3.916   3.474
  393    HB2  PHE  52           1HB      PHE  52  -4.813  -4.273   4.306
  394    HB3  PHE  52           2HB      PHE  52  -4.443  -2.747   5.109
  395    HD1  PHE  52           2HD      PHE  52  -2.490  -1.830   2.840
  396    HD2  PHE  52           1HD      PHE  52  -6.455  -3.340   2.909
  397    HE1  PHE  52           2HE      PHE  52  -2.978  -0.645   0.741
  398    HE2  PHE  52           1HE      PHE  52  -6.959  -2.157   0.847
  399    HZ   PHE  52           HZ       PHE  52  -5.218  -0.810  -0.270
  400    H    TYR  53           H        TYR  53  -0.829  -2.315   3.744
  401    HA   TYR  53           HA       TYR  53  -0.815  -0.895   6.320
  402    HB2  TYR  53           1HB      TYR  53   1.704  -1.508   4.777
  403    HB3  TYR  53           2HB      TYR  53   1.559  -0.849   6.410
  404    HD1  TYR  53           1HD      TYR  53   0.224  -2.438   8.073
  405    HD2  TYR  53           2HD      TYR  53   2.297  -3.733   4.607
  406    HE1  TYR  53           1HE      TYR  53   0.454  -4.673   9.062
  407    HE2  TYR  53           2HE      TYR  53   2.530  -5.983   5.584
  408    HH   TYR  53           HH       TYR  53   0.768  -7.056   8.172
  409    H    LYS  54           H        LYS  54  -0.475   1.305   6.198
  410    HA   LYS  54           HA       LYS  54   0.155   2.411   3.549
  411    HB2  LYS  54           1HB      LYS  54  -2.099   3.353   5.331
  412    HB3  LYS  54           2HB      LYS  54  -1.499   4.269   3.957
  413    HG2  LYS  54           1HG      LYS  54  -2.168   2.486   2.446
  414    HG3  LYS  54           2HG      LYS  54  -2.689   1.499   3.795
  415    HD2  LYS  54           1HD      LYS  54  -3.986   3.978   2.646
  416    HD3  LYS  54           2HD      LYS  54  -4.672   2.391   2.975
  417    HE2  LYS  54           1HE      LYS  54  -4.613   2.754   5.342
  418    HE3  LYS  54           2HE      LYS  54  -3.760   4.282   5.132
  419    HZ1  LYS  54           3HZ      LYS  54  -6.056   4.702   5.544
  420    HZ2  LYS  54           1HZ      LYS  54  -6.535   3.674   4.289
  421    HZ3  LYS  54           2HZ      LYS  54  -5.716   5.112   3.937
  422    H    LEU  55           H        LEU  55   1.857   3.728   3.637
  423    HA   LEU  55           HA       LEU  55   2.831   4.461   6.320
  424    HB2  LEU  55           1HB      LEU  55   4.345   4.646   3.745
  425    HB3  LEU  55           2HB      LEU  55   4.979   4.707   5.374
  426    HG   LEU  55           HG       LEU  55   4.037   2.363   3.821
  427   HD11  LEU  55          1HD1      LEU  55   6.411   3.059   3.961
  428   HD12  LEU  55          2HD1      LEU  55   6.096   1.428   4.551
  429   HD13  LEU  55          3HD1      LEU  55   6.333   2.750   5.696
  430   HD21  LEU  55          3HD2      LEU  55   2.718   2.224   5.837
  431   HD22  LEU  55          1HD2      LEU  55   4.155   2.518   6.814
  432   HD23  LEU  55          2HD2      LEU  55   4.014   1.028   5.883
  433    H    ASP  56           H        ASP  56   3.940   6.536   6.581
  434    HA   ASP  56           HA       ASP  56   2.651   8.684   5.050
  435    HB2  ASP  56           1HB      ASP  56   3.754  10.064   7.006
  436    HB3  ASP  56           2HB      ASP  56   2.236   9.211   7.255
  437    H    VAL  57           H        VAL  57   3.779   9.461   3.444
  438    HA   VAL  57           HA       VAL  57   6.422   8.658   2.926
  439    HB   VAL  57           HB       VAL  57   4.329   9.576   1.452
  440   HG11  VAL  57          1HG1      VAL  57   4.987  11.577   0.256
  441   HG12  VAL  57          2HG1      VAL  57   6.425  11.733   1.265
  442   HG13  VAL  57          3HG1      VAL  57   4.824  11.925   1.979
  443   HG21  VAL  57          3HG2      VAL  57   7.208   9.307   0.657
  444   HG22  VAL  57          1HG2      VAL  57   5.853   9.380  -0.472
  445   HG23  VAL  57          2HG2      VAL  57   5.971   8.048   0.677
  446    H    ASP  58           H        ASP  58   5.252  11.273   4.783
  447    HA   ASP  58           HA       ASP  58   7.285  13.164   4.140
  448    HB2  ASP  58           1HB      ASP  58   6.447  14.482   5.945
  449    HB3  ASP  58           2HB      ASP  58   5.063  13.725   5.166
  450    H    GLU  59           H        GLU  59   7.001  10.508   6.360
  451    HA   GLU  59           HA       GLU  59   9.769  11.008   7.216
  452    HB2  GLU  59           1HB      GLU  59   7.659   9.181   8.366
  453    HB3  GLU  59           2HB      GLU  59   9.337   9.189   8.895
  454    HG2  GLU  59           1HG      GLU  59   9.060  11.612   9.447
  455    HG3  GLU  59           2HG      GLU  59   7.339  11.421   9.116
  456    H    LEU  60           H        LEU  60   7.644   8.618   5.718
  457    HA   LEU  60           HA       LEU  60   9.883   6.848   5.179
  458    HB2  LEU  60           1HB      LEU  60   6.924   6.657   4.681
  459    HB3  LEU  60           2HB      LEU  60   8.038   5.562   3.897
  460    HG   LEU  60           HG       LEU  60   7.248   4.400   5.768
  461   HD11  LEU  60          1HD1      LEU  60   9.874   5.577   6.633
  462   HD12  LEU  60          2HD1      LEU  60   9.665   4.233   5.508
  463   HD13  LEU  60          3HD1      LEU  60   9.167   4.060   7.192
  464   HD21  LEU  60          3HD2      LEU  60   6.204   6.251   6.942
  465   HD22  LEU  60          1HD2      LEU  60   7.788   6.852   7.434
  466   HD23  LEU  60          2HD2      LEU  60   7.204   5.303   8.042
  467    H    GLY  61           H        GLY  61  10.224   9.334   4.007
  468    HA2  GLY  61           1HA      GLY  61   9.408   9.369   1.275
  469    HA3  GLY  61           2HA      GLY  61  10.678  10.352   1.994
  470    H    ASP  62           H        ASP  62  12.210   8.168   2.992
  471    HA   ASP  62           HA       ASP  62  13.819   7.626   0.757
  472    HB2  ASP  62           1HB      ASP  62  13.754   6.170   3.405
  473    HB3  ASP  62           2HB      ASP  62  15.068   6.125   2.234
  474    H    VAL  63           H        VAL  63  11.384   5.747   2.453
  475    HA   VAL  63           HA       VAL  63  11.680   3.338   1.024
  476    HB   VAL  63           HB       VAL  63   9.209   4.458   2.343
  477   HG11  VAL  63          1HG1      VAL  63   8.373   2.200   2.367
  478   HG12  VAL  63          2HG1      VAL  63   9.854   1.610   1.612
  479   HG13  VAL  63          3HG1      VAL  63   8.765   2.662   0.712
  480   HG21  VAL  63          3HG2      VAL  63   9.829   2.968   4.202
  481   HG22  VAL  63          1HG2      VAL  63  11.000   4.260   3.926
  482   HG23  VAL  63          2HG2      VAL  63  11.350   2.622   3.376
  483    H    ALA  64           H        ALA  64   9.635   6.163   0.520
  484    HA   ALA  64           HA       ALA  64   8.276   5.297  -1.756
  485    HB1  ALA  64           1HB      ALA  64   7.660   7.305  -0.513
  486    HB2  ALA  64           2HB      ALA  64   7.885   7.658  -2.226
  487    HB3  ALA  64           3HB      ALA  64   9.133   8.101  -1.063
  488    H    GLN  65           H        GLN  65  11.456   6.771  -1.398
  489    HA   GLN  65           HA       GLN  65  11.861   7.202  -4.191
  490    HB2  GLN  65           1HB      GLN  65  13.852   7.076  -1.920
  491    HB3  GLN  65           2HB      GLN  65  14.211   7.637  -3.548
  492    HG2  GLN  65           1HG      GLN  65  12.651   9.475  -3.280
  493    HG3  GLN  65           2HG      GLN  65  12.223   8.898  -1.669
  494   HE21  GLN  65          1HE2      GLN  65  15.002   8.133  -1.081
  495   HE22  GLN  65          2HE2      GLN  65  15.832   9.612  -0.763
  496    H    LYS  66           H        LYS  66  12.608   4.626  -1.936
  497    HA   LYS  66           HA       LYS  66  14.243   3.024  -3.479
  498    HB2  LYS  66           1HB      LYS  66  12.068   2.279  -1.531
  499    HB3  LYS  66           2HB      LYS  66  13.253   1.154  -2.162
  500    HG2  LYS  66           1HG      LYS  66  15.035   2.545  -1.150
  501    HG3  LYS  66           2HG      LYS  66  13.766   3.547  -0.442
  502    HD2  LYS  66           1HD      LYS  66  12.914   1.662   0.805
  503    HD3  LYS  66           2HD      LYS  66  14.078   0.586   0.031
  504    HE2  LYS  66           1HE      LYS  66  14.788   2.933   1.785
  505    HE3  LYS  66           2HE      LYS  66  14.741   1.253   2.318
  506    HZ1  LYS  66           3HZ      LYS  66  16.511   2.329   0.188
  507    HZ2  LYS  66           1HZ      LYS  66  16.480   0.728   0.737
  508    HZ3  LYS  66           2HZ      LYS  66  16.986   1.968   1.770
  509    H    ASN  67           H        ASN  67  10.771   3.392  -3.430
  510    HA   ASN  67           HA       ASN  67  10.448   1.337  -5.475
  511    HB2  ASN  67           1HB      ASN  67   8.435   2.831  -3.785
  512    HB3  ASN  67           2HB      ASN  67   8.016   1.608  -4.980
  513   HD21  ASN  67          1HD2      ASN  67   9.533   2.202  -1.884
  514   HD22  ASN  67          2HD2      ASN  67   9.538   0.554  -1.362
  515    H    GLU  68           H        GLU  68  11.331   4.351  -5.620
  516    HA   GLU  68           HA       GLU  68  11.233   6.052  -7.115
  517    HB2  GLU  68           1HB      GLU  68  10.178   3.838  -8.869
  518    HB3  GLU  68           2HB      GLU  68  10.629   5.431  -9.458
  519    HG2  GLU  68           1HG      GLU  68  12.917   5.068  -8.660
  520    HG3  GLU  68           2HG      GLU  68  12.456   3.455  -8.115
  521    H    VAL  69           H        VAL  69   9.119   5.986  -5.358
  522    HA   VAL  69           HA       VAL  69   6.643   6.353  -6.782
  523    HB   VAL  69           HB       VAL  69   7.416   6.595  -3.882
  524   HG11  VAL  69          1HG1      VAL  69   5.061   6.919  -3.347
  525   HG12  VAL  69          2HG1      VAL  69   4.666   6.980  -5.065
  526   HG13  VAL  69          3HG1      VAL  69   5.661   8.245  -4.343
  527   HG21  VAL  69          3HG2      VAL  69   7.295   4.346  -4.777
  528   HG22  VAL  69          1HG2      VAL  69   5.669   4.656  -5.385
  529   HG23  VAL  69          2HG2      VAL  69   5.971   4.632  -3.648
  530    H    SER  70           H        SER  70   5.911   8.189  -7.579
  531    HA   SER  70           HA       SER  70   6.810  10.717  -6.417
  532    HB2  SER  70           1HB      SER  70   8.056  10.240  -8.526
  533    HB3  SER  70           2HB      SER  70   6.510  10.269  -9.352
  534    HG   SER  70           HG       SER  70   7.399  12.432  -7.774
  535    H    ALA  71           H        ALA  71   4.351   8.817  -7.959
  536    HA   ALA  71           HA       ALA  71   2.434  11.026  -7.725
  537    HB1  ALA  71           1HB      ALA  71   2.469   9.871  -9.877
  538    HB2  ALA  71           2HB      ALA  71   0.928   9.626  -9.055
  539    HB3  ALA  71           3HB      ALA  71   2.135   8.340  -9.069
  540    H    MET  72           H        MET  72   1.342  11.140  -5.889
  541    HA   MET  72           HA       MET  72   1.117   8.726  -4.248
  542    HB2  MET  72           1HB      MET  72   0.515  10.377  -2.416
  543    HB3  MET  72           2HB      MET  72   2.161  10.457  -3.022
  544    HG2  MET  72           1HG      MET  72   1.459  12.679  -2.764
  545    HG3  MET  72           2HG      MET  72   1.397  12.360  -4.491
  546    HE1  MET  72           3HE      MET  72  -1.574  14.817  -4.176
  547    HE2  MET  72           1HE      MET  72  -0.133  14.373  -5.091
  548    HE3  MET  72           2HE      MET  72   0.016  14.899  -3.415
  549    HA   PRO  73           HA       PRO  73   0.149   7.942  -2.675
  550    HB2  PRO  73           1HB      PRO  73  -2.009   6.092  -2.295
  551    HB3  PRO  73           2HB      PRO  73  -1.386   7.278  -1.148
  552    HG2  PRO  73           1HG      PRO  73  -3.885   7.386  -2.304
  553    HG3  PRO  73           2HG      PRO  73  -3.022   8.783  -1.636
  554    HD2  PRO  73           1HD      PRO  73  -3.277   7.895  -4.484
  555    HD3  PRO  73           2HD      PRO  73  -3.317   9.535  -3.808
  556    H    THR  74           H        THR  74   0.913   5.695  -2.771
  557    HA   THR  74           HA       THR  74   0.431   4.478  -5.397
  558    HB   THR  74           HB       THR  74   3.032   4.387  -3.869
  559    HG1  THR  74           1HG      THR  74   1.981   6.329  -5.503
  560   HG21  THR  74          3HG2      THR  74   3.969   3.606  -5.988
  561   HG22  THR  74          1HG2      THR  74   2.366   3.671  -6.721
  562   HG23  THR  74          2HG2      THR  74   2.694   2.528  -5.419
  563    H    LEU  75           H        LEU  75  -0.413   2.497  -5.271
  564    HA   LEU  75           HA       LEU  75  -0.239   1.056  -2.720
  565    HB2  LEU  75           1HB      LEU  75  -2.312   1.290  -4.834
  566    HB3  LEU  75           2HB      LEU  75  -2.167  -0.231  -3.984
  567    HG   LEU  75           HG       LEU  75  -3.915   1.223  -3.033
  568   HD11  LEU  75          1HD1      LEU  75  -2.886  -0.377  -1.579
  569   HD12  LEU  75          2HD1      LEU  75  -3.173   1.114  -0.683
  570   HD13  LEU  75          3HD1      LEU  75  -1.550   0.722  -1.247
  571   HD21  LEU  75          3HD2      LEU  75  -1.624   3.085  -2.429
  572   HD22  LEU  75          1HD2      LEU  75  -3.254   3.238  -1.771
  573   HD23  LEU  75          2HD2      LEU  75  -2.984   3.397  -3.506
  574    H    LEU  76           H        LEU  76   1.301  -0.444  -2.801
  575    HA   LEU  76           HA       LEU  76   1.441  -2.097  -5.238
  576    HB2  LEU  76           1HB      LEU  76   3.804  -1.599  -3.433
  577    HB3  LEU  76           2HB      LEU  76   3.803  -2.196  -5.080
  578    HG   LEU  76           HG       LEU  76   2.992   0.629  -4.426
  579   HD11  LEU  76          1HD1      LEU  76   5.754  -0.378  -5.106
  580   HD12  LEU  76          2HD1      LEU  76   5.248   0.245  -3.537
  581   HD13  LEU  76          3HD1      LEU  76   5.273   1.310  -4.943
  582   HD21  LEU  76          3HD2      LEU  76   2.417  -0.366  -6.639
  583   HD22  LEU  76          1HD2      LEU  76   4.141  -0.591  -6.920
  584   HD23  LEU  76          2HD2      LEU  76   3.485   1.035  -6.733
  585    H    LEU  77           H        LEU  77   0.650  -4.058  -4.735
  586    HA   LEU  77           HA       LEU  77   1.155  -5.025  -2.038
  587    HB2  LEU  77           1HB      LEU  77  -0.045  -7.050  -3.608
  588    HB3  LEU  77           2HB      LEU  77  -0.714  -6.161  -2.261
  589    HG   LEU  77           HG       LEU  77  -0.864  -5.228  -5.133
  590   HD11  LEU  77          1HD1      LEU  77  -2.884  -6.660  -3.385
  591   HD12  LEU  77          2HD1      LEU  77  -2.088  -7.328  -4.816
  592   HD13  LEU  77          3HD1      LEU  77  -3.223  -5.987  -4.980
  593   HD21  LEU  77          3HD2      LEU  77  -1.064  -3.443  -3.442
  594   HD22  LEU  77          1HD2      LEU  77  -2.391  -4.331  -2.688
  595   HD23  LEU  77          2HD2      LEU  77  -2.566  -3.709  -4.329
  596    H    PHE  78           H        PHE  78   2.789  -6.224  -1.534
  597    HA   PHE  78           HA       PHE  78   4.443  -7.273  -3.714
  598    HB2  PHE  78           1HB      PHE  78   5.029  -6.137  -1.026
  599    HB3  PHE  78           2HB      PHE  78   6.116  -7.373  -1.642
  600    HD1  PHE  78           2HD      PHE  78   7.448  -6.962  -3.635
  601    HD2  PHE  78           1HD      PHE  78   4.959  -3.939  -1.976
  602    HE1  PHE  78           2HE      PHE  78   8.650  -5.267  -4.943
  603    HE2  PHE  78           1HE      PHE  78   6.160  -2.231  -3.279
  604    HZ   PHE  78           HZ       PHE  78   8.010  -2.894  -4.764
  605    H    LYS  79           H        LYS  79   5.622  -9.249  -3.313
  606    HA   LYS  79           HA       LYS  79   4.643 -10.990  -1.198
  607    HB2  LYS  79           1HB      LYS  79   3.106 -11.329  -3.080
  608    HB3  LYS  79           2HB      LYS  79   4.483 -11.634  -4.139
  609    HG2  LYS  79           1HG      LYS  79   5.034 -13.617  -2.742
  610    HG3  LYS  79           2HG      LYS  79   3.572 -13.322  -1.802
  611    HD2  LYS  79           1HD      LYS  79   3.625 -13.825  -4.777
  612    HD3  LYS  79           2HD      LYS  79   3.302 -15.059  -3.559
  613    HE2  LYS  79           1HE      LYS  79   1.684 -12.538  -3.861
  614    HE3  LYS  79           2HE      LYS  79   1.269 -14.063  -4.635
  615    HZ1  LYS  79           3HZ      LYS  79   1.027 -15.087  -2.499
  616    HZ2  LYS  79           1HZ      LYS  79   0.081 -13.686  -2.534
  617    HZ3  LYS  79           2HZ      LYS  79   1.554 -13.694  -1.705
  618    H    ASN  80           H        ASN  80   6.263 -12.235  -0.459
  619    HA   ASN  80           HA       ASN  80   8.367 -12.963  -0.081
  620    HB2  ASN  80           1HB      ASN  80   9.317 -14.466  -1.753
  621    HB3  ASN  80           2HB      ASN  80   7.593 -14.731  -1.582
  622   HD21  ASN  80          1HD2      ASN  80   6.300 -14.486  -3.328
  623   HD22  ASN  80          2HD2      ASN  80   6.864 -14.063  -4.903
  624    H    GLY  81           H        GLY  81   8.205 -10.208  -0.913
  625    HA2  GLY  81           1HA      GLY  81   9.767  -8.533  -1.100
  626    HA3  GLY  81           2HA      GLY  81  11.011  -9.765  -1.216
  627    H    LYS  82           H        LYS  82   8.537 -10.261  -3.493
  628    HA   LYS  82           HA       LYS  82  10.301  -9.107  -5.537
  629    HB2  LYS  82           1HB      LYS  82  10.292 -11.258  -6.225
  630    HB3  LYS  82           2HB      LYS  82   8.858 -11.651  -5.295
  631    HG2  LYS  82           1HG      LYS  82   7.449 -10.763  -7.019
  632    HG3  LYS  82           2HG      LYS  82   8.857 -10.253  -7.960
  633    HD2  LYS  82           1HD      LYS  82   9.549 -12.566  -8.220
  634    HD3  LYS  82           2HD      LYS  82   8.221 -13.105  -7.191
  635    HE2  LYS  82           1HE      LYS  82   7.663 -13.457  -9.521
  636    HE3  LYS  82           2HE      LYS  82   6.617 -12.220  -8.830
  637    HZ1  LYS  82           3HZ      LYS  82   8.998 -11.735 -10.535
  638    HZ2  LYS  82           1HZ      LYS  82   8.028 -10.532  -9.847
  639    HZ3  LYS  82           2HZ      LYS  82   7.382 -11.574 -11.008
  640    H    GLU  83           H        GLU  83   6.854  -9.972  -5.234
  641    HA   GLU  83           HA       GLU  83   5.625  -7.586  -5.118
  642    HB2  GLU  83           1HB      GLU  83   7.030  -7.213  -7.322
  643    HB3  GLU  83           2HB      GLU  83   5.756  -8.167  -8.061
  644    HG2  GLU  83           1HG      GLU  83   4.099  -6.540  -7.362
  645    HG3  GLU  83           2HG      GLU  83   5.347  -5.601  -6.541
  646    H    VAL  84           H        VAL  84   3.392  -7.647  -6.354
  647    HA   VAL  84           HA       VAL  84   2.638 -10.231  -7.349
  648    HB   VAL  84           HB       VAL  84   2.226 -10.150  -4.797
  649   HG11  VAL  84          1HG1      VAL  84  -0.120  -8.545  -5.758
  650   HG12  VAL  84          2HG1      VAL  84   1.159  -8.005  -4.671
  651   HG13  VAL  84          3HG1      VAL  84   0.041  -9.267  -4.158
  652   HG21  VAL  84          3HG2      VAL  84   1.446 -11.951  -6.142
  653   HG22  VAL  84          1HG2      VAL  84   0.112 -10.975  -6.754
  654   HG23  VAL  84          2HG2      VAL  84   0.145 -11.454  -5.057
  655    H    ALA  85           H        ALA  85   1.933  -6.874  -6.658
  656    HA   ALA  85           HA       ALA  85   0.841  -6.531  -9.309
  657    HB1  ALA  85           1HB      ALA  85  -1.172  -7.208  -8.060
  658    HB2  ALA  85           2HB      ALA  85  -1.258  -5.546  -8.657
  659    HB3  ALA  85           3HB      ALA  85  -0.906  -5.856  -6.958
  660    H    LYS  86           H        LYS  86   0.312  -4.229  -9.726
  661    HA   LYS  86           HA       LYS  86   1.696  -2.405  -7.938
  662    HB2  LYS  86           1HB      LYS  86   3.284  -3.377  -9.695
  663    HB3  LYS  86           2HB      LYS  86   2.356  -2.479 -10.885
  664    HG2  LYS  86           1HG      LYS  86   3.611  -1.119  -8.541
  665    HG3  LYS  86           2HG      LYS  86   4.532  -1.461 -10.000
  666    HD2  LYS  86           1HD      LYS  86   2.944  -0.147 -11.308
  667    HD3  LYS  86           2HD      LYS  86   1.990   0.163  -9.855
  668    HE2  LYS  86           1HE      LYS  86   3.381   2.080 -10.326
  669    HE3  LYS  86           2HE      LYS  86   3.940   1.296  -8.854
  670    HZ1  LYS  86           3HZ      LYS  86   5.778   1.929 -10.298
  671    HZ2  LYS  86           1HZ      LYS  86   5.162   0.961 -11.540
  672    HZ3  LYS  86           2HZ      LYS  86   5.710   0.252 -10.108
  673    H    VAL  87           H        VAL  87   0.375  -0.731  -7.588
  674    HA   VAL  87           HA       VAL  87  -1.046   0.439  -9.892
  675    HB   VAL  87           HB       VAL  87  -2.239   0.453  -7.117
  676   HG11  VAL  87          1HG1      VAL  87  -3.383   1.018  -9.848
  677   HG12  VAL  87          2HG1      VAL  87  -2.986   2.206  -8.602
  678   HG13  VAL  87          3HG1      VAL  87  -4.291   1.047  -8.335
  679   HG21  VAL  87          3HG2      VAL  87  -3.763  -1.320  -7.735
  680   HG22  VAL  87          1HG2      VAL  87  -2.099  -1.895  -7.879
  681   HG23  VAL  87          2HG2      VAL  87  -3.005  -1.456  -9.326
  682    H    VAL  88           H        VAL  88  -1.193   2.669  -9.892
  683    HA   VAL  88           HA       VAL  88   0.097   4.139  -7.754
  684    HB   VAL  88           HB       VAL  88   2.021   3.474  -8.929
  685   HG11  VAL  88          1HG1      VAL  88   0.702   4.317 -11.502
  686   HG12  VAL  88          2HG1      VAL  88   0.853   2.651 -10.929
  687   HG13  VAL  88          3HG1      VAL  88   2.302   3.590 -11.326
  688   HG21  VAL  88          3HG2      VAL  88   2.905   5.572  -9.878
  689   HG22  VAL  88          1HG2      VAL  88   2.051   5.826  -8.355
  690   HG23  VAL  88          2HG2      VAL  88   1.271   6.234  -9.882
  691    H    GLY  89           H        GLY  89  -1.919   5.223  -7.565
  692    HA2  GLY  89           1HA      GLY  89  -1.961   7.753  -8.465
  693    HA3  GLY  89           2HA      GLY  89  -2.751   6.908  -9.783
  694    H    ALA  90           H        ALA  90  -2.951   6.706  -6.222
  695    HA   ALA  90           HA       ALA  90  -4.721   6.719  -4.785
  696    HB1  ALA  90           1HB      ALA  90  -6.456   8.380  -5.150
  697    HB2  ALA  90           2HB      ALA  90  -5.978   8.537  -6.840
  698    HB3  ALA  90           3HB      ALA  90  -4.877   9.053  -5.562
  699    H    ASN  91           H        ASN  91  -5.258   4.536  -4.967
  700    HA   ASN  91           HA       ASN  91  -7.471   3.961  -6.810
  701    HB2  ASN  91           1HB      ASN  91  -6.583   1.625  -6.931
  702    HB3  ASN  91           2HB      ASN  91  -5.562   2.841  -7.689
  703   HD21  ASN  91          1HD2      ASN  91  -5.192   0.109  -6.394
  704   HD22  ASN  91          2HD2      ASN  91  -3.833   0.332  -5.354
  705    HA   PRO  92           HA       PRO  92  -9.193   2.423  -2.881
  706    HB2  PRO  92           1HB      PRO  92 -11.659   3.707  -3.650
  707    HB3  PRO  92           2HB      PRO  92 -10.664   4.022  -2.229
  708    HG2  PRO  92           1HG      PRO  92 -11.017   5.771  -4.339
  709    HG3  PRO  92           2HG      PRO  92  -9.676   5.826  -3.184
  710    HD2  PRO  92           1HD      PRO  92  -9.744   4.790  -5.977
  711    HD3  PRO  92           2HD      PRO  92  -8.411   5.555  -5.087
  712    H    ALA  93           H        ALA  93 -10.553   2.951  -6.118
  713    HA   ALA  93           HA       ALA  93 -12.095   0.492  -6.006
  714    HB1  ALA  93           1HB      ALA  93 -12.943   1.145  -8.186
  715    HB2  ALA  93           2HB      ALA  93 -11.782   2.469  -8.261
  716    HB3  ALA  93           3HB      ALA  93 -13.063   2.488  -7.051
  717    H    ALA  94           H        ALA  94  -9.217   1.753  -7.598
  718    HA   ALA  94           HA       ALA  94  -8.849  -0.558  -9.263
  719    HB1  ALA  94           1HB      ALA  94  -7.092   1.791  -8.622
  720    HB2  ALA  94           2HB      ALA  94  -7.935   1.425 -10.121
  721    HB3  ALA  94           3HB      ALA  94  -6.552   0.452  -9.626
  722    H    ILE  95           H        ILE  95  -8.060   0.180  -5.953
  723    HA   ILE  95           HA       ILE  95  -6.044  -1.737  -5.578
  724    HB   ILE  95           HB       ILE  95  -7.082  -0.204  -3.746
  725   HG12  ILE  95          1HG1      ILE  95  -6.371  -1.734  -1.961
  726   HG13  ILE  95          2HG1      ILE  95  -6.480  -3.107  -3.064
  727   HG21  ILE  95          1HG2      ILE  95  -8.752  -1.278  -2.311
  728   HG22  ILE  95          2HG2      ILE  95  -8.892  -2.606  -3.474
  729   HG23  ILE  95          3HG2      ILE  95  -9.384  -0.968  -3.929
  730   HD11  ILE  95          3HD1      ILE  95  -4.593  -0.779  -3.391
  731   HD12  ILE  95          1HD1      ILE  95  -4.641  -2.250  -4.360
  732   HD13  ILE  95          2HD1      ILE  95  -4.175  -2.329  -2.663
  733    H    LYS  96           H        LYS  96  -9.517  -1.963  -5.896
  734    HA   LYS  96           HA       LYS  96  -9.910  -4.637  -5.307
  735    HB2  LYS  96           1HB      LYS  96 -11.340  -2.654  -6.986
  736    HB3  LYS  96           2HB      LYS  96 -11.724  -4.348  -7.264
  737    HG2  LYS  96           1HG      LYS  96 -11.852  -2.959  -4.603
  738    HG3  LYS  96           2HG      LYS  96 -13.235  -3.293  -5.649
  739    HD2  LYS  96           1HD      LYS  96 -12.694  -5.708  -5.512
  740    HD3  LYS  96           2HD      LYS  96 -11.398  -5.323  -4.376
  741    HE2  LYS  96           1HE      LYS  96 -13.392  -6.074  -3.200
  742    HE3  LYS  96           2HE      LYS  96 -13.045  -4.389  -2.824
  743    HZ1  LYS  96           3HZ      LYS  96 -15.060  -5.325  -4.792
  744    HZ2  LYS  96           1HZ      LYS  96 -14.756  -3.715  -4.374
  745    HZ3  LYS  96           2HZ      LYS  96 -15.404  -4.780  -3.230
  746    H    GLN  97           H        GLN  97  -8.800  -3.117  -8.276
  747    HA   GLN  97           HA       GLN  97  -8.750  -5.332  -9.949
  748    HB2  GLN  97           1HB      GLN  97  -8.366  -3.215 -10.925
  749    HB3  GLN  97           2HB      GLN  97  -7.068  -2.836  -9.808
  750    HG2  GLN  97           1HG      GLN  97  -6.715  -5.156 -11.642
  751    HG3  GLN  97           2HG      GLN  97  -6.592  -3.529 -12.310
  752   HE21  GLN  97          1HE2      GLN  97  -4.567  -5.688 -11.873
  753   HE22  GLN  97          2HE2      GLN  97  -3.303  -4.937 -10.960
  754    H    ALA  98           H        ALA  98  -6.128  -4.081  -7.857
  755    HA   ALA  98           HA       ALA  98  -4.486  -6.400  -8.363
  756    HB1  ALA  98           1HB      ALA  98  -4.130  -4.214  -6.302
  757    HB2  ALA  98           2HB      ALA  98  -3.492  -4.174  -7.943
  758    HB3  ALA  98           3HB      ALA  98  -2.897  -5.375  -6.797
  759    H    ILE  99           H        ILE  99  -6.869  -5.566  -6.138
  760    HA   ILE  99           HA       ILE  99  -5.974  -7.239  -3.999
  761    HB   ILE  99           HB       ILE  99  -7.652  -5.077  -4.143
  762   HG12  ILE  99          1HG1      ILE  99  -6.458  -5.600  -2.183
  763   HG13  ILE  99          2HG1      ILE  99  -8.167  -5.608  -1.747
  764   HG21  ILE  99          1HG2      ILE  99  -9.469  -7.335  -3.409
  765   HG22  ILE  99          2HG2      ILE  99  -9.510  -6.498  -4.962
  766   HG23  ILE  99          3HG2      ILE  99  -9.832  -5.605  -3.470
  767   HD11  ILE  99          3HD1      ILE  99  -7.440  -7.532  -0.729
  768   HD12  ILE  99          1HD1      ILE  99  -6.296  -7.902  -2.024
  769   HD13  ILE  99          2HD1      ILE  99  -8.023  -8.142  -2.288
  770    H    ALA 100           H        ALA 100  -8.440  -7.441  -6.493
  771    HA   ALA 100           HA       ALA 100  -9.379  -9.974  -5.469
  772    HB1  ALA 100           1HB      ALA 100 -11.009  -9.896  -7.294
  773    HB2  ALA 100           2HB      ALA 100 -10.211  -8.468  -7.954
  774    HB3  ALA 100           3HB      ALA 100 -11.006  -8.387  -6.381
  775    H    ALA 101           H        ALA 101  -7.417  -8.699  -8.058
  776    HA   ALA 101           HA       ALA 101  -7.139 -11.078  -9.546
  777    HB1  ALA 101           1HB      ALA 101  -5.154 -10.036 -10.517
  778    HB2  ALA 101           2HB      ALA 101  -5.199  -8.782  -9.278
  779    HB3  ALA 101           3HB      ALA 101  -6.504  -8.903 -10.458
  780    H    ASN 102           H        ASN 102  -5.321  -9.715  -6.783
  781    HA   ASN 102           HA       ASN 102  -3.817 -12.253  -6.778
  782    HB2  ASN 102           1HB      ASN 102  -3.011  -9.616  -5.545
  783    HB3  ASN 102           2HB      ASN 102  -2.049 -11.091  -5.548
  784   HD21  ASN 102          1HD2      ASN 102  -3.078  -8.357  -7.296
  785   HD22  ASN 102          2HD2      ASN 102  -2.154  -8.636  -8.737
  786    H    ALA 103           H        ALA 103  -4.164  -9.952  -4.154
  787    HA   ALA 103           HA       ALA 103  -4.142 -10.446  -1.909
  788    HB1  ALA 103           1HB      ALA 103  -6.721 -11.787  -2.679
  789    HB2  ALA 103           2HB      ALA 103  -6.501 -10.050  -2.475
  790    HB3  ALA 103           3HB      ALA 103  -6.299 -11.132  -1.095
  Start of MODEL   12
    1    H1   MET   1           1H       MET   1  -8.823  -1.510   8.579
    2    H2   MET   1           2H       MET   1  -9.606  -1.609  10.076
    3    H3   MET   1           3H       MET   1  -8.595  -2.864   9.570
    4    HA   MET   1           HA       MET   1  -7.762  -0.103  10.210
    5    HB2  MET   1           1HB      MET   1  -8.375  -1.474  12.173
    6    HB3  MET   1           2HB      MET   1  -7.244  -2.713  11.650
    7    HG2  MET   1           1HG      MET   1  -5.386  -1.214  11.983
    8    HG3  MET   1           2HG      MET   1  -6.485   0.103  12.387
    9    HE1  MET   1           3HE      MET   1  -6.821  -3.681  13.481
   10    HE2  MET   1           1HE      MET   1  -5.931  -3.665  15.002
   11    HE3  MET   1           2HE      MET   1  -5.083  -3.393  13.479
   12    H    VAL   2           H        VAL   2  -5.945   0.513   9.257
   13    HA   VAL   2           HA       VAL   2  -4.121  -1.560   8.249
   14    HB   VAL   2           HB       VAL   2  -4.707  -0.785   6.226
   15   HG11  VAL   2          1HG1      VAL   2  -6.507   0.593   7.071
   16   HG12  VAL   2          2HG1      VAL   2  -5.683   1.328   5.694
   17   HG13  VAL   2          3HG1      VAL   2  -5.363   1.911   7.334
   18   HG21  VAL   2          3HG2      VAL   2  -2.960   1.543   6.908
   19   HG22  VAL   2          1HG2      VAL   2  -3.235   0.827   5.322
   20   HG23  VAL   2          2HG2      VAL   2  -2.361  -0.077   6.558
   21    H    THR   3           H        THR   3  -2.060  -1.426   8.751
   22    HA   THR   3           HA       THR   3  -1.306   0.411  10.849
   23    HB   THR   3           HB       THR   3  -0.451  -2.201   9.888
   24    HG1  THR   3           1HG      THR   3  -0.026  -2.461  12.070
   25   HG21  THR   3          3HG2      THR   3   1.902  -2.056  10.481
   26   HG22  THR   3          1HG2      THR   3   1.737  -0.327  10.799
   27   HG23  THR   3          2HG2      THR   3   1.546  -0.940   9.152
   28    H    GLN   4           H        GLN   4   0.356   1.857  10.826
   29    HA   GLN   4           HA       GLN   4   1.477   2.539   8.204
   30    HB2  GLN   4           1HB      GLN   4   2.215   4.655   9.517
   31    HB3  GLN   4           2HB      GLN   4   0.529   4.490   9.053
   32    HG2  GLN   4           1HG      GLN   4   0.357   5.202  11.229
   33    HG3  GLN   4           2HG      GLN   4   0.231   3.454  11.402
   34   HE21  GLN   4          1HE2      GLN   4   3.208   5.237  10.811
   35   HE22  GLN   4          2HE2      GLN   4   3.937   4.878  12.336
   36    H    PHE   5           H        PHE   5   3.560   2.127   7.794
   37    HA   PHE   5           HA       PHE   5   5.266   1.093   9.889
   38    HB2  PHE   5           1HB      PHE   5   5.731   1.508   6.935
   39    HB3  PHE   5           2HB      PHE   5   6.998   0.985   8.028
   40    HD1  PHE   5           1HD      PHE   5   5.285  -0.855   9.745
   41    HD2  PHE   5           2HD      PHE   5   5.639  -0.367   5.531
   42    HE1  PHE   5           1HE      PHE   5   4.645  -3.206   9.421
   43    HE2  PHE   5           2HE      PHE   5   4.995  -2.721   5.194
   44    HZ   PHE   5           HZ       PHE   5   4.498  -4.139   7.150
   45    H    LYS   6           H        LYS   6   7.424   1.974  10.228
   46    HA   LYS   6           HA       LYS   6   7.389   4.900  10.019
   47    HB2  LYS   6           1HB      LYS   6   8.532   5.002  12.146
   48    HB3  LYS   6           2HB      LYS   6   7.059   4.058  12.310
   49    HG2  LYS   6           1HG      LYS   6   8.480   2.007  12.049
   50    HG3  LYS   6           2HG      LYS   6   9.887   3.056  12.188
   51    HD2  LYS   6           1HD      LYS   6   7.718   2.660  14.246
   52    HD3  LYS   6           2HD      LYS   6   9.383   2.090  14.346
   53    HE2  LYS   6           1HE      LYS   6   8.441   4.955  14.345
   54    HE3  LYS   6           2HE      LYS   6   9.120   4.068  15.705
   55    HZ1  LYS   6           3HZ      LYS   6  11.200   3.863  14.413
   56    HZ2  LYS   6           1HZ      LYS   6  10.796   5.465  14.774
   57    HZ3  LYS   6           2HZ      LYS   6  10.532   4.861  13.221
   58    H    THR   7           H        THR   7   9.140   2.028   9.334
   59    HA   THR   7           HA       THR   7  11.310   3.657   8.264
   60    HB   THR   7           HB       THR   7  12.924   1.840   8.863
   61    HG1  THR   7           1HG      THR   7  12.216   0.596  10.753
   62   HG21  THR   7          3HG2      THR   7  13.244   2.642  11.162
   63   HG22  THR   7          1HG2      THR   7  11.638   3.368  11.124
   64   HG23  THR   7          2HG2      THR   7  12.901   3.964  10.049
   65    H    ALA   8           H        ALA   8  12.406   2.844   6.473
   66    HA   ALA   8           HA       ALA   8  10.929   1.372   4.606
   67    HB1  ALA   8           1HB      ALA   8  13.943   1.638   4.715
   68    HB2  ALA   8           2HB      ALA   8  12.857   2.864   4.068
   69    HB3  ALA   8           3HB      ALA   8  12.959   1.280   3.294
   70    H    SER   9           H        SER   9  13.270   0.477   7.056
   71    HA   SER   9           HA       SER   9  13.676  -2.205   6.440
   72    HB2  SER   9           1HB      SER   9  13.547  -0.927   9.181
   73    HB3  SER   9           2HB      SER   9  14.313  -2.467   8.793
   74    HG   SER   9           HG       SER   9  15.409  -0.847   7.136
   75    H    GLU  10           H        GLU  10  11.008  -0.621   8.183
   76    HA   GLU  10           HA       GLU  10   9.789  -3.045   9.064
   77    HB2  GLU  10           1HB      GLU  10   8.664  -0.292   8.558
   78    HB3  GLU  10           2HB      GLU  10   7.687  -1.618   9.172
   79    HG2  GLU  10           1HG      GLU  10  10.101  -0.411  10.499
   80    HG3  GLU  10           2HG      GLU  10   8.418  -0.196  10.976
   81    H    PHE  11           H        PHE  11   9.267  -0.984   6.263
   82    HA   PHE  11           HA       PHE  11   7.256  -2.496   5.021
   83    HB2  PHE  11           1HB      PHE  11   7.406  -0.380   4.179
   84    HB3  PHE  11           2HB      PHE  11   9.161  -0.346   4.240
   85    HD1  PHE  11           1HD      PHE  11   6.234  -1.219   2.259
   86    HD2  PHE  11           2HD      PHE  11  10.479  -1.187   2.394
   87    HE1  PHE  11           1HE      PHE  11   6.303  -1.584  -0.172
   88    HE2  PHE  11           2HE      PHE  11  10.563  -1.557  -0.037
   89    HZ   PHE  11           HZ       PHE  11   8.472  -1.753  -1.325
   90    H    ASP  12           H        ASP  12  10.757  -2.541   4.701
   91    HA   ASP  12           HA       ASP  12  11.057  -4.285   2.571
   92    HB2  ASP  12           1HB      ASP  12  12.934  -3.061   3.433
   93    HB3  ASP  12           2HB      ASP  12  12.795  -3.848   5.001
   94    H    SER  13           H        SER  13  10.904  -5.089   6.038
   95    HA   SER  13           HA       SER  13  11.276  -7.864   5.637
   96    HB2  SER  13           1HB      SER  13   9.953  -6.512   7.998
   97    HB3  SER  13           2HB      SER  13  10.720  -8.099   7.978
   98    HG   SER  13           HG       SER  13  11.857  -5.868   8.605
   99    H    ALA  14           H        ALA  14   8.405  -5.838   5.891
  100    HA   ALA  14           HA       ALA  14   6.509  -7.908   6.060
  101    HB1  ALA  14           1HB      ALA  14   6.228  -5.136   4.914
  102    HB2  ALA  14           2HB      ALA  14   5.906  -5.627   6.578
  103    HB3  ALA  14           3HB      ALA  14   4.889  -6.227   5.265
  104    H    ILE  15           H        ILE  15   7.676  -6.066   3.245
  105    HA   ILE  15           HA       ILE  15   6.072  -7.491   1.396
  106    HB   ILE  15           HB       ILE  15   7.403  -6.430  -0.348
  107   HG12  ILE  15          1HG1      ILE  15   9.082  -5.161   1.804
  108   HG13  ILE  15          2HG1      ILE  15   9.570  -6.661   1.028
  109   HG21  ILE  15          1HG2      ILE  15   5.614  -5.165   0.722
  110   HG22  ILE  15          2HG2      ILE  15   6.935  -4.103   0.237
  111   HG23  ILE  15          3HG2      ILE  15   6.750  -4.564   1.930
  112   HD11  ILE  15          3HD1      ILE  15  10.648  -4.743   0.011
  113   HD12  ILE  15          1HD1      ILE  15   9.073  -4.037  -0.354
  114   HD13  ILE  15          2HD1      ILE  15   9.568  -5.539  -1.136
  115    H    ALA  16           H        ALA  16   9.067  -8.204   2.928
  116    HA   ALA  16           HA       ALA  16  10.026 -10.000   0.901
  117    HB1  ALA  16           1HB      ALA  16  10.865  -9.770   3.782
  118    HB2  ALA  16           2HB      ALA  16  11.555  -8.844   2.447
  119    HB3  ALA  16           3HB      ALA  16  11.743 -10.599   2.497
  120    H    GLN  17           H        GLN  17   7.679 -10.162   3.290
  121    HA   GLN  17           HA       GLN  17   7.918 -12.951   3.887
  122    HB2  GLN  17           1HB      GLN  17   5.677 -10.979   4.340
  123    HB3  GLN  17           2HB      GLN  17   5.616 -12.654   4.869
  124    HG2  GLN  17           1HG      GLN  17   7.573 -12.289   6.270
  125    HG3  GLN  17           2HG      GLN  17   7.641 -10.608   5.740
  126   HE21  GLN  17          1HE2      GLN  17   4.732 -10.327   5.749
  127   HE22  GLN  17          2HE2      GLN  17   4.266 -10.221   7.411
  128    H    ASP  18           H        ASP  18   6.656 -14.640   3.103
  129    HA   ASP  18           HA       ASP  18   5.832 -14.315   0.354
  130    HB2  ASP  18           1HB      ASP  18   7.085 -16.314   1.204
  131    HB3  ASP  18           2HB      ASP  18   5.636 -16.760   2.096
  132    H    LYS  19           H        LYS  19   4.269 -12.783   1.853
  133    HA   LYS  19           HA       LYS  19   1.641 -14.014   1.493
  134    HB2  LYS  19           1HB      LYS  19   0.840 -13.469   3.574
  135    HB3  LYS  19           2HB      LYS  19   2.484 -13.920   3.965
  136    HG2  LYS  19           1HG      LYS  19   3.122 -11.772   4.440
  137    HG3  LYS  19           2HG      LYS  19   1.888 -11.061   3.393
  138    HD2  LYS  19           1HD      LYS  19   1.333 -12.482   5.998
  139    HD3  LYS  19           2HD      LYS  19   1.417 -10.728   5.800
  140    HE2  LYS  19           1HE      LYS  19  -0.482 -10.702   4.387
  141    HE3  LYS  19           2HE      LYS  19  -0.458 -12.452   4.192
  142    HZ1  LYS  19           3HZ      LYS  19  -0.947 -12.602   6.612
  143    HZ2  LYS  19           1HZ      LYS  19  -2.186 -11.889   5.704
  144    HZ3  LYS  19           2HZ      LYS  19  -1.157 -10.921   6.641
  145    H    LEU  20           H        LEU  20  -0.062 -12.262   1.533
  146    HA   LEU  20           HA       LEU  20   0.700 -10.273  -0.374
  147    HB2  LEU  20           1HB      LEU  20  -1.533 -11.570  -0.133
  148    HB3  LEU  20           2HB      LEU  20  -1.927 -10.376   1.081
  149    HG   LEU  20           HG       LEU  20  -2.965  -9.767  -0.989
  150   HD11  LEU  20          1HD1      LEU  20  -2.039  -7.535  -1.383
  151   HD12  LEU  20          2HD1      LEU  20  -0.619  -7.970  -0.427
  152   HD13  LEU  20          3HD1      LEU  20  -2.209  -7.907   0.331
  153   HD21  LEU  20          3HD2      LEU  20  -0.236  -9.734  -2.250
  154   HD22  LEU  20          1HD2      LEU  20  -1.774  -9.360  -3.032
  155   HD23  LEU  20          2HD2      LEU  20  -1.440 -11.003  -2.477
  156    H    VAL  21           H        VAL  21   1.949  -8.649   0.400
  157    HA   VAL  21           HA       VAL  21   0.822  -7.107   2.644
  158    HB   VAL  21           HB       VAL  21   3.694  -7.261   1.692
  159   HG11  VAL  21          1HG1      VAL  21   2.522  -5.425   3.782
  160   HG12  VAL  21          2HG1      VAL  21   3.078  -4.925   2.186
  161   HG13  VAL  21          3HG1      VAL  21   4.231  -5.566   3.365
  162   HG21  VAL  21          3HG2      VAL  21   2.392  -7.893   4.342
  163   HG22  VAL  21          1HG2      VAL  21   4.117  -7.998   3.991
  164   HG23  VAL  21          2HG2      VAL  21   2.983  -9.069   3.169
  165    H    VAL  22           H        VAL  22  -0.418  -5.556   1.823
  166    HA   VAL  22           HA       VAL  22   0.593  -4.067  -0.471
  167    HB   VAL  22           HB       VAL  22  -1.503  -4.436  -1.146
  168   HG11  VAL  22          1HG1      VAL  22  -3.434  -4.841   0.280
  169   HG12  VAL  22          2HG1      VAL  22  -2.434  -4.535   1.703
  170   HG13  VAL  22          3HG1      VAL  22  -2.082  -5.907   0.651
  171   HG21  VAL  22          3HG2      VAL  22  -1.468  -2.037  -0.964
  172   HG22  VAL  22          1HG2      VAL  22  -2.003  -2.123   0.716
  173   HG23  VAL  22          2HG2      VAL  22  -3.085  -2.626  -0.581
  174    H    VAL  23           H        VAL  23   1.840  -2.509   0.017
  175    HA   VAL  23           HA       VAL  23   1.347  -0.844   2.386
  176    HB   VAL  23           HB       VAL  23   3.780  -1.211   0.630
  177   HG11  VAL  23          1HG1      VAL  23   3.441   0.627   2.994
  178   HG12  VAL  23          2HG1      VAL  23   3.612   1.131   1.312
  179   HG13  VAL  23          3HG1      VAL  23   4.947   0.318   2.130
  180   HG21  VAL  23          3HG2      VAL  23   3.147  -2.952   2.353
  181   HG22  VAL  23          1HG2      VAL  23   3.472  -1.728   3.576
  182   HG23  VAL  23          2HG2      VAL  23   4.762  -2.269   2.503
  183    H    ALA  24           H        ALA  24   0.774   1.263   2.203
  184    HA   ALA  24           HA       ALA  24   0.799   2.497  -0.470
  185    HB1  ALA  24           1HB      ALA  24  -1.292   2.605   1.661
  186    HB2  ALA  24           2HB      ALA  24  -1.473   2.147  -0.029
  187    HB3  ALA  24           3HB      ALA  24  -1.197   3.835   0.401
  188    H    PHE  25           H        PHE  25   2.295   3.910  -0.602
  189    HA   PHE  25           HA       PHE  25   3.359   5.354   1.601
  190    HB2  PHE  25           1HB      PHE  25   3.561   5.792  -1.380
  191    HB3  PHE  25           2HB      PHE  25   4.543   6.638  -0.180
  192    HD1  PHE  25           2HD      PHE  25   6.053   5.249   1.311
  193    HD2  PHE  25           1HD      PHE  25   4.181   3.694  -2.180
  194    HE1  PHE  25           2HE      PHE  25   7.675   3.401   1.262
  195    HE2  PHE  25           1HE      PHE  25   5.803   1.844  -2.230
  196    HZ   PHE  25           HZ       PHE  25   7.551   1.698  -0.506
  197    H    TYR  26           H        TYR  26   2.403   6.977   2.624
  198    HA   TYR  26           HA       TYR  26   0.152   8.306   1.274
  199    HB2  TYR  26           1HB      TYR  26   0.096   6.458   3.388
  200    HB3  TYR  26           2HB      TYR  26  -0.213   8.033   4.118
  201    HD1  TYR  26           2HD      TYR  26  -1.177   6.156   1.080
  202    HD2  TYR  26           1HD      TYR  26  -2.402   8.639   4.294
  203    HE1  TYR  26           2HE      TYR  26  -3.486   6.031   0.281
  204    HE2  TYR  26           1HE      TYR  26  -4.724   8.531   3.508
  205    HH   TYR  26           HH       TYR  26  -5.986   8.034   1.639
  206    H    ALA  27           H        ALA  27  -0.729  10.084   2.700
  207    HA   ALA  27           HA       ALA  27   1.065  11.452   4.463
  208    HB1  ALA  27           1HB      ALA  27   1.932  12.240   2.308
  209    HB2  ALA  27           2HB      ALA  27   1.125  13.549   3.172
  210    HB3  ALA  27           3HB      ALA  27   0.311  12.745   1.830
  211    H    THR  28           H        THR  28  -0.090  12.990   5.711
  212    HA   THR  28           HA       THR  28  -2.944  12.551   5.713
  213    HB   THR  28           HB       THR  28  -2.804  14.086   7.770
  214    HG1  THR  28           1HG      THR  28  -0.226  13.525   8.258
  215   HG21  THR  28          3HG2      THR  28  -1.938  12.259   9.167
  216   HG22  THR  28          1HG2      THR  28  -1.289  11.471   7.729
  217   HG23  THR  28          2HG2      THR  28  -3.032  11.659   7.920
  218    H    TRP  29           H        TRP  29  -1.061  14.665   4.044
  219    HA   TRP  29           HA       TRP  29  -2.950  16.898   4.352
  220    HB2  TRP  29           1HB      TRP  29  -0.874  18.239   3.474
  221    HB3  TRP  29           2HB      TRP  29  -1.003  17.800   5.173
  222    HD1  TRP  29           HD       TRP  29   0.663  15.948   6.096
  223    HE1  TRP  29           1HE      TRP  29   2.903  15.039   5.214
  224    HE3  TRP  29           3HE      TRP  29   0.402  17.660   1.284
  225    HZ2  TRP  29           2HZ      TRP  29   4.362  15.039   2.801
  226    HZ3  TRP  29           3HZ      TRP  29   2.263  17.163  -0.246
  227    HH2  TRP  29           HH       TRP  29   4.203  15.879   0.498
  228    H    CYS  30           H        CYS  30  -3.791  15.134   2.481
  229    HA   CYS  30           HA       CYS  30  -3.509  16.746   0.104
  230    HB2  CYS  30           1HB      CYS  30  -3.096  14.611  -1.295
  231    HB3  CYS  30           2HB      CYS  30  -1.741  15.385  -0.486
  232    H    GLY  31           H        GLY  31  -4.872  15.815  -1.755
  233    HA2  GLY  31           1HA      GLY  31  -7.522  15.319  -0.705
  234    HA3  GLY  31           2HA      GLY  31  -7.099  15.611  -2.384
  235    HA   PRO  32           HA       PRO  32  -7.108  11.363  -3.634
  236    HB2  PRO  32           1HB      PRO  32  -4.154  11.058  -3.337
  237    HB3  PRO  32           2HB      PRO  32  -5.195  10.648  -4.703
  238    HG2  PRO  32           1HG      PRO  32  -3.674  12.816  -4.786
  239    HG3  PRO  32           2HG      PRO  32  -5.323  12.842  -5.437
  240    HD2  PRO  32           1HD      PRO  32  -4.276  13.981  -2.884
  241    HD3  PRO  32           2HD      PRO  32  -5.531  14.610  -3.965
  242    H    CYS  33           H        CYS  33  -4.752  11.859  -1.036
  243    HA   CYS  33           HA       CYS  33  -4.946   9.257   0.056
  244    HB2  CYS  33           1HB      CYS  33  -3.910  10.356   2.078
  245    HB3  CYS  33           2HB      CYS  33  -3.024  10.567   0.571
  246    H    LYS  34           H        LYS  34  -6.873  12.138   0.440
  247    HA   LYS  34           HA       LYS  34  -8.065  11.382   2.897
  248    HB2  LYS  34           1HB      LYS  34  -8.048  13.707   2.111
  249    HB3  LYS  34           2HB      LYS  34  -9.085  13.265   0.762
  250    HG2  LYS  34           1HG      LYS  34 -10.363  14.335   2.520
  251    HG3  LYS  34           2HG      LYS  34 -10.859  12.654   2.326
  252    HD2  LYS  34           1HD      LYS  34  -9.302  12.089   4.223
  253    HD3  LYS  34           2HD      LYS  34  -9.115  13.824   4.485
  254    HE2  LYS  34           1HE      LYS  34 -10.800  12.892   5.974
  255    HE3  LYS  34           2HE      LYS  34 -11.523  14.028   4.836
  256    HZ1  LYS  34           3HZ      LYS  34 -11.545  11.074   4.534
  257    HZ2  LYS  34           1HZ      LYS  34 -12.300  12.188   3.512
  258    HZ3  LYS  34           2HZ      LYS  34 -12.841  12.000   5.100
  259    H    MET  35           H        MET  35  -8.846  10.765  -0.480
  260    HA   MET  35           HA       MET  35 -11.455   9.714   0.160
  261    HB2  MET  35           1HB      MET  35 -11.623   9.162  -2.209
  262    HB3  MET  35           2HB      MET  35 -11.136  10.831  -1.959
  263    HG2  MET  35           1HG      MET  35  -8.833  10.221  -2.459
  264    HG3  MET  35           2HG      MET  35  -9.331   8.548  -2.690
  265    HE1  MET  35           3HE      MET  35 -11.697   8.881  -5.813
  266    HE2  MET  35           1HE      MET  35 -12.294   9.344  -4.218
  267    HE3  MET  35           2HE      MET  35 -11.273   7.920  -4.399
  268    H    ILE  36           H        ILE  36  -8.367   8.181  -0.850
  269    HA   ILE  36           HA       ILE  36  -9.661   5.633  -0.904
  270    HB   ILE  36           HB       ILE  36  -7.968   5.469  -2.395
  271   HG12  ILE  36          1HG1      ILE  36  -7.658   3.860  -0.301
  272   HG13  ILE  36          2HG1      ILE  36  -6.557   3.809  -1.660
  273   HG21  ILE  36          1HG2      ILE  36  -5.752   6.471  -2.193
  274   HG22  ILE  36          2HG2      ILE  36  -6.185   7.088  -0.598
  275   HG23  ILE  36          3HG2      ILE  36  -7.040   7.662  -2.030
  276   HD11  ILE  36          3HD1      ILE  36  -5.551   3.808   0.671
  277   HD12  ILE  36          1HD1      ILE  36  -6.031   5.507   0.755
  278   HD13  ILE  36          2HD1      ILE  36  -4.890   4.962  -0.485
  279    H    ALA  37           H        ALA  37  -8.117   7.511   1.536
  280    HA   ALA  37           HA       ALA  37  -7.204   5.447   3.177
  281    HB1  ALA  37           1HB      ALA  37  -6.632   7.807   3.460
  282    HB2  ALA  37           2HB      ALA  37  -7.155   7.040   4.964
  283    HB3  ALA  37           3HB      ALA  37  -8.250   8.112   4.093
  284    HA   PRO  38           HA       PRO  38 -11.751   5.197   5.023
  285    HB2  PRO  38           1HB      PRO  38 -13.170   6.207   2.617
  286    HB3  PRO  38           2HB      PRO  38 -13.590   6.374   4.325
  287    HG2  PRO  38           1HG      PRO  38 -12.611   8.433   2.957
  288    HG3  PRO  38           2HG      PRO  38 -12.142   8.148   4.643
  289    HD2  PRO  38           1HD      PRO  38 -10.617   7.596   2.132
  290    HD3  PRO  38           2HD      PRO  38 -10.040   8.200   3.696
  291    H    MET  39           H        MET  39 -11.171   5.028   1.484
  292    HA   MET  39           HA       MET  39 -12.701   2.672   1.110
  293    HB2  MET  39           1HB      MET  39 -10.494   3.884  -0.531
  294    HB3  MET  39           2HB      MET  39 -11.364   2.442  -1.029
  295    HG2  MET  39           1HG      MET  39 -12.596   5.136  -0.495
  296    HG3  MET  39           2HG      MET  39 -12.245   4.460  -2.084
  297    HE1  MET  39           3HE      MET  39 -14.702   4.734  -2.966
  298    HE2  MET  39           1HE      MET  39 -15.079   5.557  -1.454
  299    HE3  MET  39           2HE      MET  39 -16.128   4.267  -2.039
  300    H    ILE  40           H        ILE  40  -9.112   2.962   1.311
  301    HA   ILE  40           HA       ILE  40  -8.632   0.197   1.352
  302    HB   ILE  40           HB       ILE  40  -7.027   2.546   1.738
  303   HG12  ILE  40          1HG1      ILE  40  -5.243   0.541   1.465
  304   HG13  ILE  40          2HG1      ILE  40  -6.701  -0.290   0.940
  305   HG21  ILE  40          1HG2      ILE  40  -6.974   2.101   4.094
  306   HG22  ILE  40          2HG2      ILE  40  -5.410   1.691   3.386
  307   HG23  ILE  40          3HG2      ILE  40  -6.554   0.416   3.800
  308   HD11  ILE  40          3HD1      ILE  40  -7.074   1.547  -0.704
  309   HD12  ILE  40          1HD1      ILE  40  -5.598   0.610  -0.964
  310   HD13  ILE  40          2HD1      ILE  40  -5.501   2.199  -0.216
  311    H    GLU  41           H        GLU  41  -9.468   2.439   3.945
  312    HA   GLU  41           HA       GLU  41  -9.202   0.781   6.158
  313    HB2  GLU  41           1HB      GLU  41  -9.848   3.163   6.272
  314    HB3  GLU  41           2HB      GLU  41 -11.418   2.760   5.592
  315    HG2  GLU  41           1HG      GLU  41 -11.705   3.033   7.922
  316    HG3  GLU  41           2HG      GLU  41 -11.817   1.308   7.582
  317    H    LYS  42           H        LYS  42 -11.939   1.101   3.919
  318    HA   LYS  42           HA       LYS  42 -13.576  -0.823   5.148
  319    HB2  LYS  42           1HB      LYS  42 -14.361   0.825   3.482
  320    HB3  LYS  42           2HB      LYS  42 -13.452  -0.022   2.238
  321    HG2  LYS  42           1HG      LYS  42 -14.901  -2.064   3.098
  322    HG3  LYS  42           2HG      LYS  42 -15.992  -0.754   3.567
  323    HD2  LYS  42           1HD      LYS  42 -15.522   0.101   1.141
  324    HD3  LYS  42           2HD      LYS  42 -15.055  -1.580   0.859
  325    HE2  LYS  42           1HE      LYS  42 -17.364  -1.337   0.274
  326    HE3  LYS  42           2HE      LYS  42 -17.271  -2.271   1.767
  327    HZ1  LYS  42           3HZ      LYS  42 -17.922   0.618   1.542
  328    HZ2  LYS  42           1HZ      LYS  42 -17.760  -0.225   2.998
  329    HZ3  LYS  42           2HZ      LYS  42 -19.000  -0.627   1.926
  330    H    PHE  43           H        PHE  43 -11.328  -1.095   2.441
  331    HA   PHE  43           HA       PHE  43 -11.744  -3.828   1.987
  332    HB2  PHE  43           1HB      PHE  43  -9.414  -2.071   1.260
  333    HB3  PHE  43           2HB      PHE  43  -9.652  -3.710   0.674
  334    HD1  PHE  43           2HD      PHE  43 -12.850  -2.579   0.886
  335    HD2  PHE  43           1HD      PHE  43  -9.301  -1.895  -1.366
  336    HE1  PHE  43           2HE      PHE  43 -14.201  -1.683  -0.971
  337    HE2  PHE  43           1HE      PHE  43 -10.649  -0.988  -3.219
  338    HZ   PHE  43           HZ       PHE  43 -13.100  -0.886  -3.022
  339    H    SER  44           H        SER  44 -10.038  -2.164   4.388
  340    HA   SER  44           HA       SER  44  -8.242  -4.356   4.997
  341    HB2  SER  44           1HB      SER  44  -7.201  -2.939   6.587
  342    HB3  SER  44           2HB      SER  44  -7.600  -1.887   5.227
  343    HG   SER  44           HG       SER  44  -9.555  -1.355   6.454
  344    H    GLU  45           H        GLU  45 -11.377  -3.316   5.660
  345    HA   GLU  45           HA       GLU  45 -11.637  -4.972   8.028
  346    HB2  GLU  45           1HB      GLU  45 -13.729  -3.679   6.267
  347    HB3  GLU  45           2HB      GLU  45 -14.074  -4.560   7.749
  348    HG2  GLU  45           1HG      GLU  45 -12.753  -2.920   9.009
  349    HG3  GLU  45           2HG      GLU  45 -12.474  -2.023   7.515
  350    H    GLN  46           H        GLN  46 -11.786  -5.223   4.606
  351    HA   GLN  46           HA       GLN  46 -12.731  -7.994   4.859
  352    HB2  GLN  46           1HB      GLN  46 -13.205  -7.474   2.254
  353    HB3  GLN  46           2HB      GLN  46 -14.396  -7.271   3.529
  354    HG2  GLN  46           1HG      GLN  46 -14.220  -4.977   3.510
  355    HG3  GLN  46           2HG      GLN  46 -12.605  -4.986   2.813
  356   HE21  GLN  46          1HE2      GLN  46 -15.074  -3.596   2.027
  357   HE22  GLN  46          2HE2      GLN  46 -15.355  -4.036   0.377
  358    H    TYR  47           H        TYR  47  -9.928  -7.120   5.015
  359    HA   TYR  47           HA       TYR  47  -8.900  -8.518   2.658
  360    HB2  TYR  47           1HB      TYR  47  -6.659  -7.863   3.362
  361    HB3  TYR  47           2HB      TYR  47  -7.720  -6.473   3.242
  362    HD1  TYR  47           1HD      TYR  47  -8.792  -7.811   6.172
  363    HD2  TYR  47           2HD      TYR  47  -5.321  -5.976   4.570
  364    HE1  TYR  47           1HE      TYR  47  -8.100  -7.151   8.444
  365    HE2  TYR  47           2HE      TYR  47  -4.623  -5.305   6.826
  366    HH   TYR  47           HH       TYR  47  -5.646  -4.885   9.032
  367    HA   PRO  48           HA       PRO  48  -9.513 -12.022   5.434
  368    HB2  PRO  48           1HB      PRO  48  -9.095 -13.629   3.011
  369    HB3  PRO  48           2HB      PRO  48 -10.491 -13.564   4.087
  370    HG2  PRO  48           1HG      PRO  48 -10.556 -12.527   1.608
  371    HG3  PRO  48           2HG      PRO  48 -11.451 -11.808   2.956
  372    HD2  PRO  48           1HD      PRO  48  -8.873 -10.940   1.715
  373    HD3  PRO  48           2HD      PRO  48 -10.231  -9.957   2.302
  374    H    GLN  49           H        GLN  49  -7.064 -12.151   2.838
  375    HA   GLN  49           HA       GLN  49  -5.370 -13.690   4.684
  376    HB2  GLN  49           1HB      GLN  49  -4.227 -14.602   2.750
  377    HB3  GLN  49           2HB      GLN  49  -5.947 -14.943   2.693
  378    HG2  GLN  49           1HG      GLN  49  -6.301 -13.289   1.023
  379    HG3  GLN  49           2HG      GLN  49  -4.654 -12.680   1.198
  380   HE21  GLN  49          1HE2      GLN  49  -2.951 -13.847   0.330
  381   HE22  GLN  49          2HE2      GLN  49  -3.192 -15.102  -0.834
  382    H    ALA  50           H        ALA  50  -5.663 -10.621   3.531
  383    HA   ALA  50           HA       ALA  50  -2.826 -10.312   2.907
  384    HB1  ALA  50           1HB      ALA  50  -3.533  -8.189   1.829
  385    HB2  ALA  50           2HB      ALA  50  -5.206  -8.615   2.188
  386    HB3  ALA  50           3HB      ALA  50  -4.248  -9.631   1.113
  387    H    ASP  51           H        ASP  51  -1.822  -8.337   3.522
  388    HA   ASP  51           HA       ASP  51  -2.821  -7.233   6.059
  389    HB2  ASP  51           1HB      ASP  51  -0.164  -8.238   5.287
  390    HB3  ASP  51           2HB      ASP  51  -0.143  -6.681   6.111
  391    H    PHE  52           H        PHE  52  -3.210  -5.146   6.084
  392    HA   PHE  52           HA       PHE  52  -2.445  -3.539   3.766
  393    HB2  PHE  52           1HB      PHE  52  -4.656  -3.394   5.766
  394    HB3  PHE  52           2HB      PHE  52  -4.118  -1.902   5.003
  395    HD1  PHE  52           1HD      PHE  52  -4.113  -5.128   3.230
  396    HD2  PHE  52           2HD      PHE  52  -6.155  -1.478   3.946
  397    HE1  PHE  52           1HE      PHE  52  -5.585  -5.580   1.311
  398    HE2  PHE  52           2HE      PHE  52  -7.629  -1.915   2.049
  399    HZ   PHE  52           HZ       PHE  52  -7.351  -3.967   0.717
  400    H    TYR  53           H        TYR  53  -0.761  -2.227   3.978
  401    HA   TYR  53           HA       TYR  53  -0.512  -0.816   6.542
  402    HB2  TYR  53           1HB      TYR  53   1.849  -1.548   4.800
  403    HB3  TYR  53           2HB      TYR  53   1.877  -0.844   6.421
  404    HD1  TYR  53           2HD      TYR  53   0.501  -2.362   8.192
  405    HD2  TYR  53           1HD      TYR  53   2.423  -3.770   4.684
  406    HE1  TYR  53           2HE      TYR  53   0.676  -4.592   9.201
  407    HE2  TYR  53           1HE      TYR  53   2.604  -6.015   5.679
  408    HH   TYR  53           HH       TYR  53   0.876  -7.000   8.325
  409    H    LYS  54           H        LYS  54  -0.354   1.333   6.368
  410    HA   LYS  54           HA       LYS  54  -0.015   2.487   3.665
  411    HB2  LYS  54           1HB      LYS  54  -2.392   2.343   4.746
  412    HB3  LYS  54           2HB      LYS  54  -1.831   3.646   5.767
  413    HG2  LYS  54           1HG      LYS  54  -1.881   5.172   4.087
  414    HG3  LYS  54           2HG      LYS  54  -1.609   3.971   2.831
  415    HD2  LYS  54           1HD      LYS  54  -3.947   5.055   3.010
  416    HD3  LYS  54           2HD      LYS  54  -3.877   3.302   2.791
  417    HE2  LYS  54           1HE      LYS  54  -5.516   3.942   4.490
  418    HE3  LYS  54           2HE      LYS  54  -4.209   2.997   5.209
  419    HZ1  LYS  54           3HZ      LYS  54  -3.228   5.095   5.988
  420    HZ2  LYS  54           1HZ      LYS  54  -4.783   4.860   6.605
  421    HZ3  LYS  54           2HZ      LYS  54  -4.535   5.957   5.347
  422    H    LEU  55           H        LEU  55   1.716   3.891   3.628
  423    HA   LEU  55           HA       LEU  55   2.973   4.255   6.269
  424    HB2  LEU  55           1HB      LEU  55   4.269   4.739   3.620
  425    HB3  LEU  55           2HB      LEU  55   5.035   4.554   5.181
  426    HG   LEU  55           HG       LEU  55   3.935   2.488   3.378
  427   HD11  LEU  55          1HD1      LEU  55   6.308   3.009   3.483
  428   HD12  LEU  55          2HD1      LEU  55   5.978   1.366   4.036
  429   HD13  LEU  55          3HD1      LEU  55   6.297   2.648   5.210
  430   HD21  LEU  55          3HD2      LEU  55   3.917   0.854   5.224
  431   HD22  LEU  55          1HD2      LEU  55   2.646   2.069   5.375
  432   HD23  LEU  55          2HD2      LEU  55   4.100   2.188   6.358
  433    H    ASP  56           H        ASP  56   4.022   6.225   6.874
  434    HA   ASP  56           HA       ASP  56   2.792   8.613   5.729
  435    HB2  ASP  56           1HB      ASP  56   4.558   8.162   8.142
  436    HB3  ASP  56           2HB      ASP  56   4.113   9.764   7.568
  437    H    VAL  57           H        VAL  57   3.739   9.034   3.815
  438    HA   VAL  57           HA       VAL  57   6.352   8.459   3.061
  439    HB   VAL  57           HB       VAL  57   4.154   9.290   1.776
  440   HG11  VAL  57          1HG1      VAL  57   4.427  11.492   0.819
  441   HG12  VAL  57          2HG1      VAL  57   5.904  11.743   1.747
  442   HG13  VAL  57          3HG1      VAL  57   4.356  11.611   2.580
  443   HG21  VAL  57          3HG2      VAL  57   5.557   9.525  -0.226
  444   HG22  VAL  57          1HG2      VAL  57   5.973   8.126   0.765
  445   HG23  VAL  57          2HG2      VAL  57   6.983   9.572   0.811
  446    H    ASP  58           H        ASP  58   5.139  10.962   5.037
  447    HA   ASP  58           HA       ASP  58   7.038  12.992   4.641
  448    HB2  ASP  58           1HB      ASP  58   4.941  13.299   5.874
  449    HB3  ASP  58           2HB      ASP  58   5.518  12.223   7.144
  450    H    GLU  59           H        GLU  59   7.013  10.123   6.689
  451    HA   GLU  59           HA       GLU  59   9.788  10.612   7.478
  452    HB2  GLU  59           1HB      GLU  59   7.814   8.467   8.278
  453    HB3  GLU  59           2HB      GLU  59   9.481   8.520   8.831
  454    HG2  GLU  59           1HG      GLU  59   9.047  10.685   9.888
  455    HG3  GLU  59           2HG      GLU  59   7.368  10.597   9.354
  456    H    LEU  60           H        LEU  60   7.784   8.460   5.576
  457    HA   LEU  60           HA       LEU  60  10.046   6.755   4.921
  458    HB2  LEU  60           1HB      LEU  60   7.086   6.542   4.354
  459    HB3  LEU  60           2HB      LEU  60   8.264   5.477   3.607
  460    HG   LEU  60           HG       LEU  60   7.331   4.312   5.447
  461   HD11  LEU  60          1HD1      LEU  60   9.750   4.057   5.143
  462   HD12  LEU  60          2HD1      LEU  60   9.260   3.853   6.825
  463   HD13  LEU  60          3HD1      LEU  60  10.018   5.357   6.308
  464   HD21  LEU  60          3HD2      LEU  60   6.402   6.193   6.677
  465   HD22  LEU  60          1HD2      LEU  60   8.022   6.682   7.171
  466   HD23  LEU  60          2HD2      LEU  60   7.351   5.153   7.738
  467    H    GLY  61           H        GLY  61  10.536   9.205   3.922
  468    HA2  GLY  61           1HA      GLY  61   9.668   9.444   1.193
  469    HA3  GLY  61           2HA      GLY  61  10.945  10.370   1.968
  470    H    ASP  62           H        ASP  62  12.493   8.156   2.837
  471    HA   ASP  62           HA       ASP  62  14.082   7.791   0.528
  472    HB2  ASP  62           1HB      ASP  62  15.481   6.349   1.953
  473    HB3  ASP  62           2HB      ASP  62  15.070   7.853   2.765
  474    H    VAL  63           H        VAL  63  11.842   5.647   2.241
  475    HA   VAL  63           HA       VAL  63  12.365   3.426   0.528
  476    HB   VAL  63           HB       VAL  63  11.486   2.943   2.713
  477   HG11  VAL  63          1HG1      VAL  63   9.097   4.556   1.921
  478   HG12  VAL  63          2HG1      VAL  63  10.284   4.952   3.164
  479   HG13  VAL  63          3HG1      VAL  63   9.228   3.552   3.366
  480   HG21  VAL  63          3HG2      VAL  63  10.839   1.393   0.971
  481   HG22  VAL  63          1HG2      VAL  63   9.430   2.388   0.598
  482   HG23  VAL  63          2HG2      VAL  63   9.539   1.563   2.154
  483    H    ALA  64           H        ALA  64   9.976   6.006   0.554
  484    HA   ALA  64           HA       ALA  64   8.398   5.175  -1.585
  485    HB1  ALA  64           1HB      ALA  64   9.209   7.997  -0.892
  486    HB2  ALA  64           2HB      ALA  64   7.869   7.107  -0.169
  487    HB3  ALA  64           3HB      ALA  64   7.828   7.523  -1.882
  488    H    GLN  65           H        GLN  65  11.534   6.763  -1.521
  489    HA   GLN  65           HA       GLN  65  11.659   7.190  -4.340
  490    HB2  GLN  65           1HB      GLN  65  13.795   7.188  -2.197
  491    HB3  GLN  65           2HB      GLN  65  14.084   7.638  -3.874
  492    HG2  GLN  65           1HG      GLN  65  12.128   9.006  -2.041
  493    HG3  GLN  65           2HG      GLN  65  13.767   9.561  -2.359
  494   HE21  GLN  65          1HE2      GLN  65  13.067  11.506  -3.215
  495   HE22  GLN  65          2HE2      GLN  65  12.310  11.624  -4.765
  496    H    LYS  66           H        LYS  66  12.545   4.605  -2.174
  497    HA   LYS  66           HA       LYS  66  14.120   3.052  -3.862
  498    HB2  LYS  66           1HB      LYS  66  12.195   2.273  -1.681
  499    HB3  LYS  66           2HB      LYS  66  13.320   1.166  -2.440
  500    HG2  LYS  66           1HG      LYS  66  15.188   2.525  -1.619
  501    HG3  LYS  66           2HG      LYS  66  14.020   3.595  -0.843
  502    HD2  LYS  66           1HD      LYS  66  14.941   2.026   0.773
  503    HD3  LYS  66           2HD      LYS  66  13.221   1.738   0.533
  504    HE2  LYS  66           1HE      LYS  66  14.379  -0.367   0.622
  505    HE3  LYS  66           2HE      LYS  66  13.773  -0.105  -1.008
  506    HZ1  LYS  66           3HZ      LYS  66  15.963   0.538  -1.717
  507    HZ2  LYS  66           1HZ      LYS  66  16.045  -0.972  -0.966
  508    HZ3  LYS  66           2HZ      LYS  66  16.563   0.407  -0.144
  509    H    ASN  67           H        ASN  67  10.668   3.341  -3.437
  510    HA   ASN  67           HA       ASN  67  10.189   1.212  -5.371
  511    HB2  ASN  67           1HB      ASN  67   8.368   2.666  -3.455
  512    HB3  ASN  67           2HB      ASN  67   7.799   1.473  -4.622
  513   HD21  ASN  67          1HD2      ASN  67   9.796   1.990  -1.794
  514   HD22  ASN  67          2HD2      ASN  67   9.873   0.332  -1.310
  515    H    GLU  68           H        GLU  68  10.968   4.211  -5.746
  516    HA   GLU  68           HA       GLU  68  10.763   5.725  -7.431
  517    HB2  GLU  68           1HB      GLU  68   9.231   3.532  -8.838
  518    HB3  GLU  68           2HB      GLU  68   9.999   4.920  -9.594
  519    HG2  GLU  68           1HG      GLU  68  12.172   4.107  -9.047
  520    HG3  GLU  68           2HG      GLU  68  11.495   2.817  -8.053
  521    H    VAL  69           H        VAL  69   8.904   5.938  -5.383
  522    HA   VAL  69           HA       VAL  69   6.246   6.192  -6.436
  523    HB   VAL  69           HB       VAL  69   7.449   7.074  -3.810
  524   HG11  VAL  69          1HG1      VAL  69   5.149   7.377  -3.025
  525   HG12  VAL  69          2HG1      VAL  69   4.551   7.039  -4.649
  526   HG13  VAL  69          3HG1      VAL  69   5.527   8.477  -4.351
  527   HG21  VAL  69          3HG2      VAL  69   6.223   5.159  -2.903
  528   HG22  VAL  69          1HG2      VAL  69   7.389   4.664  -4.131
  529   HG23  VAL  69          2HG2      VAL  69   5.672   4.747  -4.528
  530    H    SER  70           H        SER  70   5.805   7.737  -7.840
  531    HA   SER  70           HA       SER  70   6.861  10.436  -7.347
  532    HB2  SER  70           1HB      SER  70   6.273  10.758  -9.828
  533    HB3  SER  70           2HB      SER  70   7.656   9.727  -9.459
  534    HG   SER  70           HG       SER  70   6.649   8.109 -10.328
  535    H    ALA  71           H        ALA  71   4.188   8.628  -6.886
  536    HA   ALA  71           HA       ALA  71   2.412  10.950  -7.080
  537    HB1  ALA  71           1HB      ALA  71   1.976   9.577  -9.054
  538    HB2  ALA  71           2HB      ALA  71   0.601   9.550  -7.949
  539    HB3  ALA  71           3HB      ALA  71   1.699   8.173  -8.024
  540    H    MET  72           H        MET  72   0.886  11.087  -5.455
  541    HA   MET  72           HA       MET  72   1.073   9.003  -3.389
  542    HB2  MET  72           1HB      MET  72   0.150  11.249  -2.070
  543    HB3  MET  72           2HB      MET  72   1.791  10.629  -2.028
  544    HG2  MET  72           1HG      MET  72   1.784  13.001  -2.479
  545    HG3  MET  72           2HG      MET  72   2.407  12.111  -3.864
  546    HE1  MET  72           3HE      MET  72  -0.538  14.238  -2.413
  547    HE2  MET  72           1HE      MET  72  -1.336  12.691  -2.700
  548    HE3  MET  72           2HE      MET  72  -1.760  14.096  -3.677
  549    HA   PRO  73           HA       PRO  73   0.257   7.876  -2.144
  550    HB2  PRO  73           1HB      PRO  73  -1.330   5.790  -1.692
  551    HB3  PRO  73           2HB      PRO  73  -1.532   7.297  -0.787
  552    HG2  PRO  73           1HG      PRO  73  -3.078   6.291  -3.153
  553    HG3  PRO  73           2HG      PRO  73  -3.683   7.020  -1.653
  554    HD2  PRO  73           1HD      PRO  73  -3.357   8.412  -3.986
  555    HD3  PRO  73           2HD      PRO  73  -3.278   9.152  -2.379
  556    H    THR  74           H        THR  74   1.093   5.677  -2.502
  557    HA   THR  74           HA       THR  74   0.601   4.628  -5.198
  558    HB   THR  74           HB       THR  74   3.219   4.703  -3.682
  559    HG1  THR  74           1HG      THR  74   2.467   6.587  -4.976
  560   HG21  THR  74          3HG2      THR  74   4.190   3.540  -5.617
  561   HG22  THR  74          1HG2      THR  74   2.579   3.363  -6.312
  562   HG23  THR  74          2HG2      THR  74   2.982   2.548  -4.802
  563    H    LEU  75           H        LEU  75  -0.167   2.590  -5.194
  564    HA   LEU  75           HA       LEU  75  -0.169   1.159  -2.629
  565    HB2  LEU  75           1HB      LEU  75  -2.132   1.499  -4.809
  566    HB3  LEU  75           2HB      LEU  75  -2.044  -0.085  -4.071
  567    HG   LEU  75           HG       LEU  75  -3.814   1.309  -3.085
  568   HD11  LEU  75          1HD1      LEU  75  -1.521   0.654  -1.251
  569   HD12  LEU  75          2HD1      LEU  75  -2.863  -0.395  -1.702
  570   HD13  LEU  75          3HD1      LEU  75  -3.156   1.037  -0.716
  571   HD21  LEU  75          3HD2      LEU  75  -1.551   3.106  -2.224
  572   HD22  LEU  75          1HD2      LEU  75  -3.226   3.238  -1.690
  573   HD23  LEU  75          2HD2      LEU  75  -2.818   3.501  -3.385
  574    H    LEU  76           H        LEU  76   1.315  -0.388  -2.601
  575    HA   LEU  76           HA       LEU  76   1.549  -2.080  -5.002
  576    HB2  LEU  76           1HB      LEU  76   3.821  -1.445  -3.112
  577    HB3  LEU  76           2HB      LEU  76   3.917  -2.304  -4.633
  578    HG   LEU  76           HG       LEU  76   3.355   0.638  -4.286
  579   HD11  LEU  76          1HD1      LEU  76   5.750  -0.820  -5.390
  580   HD12  LEU  76          2HD1      LEU  76   5.673   0.036  -3.851
  581   HD13  LEU  76          3HD1      LEU  76   5.527   0.929  -5.365
  582   HD21  LEU  76          3HD2      LEU  76   3.405  -1.135  -6.696
  583   HD22  LEU  76          1HD2      LEU  76   3.681   0.603  -6.807
  584   HD23  LEU  76          2HD2      LEU  76   2.150  -0.012  -6.184
  585    H    LEU  77           H        LEU  77   0.835  -4.062  -4.559
  586    HA   LEU  77           HA       LEU  77   1.286  -5.037  -1.835
  587    HB2  LEU  77           1HB      LEU  77  -0.075  -6.997  -3.311
  588    HB3  LEU  77           2HB      LEU  77  -0.688  -5.998  -2.014
  589    HG   LEU  77           HG       LEU  77  -0.751  -5.167  -4.916
  590   HD11  LEU  77          1HD1      LEU  77  -2.057  -7.187  -4.613
  591   HD12  LEU  77          2HD1      LEU  77  -3.153  -5.811  -4.752
  592   HD13  LEU  77          3HD1      LEU  77  -2.818  -6.514  -3.167
  593   HD21  LEU  77          3HD2      LEU  77  -2.204  -3.455  -4.259
  594   HD22  LEU  77          1HD2      LEU  77  -0.923  -3.422  -3.047
  595   HD23  LEU  77          2HD2      LEU  77  -2.482  -4.166  -2.672
  596    H    PHE  78           H        PHE  78   2.786  -6.413  -1.374
  597    HA   PHE  78           HA       PHE  78   4.340  -7.494  -3.605
  598    HB2  PHE  78           1HB      PHE  78   5.068  -6.512  -0.881
  599    HB3  PHE  78           2HB      PHE  78   6.099  -7.700  -1.659
  600    HD1  PHE  78           2HD      PHE  78   4.591  -4.338  -2.141
  601    HD2  PHE  78           1HD      PHE  78   7.726  -7.025  -3.175
  602    HE1  PHE  78           2HE      PHE  78   5.746  -2.528  -3.340
  603    HE2  PHE  78           1HE      PHE  78   8.886  -5.216  -4.372
  604    HZ   PHE  78           HZ       PHE  78   7.895  -2.965  -4.456
  605    H    LYS  79           H        LYS  79   5.319  -9.568  -3.377
  606    HA   LYS  79           HA       LYS  79   4.417 -11.235  -1.162
  607    HB2  LYS  79           1HB      LYS  79   2.807 -11.769  -2.815
  608    HB3  LYS  79           2HB      LYS  79   4.016 -11.787  -4.096
  609    HG2  LYS  79           1HG      LYS  79   4.984 -13.815  -3.149
  610    HG3  LYS  79           2HG      LYS  79   3.811 -13.776  -1.834
  611    HD2  LYS  79           1HD      LYS  79   3.106 -14.014  -4.757
  612    HD3  LYS  79           2HD      LYS  79   3.229 -15.374  -3.642
  613    HE2  LYS  79           1HE      LYS  79   1.480 -14.300  -2.238
  614    HE3  LYS  79           2HE      LYS  79   1.303 -13.062  -3.479
  615    HZ1  LYS  79           3HZ      LYS  79   0.898 -15.964  -3.930
  616    HZ2  LYS  79           1HZ      LYS  79   0.612 -14.725  -5.042
  617    HZ3  LYS  79           2HZ      LYS  79  -0.347 -14.855  -3.656
  618    H    ASN  80           H        ASN  80   6.190 -11.986  -0.276
  619    HA   ASN  80           HA       ASN  80   8.353 -12.505   0.115
  620    HB2  ASN  80           1HB      ASN  80   9.222 -14.432  -1.033
  621    HB3  ASN  80           2HB      ASN  80   7.498 -14.644  -0.792
  622   HD21  ASN  80          1HD2      ASN  80   6.189 -14.879  -2.534
  623   HD22  ASN  80          2HD2      ASN  80   6.765 -14.962  -4.161
  624    H    GLY  81           H        GLY  81   8.085 -10.079  -1.374
  625    HA2  GLY  81           1HA      GLY  81   9.537  -8.535  -2.281
  626    HA3  GLY  81           2HA      GLY  81  10.803  -9.748  -2.185
  627    H    LYS  82           H        LYS  82   8.097 -10.884  -3.859
  628    HA   LYS  82           HA       LYS  82   9.484 -10.481  -6.409
  629    HB2  LYS  82           1HB      LYS  82   9.377 -12.760  -6.186
  630    HB3  LYS  82           2HB      LYS  82   7.983 -12.695  -5.124
  631    HG2  LYS  82           1HG      LYS  82   7.296 -13.799  -7.072
  632    HG3  LYS  82           2HG      LYS  82   6.612 -12.173  -7.130
  633    HD2  LYS  82           1HD      LYS  82   8.439 -11.480  -8.633
  634    HD3  LYS  82           2HD      LYS  82   9.077 -13.124  -8.597
  635    HE2  LYS  82           1HE      LYS  82   6.371 -12.290  -9.628
  636    HE3  LYS  82           2HE      LYS  82   7.764 -12.728 -10.614
  637    HZ1  LYS  82           3HZ      LYS  82   6.229 -14.564 -10.415
  638    HZ2  LYS  82           1HZ      LYS  82   6.339 -14.524  -8.730
  639    HZ3  LYS  82           2HZ      LYS  82   7.688 -14.947  -9.653
  640    H    GLU  83           H        GLU  83   7.114  -9.279  -4.585
  641    HA   GLU  83           HA       GLU  83   5.396  -7.860  -4.907
  642    HB2  GLU  83           1HB      GLU  83   6.022  -8.135  -7.843
  643    HB3  GLU  83           2HB      GLU  83   4.884  -6.984  -7.161
  644    HG2  GLU  83           1HG      GLU  83   6.664  -5.852  -5.999
  645    HG3  GLU  83           2HG      GLU  83   7.827  -7.058  -6.551
  646    H    VAL  84           H        VAL  84   3.236  -7.719  -6.217
  647    HA   VAL  84           HA       VAL  84   2.379 -10.219  -7.357
  648    HB   VAL  84           HB       VAL  84   1.902 -10.150  -4.793
  649   HG11  VAL  84          1HG1      VAL  84  -0.356  -8.476  -5.854
  650   HG12  VAL  84          2HG1      VAL  84   0.849  -8.008  -4.656
  651   HG13  VAL  84          3HG1      VAL  84  -0.342  -9.253  -4.273
  652   HG21  VAL  84          3HG2      VAL  84  -0.133 -11.479  -5.140
  653   HG22  VAL  84          1HG2      VAL  84   1.170 -11.919  -6.245
  654   HG23  VAL  84          2HG2      VAL  84  -0.174 -10.931  -6.817
  655    H    ALA  85           H        ALA  85   1.899  -6.857  -6.583
  656    HA   ALA  85           HA       ALA  85   0.810  -6.376  -9.219
  657    HB1  ALA  85           1HB      ALA  85  -0.837  -5.873  -6.760
  658    HB2  ALA  85           2HB      ALA  85  -1.285  -6.793  -8.200
  659    HB3  ALA  85           3HB      ALA  85  -1.108  -5.035  -8.286
  660    H    LYS  86           H        LYS  86   0.607  -4.054  -9.664
  661    HA   LYS  86           HA       LYS  86   2.058  -2.362  -7.804
  662    HB2  LYS  86           1HB      LYS  86   3.668  -3.471  -9.442
  663    HB3  LYS  86           2HB      LYS  86   2.882  -2.544 -10.707
  664    HG2  LYS  86           1HG      LYS  86   4.126  -1.224  -8.326
  665    HG3  LYS  86           2HG      LYS  86   5.067  -1.651  -9.751
  666    HD2  LYS  86           1HD      LYS  86   3.636  -0.244 -11.125
  667    HD3  LYS  86           2HD      LYS  86   2.636   0.137  -9.721
  668    HE2  LYS  86           1HE      LYS  86   4.134   1.967 -10.083
  669    HE3  LYS  86           2HE      LYS  86   4.654   1.111  -8.635
  670    HZ1  LYS  86           3HZ      LYS  86   6.531   1.672 -10.014
  671    HZ2  LYS  86           1HZ      LYS  86   5.858   0.858 -11.334
  672    HZ3  LYS  86           2HZ      LYS  86   6.350  -0.007  -9.966
  673    H    VAL  87           H        VAL  87   0.808  -0.626  -7.521
  674    HA   VAL  87           HA       VAL  87  -0.334   0.673  -9.908
  675    HB   VAL  87           HB       VAL  87  -1.803   0.651  -7.263
  676   HG11  VAL  87          1HG1      VAL  87  -2.635   1.374 -10.074
  677   HG12  VAL  87          2HG1      VAL  87  -2.300   2.499  -8.754
  678   HG13  VAL  87          3HG1      VAL  87  -3.684   1.407  -8.658
  679   HG21  VAL  87          3HG2      VAL  87  -2.453  -1.110  -9.629
  680   HG22  VAL  87          1HG2      VAL  87  -3.328  -1.019  -8.096
  681   HG23  VAL  87          2HG2      VAL  87  -1.685  -1.670  -8.144
  682    H    VAL  88           H        VAL  88  -0.369   2.896  -9.852
  683    HA   VAL  88           HA       VAL  88   0.757   4.267  -7.571
  684    HB   VAL  88           HB       VAL  88   2.760   3.446  -8.518
  685   HG11  VAL  88          1HG1      VAL  88   1.849   4.468 -11.199
  686   HG12  VAL  88          2HG1      VAL  88   1.817   2.778 -10.680
  687   HG13  VAL  88          3HG1      VAL  88   3.363   3.629 -10.853
  688   HG21  VAL  88          3HG2      VAL  88   3.933   5.481  -9.226
  689   HG22  VAL  88          1HG2      VAL  88   2.874   5.779  -7.844
  690   HG23  VAL  88          2HG2      VAL  88   2.381   6.287  -9.462
  691    H    GLY  89           H        GLY  89  -1.184   5.451  -7.630
  692    HA2  GLY  89           1HA      GLY  89  -1.046   7.963  -8.599
  693    HA3  GLY  89           2HA      GLY  89  -1.757   7.092  -9.948
  694    H    ALA  90           H        ALA  90  -2.206   7.032  -6.412
  695    HA   ALA  90           HA       ALA  90  -4.058   7.135  -5.104
  696    HB1  ALA  90           1HB      ALA  90  -5.075   8.946  -7.288
  697    HB2  ALA  90           2HB      ALA  90  -4.077   9.440  -5.920
  698    HB3  ALA  90           3HB      ALA  90  -5.713   8.840  -5.648
  699    H    ASN  91           H        ASN  91  -4.650   4.965  -5.274
  700    HA   ASN  91           HA       ASN  91  -6.854   4.466  -7.142
  701    HB2  ASN  91           1HB      ASN  91  -6.059   2.113  -7.317
  702    HB3  ASN  91           2HB      ASN  91  -4.956   3.292  -8.009
  703   HD21  ASN  91          1HD2      ASN  91  -4.725   0.516  -6.774
  704   HD22  ASN  91          2HD2      ASN  91  -3.399   0.669  -5.681
  705    HA   PRO  92           HA       PRO  92  -8.716   2.888  -3.308
  706    HB2  PRO  92           1HB      PRO  92 -11.106   4.293  -3.995
  707    HB3  PRO  92           2HB      PRO  92 -10.033   4.607  -2.634
  708    HG2  PRO  92           1HG      PRO  92 -10.436   6.286  -4.821
  709    HG3  PRO  92           2HG      PRO  92  -9.104   6.395  -3.659
  710    HD2  PRO  92           1HD      PRO  92  -9.143   5.273  -6.414
  711    HD3  PRO  92           2HD      PRO  92  -7.812   6.041  -5.524
  712    H    ALA  93           H        ALA  93  -9.708   3.473  -6.626
  713    HA   ALA  93           HA       ALA  93 -11.577   1.250  -6.636
  714    HB1  ALA  93           1HB      ALA  93 -12.112   1.929  -8.889
  715    HB2  ALA  93           2HB      ALA  93 -10.758   3.056  -8.904
  716    HB3  ALA  93           3HB      ALA  93 -12.125   3.336  -7.827
  717    H    ALA  94           H        ALA  94  -8.557   2.160  -8.293
  718    HA   ALA  94           HA       ALA  94  -8.310  -0.367  -9.600
  719    HB1  ALA  94           1HB      ALA  94  -6.122   0.381 -10.311
  720    HB2  ALA  94           2HB      ALA  94  -6.189   1.733  -9.181
  721    HB3  ALA  94           3HB      ALA  94  -7.312   1.663 -10.537
  722    H    ILE  95           H        ILE  95  -7.458   0.742  -6.419
  723    HA   ILE  95           HA       ILE  95  -5.527  -1.231  -5.858
  724    HB   ILE  95           HB       ILE  95  -6.208   0.595  -4.223
  725   HG12  ILE  95          1HG1      ILE  95  -5.601  -0.700  -2.303
  726   HG13  ILE  95          2HG1      ILE  95  -6.269  -2.172  -2.999
  727   HG21  ILE  95          1HG2      ILE  95  -8.423  -1.338  -3.564
  728   HG22  ILE  95          2HG2      ILE  95  -8.628   0.252  -4.316
  729   HG23  ILE  95          3HG2      ILE  95  -8.015   0.132  -2.667
  730   HD11  ILE  95          3HD1      ILE  95  -3.885  -0.707  -4.102
  731   HD12  ILE  95          1HD1      ILE  95  -4.483  -2.292  -4.582
  732   HD13  ILE  95          2HD1      ILE  95  -3.790  -2.060  -2.977
  733    H    LYS  96           H        LYS  96  -8.998  -1.209  -6.007
  734    HA   LYS  96           HA       LYS  96  -9.499  -3.695  -4.895
  735    HB2  LYS  96           1HB      LYS  96 -11.129  -1.817  -5.475
  736    HB3  LYS  96           2HB      LYS  96 -11.121  -2.472  -7.108
  737    HG2  LYS  96           1HG      LYS  96 -13.009  -3.321  -5.874
  738    HG3  LYS  96           2HG      LYS  96 -11.862  -4.611  -6.235
  739    HD2  LYS  96           1HD      LYS  96 -10.975  -4.548  -4.002
  740    HD3  LYS  96           2HD      LYS  96 -11.958  -3.128  -3.623
  741    HE2  LYS  96           1HE      LYS  96 -12.922  -5.174  -2.681
  742    HE3  LYS  96           2HE      LYS  96 -13.992  -4.419  -3.860
  743    HZ1  LYS  96           3HZ      LYS  96 -13.199  -6.031  -5.507
  744    HZ2  LYS  96           1HZ      LYS  96 -13.940  -6.784  -4.188
  745    HZ3  LYS  96           2HZ      LYS  96 -12.256  -6.780  -4.321
  746    H    GLN  97           H        GLN  97  -8.527  -2.726  -8.103
  747    HA   GLN  97           HA       GLN  97  -8.785  -5.169  -9.438
  748    HB2  GLN  97           1HB      GLN  97  -8.287  -3.127 -10.635
  749    HB3  GLN  97           2HB      GLN  97  -6.779  -2.919  -9.762
  750    HG2  GLN  97           1HG      GLN  97  -7.056  -5.427 -11.298
  751    HG3  GLN  97           2HG      GLN  97  -6.961  -3.942 -12.240
  752   HE21  GLN  97          1HE2      GLN  97  -5.249  -6.157 -10.208
  753   HE22  GLN  97          2HE2      GLN  97  -3.683  -5.441 -10.388
  754    H    ALA  98           H        ALA  98  -5.987  -3.826  -7.676
  755    HA   ALA  98           HA       ALA  98  -4.485  -6.257  -7.891
  756    HB1  ALA  98           1HB      ALA  98  -4.001  -3.902  -6.060
  757    HB2  ALA  98           2HB      ALA  98  -3.429  -4.015  -7.721
  758    HB3  ALA  98           3HB      ALA  98  -2.819  -5.137  -6.504
  759    H    ILE  99           H        ILE  99  -6.623  -4.916  -5.604
  760    HA   ILE  99           HA       ILE  99  -5.765  -6.416  -3.350
  761    HB   ILE  99           HB       ILE  99  -7.163  -4.112  -3.709
  762   HG12  ILE  99          1HG1      ILE  99  -5.885  -5.093  -1.702
  763   HG13  ILE  99          2HG1      ILE  99  -7.189  -3.947  -1.378
  764   HG21  ILE  99          1HG2      ILE  99  -9.227  -5.922  -2.565
  765   HG22  ILE  99          2HG2      ILE  99  -9.198  -5.463  -4.266
  766   HG23  ILE  99          3HG2      ILE  99  -9.364  -4.217  -3.019
  767   HD11  ILE  99          3HD1      ILE  99  -7.035  -6.160  -0.027
  768   HD12  ILE  99          1HD1      ILE  99  -7.756  -6.867  -1.482
  769   HD13  ILE  99          2HD1      ILE  99  -8.603  -5.583  -0.605
  770    H    ALA 100           H        ALA 100  -8.317  -6.746  -5.708
  771    HA   ALA 100           HA       ALA 100  -9.513  -8.948  -4.263
  772    HB1  ALA 100           1HB      ALA 100 -10.948  -7.343  -5.453
  773    HB2  ALA 100           2HB      ALA 100 -11.180  -8.993  -6.030
  774    HB3  ALA 100           3HB      ALA 100 -10.232  -7.850  -6.982
  775    H    ALA 101           H        ALA 101  -7.733  -8.401  -7.263
  776    HA   ALA 101           HA       ALA 101  -7.929 -11.067  -8.193
  777    HB1  ALA 101           1HB      ALA 101  -6.286 -10.425  -9.853
  778    HB2  ALA 101           2HB      ALA 101  -5.912  -8.960  -8.945
  779    HB3  ALA 101           3HB      ALA 101  -7.504  -9.162  -9.676
  780    H    ASN 102           H        ASN 102  -5.513  -9.353  -6.247
  781    HA   ASN 102           HA       ASN 102  -3.833 -11.768  -6.356
  782    HB2  ASN 102           1HB      ASN 102  -3.157  -9.054  -5.222
  783    HB3  ASN 102           2HB      ASN 102  -2.047 -10.410  -5.404
  784   HD21  ASN 102          1HD2      ASN 102  -3.612  -7.801  -6.920
  785   HD22  ASN 102          2HD2      ASN 102  -2.900  -7.977  -8.492
  786    H    ALA 103           H        ALA 103  -4.693  -9.440  -3.790
  787    HA   ALA 103           HA       ALA 103  -4.308 -11.208  -1.646
  788    HB1  ALA 103           1HB      ALA 103  -6.207  -8.864  -1.762
  789    HB2  ALA 103           2HB      ALA 103  -4.487  -8.756  -1.398
  790    HB3  ALA 103           3HB      ALA 103  -5.569  -9.620  -0.304
  Start of MODEL   13
    1    H1   MET   1           1H       MET   1  -7.526  -2.439  12.093
    2    H2   MET   1           2H       MET   1  -8.374  -2.493  10.632
    3    H3   MET   1           3H       MET   1  -9.031  -1.684  11.959
    4    HA   MET   1           HA       MET   1  -8.121  -0.150  10.313
    5    HB2  MET   1           1HB      MET   1  -7.926  -0.029  13.020
    6    HB3  MET   1           2HB      MET   1  -6.231   0.106  12.580
    7    HG2  MET   1           1HG      MET   1  -8.453   1.896  11.621
    8    HG3  MET   1           2HG      MET   1  -7.272   2.287  12.867
    9    HE1  MET   1           3HE      MET   1  -7.863   4.174  10.396
   10    HE2  MET   1           1HE      MET   1  -6.226   4.636   9.928
   11    HE3  MET   1           2HE      MET   1  -6.662   4.541  11.633
   12    H    VAL   2           H        VAL   2  -6.412   0.436   8.991
   13    HA   VAL   2           HA       VAL   2  -4.448  -1.636   8.556
   14    HB   VAL   2           HB       VAL   2  -4.662  -1.010   6.427
   15   HG11  VAL   2          1HG1      VAL   2  -6.073   0.798   5.682
   16   HG12  VAL   2          2HG1      VAL   2  -6.088   1.485   7.310
   17   HG13  VAL   2          3HG1      VAL   2  -6.838  -0.084   7.006
   18   HG21  VAL   2          3HG2      VAL   2  -3.638   1.725   7.121
   19   HG22  VAL   2          1HG2      VAL   2  -3.517   0.882   5.577
   20   HG23  VAL   2          2HG2      VAL   2  -2.610   0.302   6.972
   21    H    THR   3           H        THR   3  -2.385  -1.615   9.025
   22    HA   THR   3           HA       THR   3  -1.446   0.197  11.012
   23    HB   THR   3           HB       THR   3  -0.645  -2.364   9.876
   24    HG1  THR   3           1HG      THR   3   0.008  -2.675  12.042
   25   HG21  THR   3          3HG2      THR   3   1.734  -2.226  10.370
   26   HG22  THR   3          1HG2      THR   3   1.572  -0.510  10.756
   27   HG23  THR   3          2HG2      THR   3   1.300  -1.070   9.100
   28    H    GLN   4           H        GLN   4   0.242   1.613  10.941
   29    HA   GLN   4           HA       GLN   4   1.205   2.386   8.274
   30    HB2  GLN   4           1HB      GLN   4   1.733   4.602   9.618
   31    HB3  GLN   4           2HB      GLN   4   0.143   4.310   8.931
   32    HG2  GLN   4           1HG      GLN   4  -0.742   4.614  10.929
   33    HG3  GLN   4           2HG      GLN   4   0.108   3.185  11.506
   34   HE21  GLN   4          1HE2      GLN   4   2.749   4.322  11.230
   35   HE22  GLN   4          2HE2      GLN   4   2.914   5.502  12.484
   36    H    PHE   5           H        PHE   5   3.220   1.702   7.947
   37    HA   PHE   5           HA       PHE   5   4.974   0.940  10.052
   38    HB2  PHE   5           1HB      PHE   5   5.564   1.487   7.137
   39    HB3  PHE   5           2HB      PHE   5   6.738   0.851   8.275
   40    HD1  PHE   5           1HD      PHE   5   4.704  -0.972   9.728
   41    HD2  PHE   5           2HD      PHE   5   5.660  -0.337   5.636
   42    HE1  PHE   5           1HE      PHE   5   3.984  -3.266   9.206
   43    HE2  PHE   5           2HE      PHE   5   4.946  -2.631   5.096
   44    HZ   PHE   5           HZ       PHE   5   4.104  -4.096   6.892
   45    H    LYS   6           H        LYS   6   7.164   1.884  10.320
   46    HA   LYS   6           HA       LYS   6   7.092   4.805  10.098
   47    HB2  LYS   6           1HB      LYS   6   8.134   4.869  12.392
   48    HB3  LYS   6           2HB      LYS   6   6.449   4.373  12.339
   49    HG2  LYS   6           1HG      LYS   6   7.279   1.989  12.395
   50    HG3  LYS   6           2HG      LYS   6   8.873   2.651  12.762
   51    HD2  LYS   6           1HD      LYS   6   7.712   1.997  14.804
   52    HD3  LYS   6           2HD      LYS   6   7.955   3.745  14.756
   53    HE2  LYS   6           1HE      LYS   6   5.671   4.107  14.117
   54    HE3  LYS   6           2HE      LYS   6   5.404   2.377  13.916
   55    HZ1  LYS   6           3HZ      LYS   6   4.482   3.136  15.992
   56    HZ2  LYS   6           1HZ      LYS   6   5.973   3.776  16.471
   57    HZ3  LYS   6           2HZ      LYS   6   5.785   2.106  16.302
   58    H    THR   7           H        THR   7   8.803   1.929   9.652
   59    HA   THR   7           HA       THR   7  11.192   3.467   9.002
   60    HB   THR   7           HB       THR   7  12.643   1.663   9.838
   61    HG1  THR   7           1HG      THR   7  11.830  -0.074  10.772
   62   HG21  THR   7          3HG2      THR   7  12.439   2.188  12.224
   63   HG22  THR   7          1HG2      THR   7  10.842   2.874  11.934
   64   HG23  THR   7          2HG2      THR   7  12.269   3.633  11.230
   65    H    ALA   8           H        ALA   8  12.491   2.641   7.362
   66    HA   ALA   8           HA       ALA   8  11.182   1.322   5.258
   67    HB1  ALA   8           1HB      ALA   8  13.132   2.788   4.940
   68    HB2  ALA   8           2HB      ALA   8  13.386   1.202   4.211
   69    HB3  ALA   8           3HB      ALA   8  14.153   1.598   5.748
   70    H    SER   9           H        SER   9  13.006   0.223   7.988
   71    HA   SER   9           HA       SER   9  13.429  -2.438   7.150
   72    HB2  SER   9           1HB      SER   9  13.623  -2.779   9.719
   73    HB3  SER   9           2HB      SER   9  14.804  -1.751   8.907
   74    HG   SER   9           HG       SER   9  14.154  -0.181  10.117
   75    H    GLU  10           H        GLU  10  10.746  -0.812   8.846
   76    HA   GLU  10           HA       GLU  10   9.345  -3.199   9.516
   77    HB2  GLU  10           1HB      GLU  10   8.301  -0.421   8.944
   78    HB3  GLU  10           2HB      GLU  10   7.294  -1.736   9.525
   79    HG2  GLU  10           1HG      GLU  10   9.597  -0.439  10.952
   80    HG3  GLU  10           2HG      GLU  10   7.886  -0.332  11.361
   81    H    PHE  11           H        PHE  11   9.183  -1.058   6.743
   82    HA   PHE  11           HA       PHE  11   7.228  -2.443   5.271
   83    HB2  PHE  11           1HB      PHE  11   7.546  -0.297   4.550
   84    HB3  PHE  11           2HB      PHE  11   9.293  -0.361   4.730
   85    HD1  PHE  11           1HD      PHE  11   6.460  -1.111   2.546
   86    HD2  PHE  11           2HD      PHE  11  10.692  -1.095   2.926
   87    HE1  PHE  11           1HE      PHE  11   6.670  -1.386   0.110
   88    HE2  PHE  11           2HE      PHE  11  10.917  -1.378   0.490
   89    HZ   PHE  11           HZ       PHE  11   8.902  -1.520  -0.922
   90    H    ASP  12           H        ASP  12  10.761  -2.608   5.220
   91    HA   ASP  12           HA       ASP  12  11.094  -4.335   3.064
   92    HB2  ASP  12           1HB      ASP  12  12.976  -3.169   4.008
   93    HB3  ASP  12           2HB      ASP  12  12.770  -3.987   5.554
   94    H    SER  13           H        SER  13  10.773  -5.155   6.520
   95    HA   SER  13           HA       SER  13  11.099  -7.934   6.101
   96    HB2  SER  13           1HB      SER  13   9.782  -6.488   8.411
   97    HB3  SER  13           2HB      SER  13  10.296  -8.175   8.417
   98    HG   SER  13           HG       SER  13  12.305  -6.550   7.620
   99    H    ALA  14           H        ALA  14   8.249  -5.858   6.194
  100    HA   ALA  14           HA       ALA  14   6.339  -7.937   6.202
  101    HB1  ALA  14           1HB      ALA  14   6.146  -5.116   5.162
  102    HB2  ALA  14           2HB      ALA  14   5.652  -5.702   6.753
  103    HB3  ALA  14           3HB      ALA  14   4.781  -6.221   5.307
  104    H    ILE  15           H        ILE  15   7.730  -6.037   3.532
  105    HA   ILE  15           HA       ILE  15   6.181  -7.293   1.541
  106    HB   ILE  15           HB       ILE  15   7.670  -6.240  -0.068
  107   HG12  ILE  15          1HG1      ILE  15   9.311  -5.225   2.243
  108   HG13  ILE  15          2HG1      ILE  15   9.746  -6.690   1.376
  109   HG21  ILE  15          1HG2      ILE  15   5.918  -4.909   1.009
  110   HG22  ILE  15          2HG2      ILE  15   7.326  -3.923   0.614
  111   HG23  ILE  15          3HG2      ILE  15   7.052  -4.445   2.277
  112   HD11  ILE  15          3HD1      ILE  15   9.910  -5.403  -0.695
  113   HD12  ILE  15          1HD1      ILE  15  10.987  -4.780   0.554
  114   HD13  ILE  15          2HD1      ILE  15   9.480  -3.941   0.190
  115    H    ALA  16           H        ALA  16   9.026  -8.282   3.211
  116    HA   ALA  16           HA       ALA  16   9.934 -10.093   1.156
  117    HB1  ALA  16           1HB      ALA  16  11.481  -9.043   2.771
  118    HB2  ALA  16           2HB      ALA  16  11.585 -10.804   2.761
  119    HB3  ALA  16           3HB      ALA  16  10.721  -9.981   4.059
  120    H    GLN  17           H        GLN  17   7.428 -10.167   3.337
  121    HA   GLN  17           HA       GLN  17   7.568 -12.932   4.074
  122    HB2  GLN  17           1HB      GLN  17   5.350 -10.893   4.250
  123    HB3  GLN  17           2HB      GLN  17   5.197 -12.540   4.837
  124    HG2  GLN  17           1HG      GLN  17   7.015 -12.170   6.406
  125    HG3  GLN  17           2HG      GLN  17   7.215 -10.527   5.796
  126   HE21  GLN  17          1HE2      GLN  17   4.100 -12.046   6.201
  127   HE22  GLN  17          2HE2      GLN  17   3.572 -11.049   7.514
  128    H    ASP  18           H        ASP  18   6.247 -14.626   3.319
  129    HA   ASP  18           HA       ASP  18   5.953 -14.600   0.479
  130    HB2  ASP  18           1HB      ASP  18   6.768 -16.568   1.742
  131    HB3  ASP  18           2HB      ASP  18   5.176 -16.746   2.466
  132    H    LYS  19           H        LYS  19   4.022 -13.139   2.490
  133    HA   LYS  19           HA       LYS  19   1.526 -14.108   1.266
  134    HB2  LYS  19           1HB      LYS  19   0.326 -13.370   3.094
  135    HB3  LYS  19           2HB      LYS  19   1.660 -14.314   3.723
  136    HG2  LYS  19           1HG      LYS  19   2.837 -12.221   4.278
  137    HG3  LYS  19           2HG      LYS  19   1.432 -11.310   3.708
  138    HD2  LYS  19           1HD      LYS  19   1.567 -13.235   6.022
  139    HD3  LYS  19           2HD      LYS  19   1.225 -11.505   6.076
  140    HE2  LYS  19           1HE      LYS  19  -0.509 -13.434   4.558
  141    HE3  LYS  19           2HE      LYS  19  -0.762 -13.104   6.277
  142    HZ1  LYS  19           3HZ      LYS  19  -1.084 -10.779   5.757
  143    HZ2  LYS  19           1HZ      LYS  19  -2.166 -11.732   4.861
  144    HZ3  LYS  19           2HZ      LYS  19  -0.797 -11.072   4.113
  145    H    LEU  20           H        LEU  20  -0.170 -12.242   1.439
  146    HA   LEU  20           HA       LEU  20   0.758 -10.283  -0.453
  147    HB2  LEU  20           1HB      LEU  20  -1.558 -11.423  -0.334
  148    HB3  LEU  20           2HB      LEU  20  -1.914 -10.266   0.923
  149    HG   LEU  20           HG       LEU  20  -2.856  -9.535  -1.179
  150   HD11  LEU  20          1HD1      LEU  20  -1.948  -7.303  -1.342
  151   HD12  LEU  20          2HD1      LEU  20  -0.500  -7.805  -0.471
  152   HD13  LEU  20          3HD1      LEU  20  -2.064  -7.804   0.344
  153   HD21  LEU  20          3HD2      LEU  20  -1.369 -10.658  -2.726
  154   HD22  LEU  20          1HD2      LEU  20  -0.050  -9.585  -2.261
  155   HD23  LEU  20          2HD2      LEU  20  -1.461  -8.936  -3.097
  156    H    VAL  21           H        VAL  21   2.080  -8.718   0.361
  157    HA   VAL  21           HA       VAL  21   0.899  -7.189   2.620
  158    HB   VAL  21           HB       VAL  21   3.772  -7.241   1.667
  159   HG11  VAL  21          1HG1      VAL  21   4.259  -5.573   3.374
  160   HG12  VAL  21          2HG1      VAL  21   2.552  -5.505   3.819
  161   HG13  VAL  21          3HG1      VAL  21   3.068  -4.938   2.231
  162   HG21  VAL  21          3HG2      VAL  21   4.203  -8.045   3.939
  163   HG22  VAL  21          1HG2      VAL  21   3.088  -9.112   3.085
  164   HG23  VAL  21          2HG2      VAL  21   2.476  -7.982   4.294
  165    H    VAL  22           H        VAL  22  -0.411  -5.659   1.810
  166    HA   VAL  22           HA       VAL  22   0.526  -4.119  -0.459
  167    HB   VAL  22           HB       VAL  22  -1.620  -4.386  -0.996
  168   HG11  VAL  22          1HG1      VAL  22  -2.174  -5.878   0.766
  169   HG12  VAL  22          2HG1      VAL  22  -3.478  -4.710   0.566
  170   HG13  VAL  22          3HG1      VAL  22  -2.341  -4.545   1.908
  171   HG21  VAL  22          3HG2      VAL  22  -1.468  -1.995  -0.747
  172   HG22  VAL  22          1HG2      VAL  22  -1.925  -2.114   0.952
  173   HG23  VAL  22          2HG2      VAL  22  -3.088  -2.538  -0.305
  174    H    VAL  23           H        VAL  23   1.885  -2.617  -0.048
  175    HA   VAL  23           HA       VAL  23   1.596  -0.908   2.323
  176    HB   VAL  23           HB       VAL  23   3.893  -1.227   0.371
  177   HG11  VAL  23          1HG1      VAL  23   5.180   0.200   1.810
  178   HG12  VAL  23          2HG1      VAL  23   3.835   0.343   2.939
  179   HG13  VAL  23          3HG1      VAL  23   3.714   1.056   1.330
  180   HG21  VAL  23          3HG2      VAL  23   5.046  -2.302   2.235
  181   HG22  VAL  23          1HG2      VAL  23   3.561  -3.156   1.831
  182   HG23  VAL  23          2HG2      VAL  23   3.614  -2.104   3.244
  183    H    ALA  24           H        ALA  24   1.377   1.314   2.144
  184    HA   ALA  24           HA       ALA  24   0.924   2.448  -0.546
  185    HB1  ALA  24           1HB      ALA  24  -0.896   3.793   0.509
  186    HB2  ALA  24           2HB      ALA  24  -0.755   2.742   1.914
  187    HB3  ALA  24           3HB      ALA  24  -1.228   2.071   0.359
  188    H    PHE  25           H        PHE  25   1.735   4.335  -0.983
  189    HA   PHE  25           HA       PHE  25   3.253   5.707   1.118
  190    HB2  PHE  25           1HB      PHE  25   3.340   5.881  -1.894
  191    HB3  PHE  25           2HB      PHE  25   4.305   6.904  -0.830
  192    HD1  PHE  25           2HD      PHE  25   5.363   5.191   1.164
  193    HD2  PHE  25           1HD      PHE  25   4.650   4.334  -2.942
  194    HE1  PHE  25           2HE      PHE  25   7.088   3.438   1.230
  195    HE2  PHE  25           1HE      PHE  25   6.371   2.580  -2.881
  196    HZ   PHE  25           HZ       PHE  25   7.589   2.129  -0.796
  197    H    TYR  26           H        TYR  26   2.027   7.152   2.140
  198    HA   TYR  26           HA       TYR  26   0.181   8.809   0.556
  199    HB2  TYR  26           1HB      TYR  26  -0.379   7.143   2.971
  200    HB3  TYR  26           2HB      TYR  26  -1.261   8.655   2.763
  201    HD1  TYR  26           2HD      TYR  26  -0.227   5.805   0.578
  202    HD2  TYR  26           1HD      TYR  26  -3.333   8.415   1.820
  203    HE1  TYR  26           2HE      TYR  26  -1.754   4.737  -1.016
  204    HE2  TYR  26           1HE      TYR  26  -4.870   7.354   0.233
  205    HH   TYR  26           HH       TYR  26  -4.114   4.453  -1.417
  206    H    ALA  27           H        ALA  27  -0.771  10.573   2.139
  207    HA   ALA  27           HA       ALA  27   1.184  11.612   4.000
  208    HB1  ALA  27           1HB      ALA  27   0.531  13.107   1.460
  209    HB2  ALA  27           2HB      ALA  27   2.080  12.361   1.852
  210    HB3  ALA  27           3HB      ALA  27   1.492  13.724   2.805
  211    H    THR  28           H        THR  28   0.245  12.948   5.490
  212    HA   THR  28           HA       THR  28  -2.607  12.948   5.598
  213    HB   THR  28           HB       THR  28  -2.217  14.376   7.671
  214    HG1  THR  28           1HG      THR  28   0.380  13.670   7.925
  215   HG21  THR  28          3HG2      THR  28  -0.829  11.701   7.467
  216   HG22  THR  28          1HG2      THR  28  -2.545  11.961   7.784
  217   HG23  THR  28          2HG2      THR  28  -1.342  12.479   8.965
  218    H    TRP  29           H        TRP  29  -0.484  14.902   3.987
  219    HA   TRP  29           HA       TRP  29  -2.239  17.241   4.139
  220    HB2  TRP  29           1HB      TRP  29  -0.252  18.323   2.857
  221    HB3  TRP  29           2HB      TRP  29  -0.107  18.031   4.585
  222    HD1  TRP  29           HD       TRP  29   1.542  16.088   5.369
  223    HE1  TRP  29           1HE      TRP  29   3.560  14.989   4.215
  224    HE3  TRP  29           3HE      TRP  29   0.627  17.567   0.563
  225    HZ2  TRP  29           2HZ      TRP  29   4.619  14.769   1.609
  226    HZ3  TRP  29           3HZ      TRP  29   2.191  16.865  -1.202
  227    HH2  TRP  29           HH       TRP  29   4.145  15.497  -0.688
  228    H    CYS  30           H        CYS  30  -2.533  14.661   2.517
  229    HA   CYS  30           HA       CYS  30  -2.926  16.035  -0.050
  230    HB2  CYS  30           1HB      CYS  30  -1.734  14.504  -1.122
  231    HB3  CYS  30           2HB      CYS  30  -1.307  13.771   0.423
  232    H    GLY  31           H        GLY  31  -4.836  15.971  -0.944
  233    HA2  GLY  31           1HA      GLY  31  -7.100  15.216   0.571
  234    HA3  GLY  31           2HA      GLY  31  -7.107  15.814  -1.075
  235    HA   PRO  32           HA       PRO  32  -7.725  11.711  -2.708
  236    HB2  PRO  32           1HB      PRO  32  -4.955  10.856  -3.261
  237    HB3  PRO  32           2HB      PRO  32  -6.299  11.089  -4.384
  238    HG2  PRO  32           1HG      PRO  32  -4.240  12.781  -4.346
  239    HG3  PRO  32           2HG      PRO  32  -5.898  13.362  -4.598
  240    HD2  PRO  32           1HD      PRO  32  -4.261  13.358  -2.082
  241    HD3  PRO  32           2HD      PRO  32  -5.221  14.673  -2.762
  242    H    CYS  33           H        CYS  33  -4.917  11.823  -0.625
  243    HA   CYS  33           HA       CYS  33  -4.874   9.240   0.414
  244    HB2  CYS  33           1HB      CYS  33  -4.380  11.820   1.917
  245    HB3  CYS  33           2HB      CYS  33  -3.825  10.223   2.400
  246    H    LYS  34           H        LYS  34  -6.886  11.991   1.273
  247    HA   LYS  34           HA       LYS  34  -8.079  10.851   3.537
  248    HB2  LYS  34           1HB      LYS  34  -8.180  13.237   3.096
  249    HB3  LYS  34           2HB      LYS  34  -9.124  12.957   1.643
  250    HG2  LYS  34           1HG      LYS  34 -10.605  13.717   3.330
  251    HG3  LYS  34           2HG      LYS  34 -10.927  12.005   3.081
  252    HD2  LYS  34           1HD      LYS  34  -9.003  12.786   5.218
  253    HD3  LYS  34           2HD      LYS  34 -10.720  13.051   5.506
  254    HE2  LYS  34           1HE      LYS  34 -11.140  10.671   5.005
  255    HE3  LYS  34           2HE      LYS  34  -9.409  10.427   4.798
  256    HZ1  LYS  34           3HZ      LYS  34  -9.057  11.017   7.087
  257    HZ2  LYS  34           1HZ      LYS  34 -10.199   9.775   7.004
  258    HZ3  LYS  34           2HZ      LYS  34 -10.696  11.362   7.301
  259    H    MET  35           H        MET  35  -9.335  11.089   0.176
  260    HA   MET  35           HA       MET  35 -11.788   9.868   0.711
  261    HB2  MET  35           1HB      MET  35 -11.970   9.449  -1.695
  262    HB3  MET  35           2HB      MET  35 -11.420  11.078  -1.343
  263    HG2  MET  35           1HG      MET  35  -9.108  10.337  -1.811
  264    HG3  MET  35           2HG      MET  35  -9.751   8.765  -2.270
  265    HE1  MET  35           3HE      MET  35 -12.444   9.552  -3.796
  266    HE2  MET  35           1HE      MET  35 -11.295   8.352  -4.388
  267    HE3  MET  35           2HE      MET  35 -11.857   9.637  -5.457
  268    H    ILE  36           H        ILE  36  -8.801   8.261  -0.422
  269    HA   ILE  36           HA       ILE  36 -10.137   5.735  -0.505
  270    HB   ILE  36           HB       ILE  36  -8.429   5.528  -1.969
  271   HG12  ILE  36          1HG1      ILE  36  -8.050   3.898   0.002
  272   HG13  ILE  36          2HG1      ILE  36  -6.798   4.055  -1.213
  273   HG21  ILE  36          1HG2      ILE  36  -7.555   7.720  -1.766
  274   HG22  ILE  36          2HG2      ILE  36  -6.203   6.586  -1.731
  275   HG23  ILE  36          3HG2      ILE  36  -6.776   7.327  -0.235
  276   HD11  ILE  36          3HD1      ILE  36  -6.012   3.958   1.168
  277   HD12  ILE  36          1HD1      ILE  36  -6.754   5.543   1.403
  278   HD13  ILE  36          2HD1      ILE  36  -5.436   5.345   0.245
  279    H    ALA  37           H        ALA  37  -8.599   7.602   1.913
  280    HA   ALA  37           HA       ALA  37  -7.507   5.608   3.485
  281    HB1  ALA  37           1HB      ALA  37  -7.096   8.020   3.750
  282    HB2  ALA  37           2HB      ALA  37  -7.444   7.187   5.275
  283    HB3  ALA  37           3HB      ALA  37  -8.685   8.178   4.511
  284    HA   PRO  38           HA       PRO  38 -11.682   4.835   5.662
  285    HB2  PRO  38           1HB      PRO  38 -13.772   6.025   4.001
  286    HB3  PRO  38           2HB      PRO  38 -13.520   6.158   5.744
  287    HG2  PRO  38           1HG      PRO  38 -13.125   8.232   4.062
  288    HG3  PRO  38           2HG      PRO  38 -12.174   8.006   5.542
  289    HD2  PRO  38           1HD      PRO  38 -11.452   7.347   2.711
  290    HD3  PRO  38           2HD      PRO  38 -10.468   8.108   3.974
  291    H    MET  39           H        MET  39 -11.604   5.171   2.116
  292    HA   MET  39           HA       MET  39 -13.304   2.948   1.642
  293    HB2  MET  39           1HB      MET  39 -11.242   4.236  -0.116
  294    HB3  MET  39           2HB      MET  39 -12.288   2.936  -0.659
  295    HG2  MET  39           1HG      MET  39 -13.152   5.652   0.304
  296    HG3  MET  39           2HG      MET  39 -13.172   5.065  -1.359
  297    HE1  MET  39           3HE      MET  39 -16.981   5.303  -0.393
  298    HE2  MET  39           1HE      MET  39 -15.739   5.821  -1.533
  299    HE3  MET  39           2HE      MET  39 -15.685   6.373   0.141
  300    H    ILE  40           H        ILE  40  -9.676   2.985   1.276
  301    HA   ILE  40           HA       ILE  40  -9.635   0.178   1.073
  302    HB   ILE  40           HB       ILE  40  -7.455   2.156   1.758
  303   HG12  ILE  40          1HG1      ILE  40  -7.927   0.255  -0.553
  304   HG13  ILE  40          2HG1      ILE  40  -8.357   1.961  -0.557
  305   HG21  ILE  40          1HG2      ILE  40  -7.165  -0.842   1.541
  306   HG22  ILE  40          2HG2      ILE  40  -6.970   0.112   3.010
  307   HG23  ILE  40          3HG2      ILE  40  -5.848   0.325   1.666
  308   HD11  ILE  40          3HD1      ILE  40  -6.330   1.690  -1.744
  309   HD12  ILE  40          1HD1      ILE  40  -5.605   0.780  -0.414
  310   HD13  ILE  40          2HD1      ILE  40  -5.978   2.492  -0.214
  311    H    GLU  41           H        GLU  41  -9.655   2.337   3.843
  312    HA   GLU  41           HA       GLU  41  -9.082   0.618   5.919
  313    HB2  GLU  41           1HB      GLU  41  -9.691   2.991   6.192
  314    HB3  GLU  41           2HB      GLU  41 -11.354   2.608   5.778
  315    HG2  GLU  41           1HG      GLU  41 -11.372   1.079   7.779
  316    HG3  GLU  41           2HG      GLU  41  -9.826   1.802   8.229
  317    H    LYS  42           H        LYS  42 -12.194   0.999   4.206
  318    HA   LYS  42           HA       LYS  42 -13.543  -1.024   5.657
  319    HB2  LYS  42           1HB      LYS  42 -14.732   0.693   4.364
  320    HB3  LYS  42           2HB      LYS  42 -14.059   0.049   2.873
  321    HG2  LYS  42           1HG      LYS  42 -15.241  -2.162   3.853
  322    HG3  LYS  42           2HG      LYS  42 -16.302  -0.916   4.519
  323    HD2  LYS  42           1HD      LYS  42 -16.467   0.042   2.210
  324    HD3  LYS  42           2HD      LYS  42 -15.584  -1.376   1.631
  325    HE2  LYS  42           1HE      LYS  42 -18.236  -1.400   3.069
  326    HE3  LYS  42           2HE      LYS  42 -17.997  -1.649   1.341
  327    HZ1  LYS  42           3HZ      LYS  42 -16.600  -3.604   1.941
  328    HZ2  LYS  42           1HZ      LYS  42 -18.230  -3.760   2.373
  329    HZ3  LYS  42           2HZ      LYS  42 -17.081  -3.399   3.551
  330    H    PHE  43           H        PHE  43 -11.779  -1.015   2.617
  331    HA   PHE  43           HA       PHE  43 -12.219  -3.695   1.989
  332    HB2  PHE  43           1HB      PHE  43  -9.986  -1.847   1.180
  333    HB3  PHE  43           2HB      PHE  43 -10.164  -3.491   0.575
  334    HD1  PHE  43           1HD      PHE  43 -13.304  -2.128   1.233
  335    HD2  PHE  43           2HD      PHE  43 -10.172  -2.083  -1.659
  336    HE1  PHE  43           1HE      PHE  43 -14.888  -1.306  -0.474
  337    HE2  PHE  43           2HE      PHE  43 -11.749  -1.253  -3.355
  338    HZ   PHE  43           HZ       PHE  43 -14.107  -0.868  -2.768
  339    H    SER  44           H        SER  44 -10.136  -2.177   4.273
  340    HA   SER  44           HA       SER  44  -8.277  -4.354   4.495
  341    HB2  SER  44           1HB      SER  44  -8.741  -2.283   6.650
  342    HB3  SER  44           2HB      SER  44  -7.279  -3.166   6.268
  343    HG   SER  44           HG       SER  44  -8.288  -1.565   4.244
  344    H    GLU  45           H        GLU  45 -11.351  -3.474   5.680
  345    HA   GLU  45           HA       GLU  45 -11.365  -5.358   7.875
  346    HB2  GLU  45           1HB      GLU  45 -13.701  -4.015   6.496
  347    HB3  GLU  45           2HB      GLU  45 -13.738  -4.828   8.053
  348    HG2  GLU  45           1HG      GLU  45 -12.210  -3.140   8.955
  349    HG3  GLU  45           2HG      GLU  45 -12.216  -2.316   7.397
  350    H    GLN  46           H        GLN  46 -11.843  -5.358   4.492
  351    HA   GLN  46           HA       GLN  46 -12.946  -8.062   4.637
  352    HB2  GLN  46           1HB      GLN  46 -13.758  -7.687   2.324
  353    HB3  GLN  46           2HB      GLN  46 -14.484  -6.645   3.533
  354    HG2  GLN  46           1HG      GLN  46 -12.946  -4.859   2.906
  355    HG3  GLN  46           2HG      GLN  46 -12.302  -5.887   1.628
  356   HE21  GLN  46          1HE2      GLN  46 -13.647  -6.423  -0.130
  357   HE22  GLN  46          2HE2      GLN  46 -15.005  -5.436  -0.545
  358    H    TYR  47           H        TYR  47 -10.004  -7.076   4.568
  359    HA   TYR  47           HA       TYR  47  -9.208  -9.082   2.547
  360    HB2  TYR  47           1HB      TYR  47  -7.277  -7.648   4.380
  361    HB3  TYR  47           2HB      TYR  47  -6.904  -8.594   2.946
  362    HD1  TYR  47           1HD      TYR  47  -9.189  -7.177   1.295
  363    HD2  TYR  47           2HD      TYR  47  -5.910  -5.836   3.668
  364    HE1  TYR  47           1HE      TYR  47  -9.068  -5.120  -0.054
  365    HE2  TYR  47           2HE      TYR  47  -5.800  -3.761   2.326
  366    HH   TYR  47           HH       TYR  47  -6.443  -2.969   0.102
  367    HA   PRO  48           HA       PRO  48  -9.463 -11.775   6.188
  368    HB2  PRO  48           1HB      PRO  48  -9.355 -13.917   4.193
  369    HB3  PRO  48           2HB      PRO  48 -10.605 -13.567   5.387
  370    HG2  PRO  48           1HG      PRO  48 -10.994 -13.180   2.746
  371    HG3  PRO  48           2HG      PRO  48 -11.743 -12.146   3.977
  372    HD2  PRO  48           1HD      PRO  48  -9.329 -11.628   2.282
  373    HD3  PRO  48           2HD      PRO  48 -10.649 -10.526   2.731
  374    H    GLN  49           H        GLN  49  -7.435 -12.367   3.313
  375    HA   GLN  49           HA       GLN  49  -5.422 -13.502   5.104
  376    HB2  GLN  49           1HB      GLN  49  -4.555 -14.626   3.024
  377    HB3  GLN  49           2HB      GLN  49  -6.049 -15.215   3.717
  378    HG2  GLN  49           1HG      GLN  49  -6.243 -15.174   1.336
  379    HG3  GLN  49           2HG      GLN  49  -7.312 -13.963   2.036
  380   HE21  GLN  49          1HE2      GLN  49  -4.329 -14.489   0.310
  381   HE22  GLN  49          2HE2      GLN  49  -4.213 -12.895  -0.351
  382    H    ALA  50           H        ALA  50  -5.926 -10.669   3.532
  383    HA   ALA  50           HA       ALA  50  -3.125 -10.405   2.708
  384    HB1  ALA  50           1HB      ALA  50  -3.745  -8.724   1.199
  385    HB2  ALA  50           2HB      ALA  50  -5.315  -8.497   1.957
  386    HB3  ALA  50           3HB      ALA  50  -4.991  -9.961   1.038
  387    H    ASP  51           H        ASP  51  -1.890  -8.755   3.455
  388    HA   ASP  51           HA       ASP  51  -2.880  -7.504   5.901
  389    HB2  ASP  51           1HB      ASP  51  -0.205  -8.343   4.943
  390    HB3  ASP  51           2HB      ASP  51  -0.243  -6.853   5.878
  391    H    PHE  52           H        PHE  52  -3.257  -5.501   6.100
  392    HA   PHE  52           HA       PHE  52  -2.871  -3.775   3.773
  393    HB2  PHE  52           1HB      PHE  52  -4.768  -2.484   5.056
  394    HB3  PHE  52           2HB      PHE  52  -5.143  -3.909   4.094
  395    HD1  PHE  52           1HD      PHE  52  -5.203  -6.189   5.412
  396    HD2  PHE  52           2HD      PHE  52  -5.517  -2.362   7.224
  397    HE1  PHE  52           1HE      PHE  52  -6.336  -7.196   7.346
  398    HE2  PHE  52           2HE      PHE  52  -6.661  -3.347   9.138
  399    HZ   PHE  52           HZ       PHE  52  -7.055  -5.778   9.225
  400    H    TYR  53           H        TYR  53  -1.239  -2.376   3.964
  401    HA   TYR  53           HA       TYR  53  -1.015  -0.932   6.521
  402    HB2  TYR  53           1HB      TYR  53   1.348  -1.610   4.755
  403    HB3  TYR  53           2HB      TYR  53   1.375  -0.909   6.376
  404    HD1  TYR  53           1HD      TYR  53   0.035  -2.462   8.147
  405    HD2  TYR  53           2HD      TYR  53   1.991  -3.824   4.638
  406    HE1  TYR  53           1HE      TYR  53   0.271  -4.687   9.159
  407    HE2  TYR  53           2HE      TYR  53   2.233  -6.063   5.639
  408    HH   TYR  53           HH       TYR  53   0.530  -7.080   8.301
  409    H    LYS  54           H        LYS  54  -0.683   1.250   6.396
  410    HA   LYS  54           HA       LYS  54  -0.420   2.447   3.706
  411    HB2  LYS  54           1HB      LYS  54  -2.580   2.768   5.565
  412    HB3  LYS  54           2HB      LYS  54  -1.715   4.288   5.462
  413    HG2  LYS  54           1HG      LYS  54  -3.169   4.652   3.781
  414    HG3  LYS  54           2HG      LYS  54  -1.965   3.771   2.848
  415    HD2  LYS  54           1HD      LYS  54  -4.114   2.849   2.311
  416    HD3  LYS  54           2HD      LYS  54  -3.267   1.673   3.325
  417    HE2  LYS  54           1HE      LYS  54  -5.578   1.885   4.031
  418    HE3  LYS  54           2HE      LYS  54  -4.501   2.495   5.280
  419    HZ1  LYS  54           3HZ      LYS  54  -5.885   4.227   3.316
  420    HZ2  LYS  54           1HZ      LYS  54  -4.982   4.726   4.654
  421    HZ3  LYS  54           2HZ      LYS  54  -6.451   3.920   4.878
  422    H    LEU  55           H        LEU  55   1.467   3.578   3.582
  423    HA   LEU  55           HA       LEU  55   2.665   4.379   6.143
  424    HB2  LEU  55           1HB      LEU  55   4.038   4.426   3.491
  425    HB3  LEU  55           2HB      LEU  55   4.745   4.468   5.091
  426    HG   LEU  55           HG       LEU  55   3.627   2.154   3.608
  427   HD11  LEU  55          1HD1      LEU  55   6.046   2.553   5.321
  428   HD12  LEU  55          2HD1      LEU  55   6.010   2.739   3.568
  429   HD13  LEU  55          3HD1      LEU  55   5.707   1.160   4.293
  430   HD21  LEU  55          3HD2      LEU  55   3.718   0.840   5.708
  431   HD22  LEU  55          1HD2      LEU  55   2.418   2.033   5.679
  432   HD23  LEU  55          2HD2      LEU  55   3.890   2.356   6.593
  433    H    ASP  56           H        ASP  56   3.773   6.443   6.281
  434    HA   ASP  56           HA       ASP  56   2.550   8.479   4.582
  435    HB2  ASP  56           1HB      ASP  56   3.315  10.092   6.285
  436    HB3  ASP  56           2HB      ASP  56   2.225   8.891   6.949
  437    H    VAL  57           H        VAL  57   3.663   9.125   2.957
  438    HA   VAL  57           HA       VAL  57   6.254   8.246   2.364
  439    HB   VAL  57           HB       VAL  57   4.185   9.156   0.939
  440   HG11  VAL  57          1HG1      VAL  57   6.059  11.512   0.902
  441   HG12  VAL  57          2HG1      VAL  57   4.480  11.487   1.687
  442   HG13  VAL  57          3HG1      VAL  57   4.600  11.305  -0.067
  443   HG21  VAL  57          3HG2      VAL  57   5.682   9.236  -0.999
  444   HG22  VAL  57          1HG2      VAL  57   5.985   7.865   0.065
  445   HG23  VAL  57          2HG2      VAL  57   7.064   9.260   0.099
  446    H    ASP  58           H        ASP  58   5.185  10.832   4.275
  447    HA   ASP  58           HA       ASP  58   7.249  12.716   3.836
  448    HB2  ASP  58           1HB      ASP  58   5.111  13.251   4.940
  449    HB3  ASP  58           2HB      ASP  58   5.572  12.242   6.308
  450    H    GLU  59           H        GLU  59   6.887   9.949   5.985
  451    HA   GLU  59           HA       GLU  59   9.650  10.262   6.885
  452    HB2  GLU  59           1HB      GLU  59   7.461   8.355   7.699
  453    HB3  GLU  59           2HB      GLU  59   9.120   8.206   8.263
  454    HG2  GLU  59           1HG      GLU  59   7.251  10.511   8.744
  455    HG3  GLU  59           2HG      GLU  59   7.796   9.321   9.924
  456    H    LEU  60           H        LEU  60   7.620   8.216   4.906
  457    HA   LEU  60           HA       LEU  60   9.871   6.430   4.374
  458    HB2  LEU  60           1HB      LEU  60   6.914   6.222   3.860
  459    HB3  LEU  60           2HB      LEU  60   8.053   5.140   3.096
  460    HG   LEU  60           HG       LEU  60   7.381   3.904   4.924
  461   HD11  LEU  60          1HD1      LEU  60   9.688   5.421   6.109
  462   HD12  LEU  60          2HD1      LEU  60   9.837   4.143   4.905
  463   HD13  LEU  60          3HD1      LEU  60   9.173   3.780   6.497
  464   HD21  LEU  60          3HD2      LEU  60   7.467   6.372   6.652
  465   HD22  LEU  60          1HD2      LEU  60   6.909   4.770   7.133
  466   HD23  LEU  60          2HD2      LEU  60   6.012   5.695   5.927
  467    H    GLY  61           H        GLY  61  10.188   8.957   3.305
  468    HA2  GLY  61           1HA      GLY  61   9.360   9.033   0.556
  469    HA3  GLY  61           2HA      GLY  61  10.537  10.089   1.323
  470    H    ASP  62           H        ASP  62  12.318   8.150   2.260
  471    HA   ASP  62           HA       ASP  62  13.863   7.685  -0.051
  472    HB2  ASP  62           1HB      ASP  62  15.381   6.450   1.422
  473    HB3  ASP  62           2HB      ASP  62  14.872   7.955   2.177
  474    H    VAL  63           H        VAL  63  11.641   5.708   1.797
  475    HA   VAL  63           HA       VAL  63  12.113   3.254   0.491
  476    HB   VAL  63           HB       VAL  63   9.585   4.268   1.782
  477   HG11  VAL  63          1HG1      VAL  63   8.892   1.950   1.905
  478   HG12  VAL  63          2HG1      VAL  63  10.374   1.445   1.092
  479   HG13  VAL  63          3HG1      VAL  63   9.181   2.414   0.228
  480   HG21  VAL  63          3HG2      VAL  63  10.298   2.864   3.682
  481   HG22  VAL  63          1HG2      VAL  63  11.390   4.215   3.362
  482   HG23  VAL  63          2HG2      VAL  63  11.832   2.584   2.856
  483    H    ALA  64           H        ALA  64   9.858   5.899  -0.119
  484    HA   ALA  64           HA       ALA  64   8.532   4.811  -2.327
  485    HB1  ALA  64           1HB      ALA  64   7.742   6.793  -1.143
  486    HB2  ALA  64           2HB      ALA  64   7.913   7.114  -2.868
  487    HB3  ALA  64           3HB      ALA  64   9.127   7.709  -1.736
  488    H    GLN  65           H        GLN  65  11.632   6.412  -2.054
  489    HA   GLN  65           HA       GLN  65  11.976   6.880  -4.852
  490    HB2  GLN  65           1HB      GLN  65  14.026   6.762  -2.631
  491    HB3  GLN  65           2HB      GLN  65  14.312   7.383  -4.251
  492    HG2  GLN  65           1HG      GLN  65  12.363   8.525  -2.255
  493    HG3  GLN  65           2HG      GLN  65  13.967   9.165  -2.613
  494   HE21  GLN  65          1HE2      GLN  65  11.373  10.428  -2.860
  495   HE22  GLN  65          2HE2      GLN  65  11.219  10.915  -4.512
  496    H    LYS  66           H        LYS  66  12.860   4.344  -2.608
  497    HA   LYS  66           HA       LYS  66  14.561   2.843  -4.213
  498    HB2  LYS  66           1HB      LYS  66  12.640   1.973  -2.057
  499    HB3  LYS  66           2HB      LYS  66  13.943   0.988  -2.697
  500    HG2  LYS  66           1HG      LYS  66  15.553   2.680  -1.887
  501    HG3  LYS  66           2HG      LYS  66  14.200   3.551  -1.166
  502    HD2  LYS  66           1HD      LYS  66  13.673   1.554   0.183
  503    HD3  LYS  66           2HD      LYS  66  15.092   0.751  -0.491
  504    HE2  LYS  66           1HE      LYS  66  15.119   3.302   1.118
  505    HE3  LYS  66           2HE      LYS  66  15.529   1.702   1.732
  506    HZ1  LYS  66           3HZ      LYS  66  16.978   3.183  -0.399
  507    HZ2  LYS  66           1HZ      LYS  66  17.354   1.619   0.128
  508    HZ3  LYS  66           2HZ      LYS  66  17.511   2.926   1.186
  509    H    ASN  67           H        ASN  67  11.100   3.042  -3.997
  510    HA   ASN  67           HA       ASN  67  10.791   0.805  -5.853
  511    HB2  ASN  67           1HB      ASN  67   8.799   2.230  -4.085
  512    HB3  ASN  67           2HB      ASN  67   8.386   0.926  -5.194
  513   HD21  ASN  67          1HD2      ASN  67  10.038   1.766  -2.242
  514   HD22  ASN  67          2HD2      ASN  67  10.239   0.148  -1.667
  515    H    GLU  68           H        GLU  68  11.534   3.750  -6.289
  516    HA   GLU  68           HA       GLU  68  11.336   5.272  -7.948
  517    HB2  GLU  68           1HB      GLU  68  10.209   2.876  -9.393
  518    HB3  GLU  68           2HB      GLU  68  10.670   4.381 -10.176
  519    HG2  GLU  68           1HG      GLU  68  12.970   4.078  -9.434
  520    HG3  GLU  68           2HG      GLU  68  12.515   2.583  -8.619
  521    H    VAL  69           H        VAL  69   9.379   5.571  -6.128
  522    HA   VAL  69           HA       VAL  69   6.894   5.989  -7.612
  523    HB   VAL  69           HB       VAL  69   7.524   6.203  -4.667
  524   HG11  VAL  69          1HG1      VAL  69   4.882   6.533  -6.078
  525   HG12  VAL  69          2HG1      VAL  69   5.801   7.810  -5.280
  526   HG13  VAL  69          3HG1      VAL  69   5.120   6.487  -4.331
  527   HG21  VAL  69          3HG2      VAL  69   7.495   3.918  -5.496
  528   HG22  VAL  69          1HG2      VAL  69   5.915   4.188  -6.232
  529   HG23  VAL  69          2HG2      VAL  69   6.087   4.222  -4.477
  530    H    SER  70           H        SER  70   6.651   7.882  -8.595
  531    HA   SER  70           HA       SER  70   7.688  10.296  -7.265
  532    HB2  SER  70           1HB      SER  70   7.722  11.292  -9.591
  533    HB3  SER  70           2HB      SER  70   8.896  10.006  -9.309
  534    HG   SER  70           HG       SER  70   7.962   8.868 -10.799
  535    H    ALA  71           H        ALA  71   4.950   8.630  -7.815
  536    HA   ALA  71           HA       ALA  71   3.322  11.080  -7.817
  537    HB1  ALA  71           1HB      ALA  71   3.087  10.018  -9.995
  538    HB2  ALA  71           2HB      ALA  71   1.583   9.883  -9.081
  539    HB3  ALA  71           3HB      ALA  71   2.658   8.494  -9.224
  540    H    MET  72           H        MET  72   2.086  11.259  -6.069
  541    HA   MET  72           HA       MET  72   1.575   8.826  -4.488
  542    HB2  MET  72           1HB      MET  72   1.439  10.251  -2.526
  543    HB3  MET  72           2HB      MET  72   2.950  10.577  -3.359
  544    HG2  MET  72           1HG      MET  72   2.213  12.689  -2.813
  545    HG3  MET  72           2HG      MET  72   1.651  12.510  -4.473
  546    HE1  MET  72           3HE      MET  72   0.219  14.813  -3.333
  547    HE2  MET  72           1HE      MET  72  -1.476  14.373  -3.573
  548    HE3  MET  72           2HE      MET  72  -0.267  13.955  -4.797
  549    HA   PRO  73           HA       PRO  73   0.340   8.460  -2.695
  550    HB2  PRO  73           1HB      PRO  73  -2.172   7.043  -2.505
  551    HB3  PRO  73           2HB      PRO  73  -1.400   8.080  -1.307
  552    HG2  PRO  73           1HG      PRO  73  -3.716   8.736  -2.583
  553    HG3  PRO  73           2HG      PRO  73  -2.561   9.937  -1.975
  554    HD2  PRO  73           1HD      PRO  73  -2.918   8.893  -4.761
  555    HD3  PRO  73           2HD      PRO  73  -2.653  10.563  -4.210
  556    H    THR  74           H        THR  74   0.438   5.938  -2.478
  557    HA   THR  74           HA       THR  74   0.356   4.777  -5.166
  558    HB   THR  74           HB       THR  74   2.809   4.454  -3.486
  559    HG1  THR  74           1HG      THR  74   2.491   6.585  -5.356
  560   HG21  THR  74          3HG2      THR  74   3.881   4.204  -5.681
  561   HG22  THR  74          1HG2      THR  74   2.334   4.518  -6.470
  562   HG23  THR  74          2HG2      THR  74   2.544   3.070  -5.486
  563    H    LEU  75           H        LEU  75  -0.360   2.703  -5.088
  564    HA   LEU  75           HA       LEU  75  -0.180   1.286  -2.515
  565    HB2  LEU  75           1HB      LEU  75  -2.325   1.509  -4.530
  566    HB3  LEU  75           2HB      LEU  75  -2.056  -0.081  -3.850
  567    HG   LEU  75           HG       LEU  75  -3.839   1.164  -2.684
  568   HD11  LEU  75          1HD1      LEU  75  -1.370   0.632  -1.048
  569   HD12  LEU  75          2HD1      LEU  75  -2.646  -0.517  -1.449
  570   HD13  LEU  75          3HD1      LEU  75  -2.993   0.851  -0.394
  571   HD21  LEU  75          3HD2      LEU  75  -3.088   3.411  -2.942
  572   HD22  LEU  75          1HD2      LEU  75  -1.611   3.070  -2.039
  573   HD23  LEU  75          2HD2      LEU  75  -3.171   3.045  -1.218
  574    H    LEU  76           H        LEU  76   1.436  -0.105  -2.646
  575    HA   LEU  76           HA       LEU  76   1.644  -1.719  -5.101
  576    HB2  LEU  76           1HB      LEU  76   3.978  -1.028  -3.314
  577    HB3  LEU  76           2HB      LEU  76   4.026  -1.735  -4.914
  578    HG   LEU  76           HG       LEU  76   3.168   1.100  -4.335
  579   HD11  LEU  76          1HD1      LEU  76   5.338   1.739  -5.258
  580   HD12  LEU  76          2HD1      LEU  76   5.791   0.039  -5.376
  581   HD13  LEU  76          3HD1      LEU  76   5.520   0.772  -3.795
  582   HD21  LEU  76          3HD2      LEU  76   3.776  -0.346  -6.905
  583   HD22  LEU  76          1HD2      LEU  76   3.444   1.381  -6.759
  584   HD23  LEU  76          2HD2      LEU  76   2.191   0.205  -6.362
  585    H    LEU  77           H        LEU  77   0.980  -3.708  -4.620
  586    HA   LEU  77           HA       LEU  77   1.410  -4.645  -1.904
  587    HB2  LEU  77           1HB      LEU  77   0.317  -6.640  -3.684
  588    HB3  LEU  77           2HB      LEU  77  -0.330  -5.998  -2.188
  589    HG   LEU  77           HG       LEU  77  -0.677  -4.774  -4.925
  590   HD11  LEU  77          1HD1      LEU  77  -1.915  -6.853  -4.597
  591   HD12  LEU  77          2HD1      LEU  77  -3.013  -5.472  -4.622
  592   HD13  LEU  77          3HD1      LEU  77  -2.582  -6.227  -3.082
  593   HD21  LEU  77          3HD2      LEU  77  -0.681  -3.318  -2.695
  594   HD22  LEU  77          1HD2      LEU  77  -2.322  -3.953  -2.596
  595   HD23  LEU  77          2HD2      LEU  77  -1.820  -3.029  -4.012
  596    H    PHE  78           H        PHE  78   2.964  -5.871  -1.308
  597    HA   PHE  78           HA       PHE  78   4.734  -6.949  -3.377
  598    HB2  PHE  78           1HB      PHE  78   5.280  -5.981  -0.578
  599    HB3  PHE  78           2HB      PHE  78   6.451  -6.907  -1.504
  600    HD1  PHE  78           1HD      PHE  78   4.750  -3.694  -1.152
  601    HD2  PHE  78           2HD      PHE  78   7.594  -5.934  -3.382
  602    HE1  PHE  78           1HE      PHE  78   5.575  -1.617  -2.178
  603    HE2  PHE  78           2HE      PHE  78   8.419  -3.868  -4.414
  604    HZ   PHE  78           HZ       PHE  78   7.411  -1.702  -3.814
  605    H    LYS  79           H        LYS  79   5.587  -9.012  -3.102
  606    HA   LYS  79           HA       LYS  79   4.562 -10.607  -0.897
  607    HB2  LYS  79           1HB      LYS  79   3.997 -11.040  -3.814
  608    HB3  LYS  79           2HB      LYS  79   3.834 -12.308  -2.630
  609    HG2  LYS  79           1HG      LYS  79   2.279 -10.741  -1.385
  610    HG3  LYS  79           2HG      LYS  79   2.190  -9.871  -2.916
  611    HD2  LYS  79           1HD      LYS  79   0.406 -11.338  -3.094
  612    HD3  LYS  79           2HD      LYS  79   1.686 -12.217  -3.917
  613    HE2  LYS  79           1HE      LYS  79   0.917 -12.630  -1.031
  614    HE3  LYS  79           2HE      LYS  79   0.326 -13.610  -2.368
  615    HZ1  LYS  79           3HZ      LYS  79   3.143 -13.349  -1.489
  616    HZ2  LYS  79           1HZ      LYS  79   2.641 -14.215  -2.849
  617    HZ3  LYS  79           2HZ      LYS  79   2.155 -14.704  -1.307
  618    H    ASN  80           H        ASN  80   6.098 -11.901  -0.170
  619    HA   ASN  80           HA       ASN  80   8.181 -12.722   0.151
  620    HB2  ASN  80           1HB      ASN  80   8.840 -14.542  -1.299
  621    HB3  ASN  80           2HB      ASN  80   7.105 -14.588  -1.047
  622   HD21  ASN  80          1HD2      ASN  80   5.747 -14.337  -2.771
  623   HD22  ASN  80          2HD2      ASN  80   6.294 -14.271  -4.405
  624    H    GLY  81           H        GLY  81   8.185 -10.099  -1.047
  625    HA2  GLY  81           1HA      GLY  81   9.796  -8.602  -1.697
  626    HA3  GLY  81           2HA      GLY  81  10.963  -9.910  -1.599
  627    H    LYS  82           H        LYS  82   8.273 -10.502  -3.676
  628    HA   LYS  82           HA       LYS  82  10.011  -9.932  -5.992
  629    HB2  LYS  82           1HB      LYS  82   9.377 -11.916  -6.905
  630    HB3  LYS  82           2HB      LYS  82   9.127 -12.326  -5.225
  631    HG2  LYS  82           1HG      LYS  82   6.790 -12.024  -5.391
  632    HG3  LYS  82           2HG      LYS  82   6.935 -11.282  -6.984
  633    HD2  LYS  82           1HD      LYS  82   7.798 -13.432  -7.860
  634    HD3  LYS  82           2HD      LYS  82   7.519 -14.155  -6.273
  635    HE2  LYS  82           1HE      LYS  82   5.147 -13.671  -6.447
  636    HE3  LYS  82           2HE      LYS  82   5.404 -12.870  -7.995
  637    HZ1  LYS  82           3HZ      LYS  82   6.115 -14.966  -8.932
  638    HZ2  LYS  82           1HZ      LYS  82   4.571 -15.124  -8.265
  639    HZ3  LYS  82           2HZ      LYS  82   5.915 -15.743  -7.448
  640    H    GLU  83           H        GLU  83   7.524  -8.844  -4.324
  641    HA   GLU  83           HA       GLU  83   5.887  -7.321  -4.654
  642    HB2  GLU  83           1HB      GLU  83   6.615  -7.470  -7.587
  643    HB3  GLU  83           2HB      GLU  83   5.483  -6.325  -6.883
  644    HG2  GLU  83           1HG      GLU  83   7.272  -5.319  -5.592
  645    HG3  GLU  83           2HG      GLU  83   8.416  -6.497  -6.237
  646    H    VAL  84           H        VAL  84   3.827  -7.155  -6.282
  647    HA   VAL  84           HA       VAL  84   3.049  -9.635  -7.416
  648    HB   VAL  84           HB       VAL  84   2.651  -9.754  -4.861
  649   HG11  VAL  84          1HG1      VAL  84   0.004  -8.551  -5.500
  650   HG12  VAL  84          2HG1      VAL  84   1.348  -7.564  -4.916
  651   HG13  VAL  84          3HG1      VAL  84   0.748  -8.907  -3.936
  652   HG21  VAL  84          3HG2      VAL  84   0.716 -10.610  -6.963
  653   HG22  VAL  84          1HG2      VAL  84   0.557 -11.089  -5.268
  654   HG23  VAL  84          2HG2      VAL  84   2.000 -11.540  -6.181
  655    H    ALA  85           H        ALA  85   2.316  -6.357  -6.433
  656    HA   ALA  85           HA       ALA  85   1.100  -5.915  -9.043
  657    HB1  ALA  85           1HB      ALA  85  -0.685  -6.529  -7.198
  658    HB2  ALA  85           2HB      ALA  85  -0.986  -5.282  -8.414
  659    HB3  ALA  85           3HB      ALA  85  -0.470  -4.824  -6.791
  660    H    LYS  86           H        LYS  86   0.733  -3.634  -9.502
  661    HA   LYS  86           HA       LYS  86   2.032  -1.781  -7.685
  662    HB2  LYS  86           1HB      LYS  86   3.831  -2.541  -9.157
  663    HB3  LYS  86           2HB      LYS  86   2.868  -2.154 -10.570
  664    HG2  LYS  86           1HG      LYS  86   3.367   0.083  -8.722
  665    HG3  LYS  86           2HG      LYS  86   4.782  -0.556  -9.556
  666    HD2  LYS  86           1HD      LYS  86   3.560  -0.282 -11.705
  667    HD3  LYS  86           2HD      LYS  86   2.246   0.488 -10.812
  668    HE2  LYS  86           1HE      LYS  86   3.675   2.181 -11.784
  669    HE3  LYS  86           2HE      LYS  86   3.819   2.218 -10.028
  670    HZ1  LYS  86           3HZ      LYS  86   5.892   0.983 -10.212
  671    HZ2  LYS  86           1HZ      LYS  86   5.973   2.416 -11.107
  672    HZ3  LYS  86           2HZ      LYS  86   5.744   0.939 -11.896
  673    H    VAL  87           H        VAL  87   0.398  -0.399  -7.328
  674    HA   VAL  87           HA       VAL  87  -0.817   0.882  -9.700
  675    HB   VAL  87           HB       VAL  87  -2.114   0.769  -6.963
  676   HG11  VAL  87          1HG1      VAL  87  -4.118   1.467  -8.203
  677   HG12  VAL  87          2HG1      VAL  87  -3.169   1.522  -9.688
  678   HG13  VAL  87          3HG1      VAL  87  -2.797   2.629  -8.362
  679   HG21  VAL  87          3HG2      VAL  87  -3.611  -0.950  -7.753
  680   HG22  VAL  87          1HG2      VAL  87  -1.945  -1.518  -7.899
  681   HG23  VAL  87          2HG2      VAL  87  -2.816  -0.967  -9.332
  682    H    VAL  88           H        VAL  88  -0.998   3.125  -9.637
  683    HA   VAL  88           HA       VAL  88   0.318   4.528  -7.477
  684    HB   VAL  88           HB       VAL  88   2.221   3.747  -8.647
  685   HG11  VAL  88          1HG1      VAL  88   0.999   4.778 -11.198
  686   HG12  VAL  88          2HG1      VAL  88   1.070   3.082 -10.702
  687   HG13  VAL  88          3HG1      VAL  88   2.563   3.975 -11.033
  688   HG21  VAL  88          3HG2      VAL  88   2.330   6.090  -7.966
  689   HG22  VAL  88          1HG2      VAL  88   1.717   6.577  -9.548
  690   HG23  VAL  88          2HG2      VAL  88   3.289   5.786  -9.417
  691    H    GLY  89           H        GLY  89  -1.676   5.624  -7.332
  692    HA2  GLY  89           1HA      GLY  89  -1.718   8.163  -8.201
  693    HA3  GLY  89           2HA      GLY  89  -2.475   7.324  -9.545
  694    H    ALA  90           H        ALA  90  -2.705   7.339  -5.983
  695    HA   ALA  90           HA       ALA  90  -4.496   7.340  -4.563
  696    HB1  ALA  90           1HB      ALA  90  -5.653   9.095  -6.728
  697    HB2  ALA  90           2HB      ALA  90  -4.644   9.632  -5.384
  698    HB3  ALA  90           3HB      ALA  90  -6.251   8.975  -5.074
  699    H    ASN  91           H        ASN  91  -4.977   5.080  -4.802
  700    HA   ASN  91           HA       ASN  91  -7.189   4.535  -6.656
  701    HB2  ASN  91           1HB      ASN  91  -6.339   2.207  -6.800
  702    HB3  ASN  91           2HB      ASN  91  -5.240   3.408  -7.468
  703   HD21  ASN  91          1HD2      ASN  91  -4.958   0.643  -6.282
  704   HD22  ASN  91          2HD2      ASN  91  -3.686   0.804  -5.131
  705    HA   PRO  92           HA       PRO  92  -9.097   2.984  -2.836
  706    HB2  PRO  92           1HB      PRO  92 -11.515   4.280  -3.678
  707    HB3  PRO  92           2HB      PRO  92 -10.544   4.630  -2.251
  708    HG2  PRO  92           1HG      PRO  92 -10.855   6.309  -4.439
  709    HG3  PRO  92           2HG      PRO  92  -9.566   6.425  -3.232
  710    HD2  PRO  92           1HD      PRO  92  -9.496   5.301  -5.984
  711    HD3  PRO  92           2HD      PRO  92  -8.212   6.101  -5.058
  712    H    ALA  93           H        ALA  93 -10.159   3.458  -6.171
  713    HA   ALA  93           HA       ALA  93 -11.820   1.074  -6.115
  714    HB1  ALA  93           1HB      ALA  93 -12.444   1.675  -8.377
  715    HB2  ALA  93           2HB      ALA  93 -11.208   2.931  -8.410
  716    HB3  ALA  93           3HB      ALA  93 -12.583   3.077  -7.317
  717    H    ALA  94           H        ALA  94  -8.850   2.201  -7.679
  718    HA   ALA  94           HA       ALA  94  -8.460  -0.188  -9.194
  719    HB1  ALA  94           1HB      ALA  94  -6.287   0.750  -9.783
  720    HB2  ALA  94           2HB      ALA  94  -6.501   2.019  -8.582
  721    HB3  ALA  94           3HB      ALA  94  -7.574   1.938  -9.974
  722    H    ILE  95           H        ILE  95  -7.730   0.680  -5.918
  723    HA   ILE  95           HA       ILE  95  -5.672  -1.138  -5.402
  724    HB   ILE  95           HB       ILE  95  -6.722   0.396  -3.660
  725   HG12  ILE  95          1HG1      ILE  95  -6.121  -1.017  -1.819
  726   HG13  ILE  95          2HG1      ILE  95  -6.522  -2.480  -2.718
  727   HG21  ILE  95          1HG2      ILE  95  -8.702  -1.855  -3.384
  728   HG22  ILE  95          2HG2      ILE  95  -9.058  -0.256  -4.054
  729   HG23  ILE  95          3HG2      ILE  95  -8.587  -0.415  -2.362
  730   HD11  ILE  95          3HD1      ILE  95  -4.096  -2.080  -2.433
  731   HD12  ILE  95          1HD1      ILE  95  -4.254  -0.623  -3.411
  732   HD13  ILE  95          2HD1      ILE  95  -4.600  -2.201  -4.117
  733    H    LYS  96           H        LYS  96  -9.110  -1.528  -5.813
  734    HA   LYS  96           HA       LYS  96  -9.323  -4.204  -5.056
  735    HB2  LYS  96           1HB      LYS  96 -10.980  -2.300  -6.504
  736    HB3  LYS  96           2HB      LYS  96 -11.199  -3.953  -7.066
  737    HG2  LYS  96           1HG      LYS  96 -11.496  -2.974  -4.236
  738    HG3  LYS  96           2HG      LYS  96 -12.795  -3.461  -5.328
  739    HD2  LYS  96           1HD      LYS  96 -11.748  -5.728  -5.433
  740    HD3  LYS  96           2HD      LYS  96 -10.608  -5.202  -4.186
  741    HE2  LYS  96           1HE      LYS  96 -12.406  -4.855  -2.626
  742    HE3  LYS  96           2HE      LYS  96 -13.609  -5.185  -3.872
  743    HZ1  LYS  96           3HZ      LYS  96 -13.312  -7.103  -2.473
  744    HZ2  LYS  96           1HZ      LYS  96 -11.649  -7.128  -2.777
  745    HZ3  LYS  96           2HZ      LYS  96 -12.743  -7.451  -4.023
  746    H    GLN  97           H        GLN  97  -8.480  -2.732  -8.130
  747    HA   GLN  97           HA       GLN  97  -8.326  -4.938  -9.784
  748    HB2  GLN  97           1HB      GLN  97  -7.935  -2.662 -10.573
  749    HB3  GLN  97           2HB      GLN  97  -6.481  -2.542  -9.604
  750    HG2  GLN  97           1HG      GLN  97  -6.593  -4.707 -11.629
  751    HG3  GLN  97           2HG      GLN  97  -6.432  -3.052 -12.209
  752   HE21  GLN  97          1HE2      GLN  97  -4.876  -5.693 -10.624
  753   HE22  GLN  97          2HE2      GLN  97  -3.301  -4.981 -10.507
  754    H    ALA  98           H        ALA  98  -5.719  -3.625  -7.736
  755    HA   ALA  98           HA       ALA  98  -4.028  -5.898  -8.218
  756    HB1  ALA  98           1HB      ALA  98  -3.784  -3.636  -6.230
  757    HB2  ALA  98           2HB      ALA  98  -3.054  -3.698  -7.833
  758    HB3  ALA  98           3HB      ALA  98  -2.514  -4.813  -6.575
  759    H    ILE  99           H        ILE  99  -6.340  -5.041  -5.893
  760    HA   ILE  99           HA       ILE  99  -5.286  -6.718  -3.828
  761    HB   ILE  99           HB       ILE  99  -6.889  -4.492  -3.864
  762   HG12  ILE  99          1HG1      ILE  99  -5.317  -5.254  -2.136
  763   HG13  ILE  99          2HG1      ILE  99  -6.858  -4.731  -1.449
  764   HG21  ILE  99          1HG2      ILE  99  -8.644  -6.584  -2.677
  765   HG22  ILE  99          2HG2      ILE  99  -8.834  -6.049  -4.345
  766   HG23  ILE  99          3HG2      ILE  99  -8.998  -4.884  -3.024
  767   HD11  ILE  99          3HD1      ILE  99  -6.577  -7.586  -2.169
  768   HD12  ILE  99          1HD1      ILE  99  -7.440  -6.838  -0.826
  769   HD13  ILE  99          2HD1      ILE  99  -5.682  -7.011  -0.749
  770    H    ALA 100           H        ALA 100  -7.918  -6.904  -6.118
  771    HA   ALA 100           HA       ALA 100  -8.874  -9.350  -4.906
  772    HB1  ALA 100           1HB      ALA 100  -9.857  -7.926  -7.383
  773    HB2  ALA 100           2HB      ALA 100 -10.513  -7.743  -5.756
  774    HB3  ALA 100           3HB      ALA 100 -10.645  -9.291  -6.592
  775    H    ALA 101           H        ALA 101  -7.029  -8.288  -7.678
  776    HA   ALA 101           HA       ALA 101  -7.060 -10.811  -9.010
  777    HB1  ALA 101           1HB      ALA 101  -5.148  -8.506  -9.343
  778    HB2  ALA 101           2HB      ALA 101  -6.663  -8.723 -10.218
  779    HB3  ALA 101           3HB      ALA 101  -5.340  -9.868 -10.445
  780    H    ASN 102           H        ASN 102  -4.868  -9.231  -6.700
  781    HA   ASN 102           HA       ASN 102  -3.088 -11.557  -6.972
  782    HB2  ASN 102           1HB      ASN 102  -2.629  -8.935  -5.561
  783    HB3  ASN 102           2HB      ASN 102  -1.461 -10.254  -5.644
  784   HD21  ASN 102          1HD2      ASN 102  -2.899  -7.629  -7.257
  785   HD22  ASN 102          2HD2      ASN 102  -1.983  -7.727  -8.728
  786    H    ALA 103           H        ALA 103  -4.099  -9.613  -4.155
  787    HA   ALA 103           HA       ALA 103  -3.580 -11.364  -2.140
  788    HB1  ALA 103           1HB      ALA 103  -4.532  -9.077  -1.838
  789    HB2  ALA 103           2HB      ALA 103  -5.258 -10.294  -0.786
  790    HB3  ALA 103           3HB      ALA 103  -6.118  -9.738  -2.222
  Start of MODEL   14
    1    H1   MET   1           1H       MET   1 -10.101  -0.174   9.813
    2    H2   MET   1           2H       MET   1  -9.033  -1.393  10.291
    3    H3   MET   1           3H       MET   1  -9.191  -1.004   8.655
    4    HA   MET   1           HA       MET   1  -8.276   1.174   9.036
    5    HB2  MET   1           1HB      MET   1  -9.039   1.428  11.365
    6    HB3  MET   1           2HB      MET   1  -7.901   0.189  11.873
    7    HG2  MET   1           1HG      MET   1  -7.133   2.488  12.335
    8    HG3  MET   1           2HG      MET   1  -6.038   1.576  11.298
    9    HE1  MET   1           3HE      MET   1  -4.816   3.824  10.603
   10    HE2  MET   1           1HE      MET   1  -5.909   4.761  11.621
   11    HE3  MET   1           2HE      MET   1  -5.648   5.232   9.943
   12    H    VAL   2           H        VAL   2  -6.095   1.435   8.614
   13    HA   VAL   2           HA       VAL   2  -4.638  -1.110   8.474
   14    HB   VAL   2           HB       VAL   2  -4.293  -0.764   6.312
   15   HG11  VAL   2          1HG1      VAL   2  -5.518   0.952   5.111
   16   HG12  VAL   2          2HG1      VAL   2  -5.830   1.801   6.624
   17   HG13  VAL   2          3HG1      VAL   2  -6.522   0.202   6.350
   18   HG21  VAL   2          3HG2      VAL   2  -2.483   0.890   7.310
   19   HG22  VAL   2          1HG2      VAL   2  -3.470   2.075   6.459
   20   HG23  VAL   2          2HG2      VAL   2  -2.752   0.722   5.579
   21    H    THR   3           H        THR   3  -2.459  -1.173   8.834
   22    HA   THR   3           HA       THR   3  -1.588   0.622  10.923
   23    HB   THR   3           HB       THR   3  -0.935  -2.071   9.967
   24    HG1  THR   3           1HG      THR   3  -1.791  -0.993  12.135
   25   HG21  THR   3          3HG2      THR   3   1.212  -0.928   9.470
   26   HG22  THR   3          1HG2      THR   3   1.349  -2.148  10.749
   27   HG23  THR   3          2HG2      THR   3   1.300  -0.435  11.170
   28    H    GLN   4           H        GLN   4   0.176   1.835  10.955
   29    HA   GLN   4           HA       GLN   4   1.411   2.592   8.417
   30    HB2  GLN   4           1HB      GLN   4   2.377   4.417   9.932
   31    HB3  GLN   4           2HB      GLN   4   0.640   4.460   9.653
   32    HG2  GLN   4           1HG      GLN   4   0.151   3.620  11.779
   33    HG3  GLN   4           2HG      GLN   4   1.804   3.055  12.020
   34   HE21  GLN   4          1HE2      GLN   4   3.400   4.473  12.611
   35   HE22  GLN   4          2HE2      GLN   4   3.075   6.058  13.204
   36    H    PHE   5           H        PHE   5   3.515   2.021   7.976
   37    HA   PHE   5           HA       PHE   5   5.048   0.707  10.088
   38    HB2  PHE   5           1HB      PHE   5   5.574   1.100   7.152
   39    HB3  PHE   5           2HB      PHE   5   6.802   0.490   8.243
   40    HD1  PHE   5           1HD      PHE   5   5.053  -1.279   9.948
   41    HD2  PHE   5           2HD      PHE   5   5.270  -0.706   5.741
   42    HE1  PHE   5           1HE      PHE   5   4.265  -3.582   9.595
   43    HE2  PHE   5           2HE      PHE   5   4.486  -2.998   5.373
   44    HZ   PHE   5           HZ       PHE   5   3.978  -4.444   7.306
   45    H    LYS   6           H        LYS   6   6.924   1.558  10.969
   46    HA   LYS   6           HA       LYS   6   7.165   4.438  10.580
   47    HB2  LYS   6           1HB      LYS   6   8.449   4.410  12.704
   48    HB3  LYS   6           2HB      LYS   6   6.806   3.795  12.860
   49    HG2  LYS   6           1HG      LYS   6   7.682   1.505  12.771
   50    HG3  LYS   6           2HG      LYS   6   9.321   2.141  12.667
   51    HD2  LYS   6           1HD      LYS   6   8.894   1.518  14.945
   52    HD3  LYS   6           2HD      LYS   6   8.954   3.278  14.850
   53    HE2  LYS   6           1HE      LYS   6   7.118   2.592  16.266
   54    HE3  LYS   6           2HE      LYS   6   6.491   3.334  14.798
   55    HZ1  LYS   6           3HZ      LYS   6   5.271   1.333  15.384
   56    HZ2  LYS   6           1HZ      LYS   6   6.687   0.413  15.304
   57    HZ3  LYS   6           2HZ      LYS   6   6.064   1.135  13.908
   58    H    THR   7           H        THR   7   8.807   1.584   9.734
   59    HA   THR   7           HA       THR   7  11.052   3.226   8.825
   60    HB   THR   7           HB       THR   7  12.607   1.346   9.200
   61    HG1  THR   7           1HG      THR   7  11.495  -0.061  11.042
   62   HG21  THR   7          3HG2      THR   7  12.528   3.165  10.815
   63   HG22  THR   7          1HG2      THR   7  12.828   1.629  11.630
   64   HG23  THR   7          2HG2      THR   7  11.222   2.356  11.680
   65    H    ALA   8           H        ALA   8  12.050   2.600   6.903
   66    HA   ALA   8           HA       ALA   8  10.486   1.331   4.928
   67    HB1  ALA   8           1HB      ALA   8  13.478   1.753   5.028
   68    HB2  ALA   8           2HB      ALA   8  12.292   2.897   4.402
   69    HB3  ALA   8           3HB      ALA   8  12.541   1.351   3.590
   70    H    SER   9           H        SER   9  12.806   0.225   7.274
   71    HA   SER   9           HA       SER   9  13.207  -2.392   6.314
   72    HB2  SER   9           1HB      SER   9  14.615  -1.264   8.049
   73    HB3  SER   9           2HB      SER   9  13.286  -1.452   9.191
   74    HG   SER   9           HG       SER   9  14.418  -3.237   9.563
   75    H    GLU  10           H        GLU  10  10.753  -0.954   8.454
   76    HA   GLU  10           HA       GLU  10   9.444  -3.326   9.211
   77    HB2  GLU  10           1HB      GLU  10   8.510  -0.500   8.807
   78    HB3  GLU  10           2HB      GLU  10   7.363  -1.765   9.224
   79    HG2  GLU  10           1HG      GLU  10   9.810  -1.152  10.850
   80    HG3  GLU  10           2HG      GLU  10   8.238  -0.406  11.134
   81    H    PHE  11           H        PHE  11   8.890  -1.193   6.465
   82    HA   PHE  11           HA       PHE  11   6.859  -2.712   5.243
   83    HB2  PHE  11           1HB      PHE  11   6.886  -0.555   4.505
   84    HB3  PHE  11           2HB      PHE  11   8.639  -0.450   4.492
   85    HD1  PHE  11           2HD      PHE  11   5.660  -1.397   2.595
   86    HD2  PHE  11           1HD      PHE  11   9.900  -1.087   2.550
   87    HE1  PHE  11           2HE      PHE  11   5.641  -1.628   0.145
   88    HE2  PHE  11           1HE      PHE  11   9.893  -1.316   0.097
   89    HZ   PHE  11           HZ       PHE  11   7.762  -1.589  -1.107
   90    H    ASP  12           H        ASP  12  10.356  -2.595   4.744
   91    HA   ASP  12           HA       ASP  12  10.549  -4.329   2.572
   92    HB2  ASP  12           1HB      ASP  12  12.456  -3.036   3.267
   93    HB3  ASP  12           2HB      ASP  12  12.488  -3.837   4.834
   94    H    SER  13           H        SER  13  10.636  -5.062   6.036
   95    HA   SER  13           HA       SER  13  11.137  -7.818   5.721
   96    HB2  SER  13           1HB      SER  13   9.791  -6.423   8.047
   97    HB3  SER  13           2HB      SER  13  10.588  -7.997   8.084
   98    HG   SER  13           HG       SER  13  11.683  -5.430   8.026
   99    H    ALA  14           H        ALA  14   8.170  -5.944   5.814
  100    HA   ALA  14           HA       ALA  14   6.429  -8.187   6.017
  101    HB1  ALA  14           1HB      ALA  14   5.660  -5.969   6.634
  102    HB2  ALA  14           2HB      ALA  14   4.663  -6.618   5.330
  103    HB3  ALA  14           3HB      ALA  14   5.896  -5.407   4.980
  104    H    ILE  15           H        ILE  15   7.518  -6.189   3.291
  105    HA   ILE  15           HA       ILE  15   5.981  -7.566   1.356
  106    HB   ILE  15           HB       ILE  15   7.310  -6.383  -0.309
  107   HG12  ILE  15          1HG1      ILE  15   8.934  -5.240   1.951
  108   HG13  ILE  15          2HG1      ILE  15   9.464  -6.657   1.057
  109   HG21  ILE  15          1HG2      ILE  15   5.488  -5.214   0.822
  110   HG22  ILE  15          2HG2      ILE  15   6.794  -4.103   0.410
  111   HG23  ILE  15          3HG2      ILE  15   6.607  -4.667   2.070
  112   HD11  ILE  15          3HD1      ILE  15  10.522  -4.669   0.200
  113   HD12  ILE  15          1HD1      ILE  15   8.950  -3.919  -0.072
  114   HD13  ILE  15          2HD1      ILE  15   9.424  -5.335  -1.009
  115    H    ALA  16           H        ALA  16   8.869  -8.397   2.962
  116    HA   ALA  16           HA       ALA  16   9.883 -10.081   0.832
  117    HB1  ALA  16           1HB      ALA  16  11.653 -10.649   2.355
  118    HB2  ALA  16           2HB      ALA  16  10.771  -9.937   3.705
  119    HB3  ALA  16           3HB      ALA  16  11.390  -8.904   2.413
  120    H    GLN  17           H        GLN  17   7.462 -10.334   3.076
  121    HA   GLN  17           HA       GLN  17   7.832 -13.067   3.852
  122    HB2  GLN  17           1HB      GLN  17   5.401 -11.276   4.033
  123    HB3  GLN  17           2HB      GLN  17   5.536 -12.866   4.771
  124    HG2  GLN  17           1HG      GLN  17   7.338 -12.093   6.182
  125    HG3  GLN  17           2HG      GLN  17   7.297 -10.510   5.405
  126   HE21  GLN  17          1HE2      GLN  17   4.438 -12.365   6.175
  127   HE22  GLN  17          2HE2      GLN  17   3.856 -11.319   7.420
  128    H    ASP  18           H        ASP  18   6.438 -14.803   3.286
  129    HA   ASP  18           HA       ASP  18   6.131 -15.094   0.479
  130    HB2  ASP  18           1HB      ASP  18   6.744 -16.939   2.008
  131    HB3  ASP  18           2HB      ASP  18   5.138 -16.872   2.717
  132    H    LYS  19           H        LYS  19   4.253 -13.327   2.379
  133    HA   LYS  19           HA       LYS  19   1.713 -14.284   1.255
  134    HB2  LYS  19           1HB      LYS  19   0.559 -13.424   3.036
  135    HB3  LYS  19           2HB      LYS  19   1.931 -14.259   3.746
  136    HG2  LYS  19           1HG      LYS  19   2.759 -12.372   4.640
  137    HG3  LYS  19           2HG      LYS  19   2.346 -11.409   3.215
  138    HD2  LYS  19           1HD      LYS  19   1.094 -10.899   5.396
  139    HD3  LYS  19           2HD      LYS  19   0.145 -11.081   3.919
  140    HE2  LYS  19           1HE      LYS  19  -0.240 -13.461   4.540
  141    HE3  LYS  19           2HE      LYS  19   0.556 -13.137   6.085
  142    HZ1  LYS  19           3HZ      LYS  19  -1.981 -11.988   5.077
  143    HZ2  LYS  19           1HZ      LYS  19  -1.150 -11.342   6.409
  144    HZ3  LYS  19           2HZ      LYS  19  -1.741 -12.930   6.460
  145    H    LEU  20           H        LEU  20   0.097 -12.362   1.409
  146    HA   LEU  20           HA       LEU  20   1.042 -10.454  -0.570
  147    HB2  LEU  20           1HB      LEU  20  -1.148 -11.758  -0.686
  148    HB3  LEU  20           2HB      LEU  20  -1.733 -10.724   0.594
  149    HG   LEU  20           HG       LEU  20  -2.583  -9.981  -1.530
  150   HD11  LEU  20          1HD1      LEU  20  -2.174  -8.227   0.055
  151   HD12  LEU  20          2HD1      LEU  20  -1.834  -7.654  -1.576
  152   HD13  LEU  20          3HD1      LEU  20  -0.506  -8.077  -0.495
  153   HD21  LEU  20          3HD2      LEU  20   0.241  -9.545  -2.429
  154   HD22  LEU  20          1HD2      LEU  20  -1.239  -9.284  -3.352
  155   HD23  LEU  20          2HD2      LEU  20  -0.756 -10.921  -2.902
  156    H    VAL  21           H        VAL  21   1.977  -8.648   0.148
  157    HA   VAL  21           HA       VAL  21   0.747  -7.324   2.485
  158    HB   VAL  21           HB       VAL  21   3.644  -7.231   1.607
  159   HG11  VAL  21          1HG1      VAL  21   4.028  -5.683   3.443
  160   HG12  VAL  21          2HG1      VAL  21   2.311  -5.715   3.859
  161   HG13  VAL  21          3HG1      VAL  21   2.833  -5.004   2.328
  162   HG21  VAL  21          3HG2      VAL  21   3.009  -9.225   2.873
  163   HG22  VAL  21          1HG2      VAL  21   2.334  -8.211   4.147
  164   HG23  VAL  21          2HG2      VAL  21   4.067  -8.184   3.822
  165    H    VAL  22           H        VAL  22  -0.490  -5.703   1.811
  166    HA   VAL  22           HA       VAL  22   0.480  -4.079  -0.416
  167    HB   VAL  22           HB       VAL  22  -1.562  -4.547  -1.193
  168   HG11  VAL  22          1HG1      VAL  22  -2.544  -4.894   1.619
  169   HG12  VAL  22          2HG1      VAL  22  -2.154  -6.157   0.446
  170   HG13  VAL  22          3HG1      VAL  22  -3.537  -5.099   0.175
  171   HG21  VAL  22          3HG2      VAL  22  -2.288  -2.371   0.755
  172   HG22  VAL  22          1HG2      VAL  22  -3.285  -2.879  -0.608
  173   HG23  VAL  22          2HG2      VAL  22  -1.698  -2.166  -0.895
  174    H    VAL  23           H        VAL  23   1.652  -2.482   0.259
  175    HA   VAL  23           HA       VAL  23   0.733  -0.853   2.546
  176    HB   VAL  23           HB       VAL  23   3.486  -0.871   1.297
  177   HG11  VAL  23          1HG1      VAL  23   2.470   0.235   3.905
  178   HG12  VAL  23          2HG1      VAL  23   2.881   1.173   2.469
  179   HG13  VAL  23          3HG1      VAL  23   4.138   0.285   3.335
  180   HG21  VAL  23          3HG2      VAL  23   3.282  -3.021   2.216
  181   HG22  VAL  23          1HG2      VAL  23   2.382  -2.427   3.611
  182   HG23  VAL  23          2HG2      VAL  23   4.097  -2.069   3.459
  183    H    ALA  24           H        ALA  24   0.455   1.389   2.245
  184    HA   ALA  24           HA       ALA  24   0.745   2.396  -0.514
  185    HB1  ALA  24           1HB      ALA  24  -1.246   3.568  -0.382
  186    HB2  ALA  24           2HB      ALA  24  -1.289   3.476   1.374
  187    HB3  ALA  24           3HB      ALA  24  -1.622   2.037   0.411
  188    H    PHE  25           H        PHE  25   2.065   3.928  -0.833
  189    HA   PHE  25           HA       PHE  25   3.244   5.493   1.237
  190    HB2  PHE  25           1HB      PHE  25   3.214   5.811  -1.764
  191    HB3  PHE  25           2HB      PHE  25   4.243   6.742  -0.675
  192    HD1  PHE  25           1HD      PHE  25   6.122   5.669   0.470
  193    HD2  PHE  25           2HD      PHE  25   3.666   3.510  -2.256
  194    HE1  PHE  25           1HE      PHE  25   7.827   3.896   0.334
  195    HE2  PHE  25           2HE      PHE  25   5.361   1.731  -2.380
  196    HZ   PHE  25           HZ       PHE  25   7.444   1.924  -1.083
  197    H    TYR  26           H        TYR  26   2.697   7.479   1.970
  198    HA   TYR  26           HA       TYR  26   0.147   8.610   1.031
  199    HB2  TYR  26           1HB      TYR  26   0.623   7.027   3.368
  200    HB3  TYR  26           2HB      TYR  26   0.204   8.662   3.862
  201    HD1  TYR  26           2HD      TYR  26  -0.934   6.153   1.350
  202    HD2  TYR  26           1HD      TYR  26  -1.996   9.044   4.277
  203    HE1  TYR  26           2HE      TYR  26  -3.308   5.635   0.995
  204    HE2  TYR  26           1HE      TYR  26  -4.372   8.530   3.935
  205    HH   TYR  26           HH       TYR  26  -5.792   7.577   2.150
  206    H    ALA  27           H        ALA  27  -0.406  10.522   2.566
  207    HA   ALA  27           HA       ALA  27   1.695  11.885   3.903
  208    HB1  ALA  27           1HB      ALA  27   2.341  12.458   1.609
  209    HB2  ALA  27           2HB      ALA  27   1.765  13.882   2.475
  210    HB3  ALA  27           3HB      ALA  27   0.721  13.082   1.301
  211    H    THR  28           H        THR  28   0.877  13.811   4.967
  212    HA   THR  28           HA       THR  28  -1.961  13.636   5.498
  213    HB   THR  28           HB       THR  28  -1.387  15.562   7.118
  214    HG1  THR  28           1HG      THR  28   0.588  16.286   6.856
  215   HG21  THR  28          3HG2      THR  28  -0.443  13.991   8.756
  216   HG22  THR  28          1HG2      THR  28  -0.099  12.851   7.456
  217   HG23  THR  28          2HG2      THR  28  -1.768  13.263   7.847
  218    H    TRP  29           H        TRP  29  -0.177  15.165   3.203
  219    HA   TRP  29           HA       TRP  29  -1.952  17.501   3.103
  220    HB2  TRP  29           1HB      TRP  29  -0.055  18.609   1.846
  221    HB3  TRP  29           2HB      TRP  29   0.230  18.303   3.556
  222    HD1  TRP  29           HD       TRP  29   0.993  16.572   0.184
  223    HE1  TRP  29           1HE      TRP  29   3.321  15.466   0.351
  224    HE3  TRP  29           3HE      TRP  29   2.050  17.688   5.045
  225    HZ2  TRP  29           2HZ      TRP  29   5.329  15.118   2.310
  226    HZ3  TRP  29           3HZ      TRP  29   4.188  16.936   5.995
  227    HH2  TRP  29           HH       TRP  29   5.792  15.679   4.657
  228    H    CYS  30           H        CYS  30  -2.796  15.122   1.933
  229    HA   CYS  30           HA       CYS  30  -2.856  15.953  -0.859
  230    HB2  CYS  30           1HB      CYS  30  -2.602  13.465  -1.493
  231    HB3  CYS  30           2HB      CYS  30  -1.154  14.393  -1.107
  232    H    GLY  31           H        GLY  31  -4.814  16.038  -1.551
  233    HA2  GLY  31           1HA      GLY  31  -7.088  15.205  -0.162
  234    HA3  GLY  31           2HA      GLY  31  -7.048  15.691  -1.845
  235    HA   PRO  32           HA       PRO  32  -7.445  11.514  -3.368
  236    HB2  PRO  32           1HB      PRO  32  -4.556  10.864  -3.605
  237    HB3  PRO  32           2HB      PRO  32  -5.833  10.770  -4.821
  238    HG2  PRO  32           1HG      PRO  32  -4.029  12.704  -4.923
  239    HG3  PRO  32           2HG      PRO  32  -5.732  13.036  -5.294
  240    HD2  PRO  32           1HD      PRO  32  -4.191  13.615  -2.788
  241    HD3  PRO  32           2HD      PRO  32  -5.378  14.626  -3.625
  242    H    CYS  33           H        CYS  33  -4.668  11.675  -1.184
  243    HA   CYS  33           HA       CYS  33  -4.770   9.093  -0.128
  244    HB2  CYS  33           1HB      CYS  33  -4.041  11.587   1.408
  245    HB3  CYS  33           2HB      CYS  33  -3.454   9.948   1.679
  246    H    LYS  34           H        LYS  34  -6.612  11.981   0.702
  247    HA   LYS  34           HA       LYS  34  -7.706  10.976   3.086
  248    HB2  LYS  34           1HB      LYS  34  -7.752  13.378   2.375
  249    HB3  LYS  34           2HB      LYS  34  -9.009  12.958   1.217
  250    HG2  LYS  34           1HG      LYS  34 -10.420  12.172   3.086
  251    HG3  LYS  34           2HG      LYS  34  -9.176  12.714   4.213
  252    HD2  LYS  34           1HD      LYS  34  -9.414  15.004   3.286
  253    HD3  LYS  34           2HD      LYS  34 -10.754  14.422   2.296
  254    HE2  LYS  34           1HE      LYS  34 -10.622  14.407   5.309
  255    HE3  LYS  34           2HE      LYS  34 -11.574  15.507   4.315
  256    HZ1  LYS  34           3HZ      LYS  34 -12.847  13.616   3.509
  257    HZ2  LYS  34           1HZ      LYS  34 -12.927  13.717   5.196
  258    HZ3  LYS  34           2HZ      LYS  34 -11.933  12.562   4.465
  259    H    MET  35           H        MET  35  -9.064  11.035  -0.229
  260    HA   MET  35           HA       MET  35 -11.523   9.896   0.491
  261    HB2  MET  35           1HB      MET  35 -11.819   9.393  -1.912
  262    HB3  MET  35           2HB      MET  35 -11.336  11.050  -1.594
  263    HG2  MET  35           1HG      MET  35  -9.047  10.497  -2.218
  264    HG3  MET  35           2HG      MET  35  -9.538   8.833  -2.518
  265    HE1  MET  35           3HE      MET  35 -11.066  12.415  -4.996
  266    HE2  MET  35           1HE      MET  35 -10.010  12.572  -3.594
  267    HE3  MET  35           2HE      MET  35 -11.676  12.034  -3.387
  268    H    ILE  36           H        ILE  36  -8.623   8.243  -0.792
  269    HA   ILE  36           HA       ILE  36  -9.992   5.728  -0.716
  270    HB   ILE  36           HB       ILE  36  -8.447   5.326  -2.265
  271   HG12  ILE  36          1HG1      ILE  36  -7.666   4.074  -0.076
  272   HG13  ILE  36          2HG1      ILE  36  -6.750   3.964  -1.567
  273   HG21  ILE  36          1HG2      ILE  36  -7.718   7.605  -2.398
  274   HG22  ILE  36          2HG2      ILE  36  -6.331   6.525  -2.537
  275   HG23  ILE  36          3HG2      ILE  36  -6.641   7.374  -1.022
  276   HD11  ILE  36          3HD1      ILE  36  -5.207   5.660  -0.747
  277   HD12  ILE  36          1HD1      ILE  36  -5.312   4.301   0.372
  278   HD13  ILE  36          2HD1      ILE  36  -6.152   5.813   0.738
  279    H    ALA  37           H        ALA  37  -8.358   7.627   1.577
  280    HA   ALA  37           HA       ALA  37  -7.229   5.679   3.207
  281    HB1  ALA  37           1HB      ALA  37  -6.819   8.097   3.388
  282    HB2  ALA  37           2HB      ALA  37  -7.151   7.313   4.940
  283    HB3  ALA  37           3HB      ALA  37  -8.399   8.279   4.157
  284    HA   PRO  38           HA       PRO  38 -11.416   5.045   5.444
  285    HB2  PRO  38           1HB      PRO  38 -13.465   6.191   3.691
  286    HB3  PRO  38           2HB      PRO  38 -13.259   6.371   5.435
  287    HG2  PRO  38           1HG      PRO  38 -12.794   8.398   3.738
  288    HG3  PRO  38           2HG      PRO  38 -11.841   8.170   5.217
  289    HD2  PRO  38           1HD      PRO  38 -11.160   7.422   2.394
  290    HD3  PRO  38           2HD      PRO  38 -10.153   8.216   3.618
  291    H    MET  39           H        MET  39 -11.347   5.210   1.883
  292    HA   MET  39           HA       MET  39 -13.050   2.976   1.495
  293    HB2  MET  39           1HB      MET  39 -10.842   3.977  -0.300
  294    HB3  MET  39           2HB      MET  39 -12.087   2.832  -0.771
  295    HG2  MET  39           1HG      MET  39 -12.499   5.704   0.029
  296    HG3  MET  39           2HG      MET  39 -12.624   5.031  -1.594
  297    HE1  MET  39           3HE      MET  39 -15.019   6.230  -1.792
  298    HE2  MET  39           1HE      MET  39 -14.865   6.830  -0.143
  299    HE3  MET  39           2HE      MET  39 -16.327   5.977  -0.639
  300    H    ILE  40           H        ILE  40  -9.449   3.011   1.220
  301    HA   ILE  40           HA       ILE  40  -9.296   0.199   1.290
  302    HB   ILE  40           HB       ILE  40  -7.297   2.407   1.598
  303   HG12  ILE  40          1HG1      ILE  40  -7.523   0.052  -0.281
  304   HG13  ILE  40          2HG1      ILE  40  -8.242   1.629  -0.583
  305   HG21  ILE  40          1HG2      ILE  40  -6.708  -0.517   2.061
  306   HG22  ILE  40          2HG2      ILE  40  -6.488   0.806   3.209
  307   HG23  ILE  40          3HG2      ILE  40  -5.491   0.724   1.756
  308   HD11  ILE  40          3HD1      ILE  40  -5.354   0.877  -0.494
  309   HD12  ILE  40          1HD1      ILE  40  -5.900   2.548  -0.348
  310   HD13  ILE  40          2HD1      ILE  40  -6.282   1.626  -1.801
  311    H    GLU  41           H        GLU  41  -9.625   2.543   3.829
  312    HA   GLU  41           HA       GLU  41  -8.981   0.937   6.031
  313    HB2  GLU  41           1HB      GLU  41  -9.621   3.326   6.196
  314    HB3  GLU  41           2HB      GLU  41 -11.276   2.890   5.794
  315    HG2  GLU  41           1HG      GLU  41 -11.274   1.429   7.838
  316    HG3  GLU  41           2HG      GLU  41  -9.732   2.170   8.263
  317    H    LYS  42           H        LYS  42 -12.038   1.204   4.192
  318    HA   LYS  42           HA       LYS  42 -13.340  -0.814   5.674
  319    HB2  LYS  42           1HB      LYS  42 -14.746   0.618   4.421
  320    HB3  LYS  42           2HB      LYS  42 -13.809   0.390   2.953
  321    HG2  LYS  42           1HG      LYS  42 -16.015  -0.726   2.911
  322    HG3  LYS  42           2HG      LYS  42 -14.663  -1.834   2.679
  323    HD2  LYS  42           1HD      LYS  42 -16.298  -2.821   4.166
  324    HD3  LYS  42           2HD      LYS  42 -14.804  -2.482   5.040
  325    HE2  LYS  42           1HE      LYS  42 -15.777  -0.511   6.027
  326    HE3  LYS  42           2HE      LYS  42 -17.235  -0.696   5.055
  327    HZ1  LYS  42           3HZ      LYS  42 -17.512  -1.495   7.340
  328    HZ2  LYS  42           1HZ      LYS  42 -16.296  -2.644   7.090
  329    HZ3  LYS  42           2HZ      LYS  42 -17.733  -2.733   6.209
  330    H    PHE  43           H        PHE  43 -11.522  -0.879   2.667
  331    HA   PHE  43           HA       PHE  43 -11.890  -3.583   2.174
  332    HB2  PHE  43           1HB      PHE  43  -9.698  -1.742   1.257
  333    HB3  PHE  43           2HB      PHE  43  -9.930  -3.382   0.661
  334    HD1  PHE  43           1HD      PHE  43 -13.054  -2.081   1.436
  335    HD2  PHE  43           2HD      PHE  43  -9.998  -1.857  -1.539
  336    HE1  PHE  43           1HE      PHE  43 -14.696  -1.221  -0.196
  337    HE2  PHE  43           2HE      PHE  43 -11.635  -0.980  -3.150
  338    HZ   PHE  43           HZ       PHE  43 -13.984  -0.668  -2.487
  339    H    SER  44           H        SER  44  -9.806  -1.949   4.400
  340    HA   SER  44           HA       SER  44  -7.973  -4.125   4.690
  341    HB2  SER  44           1HB      SER  44  -7.037  -2.867   6.525
  342    HB3  SER  44           2HB      SER  44  -7.311  -1.758   5.196
  343    HG   SER  44           HG       SER  44  -9.457  -1.486   6.450
  344    H    GLU  45           H        GLU  45 -11.066  -3.237   5.793
  345    HA   GLU  45           HA       GLU  45 -11.011  -5.047   8.068
  346    HB2  GLU  45           1HB      GLU  45 -13.323  -3.600   6.755
  347    HB3  GLU  45           2HB      GLU  45 -13.431  -4.545   8.234
  348    HG2  GLU  45           1HG      GLU  45 -11.866  -2.011   7.816
  349    HG3  GLU  45           2HG      GLU  45 -13.325  -2.216   8.785
  350    H    GLN  46           H        GLN  46 -11.483  -5.166   4.705
  351    HA   GLN  46           HA       GLN  46 -12.513  -7.896   4.988
  352    HB2  GLN  46           1HB      GLN  46 -13.128  -7.296   2.408
  353    HB3  GLN  46           2HB      GLN  46 -14.238  -7.184   3.762
  354    HG2  GLN  46           1HG      GLN  46 -14.032  -4.874   3.903
  355    HG3  GLN  46           2HG      GLN  46 -12.527  -4.849   3.003
  356   HE21  GLN  46          1HE2      GLN  46 -13.535  -6.647   0.933
  357   HE22  GLN  46          2HE2      GLN  46 -14.645  -5.727  -0.015
  358    H    TYR  47           H        TYR  47  -9.627  -6.891   4.768
  359    HA   TYR  47           HA       TYR  47  -8.925  -8.820   2.639
  360    HB2  TYR  47           1HB      TYR  47  -6.957  -7.350   4.406
  361    HB3  TYR  47           2HB      TYR  47  -6.584  -8.338   3.000
  362    HD1  TYR  47           2HD      TYR  47  -8.949  -7.036   1.339
  363    HD2  TYR  47           1HD      TYR  47  -5.668  -5.526   3.600
  364    HE1  TYR  47           2HE      TYR  47  -8.929  -5.013  -0.058
  365    HE2  TYR  47           1HE      TYR  47  -5.647  -3.491   2.207
  366    HH   TYR  47           HH       TYR  47  -6.367  -2.756   0.007
  367    HA   PRO  48           HA       PRO  48  -8.780 -11.696   6.160
  368    HB2  PRO  48           1HB      PRO  48  -9.183 -13.935   4.692
  369    HB3  PRO  48           2HB      PRO  48 -10.506 -12.893   5.227
  370    HG2  PRO  48           1HG      PRO  48  -9.177 -13.052   2.556
  371    HG3  PRO  48           2HG      PRO  48 -10.894 -12.854   2.944
  372    HD2  PRO  48           1HD      PRO  48  -9.265 -10.791   2.200
  373    HD3  PRO  48           2HD      PRO  48 -10.693 -10.592   3.229
  374    H    GLN  49           H        GLN  49  -7.232 -12.176   2.975
  375    HA   GLN  49           HA       GLN  49  -5.179 -13.818   4.204
  376    HB2  GLN  49           1HB      GLN  49  -6.342 -14.563   2.173
  377    HB3  GLN  49           2HB      GLN  49  -5.711 -13.165   1.313
  378    HG2  GLN  49           1HG      GLN  49  -3.410 -14.042   1.956
  379    HG3  GLN  49           2HG      GLN  49  -4.254 -15.530   2.373
  380   HE21  GLN  49          1HE2      GLN  49  -3.306 -13.401  -0.182
  381   HE22  GLN  49          2HE2      GLN  49  -3.652 -14.474  -1.490
  382    H    ALA  50           H        ALA  50  -5.630 -10.642   3.046
  383    HA   ALA  50           HA       ALA  50  -2.780 -10.273   2.539
  384    HB1  ALA  50           1HB      ALA  50  -3.565  -8.102   1.498
  385    HB2  ALA  50           2HB      ALA  50  -5.203  -8.734   1.657
  386    HB3  ALA  50           3HB      ALA  50  -4.020  -9.585   0.666
  387    H    ASP  51           H        ASP  51  -1.676  -8.610   3.437
  388    HA   ASP  51           HA       ASP  51  -2.905  -7.461   5.827
  389    HB2  ASP  51           1HB      ASP  51  -0.098  -8.215   5.147
  390    HB3  ASP  51           2HB      ASP  51  -0.351  -6.888   6.277
  391    H    PHE  52           H        PHE  52  -3.044  -5.413   6.168
  392    HA   PHE  52           HA       PHE  52  -2.699  -3.702   3.814
  393    HB2  PHE  52           1HB      PHE  52  -4.642  -2.473   5.117
  394    HB3  PHE  52           2HB      PHE  52  -4.980  -3.887   4.126
  395    HD1  PHE  52           1HD      PHE  52  -5.310  -6.119   5.239
  396    HD2  PHE  52           2HD      PHE  52  -4.955  -2.516   7.452
  397    HE1  PHE  52           1HE      PHE  52  -6.275  -7.235   7.195
  398    HE2  PHE  52           2HE      PHE  52  -5.919  -3.624   9.416
  399    HZ   PHE  52           HZ       PHE  52  -6.573  -5.990   9.293
  400    H    TYR  53           H        TYR  53  -1.151  -2.210   4.040
  401    HA   TYR  53           HA       TYR  53  -1.007  -0.765   6.598
  402    HB2  TYR  53           1HB      TYR  53   1.473  -1.491   5.039
  403    HB3  TYR  53           2HB      TYR  53   1.366  -0.835   6.680
  404    HD1  TYR  53           2HD      TYR  53   0.376  -2.320   8.488
  405    HD2  TYR  53           1HD      TYR  53   1.607  -3.825   4.713
  406    HE1  TYR  53           2HE      TYR  53   0.537  -4.572   9.452
  407    HE2  TYR  53           1HE      TYR  53   1.773  -6.085   5.667
  408    HH   TYR  53           HH       TYR  53   2.095  -7.132   7.861
  409    H    LYS  54           H        LYS  54  -0.061   1.389   6.384
  410    HA   LYS  54           HA       LYS  54   0.327   2.339   3.647
  411    HB2  LYS  54           1HB      LYS  54  -1.673   3.559   5.557
  412    HB3  LYS  54           2HB      LYS  54  -1.069   4.397   4.134
  413    HG2  LYS  54           1HG      LYS  54  -1.915   2.442   2.772
  414    HG3  LYS  54           2HG      LYS  54  -2.710   1.877   4.225
  415    HD2  LYS  54           1HD      LYS  54  -3.203   4.629   3.126
  416    HD3  LYS  54           2HD      LYS  54  -4.108   3.226   2.550
  417    HE2  LYS  54           1HE      LYS  54  -5.453   4.206   4.201
  418    HE3  LYS  54           2HE      LYS  54  -4.717   2.803   4.972
  419    HZ1  LYS  54           3HZ      LYS  54  -3.748   5.600   5.269
  420    HZ2  LYS  54           1HZ      LYS  54  -3.165   4.246   6.092
  421    HZ3  LYS  54           2HZ      LYS  54  -4.732   4.802   6.382
  422    H    LEU  55           H        LEU  55   2.019   3.655   3.433
  423    HA   LEU  55           HA       LEU  55   3.503   4.392   5.884
  424    HB2  LEU  55           1HB      LEU  55   4.408   4.649   3.014
  425    HB3  LEU  55           2HB      LEU  55   5.403   4.761   4.440
  426    HG   LEU  55           HG       LEU  55   4.044   2.262   3.470
  427   HD11  LEU  55          1HD1      LEU  55   5.850   2.967   1.992
  428   HD12  LEU  55          2HD1      LEU  55   6.296   1.519   2.895
  429   HD13  LEU  55          3HD1      LEU  55   6.939   3.090   3.373
  430   HD21  LEU  55          3HD2      LEU  55   4.286   2.278   5.870
  431   HD22  LEU  55          1HD2      LEU  55   5.984   2.732   5.714
  432   HD23  LEU  55          2HD2      LEU  55   5.435   1.154   5.142
  433    H    ASP  56           H        ASP  56   3.467   6.531   6.590
  434    HA   ASP  56           HA       ASP  56   2.656   8.620   4.803
  435    HB2  ASP  56           1HB      ASP  56   3.250  10.169   6.551
  436    HB3  ASP  56           2HB      ASP  56   2.367   8.834   7.269
  437    H    VAL  57           H        VAL  57   3.852   9.475   3.276
  438    HA   VAL  57           HA       VAL  57   6.402   8.454   2.676
  439    HB   VAL  57           HB       VAL  57   4.421   9.670   1.296
  440   HG11  VAL  57          1HG1      VAL  57   6.625  11.722   1.366
  441   HG12  VAL  57          2HG1      VAL  57   5.029  11.907   2.092
  442   HG13  VAL  57          3HG1      VAL  57   5.190  11.756   0.340
  443   HG21  VAL  57          3HG2      VAL  57   5.974   8.151   0.353
  444   HG22  VAL  57          1HG2      VAL  57   7.285   9.327   0.483
  445   HG23  VAL  57          2HG2      VAL  57   5.952   9.614  -0.636
  446    H    ASP  58           H        ASP  58   5.485  10.911   4.792
  447    HA   ASP  58           HA       ASP  58   7.717  12.654   4.455
  448    HB2  ASP  58           1HB      ASP  58   5.648  13.478   5.415
  449    HB3  ASP  58           2HB      ASP  58   5.775  12.332   6.747
  450    H    GLU  59           H        GLU  59   6.899  10.121   6.856
  451    HA   GLU  59           HA       GLU  59   9.624  10.114   7.842
  452    HB2  GLU  59           1HB      GLU  59   7.265   8.307   8.352
  453    HB3  GLU  59           2HB      GLU  59   8.854   8.006   9.035
  454    HG2  GLU  59           1HG      GLU  59   7.211  10.482   9.494
  455    HG3  GLU  59           2HG      GLU  59   7.335   9.121  10.604
  456    H    LEU  60           H        LEU  60   7.715   8.387   5.493
  457    HA   LEU  60           HA       LEU  60   9.918   6.506   5.048
  458    HB2  LEU  60           1HB      LEU  60   6.994   6.395   4.335
  459    HB3  LEU  60           2HB      LEU  60   8.167   5.343   3.570
  460    HG   LEU  60           HG       LEU  60   7.205   4.081   5.307
  461   HD11  LEU  60          1HD1      LEU  60   9.783   5.157   6.425
  462   HD12  LEU  60          2HD1      LEU  60   9.652   3.902   5.190
  463   HD13  LEU  60          3HD1      LEU  60   9.027   3.613   6.820
  464   HD21  LEU  60          3HD2      LEU  60   6.135   5.904   6.513
  465   HD22  LEU  60          1HD2      LEU  60   7.698   6.398   7.165
  466   HD23  LEU  60          2HD2      LEU  60   7.009   4.837   7.613
  467    H    GLY  61           H        GLY  61  10.674   8.845   4.154
  468    HA2  GLY  61           1HA      GLY  61   9.851   9.365   1.447
  469    HA3  GLY  61           2HA      GLY  61  11.156  10.158   2.312
  470    H    ASP  62           H        ASP  62  12.659   7.858   2.991
  471    HA   ASP  62           HA       ASP  62  14.171   7.583   0.623
  472    HB2  ASP  62           1HB      ASP  62  15.273   7.367   2.765
  473    HB3  ASP  62           2HB      ASP  62  14.260   5.990   3.189
  474    H    VAL  63           H        VAL  63  12.033   5.316   2.325
  475    HA   VAL  63           HA       VAL  63  12.353   3.185   0.530
  476    HB   VAL  63           HB       VAL  63  11.348   2.742   2.678
  477   HG11  VAL  63          1HG1      VAL  63   9.192   3.520   3.334
  478   HG12  VAL  63          2HG1      VAL  63   9.043   4.449   1.838
  479   HG13  VAL  63          3HG1      VAL  63  10.271   4.883   3.027
  480   HG21  VAL  63          3HG2      VAL  63   9.355   2.351   0.466
  481   HG22  VAL  63          1HG2      VAL  63   9.334   1.506   2.015
  482   HG23  VAL  63          2HG2      VAL  63  10.673   1.258   0.892
  483    H    ALA  64           H        ALA  64  10.109   5.900   0.573
  484    HA   ALA  64           HA       ALA  64   8.539   5.225  -1.618
  485    HB1  ALA  64           1HB      ALA  64   8.077   7.616  -1.820
  486    HB2  ALA  64           2HB      ALA  64   9.435   7.967  -0.748
  487    HB3  ALA  64           3HB      ALA  64   8.032   7.089  -0.138
  488    H    GLN  65           H        GLN  65  11.701   6.782  -1.485
  489    HA   GLN  65           HA       GLN  65  11.757   7.396  -4.277
  490    HB2  GLN  65           1HB      GLN  65  13.890   7.379  -2.138
  491    HB3  GLN  65           2HB      GLN  65  14.181   7.897  -3.797
  492    HG2  GLN  65           1HG      GLN  65  12.155   9.126  -1.940
  493    HG3  GLN  65           2HG      GLN  65  13.770   9.759  -2.238
  494   HE21  GLN  65          1HE2      GLN  65  14.250  10.655  -4.254
  495   HE22  GLN  65          2HE2      GLN  65  13.010  11.162  -5.346
  496    H    LYS  66           H        LYS  66  12.948   4.807  -2.237
  497    HA   LYS  66           HA       LYS  66  14.517   3.463  -4.092
  498    HB2  LYS  66           1HB      LYS  66  12.875   2.378  -1.812
  499    HB3  LYS  66           2HB      LYS  66  14.157   1.508  -2.637
  500    HG2  LYS  66           1HG      LYS  66  15.609   3.553  -1.943
  501    HG3  LYS  66           2HG      LYS  66  14.315   3.804  -0.771
  502    HD2  LYS  66           1HD      LYS  66  15.887   1.252  -1.070
  503    HD3  LYS  66           2HD      LYS  66  16.217   2.497   0.131
  504    HE2  LYS  66           1HE      LYS  66  13.983   2.168   1.073
  505    HE3  LYS  66           2HE      LYS  66  13.660   0.920  -0.129
  506    HZ1  LYS  66           3HZ      LYS  66  15.516  -0.358   0.791
  507    HZ2  LYS  66           1HZ      LYS  66  14.324  -0.066   1.955
  508    HZ3  LYS  66           2HZ      LYS  66  15.757   0.828   1.970
  509    H    ASN  67           H        ASN  67  11.075   3.441  -3.498
  510    HA   ASN  67           HA       ASN  67  10.699   1.397  -5.552
  511    HB2  ASN  67           1HB      ASN  67   8.806   2.598  -3.528
  512    HB3  ASN  67           2HB      ASN  67   8.310   1.444  -4.763
  513   HD21  ASN  67          1HD2      ASN  67  10.224   1.922  -1.890
  514   HD22  ASN  67          2HD2      ASN  67  10.461   0.248  -1.520
  515    H    GLU  68           H        GLU  68  11.296   4.448  -5.747
  516    HA   GLU  68           HA       GLU  68  11.007   6.044  -7.329
  517    HB2  GLU  68           1HB      GLU  68   9.696   3.795  -8.862
  518    HB3  GLU  68           2HB      GLU  68  10.257   5.312  -9.551
  519    HG2  GLU  68           1HG      GLU  68  12.537   4.766  -9.015
  520    HG3  GLU  68           2HG      GLU  68  12.024   3.305  -8.174
  521    H    VAL  69           H        VAL  69   9.071   6.012  -5.317
  522    HA   VAL  69           HA       VAL  69   6.450   6.238  -6.518
  523    HB   VAL  69           HB       VAL  69   7.381   6.780  -3.694
  524   HG11  VAL  69          1HG1      VAL  69   5.364   8.049  -4.200
  525   HG12  VAL  69          2HG1      VAL  69   5.007   6.725  -3.090
  526   HG13  VAL  69          3HG1      VAL  69   4.578   6.586  -4.795
  527   HG21  VAL  69          3HG2      VAL  69   6.305   4.634  -3.189
  528   HG22  VAL  69          1HG2      VAL  69   7.627   4.454  -4.342
  529   HG23  VAL  69          2HG2      VAL  69   5.955   4.416  -4.904
  530    H    SER  70           H        SER  70   5.577   8.024  -7.293
  531    HA   SER  70           HA       SER  70   6.668  10.618  -6.445
  532    HB2  SER  70           1HB      SER  70   6.086  11.404  -8.783
  533    HB3  SER  70           2HB      SER  70   7.433  10.271  -8.683
  534    HG   SER  70           HG       SER  70   6.283   9.296 -10.183
  535    H    ALA  71           H        ALA  71   3.879   9.167  -8.114
  536    HA   ALA  71           HA       ALA  71   2.067  11.202  -7.290
  537    HB1  ALA  71           1HB      ALA  71   0.337   9.775  -8.236
  538    HB2  ALA  71           2HB      ALA  71   1.475   8.432  -8.330
  539    HB3  ALA  71           3HB      ALA  71   1.721   9.867  -9.324
  540    H    MET  72           H        MET  72   0.166  10.832  -5.918
  541    HA   MET  72           HA       MET  72   0.547   8.758  -3.895
  542    HB2  MET  72           1HB      MET  72  -0.051  10.549  -2.144
  543    HB3  MET  72           2HB      MET  72   1.593  10.502  -2.761
  544    HG2  MET  72           1HG      MET  72   0.942  12.772  -2.639
  545    HG3  MET  72           2HG      MET  72   0.971  12.328  -4.341
  546    HE1  MET  72           3HE      MET  72  -0.391  14.974  -3.393
  547    HE2  MET  72           1HE      MET  72  -1.911  14.928  -4.287
  548    HE3  MET  72           2HE      MET  72  -0.414  14.417  -5.065
  549    HA   PRO  73           HA       PRO  73  -0.283   7.970  -2.233
  550    HB2  PRO  73           1HB      PRO  73  -1.896   5.883  -1.655
  551    HB3  PRO  73           2HB      PRO  73  -2.019   7.429  -0.804
  552    HG2  PRO  73           1HG      PRO  73  -3.679   6.370  -3.062
  553    HG3  PRO  73           2HG      PRO  73  -4.200   7.210  -1.589
  554    HD2  PRO  73           1HD      PRO  73  -3.957   8.466  -3.982
  555    HD3  PRO  73           2HD      PRO  73  -3.684   9.283  -2.433
  556    H    THR  74           H        THR  74   0.594   5.718  -2.426
  557    HA   THR  74           HA       THR  74   0.217   4.641  -5.125
  558    HB   THR  74           HB       THR  74   2.830   5.010  -3.655
  559    HG1  THR  74           1HG      THR  74   2.284   6.834  -4.825
  560   HG21  THR  74          3HG2      THR  74   2.300   3.522  -6.231
  561   HG22  THR  74          1HG2      THR  74   2.811   2.805  -4.704
  562   HG23  THR  74          2HG2      THR  74   3.893   3.894  -5.572
  563    H    LEU  75           H        LEU  75  -0.520   2.658  -5.058
  564    HA   LEU  75           HA       LEU  75  -0.305   1.153  -2.555
  565    HB2  LEU  75           1HB      LEU  75  -2.332   1.400  -4.693
  566    HB3  LEU  75           2HB      LEU  75  -2.144  -0.174  -3.956
  567    HG   LEU  75           HG       LEU  75  -3.954   1.095  -2.908
  568   HD11  LEU  75          1HD1      LEU  75  -1.565   0.717  -1.117
  569   HD12  LEU  75          2HD1      LEU  75  -2.774  -0.495  -1.533
  570   HD13  LEU  75          3HD1      LEU  75  -3.230   0.909  -0.571
  571   HD21  LEU  75          3HD2      LEU  75  -3.220   3.347  -3.277
  572   HD22  LEU  75          1HD2      LEU  75  -1.802   3.097  -2.258
  573   HD23  LEU  75          2HD2      LEU  75  -3.414   3.091  -1.543
  574    H    LEU  76           H        LEU  76   1.308  -0.255  -2.612
  575    HA   LEU  76           HA       LEU  76   1.571  -1.899  -5.042
  576    HB2  LEU  76           1HB      LEU  76   3.847  -1.216  -3.174
  577    HB3  LEU  76           2HB      LEU  76   3.951  -2.020  -4.725
  578    HG   LEU  76           HG       LEU  76   3.253   0.883  -4.284
  579   HD11  LEU  76          1HD1      LEU  76   5.607   0.340  -3.849
  580   HD12  LEU  76          2HD1      LEU  76   5.414   1.338  -5.289
  581   HD13  LEU  76          3HD1      LEU  76   5.725  -0.392  -5.448
  582   HD21  LEU  76          3HD2      LEU  76   3.620  -0.688  -6.827
  583   HD22  LEU  76          1HD2      LEU  76   3.421   1.061  -6.723
  584   HD23  LEU  76          2HD2      LEU  76   2.108  -0.006  -6.228
  585    H    LEU  77           H        LEU  77   0.815  -3.858  -4.569
  586    HA   LEU  77           HA       LEU  77   1.308  -4.882  -1.881
  587    HB2  LEU  77           1HB      LEU  77   0.067  -6.861  -3.443
  588    HB3  LEU  77           2HB      LEU  77  -0.620  -5.925  -2.136
  589    HG   LEU  77           HG       LEU  77  -0.632  -5.010  -5.013
  590   HD11  LEU  77          1HD1      LEU  77  -3.009  -5.751  -4.940
  591   HD12  LEU  77          2HD1      LEU  77  -2.682  -6.513  -3.380
  592   HD13  LEU  77          3HD1      LEU  77  -1.855  -7.079  -4.837
  593   HD21  LEU  77          3HD2      LEU  77  -2.210  -3.396  -4.343
  594   HD22  LEU  77          1HD2      LEU  77  -0.933  -3.314  -3.131
  595   HD23  LEU  77          2HD2      LEU  77  -2.445  -4.149  -2.769
  596    H    PHE  78           H        PHE  78   2.764  -6.343  -1.412
  597    HA   PHE  78           HA       PHE  78   4.444  -7.267  -3.626
  598    HB2  PHE  78           1HB      PHE  78   5.069  -6.447  -0.815
  599    HB3  PHE  78           2HB      PHE  78   6.170  -7.488  -1.700
  600    HD1  PHE  78           2HD      PHE  78   4.553  -4.165  -1.686
  601    HD2  PHE  78           1HD      PHE  78   7.631  -6.601  -3.331
  602    HE1  PHE  78           2HE      PHE  78   5.570  -2.180  -2.721
  603    HE2  PHE  78           1HE      PHE  78   8.651  -4.617  -4.365
  604    HZ   PHE  78           HZ       PHE  78   7.620  -2.403  -4.062
  605    H    LYS  79           H        LYS  79   5.535  -9.276  -3.361
  606    HA   LYS  79           HA       LYS  79   4.373 -11.198  -1.494
  607    HB2  LYS  79           1HB      LYS  79   2.999 -11.507  -3.392
  608    HB3  LYS  79           2HB      LYS  79   4.342 -11.296  -4.502
  609    HG2  LYS  79           1HG      LYS  79   3.748 -13.588  -4.530
  610    HG3  LYS  79           2HG      LYS  79   5.257 -13.460  -3.631
  611    HD2  LYS  79           1HD      LYS  79   3.792 -15.000  -2.506
  612    HD3  LYS  79           2HD      LYS  79   3.966 -13.545  -1.524
  613    HE2  LYS  79           1HE      LYS  79   1.812 -12.786  -2.077
  614    HE3  LYS  79           2HE      LYS  79   1.675 -13.907  -3.431
  615    HZ1  LYS  79           3HZ      LYS  79   1.477 -15.729  -1.945
  616    HZ2  LYS  79           1HZ      LYS  79   0.387 -14.547  -1.423
  617    HZ3  LYS  79           2HZ      LYS  79   1.848 -14.777  -0.600
  618    H    ASN  80           H        ASN  80   6.028 -12.235  -0.562
  619    HA   ASN  80           HA       ASN  80   8.201 -12.754  -0.091
  620    HB2  ASN  80           1HB      ASN  80   9.047 -14.600  -1.682
  621    HB3  ASN  80           2HB      ASN  80   7.590 -14.876  -0.751
  622   HD21  ASN  80          1HD2      ASN  80   7.926 -13.024  -3.762
  623   HD22  ASN  80          2HD2      ASN  80   6.844 -14.024  -4.671
  624    H    GLY  81           H        GLY  81   8.443 -10.309  -1.050
  625    HA2  GLY  81           1HA      GLY  81  10.075  -8.867  -1.755
  626    HA3  GLY  81           2HA      GLY  81  11.162 -10.243  -1.764
  627    H    LYS  82           H        LYS  82   8.374 -10.481  -3.785
  628    HA   LYS  82           HA       LYS  82  10.024  -9.826  -6.127
  629    HB2  LYS  82           1HB      LYS  82   8.155 -12.144  -5.664
  630    HB3  LYS  82           2HB      LYS  82   8.717 -11.675  -7.253
  631    HG2  LYS  82           1HG      LYS  82  11.021 -12.088  -6.580
  632    HG3  LYS  82           2HG      LYS  82  10.468 -12.529  -4.962
  633    HD2  LYS  82           1HD      LYS  82   9.187 -14.389  -5.912
  634    HD3  LYS  82           2HD      LYS  82   9.740 -13.944  -7.527
  635    HE2  LYS  82           1HE      LYS  82  12.045 -14.376  -6.873
  636    HE3  LYS  82           2HE      LYS  82  11.520 -14.771  -5.238
  637    HZ1  LYS  82           3HZ      LYS  82  10.773 -16.258  -7.696
  638    HZ2  LYS  82           1HZ      LYS  82  10.279 -16.641  -6.125
  639    HZ3  LYS  82           2HZ      LYS  82  11.910 -16.756  -6.549
  640    H    GLU  83           H        GLU  83   7.595  -8.720  -4.411
  641    HA   GLU  83           HA       GLU  83   5.839  -7.337  -4.766
  642    HB2  GLU  83           1HB      GLU  83   7.444  -6.485  -6.586
  643    HB3  GLU  83           2HB      GLU  83   6.476  -7.418  -7.713
  644    HG2  GLU  83           1HG      GLU  83   4.496  -6.093  -7.021
  645    HG3  GLU  83           2HG      GLU  83   5.561  -5.103  -6.024
  646    H    VAL  84           H        VAL  84   3.677  -7.247  -6.104
  647    HA   VAL  84           HA       VAL  84   3.084  -9.753  -7.431
  648    HB   VAL  84           HB       VAL  84   2.419  -9.732  -4.899
  649   HG11  VAL  84          1HG1      VAL  84   0.030  -9.088  -4.614
  650   HG12  VAL  84          2HG1      VAL  84   0.121  -8.274  -6.174
  651   HG13  VAL  84          3HG1      VAL  84   1.133  -7.729  -4.836
  652   HG21  VAL  84          3HG2      VAL  84   0.580 -11.275  -5.410
  653   HG22  VAL  84          1HG2      VAL  84   2.014 -11.567  -6.395
  654   HG23  VAL  84          2HG2      VAL  84   0.623 -10.733  -7.088
  655    H    ALA  85           H        ALA  85   2.212  -6.458  -6.644
  656    HA   ALA  85           HA       ALA  85   1.190  -6.043  -9.310
  657    HB1  ALA  85           1HB      ALA  85  -0.657  -5.561  -6.985
  658    HB2  ALA  85           2HB      ALA  85  -0.805  -6.907  -8.116
  659    HB3  ALA  85           3HB      ALA  85  -0.994  -5.245  -8.688
  660    H    LYS  86           H        LYS  86   0.723  -3.781  -9.726
  661    HA   LYS  86           HA       LYS  86   1.670  -1.964  -7.671
  662    HB2  LYS  86           1HB      LYS  86   3.679  -2.237  -8.880
  663    HB3  LYS  86           2HB      LYS  86   2.844  -2.234 -10.426
  664    HG2  LYS  86           1HG      LYS  86   2.381   0.128 -10.218
  665    HG3  LYS  86           2HG      LYS  86   3.101   0.153  -8.610
  666    HD2  LYS  86           1HD      LYS  86   5.268  -0.434  -9.555
  667    HD3  LYS  86           2HD      LYS  86   4.554  -0.515 -11.168
  668    HE2  LYS  86           1HE      LYS  86   3.978   1.851 -11.038
  669    HE3  LYS  86           2HE      LYS  86   4.662   1.946  -9.418
  670    HZ1  LYS  86           3HZ      LYS  86   6.204   2.770 -11.067
  671    HZ2  LYS  86           1HZ      LYS  86   6.159   1.302 -11.902
  672    HZ3  LYS  86           2HZ      LYS  86   6.824   1.375 -10.348
  673    H    VAL  87           H        VAL  87   0.203  -0.458  -7.383
  674    HA   VAL  87           HA       VAL  87  -0.906   0.845  -9.782
  675    HB   VAL  87           HB       VAL  87  -2.367   0.737  -7.129
  676   HG11  VAL  87          1HG1      VAL  87  -4.262   1.512  -8.519
  677   HG12  VAL  87          2HG1      VAL  87  -3.187   1.566  -9.917
  678   HG13  VAL  87          3HG1      VAL  87  -2.895   2.634  -8.538
  679   HG21  VAL  87          3HG2      VAL  87  -3.017  -0.937  -9.559
  680   HG22  VAL  87          1HG2      VAL  87  -3.859  -0.932  -8.005
  681   HG23  VAL  87          2HG2      VAL  87  -2.207  -1.548  -8.116
  682    H    VAL  88           H        VAL  88  -0.811   3.048  -9.762
  683    HA   VAL  88           HA       VAL  88   0.386   4.312  -7.436
  684    HB   VAL  88           HB       VAL  88   2.313   3.447  -8.486
  685   HG11  VAL  88          1HG1      VAL  88   1.353   4.588 -11.103
  686   HG12  VAL  88          2HG1      VAL  88   1.247   2.889 -10.626
  687   HG13  VAL  88          3HG1      VAL  88   2.829   3.658 -10.834
  688   HG21  VAL  88          3HG2      VAL  88   2.501   5.785  -7.766
  689   HG22  VAL  88          1HG2      VAL  88   2.072   6.312  -9.396
  690   HG23  VAL  88          2HG2      VAL  88   3.569   5.414  -9.122
  691    H    GLY  89           H        GLY  89  -1.540   5.506  -7.377
  692    HA2  GLY  89           1HA      GLY  89  -1.422   8.072  -7.993
  693    HA3  GLY  89           2HA      GLY  89  -1.962   7.428  -9.535
  694    H    ALA  90           H        ALA  90  -2.780   7.064  -6.086
  695    HA   ALA  90           HA       ALA  90  -4.751   7.084  -4.963
  696    HB1  ALA  90           1HB      ALA  90  -6.431   8.684  -5.633
  697    HB2  ALA  90           2HB      ALA  90  -5.734   8.783  -7.249
  698    HB3  ALA  90           3HB      ALA  90  -4.824   9.384  -5.860
  699    H    ASN  91           H        ASN  91  -5.338   4.956  -5.023
  700    HA   ASN  91           HA       ASN  91  -7.342   4.257  -7.048
  701    HB2  ASN  91           1HB      ASN  91  -6.412   1.950  -7.114
  702    HB3  ASN  91           2HB      ASN  91  -5.332   3.166  -7.781
  703   HD21  ASN  91          1HD2      ASN  91  -5.025   0.444  -6.496
  704   HD22  ASN  91          2HD2      ASN  91  -3.779   0.669  -5.325
  705    HA   PRO  92           HA       PRO  92  -9.057   3.010  -2.964
  706    HB2  PRO  92           1HB      PRO  92 -11.534   4.231  -3.881
  707    HB3  PRO  92           2HB      PRO  92 -10.580   4.620  -2.453
  708    HG2  PRO  92           1HG      PRO  92 -10.841   6.274  -4.622
  709    HG3  PRO  92           2HG      PRO  92  -9.468   6.308  -3.504
  710    HD2  PRO  92           1HD      PRO  92  -9.670   5.117  -6.233
  711    HD3  PRO  92           2HD      PRO  92  -8.290   5.910  -5.447
  712    H    ALA  93           H        ALA  93 -10.573   3.167  -6.189
  713    HA   ALA  93           HA       ALA  93 -11.989   0.676  -5.713
  714    HB1  ALA  93           1HB      ALA  93 -13.117   2.472  -6.927
  715    HB2  ALA  93           2HB      ALA  93 -12.961   1.022  -7.918
  716    HB3  ALA  93           3HB      ALA  93 -11.888   2.395  -8.189
  717    H    ALA  94           H        ALA  94  -9.291   1.869  -7.637
  718    HA   ALA  94           HA       ALA  94  -8.927  -0.551  -9.116
  719    HB1  ALA  94           1HB      ALA  94  -7.170   1.861  -8.746
  720    HB2  ALA  94           2HB      ALA  94  -8.159   1.438 -10.139
  721    HB3  ALA  94           3HB      ALA  94  -6.731   0.482  -9.747
  722    H    ILE  95           H        ILE  95  -7.959   0.468  -5.939
  723    HA   ILE  95           HA       ILE  95  -5.821  -1.297  -5.570
  724    HB   ILE  95           HB       ILE  95  -6.744   0.312  -3.792
  725   HG12  ILE  95          1HG1      ILE  95  -5.793  -0.968  -2.008
  726   HG13  ILE  95          2HG1      ILE  95  -6.246  -2.496  -2.763
  727   HG21  ILE  95          1HG2      ILE  95  -9.064  -0.491  -3.845
  728   HG22  ILE  95          2HG2      ILE  95  -8.366  -0.556  -2.227
  729   HG23  ILE  95          3HG2      ILE  95  -8.527  -2.040  -3.178
  730   HD11  ILE  95          3HD1      ILE  95  -4.224  -0.596  -3.919
  731   HD12  ILE  95          1HD1      ILE  95  -4.566  -2.249  -4.425
  732   HD13  ILE  95          2HD1      ILE  95  -3.822  -1.944  -2.855
  733    H    LYS  96           H        LYS  96  -9.280  -1.749  -5.620
  734    HA   LYS  96           HA       LYS  96  -9.410  -4.393  -4.773
  735    HB2  LYS  96           1HB      LYS  96 -11.154  -2.700  -6.488
  736    HB3  LYS  96           2HB      LYS  96 -11.435  -4.435  -6.495
  737    HG2  LYS  96           1HG      LYS  96 -11.486  -2.619  -4.104
  738    HG3  LYS  96           2HG      LYS  96 -12.869  -3.388  -4.881
  739    HD2  LYS  96           1HD      LYS  96 -11.723  -5.601  -4.370
  740    HD3  LYS  96           2HD      LYS  96 -10.642  -4.678  -3.320
  741    HE2  LYS  96           1HE      LYS  96 -12.454  -5.619  -2.017
  742    HE3  LYS  96           2HE      LYS  96 -12.608  -3.863  -2.069
  743    HZ1  LYS  96           3HZ      LYS  96 -14.288  -4.084  -3.777
  744    HZ2  LYS  96           1HZ      LYS  96 -14.733  -4.982  -2.416
  745    HZ3  LYS  96           2HZ      LYS  96 -14.117  -5.763  -3.781
  746    H    GLN  97           H        GLN  97  -8.726  -3.040  -7.950
  747    HA   GLN  97           HA       GLN  97  -8.660  -5.324  -9.503
  748    HB2  GLN  97           1HB      GLN  97  -8.385  -3.101 -10.448
  749    HB3  GLN  97           2HB      GLN  97  -6.878  -2.874  -9.583
  750    HG2  GLN  97           1HG      GLN  97  -7.055  -5.161 -11.474
  751    HG3  GLN  97           2HG      GLN  97  -6.961  -3.537 -12.147
  752   HE21  GLN  97          1HE2      GLN  97  -5.257  -6.062 -10.512
  753   HE22  GLN  97          2HE2      GLN  97  -3.693  -5.312 -10.521
  754    H    ALA  98           H        ALA  98  -5.942  -3.866  -7.707
  755    HA   ALA  98           HA       ALA  98  -4.268  -6.155  -8.183
  756    HB1  ALA  98           1HB      ALA  98  -3.884  -3.840  -6.273
  757    HB2  ALA  98           2HB      ALA  98  -3.297  -3.911  -7.932
  758    HB3  ALA  98           3HB      ALA  98  -2.640  -5.011  -6.718
  759    H    ILE  99           H        ILE  99  -6.316  -5.083  -5.676
  760    HA   ILE  99           HA       ILE  99  -5.208  -6.697  -3.632
  761    HB   ILE  99           HB       ILE  99  -6.928  -4.532  -3.716
  762   HG12  ILE  99          1HG1      ILE  99  -5.313  -4.793  -2.025
  763   HG13  ILE  99          2HG1      ILE  99  -6.873  -4.835  -1.201
  764   HG21  ILE  99          1HG2      ILE  99  -8.445  -6.713  -2.340
  765   HG22  ILE  99          2HG2      ILE  99  -8.838  -6.126  -3.955
  766   HG23  ILE  99          3HG2      ILE  99  -8.912  -5.023  -2.576
  767   HD11  ILE  99          3HD1      ILE  99  -6.024  -6.674  -0.235
  768   HD12  ILE  99          1HD1      ILE  99  -4.879  -6.960  -1.552
  769   HD13  ILE  99          2HD1      ILE  99  -6.568  -7.442  -1.741
  770    H    ALA 100           H        ALA 100  -7.947  -7.074  -5.782
  771    HA   ALA 100           HA       ALA 100  -8.755  -9.466  -4.376
  772    HB1  ALA 100           1HB      ALA 100  -9.946  -8.215  -6.854
  773    HB2  ALA 100           2HB      ALA 100 -10.491  -7.949  -5.199
  774    HB3  ALA 100           3HB      ALA 100 -10.640  -9.547  -5.930
  775    H    ALA 101           H        ALA 101  -7.204  -8.541  -7.391
  776    HA   ALA 101           HA       ALA 101  -7.292 -11.137  -8.557
  777    HB1  ALA 101           1HB      ALA 101  -7.033  -9.110  -9.906
  778    HB2  ALA 101           2HB      ALA 101  -5.731 -10.263 -10.197
  779    HB3  ALA 101           3HB      ALA 101  -5.444  -8.844  -9.192
  780    H    ASN 102           H        ASN 102  -4.972  -9.436  -6.499
  781    HA   ASN 102           HA       ASN 102  -3.166 -11.742  -6.776
  782    HB2  ASN 102           1HB      ASN 102  -2.693  -9.066  -5.472
  783    HB3  ASN 102           2HB      ASN 102  -1.500 -10.359  -5.592
  784   HD21  ASN 102          1HD2      ASN 102  -3.159  -7.855  -7.222
  785   HD22  ASN 102          2HD2      ASN 102  -2.302  -7.954  -8.728
  786    H    ALA 103           H        ALA 103  -4.243  -9.755  -3.988
  787    HA   ALA 103           HA       ALA 103  -3.821 -11.768  -2.063
  788    HB1  ALA 103           1HB      ALA 103  -5.166 -10.464  -0.554
  789    HB2  ALA 103           2HB      ALA 103  -5.920  -9.610  -1.896
  790    HB3  ALA 103           3HB      ALA 103  -4.221  -9.347  -1.540
  Start of MODEL   15
    1    H1   MET   1           1H       MET   1  -9.125  -1.767   9.003
    2    H2   MET   1           2H       MET   1 -10.045  -1.226  10.317
    3    H3   MET   1           3H       MET   1  -8.797  -2.338  10.561
    4    HA   MET   1           HA       MET   1  -8.446   0.440   9.610
    5    HB2  MET   1           1HB      MET   1  -9.121   0.374  11.961
    6    HB3  MET   1           2HB      MET   1  -7.884  -0.826  12.302
    7    HG2  MET   1           1HG      MET   1  -6.146   0.797  11.773
    8    HG3  MET   1           2HG      MET   1  -7.377   2.000  11.397
    9    HE1  MET   1           3HE      MET   1  -8.983   2.722  14.855
   10    HE2  MET   1           1HE      MET   1  -9.556   1.566  13.653
   11    HE3  MET   1           2HE      MET   1  -8.934   3.135  13.142
   12    H    VAL   2           H        VAL   2  -6.463   0.866   8.772
   13    HA   VAL   2           HA       VAL   2  -4.719  -1.459   8.508
   14    HB   VAL   2           HB       VAL   2  -4.515  -0.937   6.365
   15   HG11  VAL   2          1HG1      VAL   2  -6.795  -0.099   6.580
   16   HG12  VAL   2          2HG1      VAL   2  -5.893   0.756   5.330
   17   HG13  VAL   2          3HG1      VAL   2  -6.169   1.518   6.897
   18   HG21  VAL   2          3HG2      VAL   2  -3.319   0.929   5.588
   19   HG22  VAL   2          1HG2      VAL   2  -2.641   0.535   7.160
   20   HG23  VAL   2          2HG2      VAL   2  -3.751   1.897   6.995
   21    H    THR   3           H        THR   3  -2.546  -1.400   8.801
   22    HA   THR   3           HA       THR   3  -1.751   0.296  10.998
   23    HB   THR   3           HB       THR   3  -0.954  -2.284   9.864
   24    HG1  THR   3           1HG      THR   3  -1.455  -1.114  12.295
   25   HG21  THR   3          3HG2      THR   3   1.122  -1.062   9.403
   26   HG22  THR   3          1HG2      THR   3   1.344  -2.251  10.695
   27   HG23  THR   3          2HG2      THR   3   1.185  -0.540  11.091
   28    H    GLN   4           H        GLN   4  -0.098   1.671  11.058
   29    HA   GLN   4           HA       GLN   4   1.094   2.514   8.516
   30    HB2  GLN   4           1HB      GLN   4   1.797   4.525  10.002
   31    HB3  GLN   4           2HB      GLN   4   0.116   4.395   9.504
   32    HG2  GLN   4           1HG      GLN   4  -0.457   4.574  11.630
   33    HG3  GLN   4           2HG      GLN   4   0.255   2.987  11.903
   34   HE21  GLN   4          1HE2      GLN   4   2.984   4.082  11.325
   35   HE22  GLN   4          2HE2      GLN   4   3.424   4.944  12.758
   36    H    PHE   5           H        PHE   5   3.140   1.895   8.126
   37    HA   PHE   5           HA       PHE   5   4.718   0.675  10.198
   38    HB2  PHE   5           1HB      PHE   5   5.244   1.300   7.307
   39    HB3  PHE   5           2HB      PHE   5   6.541   0.760   8.360
   40    HD1  PHE   5           2HD      PHE   5   4.886  -1.234   9.978
   41    HD2  PHE   5           1HD      PHE   5   5.209  -0.466   5.807
   42    HE1  PHE   5           2HE      PHE   5   4.293  -3.573   9.506
   43    HE2  PHE   5           1HE      PHE   5   4.631  -2.801   5.325
   44    HZ   PHE   5           HZ       PHE   5   4.164  -4.362   7.178
   45    H    LYS   6           H        LYS   6   6.994   1.378  10.560
   46    HA   LYS   6           HA       LYS   6   7.074   4.308  10.841
   47    HB2  LYS   6           1HB      LYS   6   8.282   4.000  12.900
   48    HB3  LYS   6           2HB      LYS   6   6.811   3.038  12.955
   49    HG2  LYS   6           1HG      LYS   6   8.313   1.102  12.132
   50    HG3  LYS   6           2HG      LYS   6   9.645   2.135  12.662
   51    HD2  LYS   6           1HD      LYS   6   8.590   2.290  14.899
   52    HD3  LYS   6           2HD      LYS   6   7.359   1.149  14.362
   53    HE2  LYS   6           1HE      LYS   6   9.116  -0.518  13.935
   54    HE3  LYS   6           2HE      LYS   6  10.324   0.626  14.517
   55    HZ1  LYS   6           3HZ      LYS   6   9.196   0.629  16.673
   56    HZ2  LYS   6           1HZ      LYS   6   9.730  -0.920  16.251
   57    HZ3  LYS   6           2HZ      LYS   6   8.093  -0.521  16.105
   58    H    THR   7           H        THR   7   8.849   1.452   9.902
   59    HA   THR   7           HA       THR   7  11.008   3.180   8.960
   60    HB   THR   7           HB       THR   7  12.561   1.234   9.315
   61    HG1  THR   7           1HG      THR   7  11.869  -0.201  11.018
   62   HG21  THR   7          3HG2      THR   7  12.656   3.229  10.702
   63   HG22  THR   7          1HG2      THR   7  12.947   1.790  11.678
   64   HG23  THR   7          2HG2      THR   7  11.378   2.591  11.735
   65    H    ALA   8           H        ALA   8  11.877   2.809   7.017
   66    HA   ALA   8           HA       ALA   8  10.531   1.495   4.974
   67    HB1  ALA   8           1HB      ALA   8  13.521   1.886   5.216
   68    HB2  ALA   8           2HB      ALA   8  12.386   3.109   4.653
   69    HB3  ALA   8           3HB      ALA   8  12.615   1.624   3.727
   70    H    SER   9           H        SER   9  13.016   0.415   7.201
   71    HA   SER   9           HA       SER   9  13.550  -2.084   6.101
   72    HB2  SER   9           1HB      SER   9  13.719  -1.271   9.003
   73    HB3  SER   9           2HB      SER   9  14.574  -2.613   8.240
   74    HG   SER   9           HG       SER   9  15.328  -0.758   6.760
   75    H    GLU  10           H        GLU  10  10.996  -1.106   8.436
   76    HA   GLU  10           HA       GLU  10  10.348  -3.917   8.753
   77    HB2  GLU  10           1HB      GLU  10   8.553  -3.276  10.233
   78    HB3  GLU  10           2HB      GLU  10  10.048  -2.485  10.687
   79    HG2  GLU  10           1HG      GLU  10   9.281  -0.388   9.943
   80    HG3  GLU  10           2HG      GLU  10   7.914  -1.111   9.086
   81    H    PHE  11           H        PHE  11   9.331  -1.311   6.753
   82    HA   PHE  11           HA       PHE  11   7.050  -2.574   5.617
   83    HB2  PHE  11           1HB      PHE  11   7.175  -0.357   5.026
   84    HB3  PHE  11           2HB      PHE  11   8.924  -0.383   4.819
   85    HD1  PHE  11           2HD      PHE  11   5.694  -1.071   3.248
   86    HD2  PHE  11           1HD      PHE  11   9.902  -0.963   2.698
   87    HE1  PHE  11           2HE      PHE  11   5.368  -1.219   0.816
   88    HE2  PHE  11           1HE      PHE  11   9.586  -1.109   0.260
   89    HZ   PHE  11           HZ       PHE  11   7.319  -1.238  -0.682
   90    H    ASP  12           H        ASP  12  10.493  -2.516   4.721
   91    HA   ASP  12           HA       ASP  12  10.381  -4.223   2.529
   92    HB2  ASP  12           1HB      ASP  12  12.515  -3.435   4.466
   93    HB3  ASP  12           2HB      ASP  12  12.827  -4.738   3.335
   94    H    SER  13           H        SER  13  10.664  -4.921   5.968
   95    HA   SER  13           HA       SER  13  11.226  -7.673   5.690
   96    HB2  SER  13           1HB      SER  13  11.611  -6.311   7.764
   97    HB3  SER  13           2HB      SER  13   9.869  -6.312   8.029
   98    HG   SER  13           HG       SER  13  11.621  -8.543   7.985
   99    H    ALA  14           H        ALA  14   8.193  -5.872   5.966
  100    HA   ALA  14           HA       ALA  14   6.514  -8.145   6.160
  101    HB1  ALA  14           1HB      ALA  14   5.667  -5.972   6.773
  102    HB2  ALA  14           2HB      ALA  14   4.710  -6.604   5.429
  103    HB3  ALA  14           3HB      ALA  14   5.933  -5.369   5.137
  104    H    ILE  15           H        ILE  15   7.518  -6.144   3.405
  105    HA   ILE  15           HA       ILE  15   5.950  -7.575   1.522
  106    HB   ILE  15           HB       ILE  15   7.150  -6.313  -0.185
  107   HG12  ILE  15          1HG1      ILE  15   8.792  -5.100   2.022
  108   HG13  ILE  15          2HG1      ILE  15   9.367  -6.471   1.086
  109   HG21  ILE  15          1HG2      ILE  15   6.438  -4.642   2.224
  110   HG22  ILE  15          2HG2      ILE  15   5.310  -5.240   1.008
  111   HG23  ILE  15          3HG2      ILE  15   6.543  -4.062   0.561
  112   HD11  ILE  15          3HD1      ILE  15   9.180  -5.133  -0.954
  113   HD12  ILE  15          1HD1      ILE  15  10.267  -4.401   0.226
  114   HD13  ILE  15          2HD1      ILE  15   8.638  -3.760   0.011
  115    H    ALA  16           H        ALA  16   8.920  -8.288   3.026
  116    HA   ALA  16           HA       ALA  16  10.004  -9.810   0.809
  117    HB1  ALA  16           1HB      ALA  16  11.830 -10.331   2.299
  118    HB2  ALA  16           2HB      ALA  16  10.932  -9.676   3.667
  119    HB3  ALA  16           3HB      ALA  16  11.475  -8.603   2.373
  120    H    GLN  17           H        GLN  17   7.637 -10.347   3.047
  121    HA   GLN  17           HA       GLN  17   8.253 -13.147   3.495
  122    HB2  GLN  17           1HB      GLN  17   5.902 -11.450   4.356
  123    HB3  GLN  17           2HB      GLN  17   6.122 -13.139   4.794
  124    HG2  GLN  17           1HG      GLN  17   8.143 -12.607   5.994
  125    HG3  GLN  17           2HG      GLN  17   8.035 -10.923   5.484
  126   HE21  GLN  17          1HE2      GLN  17   7.969 -10.166   7.571
  127   HE22  GLN  17          2HE2      GLN  17   6.589 -10.357   8.594
  128    H    ASP  18           H        ASP  18   6.547 -14.787   3.027
  129    HA   ASP  18           HA       ASP  18   5.891 -14.645   0.233
  130    HB2  ASP  18           1HB      ASP  18   5.333 -16.790   2.290
  131    HB3  ASP  18           2HB      ASP  18   5.033 -16.959   0.567
  132    H    LYS  19           H        LYS  19   4.454 -12.858   2.065
  133    HA   LYS  19           HA       LYS  19   1.700 -13.778   1.791
  134    HB2  LYS  19           1HB      LYS  19   3.049 -11.837   3.601
  135    HB3  LYS  19           2HB      LYS  19   1.314 -11.783   3.310
  136    HG2  LYS  19           1HG      LYS  19   1.271 -14.189   3.873
  137    HG3  LYS  19           2HG      LYS  19   2.909 -14.003   4.504
  138    HD2  LYS  19           1HD      LYS  19   1.491 -13.723   6.375
  139    HD3  LYS  19           2HD      LYS  19   1.972 -12.091   5.906
  140    HE2  LYS  19           1HE      LYS  19  -0.326 -11.905   6.251
  141    HE3  LYS  19           2HE      LYS  19  -0.173 -12.080   4.502
  142    HZ1  LYS  19           3HZ      LYS  19  -0.663 -14.457   4.770
  143    HZ2  LYS  19           1HZ      LYS  19  -1.935 -13.477   5.302
  144    HZ3  LYS  19           2HZ      LYS  19  -0.909 -14.221   6.424
  145    H    LEU  20           H        LEU  20   0.177 -11.941   1.670
  146    HA   LEU  20           HA       LEU  20   0.916 -10.164  -0.551
  147    HB2  LEU  20           1HB      LEU  20  -1.244 -11.516  -0.550
  148    HB3  LEU  20           2HB      LEU  20  -1.801 -10.492   0.751
  149    HG   LEU  20           HG       LEU  20  -2.792  -9.757  -1.299
  150   HD11  LEU  20          1HD1      LEU  20  -2.271  -7.959   0.193
  151   HD12  LEU  20          2HD1      LEU  20  -2.030  -7.433  -1.473
  152   HD13  LEU  20          3HD1      LEU  20  -0.637  -7.836  -0.464
  153   HD21  LEU  20          3HD2      LEU  20  -1.560  -9.065  -3.238
  154   HD22  LEU  20          1HD2      LEU  20  -1.130 -10.726  -2.823
  155   HD23  LEU  20          2HD2      LEU  20  -0.030  -9.408  -2.423
  156    H    VAL  21           H        VAL  21   2.008  -8.452   0.224
  157    HA   VAL  21           HA       VAL  21   0.809  -7.053   2.518
  158    HB   VAL  21           HB       VAL  21   3.697  -7.010   1.597
  159   HG11  VAL  21          1HG1      VAL  21   4.105  -5.521   3.495
  160   HG12  VAL  21          2HG1      VAL  21   2.378  -5.501   3.855
  161   HG13  VAL  21          3HG1      VAL  21   2.971  -4.791   2.351
  162   HG21  VAL  21          3HG2      VAL  21   3.032  -9.019   2.842
  163   HG22  VAL  21          1HG2      VAL  21   2.426  -8.005   4.151
  164   HG23  VAL  21          2HG2      VAL  21   4.149  -8.019   3.771
  165    H    VAL  22           H        VAL  22  -0.464  -5.512   1.766
  166    HA   VAL  22           HA       VAL  22   0.558  -3.831  -0.392
  167    HB   VAL  22           HB       VAL  22  -1.477  -4.332  -1.204
  168   HG11  VAL  22          1HG1      VAL  22  -2.566  -4.541   1.586
  169   HG12  VAL  22          2HG1      VAL  22  -2.105  -5.872   0.521
  170   HG13  VAL  22          3HG1      VAL  22  -3.475  -4.846   0.103
  171   HG21  VAL  22          3HG2      VAL  22  -1.540  -1.930  -0.935
  172   HG22  VAL  22          1HG2      VAL  22  -2.217  -2.106   0.684
  173   HG23  VAL  22          2HG2      VAL  22  -3.157  -2.604  -0.722
  174    H    VAL  23           H        VAL  23   1.737  -2.267   0.379
  175    HA   VAL  23           HA       VAL  23   0.720  -0.669   2.642
  176    HB   VAL  23           HB       VAL  23   3.487  -0.591   1.429
  177   HG11  VAL  23          1HG1      VAL  23   2.388   0.521   4.007
  178   HG12  VAL  23          2HG1      VAL  23   2.877   1.446   2.587
  179   HG13  VAL  23          3HG1      VAL  23   4.082   0.560   3.522
  180   HG21  VAL  23          3HG2      VAL  23   2.383  -2.253   3.656
  181   HG22  VAL  23          1HG2      VAL  23   4.075  -1.757   3.669
  182   HG23  VAL  23          2HG2      VAL  23   3.446  -2.724   2.335
  183    H    ALA  24           H        ALA  24   0.045   1.406   2.236
  184    HA   ALA  24           HA       ALA  24   0.546   2.482  -0.452
  185    HB1  ALA  24           1HB      ALA  24  -1.847   2.104   0.415
  186    HB2  ALA  24           2HB      ALA  24  -1.458   3.609  -0.411
  187    HB3  ALA  24           3HB      ALA  24  -1.557   3.575   1.347
  188    H    PHE  25           H        PHE  25   1.856   3.999  -0.731
  189    HA   PHE  25           HA       PHE  25   3.001   5.478   1.425
  190    HB2  PHE  25           1HB      PHE  25   3.222   5.745  -1.574
  191    HB3  PHE  25           2HB      PHE  25   4.177   6.689  -0.434
  192    HD1  PHE  25           2HD      PHE  25   3.476   3.245  -1.602
  193    HD2  PHE  25           1HD      PHE  25   6.140   5.802   0.515
  194    HE1  PHE  25           2HE      PHE  25   5.152   1.444  -1.544
  195    HE2  PHE  25           1HE      PHE  25   7.824   4.004   0.567
  196    HZ   PHE  25           HZ       PHE  25   7.327   1.824  -0.458
  197    H    TYR  26           H        TYR  26   2.384   7.347   2.229
  198    HA   TYR  26           HA       TYR  26   0.197   8.851   0.935
  199    HB2  TYR  26           1HB      TYR  26   0.663   7.934   3.724
  200    HB3  TYR  26           2HB      TYR  26   0.006   9.552   3.538
  201    HD1  TYR  26           1HD      TYR  26  -0.727   6.522   1.497
  202    HD2  TYR  26           2HD      TYR  26  -2.125   9.334   4.363
  203    HE1  TYR  26           1HE      TYR  26  -2.981   5.555   1.347
  204    HE2  TYR  26           2HE      TYR  26  -4.377   8.378   4.220
  205    HH   TYR  26           HH       TYR  26  -5.710   7.085   2.563
  206    H    ALA  27           H        ALA  27   0.100  11.049   2.338
  207    HA   ALA  27           HA       ALA  27   2.653  12.051   3.168
  208    HB1  ALA  27           1HB      ALA  27   2.815  12.432   0.748
  209    HB2  ALA  27           2HB      ALA  27   2.690  13.962   1.619
  210    HB3  ALA  27           3HB      ALA  27   1.283  13.307   0.777
  211    H    THR  28           H        THR  28   2.376  14.326   3.991
  212    HA   THR  28           HA       THR  28  -0.078  14.527   5.471
  213    HB   THR  28           HB       THR  28   1.120  16.736   6.214
  214    HG1  THR  28           1HG      THR  28   3.369  16.644   5.850
  215   HG21  THR  28          3HG2      THR  28   2.242  14.002   6.843
  216   HG22  THR  28          1HG2      THR  28   0.878  14.779   7.647
  217   HG23  THR  28          2HG2      THR  28   2.498  15.456   7.808
  218    H    TRP  29           H        TRP  29   0.742  15.372   2.408
  219    HA   TRP  29           HA       TRP  29  -1.133  17.617   2.351
  220    HB2  TRP  29           1HB      TRP  29   0.485  18.461   0.440
  221    HB3  TRP  29           2HB      TRP  29   0.799  18.839   2.129
  222    HD1  TRP  29           HD       TRP  29   2.899  17.729   3.269
  223    HE1  TRP  29           1HE      TRP  29   4.967  16.506   2.340
  224    HE3  TRP  29           3HE      TRP  29   1.242  16.836  -1.483
  225    HZ2  TRP  29           2HZ      TRP  29   5.777  15.318  -0.085
  226    HZ3  TRP  29           3HZ      TRP  29   2.725  15.651  -3.043
  227    HH2  TRP  29           HH       TRP  29   4.946  14.908  -2.358
  228    H    CYS  30           H        CYS  30  -2.186  15.251   1.730
  229    HA   CYS  30           HA       CYS  30  -2.553  15.513  -1.141
  230    HB2  CYS  30           1HB      CYS  30  -2.420  13.008  -1.420
  231    HB3  CYS  30           2HB      CYS  30  -0.890  13.840  -1.165
  232    H    GLY  31           H        GLY  31  -4.597  15.779  -1.449
  233    HA2  GLY  31           1HA      GLY  31  -6.657  15.025   0.325
  234    HA3  GLY  31           2HA      GLY  31  -6.865  15.577  -1.325
  235    HA   PRO  32           HA       PRO  32  -7.554  11.438  -2.882
  236    HB2  PRO  32           1HB      PRO  32  -4.773  10.610  -3.471
  237    HB3  PRO  32           2HB      PRO  32  -6.178  10.678  -4.538
  238    HG2  PRO  32           1HG      PRO  32  -4.235  12.470  -4.760
  239    HG3  PRO  32           2HG      PRO  32  -5.935  12.952  -4.929
  240    HD2  PRO  32           1HD      PRO  32  -4.107  13.248  -2.568
  241    HD3  PRO  32           2HD      PRO  32  -5.242  14.422  -3.253
  242    H    CYS  33           H        CYS  33  -4.612  11.453  -0.932
  243    HA   CYS  33           HA       CYS  33  -4.684   8.876   0.110
  244    HB2  CYS  33           1HB      CYS  33  -3.915  11.400   1.587
  245    HB3  CYS  33           2HB      CYS  33  -3.391   9.761   1.966
  246    H    LYS  34           H        LYS  34  -6.474  11.751   1.037
  247    HA   LYS  34           HA       LYS  34  -7.603  10.709   3.389
  248    HB2  LYS  34           1HB      LYS  34  -7.593  13.095   2.917
  249    HB3  LYS  34           2HB      LYS  34  -8.635  12.849   1.523
  250    HG2  LYS  34           1HG      LYS  34  -9.918  13.707   3.368
  251    HG3  LYS  34           2HG      LYS  34 -10.413  12.049   3.019
  252    HD2  LYS  34           1HD      LYS  34  -8.963  11.267   4.860
  253    HD3  LYS  34           2HD      LYS  34  -8.571  12.946   5.234
  254    HE2  LYS  34           1HE      LYS  34 -11.296  11.660   5.346
  255    HE3  LYS  34           2HE      LYS  34 -10.305  12.146   6.721
  256    HZ1  LYS  34           3HZ      LYS  34 -10.470  14.455   5.911
  257    HZ2  LYS  34           1HZ      LYS  34 -11.972  13.794   6.326
  258    HZ3  LYS  34           2HZ      LYS  34 -11.534  13.939   4.701
  259    H    MET  35           H        MET  35  -8.987  10.932   0.083
  260    HA   MET  35           HA       MET  35 -11.472   9.822   0.775
  261    HB2  MET  35           1HB      MET  35 -11.837   9.481  -1.619
  262    HB3  MET  35           2HB      MET  35 -11.171  11.071  -1.285
  263    HG2  MET  35           1HG      MET  35  -8.961  10.263  -1.958
  264    HG3  MET  35           2HG      MET  35  -9.660   8.686  -2.304
  265    HE1  MET  35           3HE      MET  35 -10.612  12.536  -4.666
  266    HE2  MET  35           1HE      MET  35  -9.506  12.455  -3.296
  267    HE3  MET  35           2HE      MET  35 -11.241  12.252  -3.044
  268    H    ILE  36           H        ILE  36  -8.633   8.149  -0.628
  269    HA   ILE  36           HA       ILE  36 -10.062   5.671  -0.573
  270    HB   ILE  36           HB       ILE  36  -8.555   5.004  -2.034
  271   HG12  ILE  36          1HG1      ILE  36  -7.409   4.206   0.158
  272   HG13  ILE  36          2HG1      ILE  36  -6.550   4.091  -1.362
  273   HG21  ILE  36          1HG2      ILE  36  -6.689   6.404  -2.768
  274   HG22  ILE  36          2HG2      ILE  36  -6.955   7.462  -1.383
  275   HG23  ILE  36          3HG2      ILE  36  -8.197   7.305  -2.624
  276   HD11  ILE  36          3HD1      ILE  36  -5.297   6.106  -0.807
  277   HD12  ILE  36          1HD1      ILE  36  -5.120   4.874   0.446
  278   HD13  ILE  36          2HD1      ILE  36  -6.196   6.252   0.706
  279    H    ALA  37           H        ALA  37  -8.364   7.485   1.729
  280    HA   ALA  37           HA       ALA  37  -7.233   5.500   3.305
  281    HB1  ALA  37           1HB      ALA  37  -6.835   7.914   3.584
  282    HB2  ALA  37           2HB      ALA  37  -7.191   7.076   5.103
  283    HB3  ALA  37           3HB      ALA  37  -8.430   8.062   4.332
  284    HA   PRO  38           HA       PRO  38 -11.408   4.770   5.528
  285    HB2  PRO  38           1HB      PRO  38 -13.473   5.966   3.827
  286    HB3  PRO  38           2HB      PRO  38 -13.259   6.084   5.576
  287    HG2  PRO  38           1HG      PRO  38 -12.816   8.171   3.946
  288    HG3  PRO  38           2HG      PRO  38 -11.861   7.903   5.417
  289    HD2  PRO  38           1HD      PRO  38 -11.171   7.267   2.569
  290    HD3  PRO  38           2HD      PRO  38 -10.171   8.014   3.826
  291    H    MET  39           H        MET  39 -11.400   5.078   1.970
  292    HA   MET  39           HA       MET  39 -13.074   2.841   1.513
  293    HB2  MET  39           1HB      MET  39 -10.929   4.012  -0.239
  294    HB3  MET  39           2HB      MET  39 -12.055   2.775  -0.764
  295    HG2  MET  39           1HG      MET  39 -12.740   5.568   0.126
  296    HG3  MET  39           2HG      MET  39 -12.784   4.945  -1.521
  297    HE1  MET  39           3HE      MET  39 -15.737   2.368  -1.330
  298    HE2  MET  39           1HE      MET  39 -14.038   2.005  -1.022
  299    HE3  MET  39           2HE      MET  39 -14.484   3.080  -2.346
  300    H    ILE  40           H        ILE  40  -9.472   2.912   1.214
  301    HA   ILE  40           HA       ILE  40  -9.327   0.089   1.154
  302    HB   ILE  40           HB       ILE  40  -7.307   2.265   1.567
  303   HG12  ILE  40          1HG1      ILE  40  -7.677   0.141  -0.553
  304   HG13  ILE  40          2HG1      ILE  40  -8.348   1.763  -0.646
  305   HG21  ILE  40          1HG2      ILE  40  -5.524   0.573   1.500
  306   HG22  ILE  40          2HG2      ILE  40  -6.742  -0.696   1.648
  307   HG23  ILE  40          3HG2      ILE  40  -6.508   0.460   2.962
  308   HD11  ILE  40          3HD1      ILE  40  -5.502   0.895  -0.813
  309   HD12  ILE  40          1HD1      ILE  40  -5.942   2.554  -0.404
  310   HD13  ILE  40          2HD1      ILE  40  -6.457   1.864  -1.943
  311    H    GLU  41           H        GLU  41  -9.611   2.320   3.795
  312    HA   GLU  41           HA       GLU  41  -8.920   0.542   5.872
  313    HB2  GLU  41           1HB      GLU  41  -9.404   2.971   6.187
  314    HB3  GLU  41           2HB      GLU  41 -11.105   2.631   5.911
  315    HG2  GLU  41           1HG      GLU  41 -11.202   1.260   7.883
  316    HG3  GLU  41           2HG      GLU  41  -9.467   1.438   8.130
  317    H    LYS  42           H        LYS  42 -11.971   1.081   4.110
  318    HA   LYS  42           HA       LYS  42 -13.416  -0.908   5.490
  319    HB2  LYS  42           1HB      LYS  42 -14.440   0.819   3.995
  320    HB3  LYS  42           2HB      LYS  42 -13.777  -0.039   2.612
  321    HG2  LYS  42           1HG      LYS  42 -15.122  -2.030   3.880
  322    HG3  LYS  42           2HG      LYS  42 -16.127  -0.629   4.258
  323    HD2  LYS  42           1HD      LYS  42 -16.027  -0.078   1.782
  324    HD3  LYS  42           2HD      LYS  42 -15.346  -1.693   1.560
  325    HE2  LYS  42           1HE      LYS  42 -18.024  -1.054   2.799
  326    HE3  LYS  42           2HE      LYS  42 -17.763  -1.673   1.172
  327    HZ1  LYS  42           3HZ      LYS  42 -16.757  -3.666   2.169
  328    HZ2  LYS  42           1HZ      LYS  42 -18.374  -3.458   2.627
  329    HZ3  LYS  42           2HZ      LYS  42 -17.138  -3.075   3.713
  330    H    PHE  43           H        PHE  43 -11.335  -0.973   2.659
  331    HA   PHE  43           HA       PHE  43 -11.812  -3.729   2.183
  332    HB2  PHE  43           1HB      PHE  43  -9.601  -1.999   1.111
  333    HB3  PHE  43           2HB      PHE  43 -10.005  -3.626   0.577
  334    HD1  PHE  43           1HD      PHE  43 -13.047  -2.327   1.349
  335    HD2  PHE  43           2HD      PHE  43  -9.956  -1.893  -1.580
  336    HE1  PHE  43           1HE      PHE  43 -14.667  -1.354  -0.243
  337    HE2  PHE  43           2HE      PHE  43 -11.578  -0.909  -3.137
  338    HZ   PHE  43           HZ       PHE  43 -13.929  -0.648  -2.478
  339    H    SER  44           H        SER  44  -9.876  -2.067   4.438
  340    HA   SER  44           HA       SER  44  -7.965  -4.161   4.781
  341    HB2  SER  44           1HB      SER  44  -7.165  -2.953   6.634
  342    HB3  SER  44           2HB      SER  44  -7.684  -1.699   5.530
  343    HG   SER  44           HG       SER  44  -9.725  -1.778   6.795
  344    H    GLU  45           H        GLU  45 -11.198  -3.488   5.593
  345    HA   GLU  45           HA       GLU  45 -11.369  -5.626   7.555
  346    HB2  GLU  45           1HB      GLU  45 -13.571  -4.120   6.123
  347    HB3  GLU  45           2HB      GLU  45 -13.786  -5.206   7.489
  348    HG2  GLU  45           1HG      GLU  45 -12.311  -2.583   7.506
  349    HG3  GLU  45           2HG      GLU  45 -13.896  -2.904   8.208
  350    H    GLN  46           H        GLN  46 -11.470  -5.174   4.159
  351    HA   GLN  46           HA       GLN  46 -12.853  -7.689   3.720
  352    HB2  GLN  46           1HB      GLN  46 -11.847  -5.877   1.555
  353    HB3  GLN  46           2HB      GLN  46 -13.128  -7.073   1.459
  354    HG2  GLN  46           1HG      GLN  46 -14.402  -5.622   3.095
  355    HG3  GLN  46           2HG      GLN  46 -13.189  -4.396   2.805
  356   HE21  GLN  46          1HE2      GLN  46 -12.919  -5.286  -0.022
  357   HE22  GLN  46          2HE2      GLN  46 -14.309  -4.641  -0.821
  358    H    TYR  47           H        TYR  47  -9.757  -7.011   4.324
  359    HA   TYR  47           HA       TYR  47  -8.832  -9.150   2.497
  360    HB2  TYR  47           1HB      TYR  47  -6.987  -7.597   4.310
  361    HB3  TYR  47           2HB      TYR  47  -6.566  -8.595   2.924
  362    HD1  TYR  47           1HD      TYR  47  -8.867  -7.331   1.188
  363    HD2  TYR  47           2HD      TYR  47  -5.665  -5.762   3.510
  364    HE1  TYR  47           1HE      TYR  47  -8.851  -5.305  -0.217
  365    HE2  TYR  47           2HE      TYR  47  -5.651  -3.724   2.120
  366    HH   TYR  47           HH       TYR  47  -6.343  -3.011  -0.112
  367    HA   PRO  48           HA       PRO  48  -9.447 -11.544   6.276
  368    HB2  PRO  48           1HB      PRO  48  -9.475 -13.851   4.501
  369    HB3  PRO  48           2HB      PRO  48 -10.772 -13.218   5.515
  370    HG2  PRO  48           1HG      PRO  48 -10.821 -13.104   2.803
  371    HG3  PRO  48           2HG      PRO  48 -11.618 -11.907   3.837
  372    HD2  PRO  48           1HD      PRO  48  -9.002 -11.726   2.395
  373    HD3  PRO  48           2HD      PRO  48 -10.263 -10.491   2.607
  374    H    GLN  49           H        GLN  49  -7.342 -12.475   3.554
  375    HA   GLN  49           HA       GLN  49  -5.600 -13.833   5.495
  376    HB2  GLN  49           1HB      GLN  49  -5.051 -15.424   3.913
  377    HB3  GLN  49           2HB      GLN  49  -6.704 -15.054   3.475
  378    HG2  GLN  49           1HG      GLN  49  -4.303 -13.889   2.150
  379    HG3  GLN  49           2HG      GLN  49  -5.244 -15.253   1.549
  380   HE21  GLN  49          1HE2      GLN  49  -4.708 -12.685   0.423
  381   HE22  GLN  49          2HE2      GLN  49  -6.231 -11.960   0.058
  382    H    ALA  50           H        ALA  50  -5.766 -11.091   3.589
  383    HA   ALA  50           HA       ALA  50  -2.879 -10.981   3.140
  384    HB1  ALA  50           1HB      ALA  50  -4.230 -10.686   1.138
  385    HB2  ALA  50           2HB      ALA  50  -3.384  -9.190   1.536
  386    HB3  ALA  50           3HB      ALA  50  -5.100  -9.357   1.901
  387    H    ASP  51           H        ASP  51  -1.935  -8.785   3.373
  388    HA   ASP  51           HA       ASP  51  -2.995  -7.611   5.840
  389    HB2  ASP  51           1HB      ASP  51  -0.272  -8.495   5.119
  390    HB3  ASP  51           2HB      ASP  51  -0.366  -6.969   5.996
  391    H    PHE  52           H        PHE  52  -3.102  -5.565   6.145
  392    HA   PHE  52           HA       PHE  52  -2.826  -3.846   3.783
  393    HB2  PHE  52           1HB      PHE  52  -4.783  -2.645   5.104
  394    HB3  PHE  52           2HB      PHE  52  -5.110  -4.047   4.087
  395    HD1  PHE  52           2HD      PHE  52  -5.475  -6.296   5.160
  396    HD2  PHE  52           1HD      PHE  52  -5.063  -2.747   7.441
  397    HE1  PHE  52           2HE      PHE  52  -6.444  -7.441   7.099
  398    HE2  PHE  52           1HE      PHE  52  -6.023  -3.881   9.395
  399    HZ   PHE  52           HZ       PHE  52  -6.718  -6.234   9.225
  400    H    TYR  53           H        TYR  53  -1.294  -2.326   4.037
  401    HA   TYR  53           HA       TYR  53  -1.167  -0.922   6.622
  402    HB2  TYR  53           1HB      TYR  53   1.318  -1.539   5.024
  403    HB3  TYR  53           2HB      TYR  53   1.209  -0.916   6.671
  404    HD1  TYR  53           1HD      TYR  53   0.160  -2.504   8.425
  405    HD2  TYR  53           2HD      TYR  53   1.695  -3.821   4.697
  406    HE1  TYR  53           1HE      TYR  53   0.437  -4.761   9.352
  407    HE2  TYR  53           2HE      TYR  53   1.974  -6.089   5.611
  408    HH   TYR  53           HH       TYR  53   0.531  -7.178   8.326
  409    H    LYS  54           H        LYS  54  -0.313   1.270   6.436
  410    HA   LYS  54           HA       LYS  54   0.132   2.244   3.720
  411    HB2  LYS  54           1HB      LYS  54  -1.965   3.371   5.566
  412    HB3  LYS  54           2HB      LYS  54  -1.293   4.296   4.228
  413    HG2  LYS  54           1HG      LYS  54  -2.023   2.435   2.705
  414    HG3  LYS  54           2HG      LYS  54  -2.861   1.728   4.069
  415    HD2  LYS  54           1HD      LYS  54  -3.393   4.545   3.189
  416    HD3  LYS  54           2HD      LYS  54  -4.219   3.178   2.439
  417    HE2  LYS  54           1HE      LYS  54  -5.672   3.961   4.112
  418    HE3  LYS  54           2HE      LYS  54  -4.929   2.510   4.781
  419    HZ1  LYS  54           3HZ      LYS  54  -3.501   3.838   6.125
  420    HZ2  LYS  54           1HZ      LYS  54  -5.071   4.416   6.342
  421    HZ3  LYS  54           2HZ      LYS  54  -3.988   5.264   5.366
  422    H    LEU  55           H        LEU  55   1.795   3.598   3.563
  423    HA   LEU  55           HA       LEU  55   2.953   4.617   6.068
  424    HB2  LEU  55           1HB      LEU  55   4.110   3.710   3.500
  425    HB3  LEU  55           2HB      LEU  55   4.953   4.899   4.447
  426    HG   LEU  55           HG       LEU  55   4.048   2.247   5.514
  427   HD11  LEU  55          1HD1      LEU  55   6.687   3.142   4.431
  428   HD12  LEU  55          2HD1      LEU  55   5.689   1.795   3.890
  429   HD13  LEU  55          3HD1      LEU  55   6.484   1.731   5.463
  430   HD21  LEU  55          3HD2      LEU  55   5.942   3.043   7.174
  431   HD22  LEU  55          1HD2      LEU  55   4.261   3.542   7.365
  432   HD23  LEU  55          2HD2      LEU  55   5.420   4.627   6.610
  433    H    ASP  56           H        ASP  56   4.358   6.683   5.602
  434    HA   ASP  56           HA       ASP  56   3.014   8.496   3.716
  435    HB2  ASP  56           1HB      ASP  56   3.340  10.292   5.374
  436    HB3  ASP  56           2HB      ASP  56   2.239   9.056   5.957
  437    H    VAL  57           H        VAL  57   4.402   9.582   2.419
  438    HA   VAL  57           HA       VAL  57   7.152   8.834   2.395
  439    HB   VAL  57           HB       VAL  57   7.400  10.391   0.530
  440   HG11  VAL  57          1HG1      VAL  57   5.732   9.428  -0.987
  441   HG12  VAL  57          2HG1      VAL  57   4.826   8.828   0.403
  442   HG13  VAL  57          3HG1      VAL  57   6.445   8.211   0.072
  443   HG21  VAL  57          3HG2      VAL  57   5.611  11.834  -0.209
  444   HG22  VAL  57          1HG2      VAL  57   5.994  12.202   1.475
  445   HG23  VAL  57          2HG2      VAL  57   4.562  11.250   1.083
  446    H    ASP  58           H        ASP  58   5.533  11.096   4.224
  447    HA   ASP  58           HA       ASP  58   7.408  13.231   4.222
  448    HB2  ASP  58           1HB      ASP  58   5.105  13.590   4.881
  449    HB3  ASP  58           2HB      ASP  58   5.272  12.449   6.211
  450    H    GLU  59           H        GLU  59   6.854  10.440   6.354
  451    HA   GLU  59           HA       GLU  59   9.506  10.914   7.530
  452    HB2  GLU  59           1HB      GLU  59   7.384   8.904   8.295
  453    HB3  GLU  59           2HB      GLU  59   8.913   9.139   9.130
  454    HG2  GLU  59           1HG      GLU  59   8.147  11.553   9.457
  455    HG3  GLU  59           2HG      GLU  59   6.551  10.969   8.996
  456    H    LEU  60           H        LEU  60   7.772   8.833   5.398
  457    HA   LEU  60           HA       LEU  60   9.996   6.929   5.232
  458    HB2  LEU  60           1HB      LEU  60   7.138   6.855   4.289
  459    HB3  LEU  60           2HB      LEU  60   8.323   5.695   3.727
  460    HG   LEU  60           HG       LEU  60   6.964   4.724   5.470
  461   HD11  LEU  60          1HD1      LEU  60   9.729   5.340   6.531
  462   HD12  LEU  60          2HD1      LEU  60   9.348   4.078   5.360
  463   HD13  LEU  60          3HD1      LEU  60   8.703   3.985   7.004
  464   HD21  LEU  60          3HD2      LEU  60   7.001   5.598   7.770
  465   HD22  LEU  60          1HD2      LEU  60   6.274   6.739   6.638
  466   HD23  LEU  60          2HD2      LEU  60   7.920   6.998   7.217
  467    H    GLY  61           H        GLY  61  10.868   9.176   4.178
  468    HA2  GLY  61           1HA      GLY  61  10.009   9.586   1.465
  469    HA3  GLY  61           2HA      GLY  61  11.364  10.377   2.261
  470    H    ASP  62           H        ASP  62  12.827   8.112   3.020
  471    HA   ASP  62           HA       ASP  62  14.260   7.693   0.618
  472    HB2  ASP  62           1HB      ASP  62  15.248   7.677   2.935
  473    HB3  ASP  62           2HB      ASP  62  14.533   6.085   3.161
  474    H    VAL  63           H        VAL  63  12.161   5.538   2.533
  475    HA   VAL  63           HA       VAL  63  12.442   3.295   0.861
  476    HB   VAL  63           HB       VAL  63  11.419   3.011   3.045
  477   HG11  VAL  63          1HG1      VAL  63  10.306   5.117   3.292
  478   HG12  VAL  63          2HG1      VAL  63   9.177   3.779   3.531
  479   HG13  VAL  63          3HG1      VAL  63   9.165   4.687   2.015
  480   HG21  VAL  63          3HG2      VAL  63   9.478   2.448   0.827
  481   HG22  VAL  63          1HG2      VAL  63   9.437   1.709   2.428
  482   HG23  VAL  63          2HG2      VAL  63  10.800   1.401   1.349
  483    H    ALA  64           H        ALA  64  10.227   6.020   0.783
  484    HA   ALA  64           HA       ALA  64   8.606   5.257  -1.331
  485    HB1  ALA  64           1HB      ALA  64   8.139   7.622  -1.629
  486    HB2  ALA  64           2HB      ALA  64   9.563   8.039  -0.676
  487    HB3  ALA  64           3HB      ALA  64   8.202   7.216   0.086
  488    H    GLN  65           H        GLN  65  11.835   6.650  -1.337
  489    HA   GLN  65           HA       GLN  65  11.820   7.103  -4.172
  490    HB2  GLN  65           1HB      GLN  65  14.076   7.189  -2.158
  491    HB3  GLN  65           2HB      GLN  65  14.194   7.722  -3.835
  492    HG2  GLN  65           1HG      GLN  65  12.368   8.885  -1.746
  493    HG3  GLN  65           2HG      GLN  65  13.894   9.577  -2.272
  494   HE21  GLN  65          1HE2      GLN  65  12.919  11.471  -2.931
  495   HE22  GLN  65          2HE2      GLN  65  11.946  11.572  -4.355
  496    H    LYS  66           H        LYS  66  12.971   4.608  -1.986
  497    HA   LYS  66           HA       LYS  66  14.460   3.101  -3.792
  498    HB2  LYS  66           1HB      LYS  66  12.771   2.211  -1.461
  499    HB3  LYS  66           2HB      LYS  66  13.961   1.215  -2.275
  500    HG2  LYS  66           1HG      LYS  66  15.610   3.110  -1.645
  501    HG3  LYS  66           2HG      LYS  66  14.352   3.554  -0.486
  502    HD2  LYS  66           1HD      LYS  66  15.708   0.864  -0.688
  503    HD3  LYS  66           2HD      LYS  66  16.018   2.087   0.544
  504    HE2  LYS  66           1HE      LYS  66  13.840   1.837   1.458
  505    HE3  LYS  66           2HE      LYS  66  13.309   0.865   0.089
  506    HZ1  LYS  66           3HZ      LYS  66  14.950  -0.829   0.781
  507    HZ2  LYS  66           1HZ      LYS  66  13.733  -0.576   1.932
  508    HZ3  LYS  66           2HZ      LYS  66  15.278   0.082   2.164
  509    H    ASN  67           H        ASN  67  11.042   3.283  -3.126
  510    HA   ASN  67           HA       ASN  67  10.476   1.151  -5.037
  511    HB2  ASN  67           1HB      ASN  67   8.730   2.612  -3.053
  512    HB3  ASN  67           2HB      ASN  67   8.117   1.418  -4.192
  513   HD21  ASN  67          1HD2      ASN  67  10.150   1.943  -1.402
  514   HD22  ASN  67          2HD2      ASN  67  10.255   0.284  -0.917
  515    H    GLU  68           H        GLU  68  11.158   4.227  -5.344
  516    HA   GLU  68           HA       GLU  68  10.823   5.837  -6.894
  517    HB2  GLU  68           1HB      GLU  68   9.773   3.476  -8.451
  518    HB3  GLU  68           2HB      GLU  68  10.123   5.052  -9.150
  519    HG2  GLU  68           1HG      GLU  68  12.451   4.840  -8.601
  520    HG3  GLU  68           2HG      GLU  68  12.145   3.339  -7.727
  521    H    VAL  69           H        VAL  69   8.935   5.902  -4.992
  522    HA   VAL  69           HA       VAL  69   6.266   5.863  -5.981
  523    HB   VAL  69           HB       VAL  69   7.482   7.148  -3.535
  524   HG11  VAL  69          1HG1      VAL  69   5.471   8.380  -4.147
  525   HG12  VAL  69          2HG1      VAL  69   5.198   7.418  -2.694
  526   HG13  VAL  69          3HG1      VAL  69   4.564   6.872  -4.246
  527   HG21  VAL  69          3HG2      VAL  69   7.551   4.722  -3.561
  528   HG22  VAL  69          1HG2      VAL  69   5.823   4.661  -3.914
  529   HG23  VAL  69          2HG2      VAL  69   6.385   5.292  -2.366
  530    H    SER  70           H        SER  70   5.238   7.303  -7.166
  531    HA   SER  70           HA       SER  70   6.154  10.078  -7.201
  532    HB2  SER  70           1HB      SER  70   5.757   9.890  -9.793
  533    HB3  SER  70           2HB      SER  70   7.293   9.371  -9.097
  534    HG   SER  70           HG       SER  70   6.705   7.274  -9.313
  535    H    ALA  71           H        ALA  71   3.838   8.751  -6.034
  536    HA   ALA  71           HA       ALA  71   1.837  10.555  -7.029
  537    HB1  ALA  71           1HB      ALA  71   1.573   8.674  -8.593
  538    HB2  ALA  71           2HB      ALA  71   0.156   8.882  -7.563
  539    HB3  ALA  71           3HB      ALA  71   1.307   7.590  -7.227
  540    H    MET  72           H        MET  72   0.074  10.787  -5.576
  541    HA   MET  72           HA       MET  72   0.400   9.332  -3.032
  542    HB2  MET  72           1HB      MET  72  -0.953  11.983  -3.034
  543    HB3  MET  72           2HB      MET  72   0.002  11.220  -1.777
  544    HG2  MET  72           1HG      MET  72   1.305  13.009  -2.405
  545    HG3  MET  72           2HG      MET  72   2.005  11.682  -3.328
  546    HE1  MET  72           3HE      MET  72  -0.821  14.868  -5.143
  547    HE2  MET  72           1HE      MET  72  -0.389  14.787  -3.436
  548    HE3  MET  72           2HE      MET  72  -1.426  13.547  -4.143
  549    HA   PRO  73           HA       PRO  73  -0.312   7.956  -2.068
  550    HB2  PRO  73           1HB      PRO  73  -1.845   5.636  -1.883
  551    HB3  PRO  73           2HB      PRO  73  -1.809   6.947  -0.706
  552    HG2  PRO  73           1HG      PRO  73  -3.980   6.176  -2.355
  553    HG3  PRO  73           2HG      PRO  73  -3.891   7.582  -1.286
  554    HD2  PRO  73           1HD      PRO  73  -3.507   7.405  -4.217
  555    HD3  PRO  73           2HD      PRO  73  -4.064   8.769  -3.226
  556    H    THR  74           H        THR  74   0.779   5.798  -2.343
  557    HA   THR  74           HA       THR  74   0.499   4.768  -5.078
  558    HB   THR  74           HB       THR  74   3.039   4.873  -3.433
  559    HG1  THR  74           1HG      THR  74   2.210   6.854  -4.564
  560   HG21  THR  74          3HG2      THR  74   2.544   3.809  -6.216
  561   HG22  THR  74          1HG2      THR  74   2.954   2.855  -4.792
  562   HG23  THR  74          2HG2      THR  74   4.127   3.990  -5.461
  563    H    LEU  75           H        LEU  75  -0.356   2.805  -5.065
  564    HA   LEU  75           HA       LEU  75  -0.286   1.253  -2.582
  565    HB2  LEU  75           1HB      LEU  75  -2.194   1.529  -4.839
  566    HB3  LEU  75           2HB      LEU  75  -2.081  -0.029  -4.053
  567    HG   LEU  75           HG       LEU  75  -3.920   1.336  -3.159
  568   HD11  LEU  75          1HD1      LEU  75  -2.900  -0.313  -1.718
  569   HD12  LEU  75          2HD1      LEU  75  -3.366   1.106  -0.782
  570   HD13  LEU  75          3HD1      LEU  75  -1.677   0.849  -1.212
  571   HD21  LEU  75          3HD2      LEU  75  -1.718   3.225  -2.349
  572   HD22  LEU  75          1HD2      LEU  75  -3.381   3.306  -1.763
  573   HD23  LEU  75          2HD2      LEU  75  -3.036   3.547  -3.475
  574    H    LEU  76           H        LEU  76   1.324  -0.183  -2.590
  575    HA   LEU  76           HA       LEU  76   1.639  -1.805  -5.029
  576    HB2  LEU  76           1HB      LEU  76   3.870  -1.140  -3.101
  577    HB3  LEU  76           2HB      LEU  76   4.010  -1.933  -4.656
  578    HG   LEU  76           HG       LEU  76   3.229   0.956  -4.265
  579   HD11  LEU  76          1HD1      LEU  76   5.543   0.547  -3.602
  580   HD12  LEU  76          2HD1      LEU  76   5.462   1.469  -5.104
  581   HD13  LEU  76          3HD1      LEU  76   5.848  -0.251  -5.145
  582   HD21  LEU  76          3HD2      LEU  76   3.913  -0.609  -6.746
  583   HD22  LEU  76          1HD2      LEU  76   3.595   1.124  -6.674
  584   HD23  LEU  76          2HD2      LEU  76   2.310  -0.023  -6.296
  585    H    LEU  77           H        LEU  77   0.823  -3.750  -4.578
  586    HA   LEU  77           HA       LEU  77   1.260  -4.789  -1.887
  587    HB2  LEU  77           1HB      LEU  77  -0.001  -6.724  -3.516
  588    HB3  LEU  77           2HB      LEU  77  -0.669  -5.828  -2.172
  589    HG   LEU  77           HG       LEU  77  -0.690  -4.843  -5.031
  590   HD11  LEU  77          1HD1      LEU  77  -3.090  -5.482  -4.917
  591   HD12  LEU  77          2HD1      LEU  77  -2.772  -6.263  -3.365
  592   HD13  LEU  77          3HD1      LEU  77  -1.997  -6.863  -4.837
  593   HD21  LEU  77          3HD2      LEU  77  -2.190  -3.174  -4.313
  594   HD22  LEU  77          1HD2      LEU  77  -0.879  -3.147  -3.135
  595   HD23  LEU  77          2HD2      LEU  77  -2.413  -3.926  -2.737
  596    H    PHE  78           H        PHE  78   2.848  -6.073  -1.427
  597    HA   PHE  78           HA       PHE  78   4.475  -7.043  -3.654
  598    HB2  PHE  78           1HB      PHE  78   5.127  -6.118  -0.891
  599    HB3  PHE  78           2HB      PHE  78   6.232  -7.192  -1.730
  600    HD1  PHE  78           2HD      PHE  78   7.418  -6.432  -3.725
  601    HD2  PHE  78           1HD      PHE  78   4.850  -3.834  -1.547
  602    HE1  PHE  78           2HE      PHE  78   8.418  -4.497  -4.863
  603    HE2  PHE  78           1HE      PHE  78   5.848  -1.893  -2.680
  604    HZ   PHE  78           HZ       PHE  78   7.633  -2.222  -4.342
  605    H    LYS  79           H        LYS  79   5.432  -9.108  -3.574
  606    HA   LYS  79           HA       LYS  79   4.496 -10.882  -1.440
  607    HB2  LYS  79           1HB      LYS  79   2.983 -11.205  -3.302
  608    HB3  LYS  79           2HB      LYS  79   4.332 -11.391  -4.413
  609    HG2  LYS  79           1HG      LYS  79   4.973 -13.446  -3.277
  610    HG3  LYS  79           2HG      LYS  79   3.664 -13.230  -2.117
  611    HD2  LYS  79           1HD      LYS  79   2.031 -13.427  -3.936
  612    HD3  LYS  79           2HD      LYS  79   3.352 -13.661  -5.087
  613    HE2  LYS  79           1HE      LYS  79   4.047 -15.672  -3.884
  614    HE3  LYS  79           2HE      LYS  79   2.746 -15.432  -2.722
  615    HZ1  LYS  79           3HZ      LYS  79   2.353 -15.898  -5.624
  616    HZ2  LYS  79           1HZ      LYS  79   1.140 -15.773  -4.454
  617    HZ3  LYS  79           2HZ      LYS  79   2.208 -17.082  -4.428
  618    H    ASN  80           H        ASN  80   6.164 -11.864  -0.568
  619    HA   ASN  80           HA       ASN  80   8.329 -12.422  -0.131
  620    HB2  ASN  80           1HB      ASN  80   9.070 -14.013  -2.294
  621    HB3  ASN  80           2HB      ASN  80   8.296 -14.543  -0.808
  622   HD21  ASN  80          1HD2      ASN  80   7.839 -13.766  -4.166
  623   HD22  ASN  80          2HD2      ASN  80   6.248 -14.435  -4.312
  624    H    GLY  81           H        GLY  81   8.390  -9.914  -1.162
  625    HA2  GLY  81           1HA      GLY  81   9.898  -8.383  -1.965
  626    HA3  GLY  81           2HA      GLY  81  11.090  -9.670  -1.904
  627    H    LYS  82           H        LYS  82   8.339 -10.288  -3.863
  628    HA   LYS  82           HA       LYS  82   9.958  -9.713  -6.254
  629    HB2  LYS  82           1HB      LYS  82   9.812 -11.932  -6.574
  630    HB3  LYS  82           2HB      LYS  82   8.596 -12.110  -5.325
  631    HG2  LYS  82           1HG      LYS  82   6.847 -11.595  -6.890
  632    HG3  LYS  82           2HG      LYS  82   8.030 -11.255  -8.153
  633    HD2  LYS  82           1HD      LYS  82   8.777 -13.570  -8.100
  634    HD3  LYS  82           2HD      LYS  82   7.640 -13.920  -6.798
  635    HE2  LYS  82           1HE      LYS  82   6.810 -14.657  -8.990
  636    HE3  LYS  82           2HE      LYS  82   5.772 -13.439  -8.255
  637    HZ1  LYS  82           3HZ      LYS  82   6.657 -11.783  -9.695
  638    HZ2  LYS  82           1HZ      LYS  82   6.207 -13.098 -10.654
  639    HZ3  LYS  82           2HZ      LYS  82   7.837 -12.833 -10.297
  640    H    GLU  83           H        GLU  83   7.388  -8.739  -4.525
  641    HA   GLU  83           HA       GLU  83   5.660  -7.324  -4.882
  642    HB2  GLU  83           1HB      GLU  83   7.150  -6.317  -6.654
  643    HB3  GLU  83           2HB      GLU  83   6.382  -7.383  -7.817
  644    HG2  GLU  83           1HG      GLU  83   4.191  -6.290  -7.126
  645    HG3  GLU  83           2HG      GLU  83   5.188  -5.069  -6.334
  646    H    VAL  84           H        VAL  84   3.448  -7.328  -5.936
  647    HA   VAL  84           HA       VAL  84   2.877  -9.817  -7.346
  648    HB   VAL  84           HB       VAL  84   2.204  -9.794  -4.831
  649   HG11  VAL  84          1HG1      VAL  84   1.016  -7.720  -4.767
  650   HG12  VAL  84          2HG1      VAL  84  -0.125  -9.038  -4.486
  651   HG13  VAL  84          3HG1      VAL  84  -0.061  -8.246  -6.059
  652   HG21  VAL  84          3HG2      VAL  84   0.284 -11.239  -5.332
  653   HG22  VAL  84          1HG2      VAL  84   1.690 -11.594  -6.339
  654   HG23  VAL  84          2HG2      VAL  84   0.336 -10.685  -7.008
  655    H    ALA  85           H        ALA  85   2.066  -6.504  -6.593
  656    HA   ALA  85           HA       ALA  85   1.124  -6.074  -9.281
  657    HB1  ALA  85           1HB      ALA  85  -0.775  -5.592  -6.998
  658    HB2  ALA  85           2HB      ALA  85  -0.932  -6.879  -8.197
  659    HB3  ALA  85           3HB      ALA  85  -1.050  -5.187  -8.692
  660    H    LYS  86           H        LYS  86   0.638  -3.795  -9.670
  661    HA   LYS  86           HA       LYS  86   1.630  -1.987  -7.631
  662    HB2  LYS  86           1HB      LYS  86   3.631  -2.368  -8.840
  663    HB3  LYS  86           2HB      LYS  86   2.797  -2.323 -10.385
  664    HG2  LYS  86           1HG      LYS  86   2.439   0.064 -10.153
  665    HG3  LYS  86           2HG      LYS  86   3.210   0.039  -8.568
  666    HD2  LYS  86           1HD      LYS  86   5.310  -0.620  -9.545
  667    HD3  LYS  86           2HD      LYS  86   4.559  -0.780 -11.133
  668    HE2  LYS  86           1HE      LYS  86   4.086   1.606 -11.166
  669    HE3  LYS  86           2HE      LYS  86   4.783   1.785  -9.557
  670    HZ1  LYS  86           3HZ      LYS  86   6.340   2.434 -11.280
  671    HZ2  LYS  86           1HZ      LYS  86   6.239   0.902 -11.989
  672    HZ3  LYS  86           2HZ      LYS  86   6.912   1.078 -10.451
  673    H    VAL  87           H        VAL  87   0.270  -0.342  -7.408
  674    HA   VAL  87           HA       VAL  87  -0.913   0.819  -9.840
  675    HB   VAL  87           HB       VAL  87  -2.357   0.770  -7.181
  676   HG11  VAL  87          1HG1      VAL  87  -3.240   1.498  -9.974
  677   HG12  VAL  87          2HG1      VAL  87  -2.923   2.619  -8.647
  678   HG13  VAL  87          3HG1      VAL  87  -4.273   1.485  -8.544
  679   HG21  VAL  87          3HG2      VAL  87  -2.174  -1.529  -8.070
  680   HG22  VAL  87          1HG2      VAL  87  -2.933  -0.989  -9.567
  681   HG23  VAL  87          2HG2      VAL  87  -3.836  -0.936  -8.050
  682    H    VAL  88           H        VAL  88  -0.668   2.981  -9.993
  683    HA   VAL  88           HA       VAL  88   0.717   4.264  -7.728
  684    HB   VAL  88           HB       VAL  88   1.294   5.109 -10.527
  685   HG11  VAL  88          1HG1      VAL  88   2.924   4.920  -7.998
  686   HG12  VAL  88          2HG1      VAL  88   2.255   6.383  -8.721
  687   HG13  VAL  88          3HG1      VAL  88   3.537   5.496  -9.548
  688   HG21  VAL  88          3HG2      VAL  88   2.677   2.754  -9.263
  689   HG22  VAL  88          1HG2      VAL  88   2.933   3.414 -10.877
  690   HG23  VAL  88          2HG2      VAL  88   1.409   2.604 -10.481
  691    H    GLY  89           H        GLY  89  -1.375   5.106  -7.110
  692    HA2  GLY  89           1HA      GLY  89  -1.718   7.744  -7.568
  693    HA3  GLY  89           2HA      GLY  89  -2.658   7.008  -8.860
  694    H    ALA  90           H        ALA  90  -4.314   8.305  -7.605
  695    HA   ALA  90           HA       ALA  90  -5.292   7.267  -5.139
  696    HB1  ALA  90           1HB      ALA  90  -7.189   8.705  -5.492
  697    HB2  ALA  90           2HB      ALA  90  -6.797   8.871  -7.203
  698    HB3  ALA  90           3HB      ALA  90  -5.732   9.572  -5.986
  699    H    ASN  91           H        ASN  91  -5.644   5.062  -5.260
  700    HA   ASN  91           HA       ASN  91  -7.550   4.175  -7.319
  701    HB2  ASN  91           1HB      ASN  91  -6.393   2.019  -7.368
  702    HB3  ASN  91           2HB      ASN  91  -5.301   3.332  -7.785
  703   HD21  ASN  91          1HD2      ASN  91  -4.867   0.604  -6.729
  704   HD22  ASN  91          2HD2      ASN  91  -3.908   0.805  -5.310
  705    HA   PRO  92           HA       PRO  92  -9.328   2.832  -3.210
  706    HB2  PRO  92           1HB      PRO  92 -11.779   4.130  -4.156
  707    HB3  PRO  92           2HB      PRO  92 -10.932   4.338  -2.623
  708    HG2  PRO  92           1HG      PRO  92 -11.011   6.258  -4.538
  709    HG3  PRO  92           2HG      PRO  92  -9.659   6.070  -3.408
  710    HD2  PRO  92           1HD      PRO  92  -9.868   5.242  -6.276
  711    HD3  PRO  92           2HD      PRO  92  -8.478   5.900  -5.388
  712    H    ALA  93           H        ALA  93 -10.606   3.137  -6.496
  713    HA   ALA  93           HA       ALA  93 -12.123   0.669  -6.248
  714    HB1  ALA  93           1HB      ALA  93 -12.922   1.142  -8.487
  715    HB2  ALA  93           2HB      ALA  93 -11.777   2.474  -8.638
  716    HB3  ALA  93           3HB      ALA  93 -13.090   2.570  -7.467
  717    H    ALA  94           H        ALA  94  -9.257   1.901  -7.894
  718    HA   ALA  94           HA       ALA  94  -8.816  -0.512  -9.384
  719    HB1  ALA  94           1HB      ALA  94  -6.617   0.557  -9.950
  720    HB2  ALA  94           2HB      ALA  94  -7.126   1.939  -8.979
  721    HB3  ALA  94           3HB      ALA  94  -8.051   1.475 -10.399
  722    H    ILE  95           H        ILE  95  -7.959   0.550  -6.177
  723    HA   ILE  95           HA       ILE  95  -5.836  -1.206  -5.706
  724    HB   ILE  95           HB       ILE  95  -6.792   0.399  -3.979
  725   HG12  ILE  95          1HG1      ILE  95  -6.050  -0.914  -2.115
  726   HG13  ILE  95          2HG1      ILE  95  -6.463  -2.423  -2.927
  727   HG21  ILE  95          1HG2      ILE  95  -8.704  -1.859  -3.439
  728   HG22  ILE  95          2HG2      ILE  95  -9.139  -0.313  -4.180
  729   HG23  ILE  95          3HG2      ILE  95  -8.548  -0.357  -2.518
  730   HD11  ILE  95          3HD1      ILE  95  -4.299  -0.535  -3.831
  731   HD12  ILE  95          1HD1      ILE  95  -4.644  -2.142  -4.465
  732   HD13  ILE  95          2HD1      ILE  95  -4.038  -1.956  -2.821
  733    H    LYS  96           H        LYS  96  -9.287  -1.670  -5.842
  734    HA   LYS  96           HA       LYS  96  -9.431  -4.309  -5.003
  735    HB2  LYS  96           1HB      LYS  96 -11.143  -2.717  -6.891
  736    HB3  LYS  96           2HB      LYS  96 -11.499  -4.403  -6.538
  737    HG2  LYS  96           1HG      LYS  96 -11.294  -2.197  -4.509
  738    HG3  LYS  96           2HG      LYS  96 -12.793  -2.878  -5.140
  739    HD2  LYS  96           1HD      LYS  96 -10.672  -4.445  -3.656
  740    HD3  LYS  96           2HD      LYS  96 -12.148  -3.797  -2.925
  741    HE2  LYS  96           1HE      LYS  96 -12.038  -5.793  -5.188
  742    HE3  LYS  96           2HE      LYS  96 -12.386  -6.171  -3.504
  743    HZ1  LYS  96           3HZ      LYS  96 -14.031  -4.442  -5.275
  744    HZ2  LYS  96           1HZ      LYS  96 -14.355  -4.754  -3.646
  745    HZ3  LYS  96           2HZ      LYS  96 -14.416  -6.010  -4.775
  746    H    GLN  97           H        GLN  97  -8.658  -2.952  -8.153
  747    HA   GLN  97           HA       GLN  97  -8.591  -5.240  -9.722
  748    HB2  GLN  97           1HB      GLN  97  -8.265  -3.011 -10.651
  749    HB3  GLN  97           2HB      GLN  97  -6.781  -2.807  -9.744
  750    HG2  GLN  97           1HG      GLN  97  -6.950  -5.060 -11.683
  751    HG3  GLN  97           2HG      GLN  97  -6.779  -3.424 -12.308
  752   HE21  GLN  97          1HE2      GLN  97  -5.214  -6.054 -10.718
  753   HE22  GLN  97          2HE2      GLN  97  -3.628  -5.361 -10.656
  754    H    ALA  98           H        ALA  98  -5.909  -3.788  -7.879
  755    HA   ALA  98           HA       ALA  98  -4.215  -6.070  -8.294
  756    HB1  ALA  98           1HB      ALA  98  -2.651  -4.895  -6.747
  757    HB2  ALA  98           2HB      ALA  98  -3.916  -3.705  -6.424
  758    HB3  ALA  98           3HB      ALA  98  -3.235  -3.847  -8.042
  759    H    ILE  99           H        ILE  99  -6.440  -5.095  -5.926
  760    HA   ILE  99           HA       ILE  99  -5.288  -6.680  -3.839
  761    HB   ILE  99           HB       ILE  99  -6.907  -4.426  -3.928
  762   HG12  ILE  99          1HG1      ILE  99  -5.126  -4.852  -2.380
  763   HG13  ILE  99          2HG1      ILE  99  -6.606  -4.559  -1.461
  764   HG21  ILE  99          1HG2      ILE  99  -8.416  -6.480  -2.362
  765   HG22  ILE  99          2HG2      ILE  99  -8.874  -6.004  -3.997
  766   HG23  ILE  99          3HG2      ILE  99  -8.857  -4.800  -2.703
  767   HD11  ILE  99          3HD1      ILE  99  -6.215  -6.490  -0.422
  768   HD12  ILE  99          1HD1      ILE  99  -4.919  -6.897  -1.554
  769   HD13  ILE  99          2HD1      ILE  99  -6.597  -7.291  -1.960
  770    H    ALA 100           H        ALA 100  -8.061  -6.944  -5.947
  771    HA   ALA 100           HA       ALA 100  -9.000  -9.242  -4.471
  772    HB1  ALA 100           1HB      ALA 100 -10.887  -9.273  -6.020
  773    HB2  ALA 100           2HB      ALA 100 -10.126  -8.012  -6.990
  774    HB3  ALA 100           3HB      ALA 100 -10.654  -7.660  -5.345
  775    H    ALA 101           H        ALA 101  -7.446  -8.467  -7.527
  776    HA   ALA 101           HA       ALA 101  -7.630 -11.099  -8.597
  777    HB1  ALA 101           1HB      ALA 101  -5.718  -8.890  -9.345
  778    HB2  ALA 101           2HB      ALA 101  -7.334  -9.115 -10.014
  779    HB3  ALA 101           3HB      ALA 101  -6.085 -10.328 -10.299
  780    H    ASN 102           H        ASN 102  -5.147  -9.361  -6.714
  781    HA   ASN 102           HA       ASN 102  -3.423 -11.714  -6.979
  782    HB2  ASN 102           1HB      ASN 102  -2.855  -9.060  -5.671
  783    HB3  ASN 102           2HB      ASN 102  -1.701 -10.383  -5.821
  784   HD21  ASN 102          1HD2      ASN 102  -3.243  -7.781  -7.355
  785   HD22  ASN 102          2HD2      ASN 102  -2.447  -7.898  -8.893
  786    H    ALA 103           H        ALA 103  -4.348  -9.700  -4.174
  787    HA   ALA 103           HA       ALA 103  -3.598 -11.427  -2.164
  788    HB1  ALA 103           1HB      ALA 103  -5.087 -10.261  -0.688
  789    HB2  ALA 103           2HB      ALA 103  -6.085  -9.729  -2.040
  790    HB3  ALA 103           3HB      ALA 103  -4.453  -9.095  -1.853
  Start of MODEL   16
    1    H1   MET   1           1H       MET   1  -9.615  -2.311  10.340
    2    H2   MET   1           2H       MET   1  -8.261  -3.326  10.334
    3    H3   MET   1           3H       MET   1  -8.844  -2.684   8.883
    4    HA   MET   1           HA       MET   1  -8.264  -0.479   9.540
    5    HB2  MET   1           1HB      MET   1  -7.170  -1.804  12.035
    6    HB3  MET   1           2HB      MET   1  -6.954  -0.116  11.605
    7    HG2  MET   1           1HG      MET   1  -8.663  -0.184  13.221
    8    HG3  MET   1           2HG      MET   1  -9.451   0.119  11.674
    9    HE1  MET   1           3HE      MET   1  -8.026  -3.275  13.095
   10    HE2  MET   1           1HE      MET   1  -9.465  -3.954  13.852
   11    HE3  MET   1           2HE      MET   1  -8.732  -2.491  14.506
   12    H    VAL   2           H        VAL   2  -6.046   0.343   9.295
   13    HA   VAL   2           HA       VAL   2  -4.213  -1.789   8.439
   14    HB   VAL   2           HB       VAL   2  -4.340  -1.007   6.367
   15   HG11  VAL   2          1HG1      VAL   2  -6.467  -0.023   6.687
   16   HG12  VAL   2          2HG1      VAL   2  -5.494   1.135   5.777
   17   HG13  VAL   2          3HG1      VAL   2  -5.772   1.376   7.501
   18   HG21  VAL   2          3HG2      VAL   2  -2.905   0.680   5.739
   19   HG22  VAL   2          1HG2      VAL   2  -2.292   0.234   7.329
   20   HG23  VAL   2          2HG2      VAL   2  -3.292   1.674   7.148
   21    H    THR   3           H        THR   3  -2.127  -1.630   8.954
   22    HA   THR   3           HA       THR   3  -1.376   0.264  11.009
   23    HB   THR   3           HB       THR   3  -0.498  -2.355  10.096
   24    HG1  THR   3           1HG      THR   3  -0.717  -0.873  12.420
   25   HG21  THR   3          3HG2      THR   3   1.435  -1.044   9.247
   26   HG22  THR   3          1HG2      THR   3   1.868  -2.154  10.560
   27   HG23  THR   3          2HG2      THR   3   1.690  -0.430  10.890
   28    H    GLN   4           H        GLN   4   0.216   1.759  10.889
   29    HA   GLN   4           HA       GLN   4   1.263   2.408   8.233
   30    HB2  GLN   4           1HB      GLN   4   2.063   4.515   9.490
   31    HB3  GLN   4           2HB      GLN   4   0.342   4.350   9.180
   32    HG2  GLN   4           1HG      GLN   4   0.403   5.073  11.368
   33    HG3  GLN   4           2HG      GLN   4   0.227   3.325  11.535
   34   HE21  GLN   4          1HE2      GLN   4   3.237   4.945  10.682
   35   HE22  GLN   4          2HE2      GLN   4   4.065   4.569  12.148
   36    H    PHE   5           H        PHE   5   3.441   2.245   7.786
   37    HA   PHE   5           HA       PHE   5   5.025   0.908   9.837
   38    HB2  PHE   5           1HB      PHE   5   5.488   1.358   6.908
   39    HB3  PHE   5           2HB      PHE   5   6.772   0.801   7.966
   40    HD1  PHE   5           2HD      PHE   5   5.070  -0.993   9.730
   41    HD2  PHE   5           1HD      PHE   5   5.288  -0.500   5.510
   42    HE1  PHE   5           2HE      PHE   5   4.325  -3.314   9.425
   43    HE2  PHE   5           1HE      PHE   5   4.554  -2.821   5.195
   44    HZ   PHE   5           HZ       PHE   5   4.066  -4.231   7.156
   45    H    LYS   6           H        LYS   6   6.761   1.723  10.803
   46    HA   LYS   6           HA       LYS   6   7.055   4.605  10.647
   47    HB2  LYS   6           1HB      LYS   6   8.365   4.348  12.721
   48    HB3  LYS   6           2HB      LYS   6   6.765   3.624  12.837
   49    HG2  LYS   6           1HG      LYS   6   7.833   1.420  12.309
   50    HG3  LYS   6           2HG      LYS   6   9.397   2.213  12.478
   51    HD2  LYS   6           1HD      LYS   6   8.879   1.141  14.557
   52    HD3  LYS   6           2HD      LYS   6   8.724   2.883  14.788
   53    HE2  LYS   6           1HE      LYS   6   6.307   2.717  14.567
   54    HE3  LYS   6           2HE      LYS   6   6.437   0.989  14.255
   55    HZ1  LYS   6           3HZ      LYS   6   5.821   1.416  16.537
   56    HZ2  LYS   6           1HZ      LYS   6   7.205   2.357  16.770
   57    HZ3  LYS   6           2HZ      LYS   6   7.349   0.701  16.472
   58    H    THR   7           H        THR   7   8.783   1.744   9.725
   59    HA   THR   7           HA       THR   7  10.971   3.430   8.763
   60    HB   THR   7           HB       THR   7  12.545   1.535   9.196
   61    HG1  THR   7           1HG      THR   7  11.396   0.394  11.244
   62   HG21  THR   7          3HG2      THR   7  12.577   3.506  10.604
   63   HG22  THR   7          1HG2      THR   7  12.839   2.064  11.585
   64   HG23  THR   7          2HG2      THR   7  11.264   2.856  11.585
   65    H    ALA   8           H        ALA   8  12.019   2.787   6.884
   66    HA   ALA   8           HA       ALA   8  10.576   1.428   4.899
   67    HB1  ALA   8           1HB      ALA   8  12.656   1.416   3.641
   68    HB2  ALA   8           2HB      ALA   8  13.578   1.757   5.104
   69    HB3  ALA   8           3HB      ALA   8  12.468   2.966   4.463
   70    H    SER   9           H        SER   9  12.896   0.374   7.309
   71    HA   SER   9           HA       SER   9  13.299  -2.258   6.437
   72    HB2  SER   9           1HB      SER   9  14.637  -1.035   8.191
   73    HB3  SER   9           2HB      SER   9  13.304  -1.305   9.310
   74    HG   SER   9           HG       SER   9  15.175  -3.089   8.288
   75    H    GLU  10           H        GLU  10  10.730  -0.785   8.407
   76    HA   GLU  10           HA       GLU  10   9.477  -3.204   9.190
   77    HB2  GLU  10           1HB      GLU  10   8.467  -0.404   8.777
   78    HB3  GLU  10           2HB      GLU  10   7.355  -1.709   9.166
   79    HG2  GLU  10           1HG      GLU  10   9.722  -0.900  10.837
   80    HG3  GLU  10           2HG      GLU  10   8.054  -0.409  11.129
   81    H    PHE  11           H        PHE  11   8.953  -1.081   6.428
   82    HA   PHE  11           HA       PHE  11   6.972  -2.614   5.157
   83    HB2  PHE  11           1HB      PHE  11   7.036  -0.474   4.367
   84    HB3  PHE  11           2HB      PHE  11   8.789  -0.375   4.420
   85    HD1  PHE  11           1HD      PHE  11   5.884  -1.345   2.428
   86    HD2  PHE  11           2HD      PHE  11  10.124  -1.082   2.551
   87    HE1  PHE  11           1HE      PHE  11   5.961  -1.654  -0.009
   88    HE2  PHE  11           2HE      PHE  11  10.212  -1.402   0.110
   89    HZ   PHE  11           HZ       PHE  11   8.130  -1.683  -1.173
   90    H    ASP  12           H        ASP  12  10.482  -2.500   4.704
   91    HA   ASP  12           HA       ASP  12  10.731  -4.277   2.581
   92    HB2  ASP  12           1HB      ASP  12  12.606  -2.948   3.327
   93    HB3  ASP  12           2HB      ASP  12  12.605  -3.747   4.895
   94    H    SER  13           H        SER  13  10.648  -4.940   6.047
   95    HA   SER  13           HA       SER  13  11.114  -7.728   5.779
   96    HB2  SER  13           1HB      SER  13   9.878  -6.179   8.064
   97    HB3  SER  13           2HB      SER  13  10.486  -7.831   8.154
   98    HG   SER  13           HG       SER  13  11.935  -5.434   7.736
   99    H    ALA  14           H        ALA  14   8.187  -5.763   6.088
  100    HA   ALA  14           HA       ALA  14   6.352  -7.877   6.303
  101    HB1  ALA  14           1HB      ALA  14   4.677  -6.256   5.462
  102    HB2  ALA  14           2HB      ALA  14   5.991  -5.126   5.125
  103    HB3  ALA  14           3HB      ALA  14   5.659  -5.624   6.787
  104    H    ILE  15           H        ILE  15   7.480  -6.081   3.448
  105    HA   ILE  15           HA       ILE  15   5.853  -7.534   1.639
  106    HB   ILE  15           HB       ILE  15   7.168  -6.506  -0.135
  107   HG12  ILE  15          1HG1      ILE  15   8.877  -5.214   1.977
  108   HG13  ILE  15          2HG1      ILE  15   9.345  -6.731   1.220
  109   HG21  ILE  15          1HG2      ILE  15   6.726  -4.161   0.429
  110   HG22  ILE  15          2HG2      ILE  15   6.537  -4.609   2.124
  111   HG23  ILE  15          3HG2      ILE  15   5.397  -5.212   0.921
  112   HD11  ILE  15          3HD1      ILE  15  10.439  -4.877   0.144
  113   HD12  ILE  15          1HD1      ILE  15   8.885  -4.107  -0.173
  114   HD13  ILE  15          2HD1      ILE  15   9.295  -5.627  -0.968
  115    H    ALA  16           H        ALA  16   8.877  -8.213   3.141
  116    HA   ALA  16           HA       ALA  16   9.897  -9.974   1.142
  117    HB1  ALA  16           1HB      ALA  16  10.581  -9.898   4.070
  118    HB2  ALA  16           2HB      ALA  16  11.309  -8.861   2.842
  119    HB3  ALA  16           3HB      ALA  16  11.544 -10.609   2.776
  120    H    GLN  17           H        GLN  17   7.421 -10.264   3.396
  121    HA   GLN  17           HA       GLN  17   7.643 -13.025   4.015
  122    HB2  GLN  17           1HB      GLN  17   5.225 -11.210   4.008
  123    HB3  GLN  17           2HB      GLN  17   5.239 -12.843   4.657
  124    HG2  GLN  17           1HG      GLN  17   6.861 -12.199   6.323
  125    HG3  GLN  17           2HG      GLN  17   6.944 -10.572   5.645
  126   HE21  GLN  17          1HE2      GLN  17   5.127  -9.220   5.827
  127   HE22  GLN  17          2HE2      GLN  17   3.952  -9.465   7.073
  128    H    ASP  18           H        ASP  18   6.406 -14.756   3.180
  129    HA   ASP  18           HA       ASP  18   6.141 -14.647   0.305
  130    HB2  ASP  18           1HB      ASP  18   5.696 -16.865   2.297
  131    HB3  ASP  18           2HB      ASP  18   5.556 -17.072   0.558
  132    H    LYS  19           H        LYS  19   4.320 -13.024   1.740
  133    HA   LYS  19           HA       LYS  19   1.743 -14.187   0.958
  134    HB2  LYS  19           1HB      LYS  19   0.722 -13.703   2.951
  135    HB3  LYS  19           2HB      LYS  19   2.265 -14.346   3.457
  136    HG2  LYS  19           1HG      LYS  19   3.073 -12.264   4.106
  137    HG3  LYS  19           2HG      LYS  19   1.843 -11.396   3.180
  138    HD2  LYS  19           1HD      LYS  19   1.331 -13.110   5.608
  139    HD3  LYS  19           2HD      LYS  19   1.372 -11.346   5.586
  140    HE2  LYS  19           1HE      LYS  19  -0.524 -11.262   4.114
  141    HE3  LYS  19           2HE      LYS  19  -0.513 -13.014   3.919
  142    HZ1  LYS  19           3HZ      LYS  19  -2.215 -12.411   5.461
  143    HZ2  LYS  19           1HZ      LYS  19  -1.142 -11.482   6.389
  144    HZ3  LYS  19           2HZ      LYS  19  -0.982 -13.171   6.338
  145    H    LEU  20           H        LEU  20   0.030 -12.406   1.108
  146    HA   LEU  20           HA       LEU  20   0.857 -10.301  -0.642
  147    HB2  LEU  20           1HB      LEU  20  -1.420 -11.592  -0.458
  148    HB3  LEU  20           2HB      LEU  20  -1.791 -10.395   0.757
  149    HG   LEU  20           HG       LEU  20  -2.768  -9.750  -1.340
  150   HD11  LEU  20          1HD1      LEU  20  -1.943  -7.965   0.104
  151   HD12  LEU  20          2HD1      LEU  20  -1.893  -7.524  -1.601
  152   HD13  LEU  20          3HD1      LEU  20  -0.410  -7.984  -0.763
  153   HD21  LEU  20          3HD2      LEU  20  -1.213 -10.978  -2.808
  154   HD22  LEU  20          1HD2      LEU  20   0.000  -9.734  -2.511
  155   HD23  LEU  20          2HD2      LEU  20  -1.506  -9.320  -3.337
  156    H    VAL  21           H        VAL  21   1.984  -8.616   0.161
  157    HA   VAL  21           HA       VAL  21   0.737  -7.218   2.443
  158    HB   VAL  21           HB       VAL  21   3.687  -7.296   1.750
  159   HG11  VAL  21          1HG1      VAL  21   2.296  -5.634   3.852
  160   HG12  VAL  21          2HG1      VAL  21   2.954  -5.010   2.338
  161   HG13  VAL  21          3HG1      VAL  21   4.034  -5.706   3.552
  162   HG21  VAL  21          3HG2      VAL  21   3.917  -8.184   4.021
  163   HG22  VAL  21          1HG2      VAL  21   2.875  -9.212   3.036
  164   HG23  VAL  21          2HG2      VAL  21   2.167  -8.121   4.228
  165    H    VAL  22           H        VAL  22  -0.431  -5.627   1.562
  166    HA   VAL  22           HA       VAL  22   0.843  -4.041  -0.527
  167    HB   VAL  22           HB       VAL  22  -1.142  -4.508  -1.478
  168   HG11  VAL  22          1HG1      VAL  22  -2.513  -4.397   1.194
  169   HG12  VAL  22          2HG1      VAL  22  -2.005  -5.854   0.341
  170   HG13  VAL  22          3HG1      VAL  22  -3.261  -4.826  -0.347
  171   HG21  VAL  22          3HG2      VAL  22  -1.815  -2.094   0.186
  172   HG22  VAL  22          1HG2      VAL  22  -2.714  -2.624  -1.236
  173   HG23  VAL  22          2HG2      VAL  22  -1.035  -2.109  -1.396
  174    H    VAL  23           H        VAL  23   1.970  -2.485   0.185
  175    HA   VAL  23           HA       VAL  23   1.039  -0.841   2.440
  176    HB   VAL  23           HB       VAL  23   3.752  -0.877   1.110
  177   HG11  VAL  23          1HG1      VAL  23   3.182   1.204   2.256
  178   HG12  VAL  23          2HG1      VAL  23   4.481   0.341   3.078
  179   HG13  VAL  23          3HG1      VAL  23   2.844   0.298   3.731
  180   HG21  VAL  23          3HG2      VAL  23   2.679  -2.378   3.473
  181   HG22  VAL  23          1HG2      VAL  23   4.396  -2.017   3.314
  182   HG23  VAL  23          2HG2      VAL  23   3.582  -2.991   2.091
  183    H    ALA  24           H        ALA  24   0.791   1.432   2.172
  184    HA   ALA  24           HA       ALA  24   1.045   2.438  -0.581
  185    HB1  ALA  24           1HB      ALA  24  -1.309   1.806   0.063
  186    HB2  ALA  24           2HB      ALA  24  -1.054   3.424  -0.580
  187    HB3  ALA  24           3HB      ALA  24  -1.256   3.188   1.152
  188    H    PHE  25           H        PHE  25   2.185   4.071  -0.822
  189    HA   PHE  25           HA       PHE  25   3.168   5.668   1.323
  190    HB2  PHE  25           1HB      PHE  25   3.301   6.060  -1.669
  191    HB3  PHE  25           2HB      PHE  25   4.288   6.918  -0.487
  192    HD1  PHE  25           2HD      PHE  25   3.630   3.647  -2.051
  193    HD2  PHE  25           1HD      PHE  25   6.239   5.909   0.436
  194    HE1  PHE  25           2HE      PHE  25   5.326   1.876  -2.232
  195    HE2  PHE  25           1HE      PHE  25   7.945   4.143   0.249
  196    HZ   PHE  25           HZ       PHE  25   7.489   2.124  -1.081
  197    H    TYR  26           H        TYR  26   2.051   7.240   2.283
  198    HA   TYR  26           HA       TYR  26   0.086   8.802   0.719
  199    HB2  TYR  26           1HB      TYR  26  -0.035   7.861   3.589
  200    HB3  TYR  26           2HB      TYR  26  -1.057   9.149   2.974
  201    HD1  TYR  26           1HD      TYR  26  -0.491   6.697   0.486
  202    HD2  TYR  26           2HD      TYR  26  -2.805   7.521   3.947
  203    HE1  TYR  26           1HE      TYR  26  -2.136   5.026  -0.223
  204    HE2  TYR  26           2HE      TYR  26  -4.455   5.842   3.252
  205    HH   TYR  26           HH       TYR  26  -5.185   4.709   1.231
  206    H    ALA  27           H        ALA  27  -0.474  10.842   2.164
  207    HA   ALA  27           HA       ALA  27   1.788  11.893   3.622
  208    HB1  ALA  27           1HB      ALA  27   1.962  13.925   2.255
  209    HB2  ALA  27           2HB      ALA  27   0.790  13.262   1.117
  210    HB3  ALA  27           3HB      ALA  27   2.361  12.486   1.317
  211    H    THR  28           H        THR  28   1.218  14.050   4.556
  212    HA   THR  28           HA       THR  28  -1.484  13.992   5.546
  213    HB   THR  28           HB       THR  28   0.421  16.139   6.235
  214    HG1  THR  28           1HG      THR  28   0.586  13.616   7.500
  215   HG21  THR  28          3HG2      THR  28  -1.793  16.121   7.265
  216   HG22  THR  28          1HG2      THR  28  -0.544  15.807   8.471
  217   HG23  THR  28          2HG2      THR  28  -1.514  14.477   7.842
  218    H    TRP  29           H        TRP  29  -0.133  15.246   2.846
  219    HA   TRP  29           HA       TRP  29  -1.896  17.589   2.811
  220    HB2  TRP  29           1HB      TRP  29  -0.077  18.661   1.379
  221    HB3  TRP  29           2HB      TRP  29   0.238  18.519   3.106
  222    HD1  TRP  29           HD       TRP  29   1.069  16.647  -0.156
  223    HE1  TRP  29           1HE      TRP  29   3.407  15.569   0.094
  224    HE3  TRP  29           3HE      TRP  29   1.998  17.905   4.697
  225    HZ2  TRP  29           2HZ      TRP  29   5.366  15.292   2.113
  226    HZ3  TRP  29           3HZ      TRP  29   4.119  17.197   5.720
  227    HH2  TRP  29           HH       TRP  29   5.767  15.919   4.453
  228    H    CYS  30           H        CYS  30  -2.844  15.255   1.792
  229    HA   CYS  30           HA       CYS  30  -2.953  15.897  -1.050
  230    HB2  CYS  30           1HB      CYS  30  -2.892  13.318  -1.459
  231    HB3  CYS  30           2HB      CYS  30  -1.386  14.221  -1.296
  232    H    GLY  31           H        GLY  31  -4.911  15.956  -1.754
  233    HA2  GLY  31           1HA      GLY  31  -7.190  15.435  -0.223
  234    HA3  GLY  31           2HA      GLY  31  -7.166  15.718  -1.952
  235    HA   PRO  32           HA       PRO  32  -7.802  11.406  -2.866
  236    HB2  PRO  32           1HB      PRO  32  -5.478  10.047  -3.396
  237    HB3  PRO  32           2HB      PRO  32  -6.316  11.067  -4.568
  238    HG2  PRO  32           1HG      PRO  32  -3.937  11.680  -2.876
  239    HG3  PRO  32           2HG      PRO  32  -4.271  12.130  -4.559
  240    HD2  PRO  32           1HD      PRO  32  -4.563  13.867  -2.505
  241    HD3  PRO  32           2HD      PRO  32  -5.592  13.918  -3.943
  242    H    CYS  33           H        CYS  33  -4.951  11.704  -0.807
  243    HA   CYS  33           HA       CYS  33  -5.118   9.252   0.531
  244    HB2  CYS  33           1HB      CYS  33  -4.165  11.855   1.731
  245    HB3  CYS  33           2HB      CYS  33  -3.645  10.225   2.150
  246    H    LYS  34           H        LYS  34  -6.863  12.241   0.974
  247    HA   LYS  34           HA       LYS  34  -7.979  11.600   3.497
  248    HB2  LYS  34           1HB      LYS  34  -7.897  13.884   2.530
  249    HB3  LYS  34           2HB      LYS  34  -9.088  13.397   1.335
  250    HG2  LYS  34           1HG      LYS  34 -10.741  13.057   3.050
  251    HG3  LYS  34           2HG      LYS  34  -9.547  13.387   4.309
  252    HD2  LYS  34           1HD      LYS  34  -9.252  15.662   3.357
  253    HD3  LYS  34           2HD      LYS  34 -10.558  15.315   2.223
  254    HE2  LYS  34           1HE      LYS  34 -12.122  15.047   4.037
  255    HE3  LYS  34           2HE      LYS  34 -10.830  15.223   5.224
  256    HZ1  LYS  34           3HZ      LYS  34 -11.730  17.317   3.320
  257    HZ2  LYS  34           1HZ      LYS  34 -10.483  17.488   4.451
  258    HZ3  LYS  34           2HZ      LYS  34 -12.075  17.273   4.974
  259    H    MET  35           H        MET  35  -9.363  11.436   0.208
  260    HA   MET  35           HA       MET  35 -11.793  10.282   1.055
  261    HB2  MET  35           1HB      MET  35 -12.189   9.813  -1.330
  262    HB3  MET  35           2HB      MET  35 -11.700  11.472  -1.023
  263    HG2  MET  35           1HG      MET  35  -9.379  10.793  -1.655
  264    HG3  MET  35           2HG      MET  35 -10.052   9.246  -2.157
  265    HE1  MET  35           3HE      MET  35  -9.873  13.074  -2.788
  266    HE2  MET  35           1HE      MET  35 -11.602  12.877  -2.503
  267    HE3  MET  35           2HE      MET  35 -11.017  13.309  -4.108
  268    H    ILE  36           H        ILE  36  -8.872   8.724  -0.305
  269    HA   ILE  36           HA       ILE  36 -10.192   6.191  -0.130
  270    HB   ILE  36           HB       ILE  36  -8.570   5.283  -1.320
  271   HG12  ILE  36          1HG1      ILE  36  -7.216   5.195   0.818
  272   HG13  ILE  36          2HG1      ILE  36  -6.322   5.086  -0.676
  273   HG21  ILE  36          1HG2      ILE  36  -7.111   6.737  -2.596
  274   HG22  ILE  36          2HG2      ILE  36  -7.426   8.058  -1.470
  275   HG23  ILE  36          3HG2      ILE  36  -8.733   7.418  -2.465
  276   HD11  ILE  36          3HD1      ILE  36  -6.619   7.553   1.014
  277   HD12  ILE  36          1HD1      ILE  36  -5.639   7.406  -0.449
  278   HD13  ILE  36          2HD1      ILE  36  -5.221   6.474   0.996
  279    H    ALA  37           H        ALA  37  -8.631   8.185   2.156
  280    HA   ALA  37           HA       ALA  37  -7.475   6.279   3.824
  281    HB1  ALA  37           1HB      ALA  37  -7.641   7.873   5.609
  282    HB2  ALA  37           2HB      ALA  37  -8.885   8.775   4.742
  283    HB3  ALA  37           3HB      ALA  37  -7.236   8.712   4.104
  284    HA   PRO  38           HA       PRO  38 -11.818   5.401   5.795
  285    HB2  PRO  38           1HB      PRO  38 -13.948   6.152   4.220
  286    HB3  PRO  38           2HB      PRO  38 -13.402   7.029   5.652
  287    HG2  PRO  38           1HG      PRO  38 -12.854   7.569   2.770
  288    HG3  PRO  38           2HG      PRO  38 -13.185   8.712   4.084
  289    HD2  PRO  38           1HD      PRO  38 -10.697   8.292   3.159
  290    HD3  PRO  38           2HD      PRO  38 -11.016   8.628   4.872
  291    H    MET  39           H        MET  39 -11.422   5.564   2.236
  292    HA   MET  39           HA       MET  39 -12.854   3.152   1.742
  293    HB2  MET  39           1HB      MET  39 -10.685   4.441   0.089
  294    HB3  MET  39           2HB      MET  39 -11.707   3.122  -0.451
  295    HG2  MET  39           1HG      MET  39 -12.626   5.887   0.301
  296    HG3  MET  39           2HG      MET  39 -12.503   5.228  -1.330
  297    HE1  MET  39           3HE      MET  39 -14.983   5.813  -1.940
  298    HE2  MET  39           1HE      MET  39 -15.141   6.596  -0.367
  299    HE3  MET  39           2HE      MET  39 -16.361   5.442  -0.905
  300    H    ILE  40           H        ILE  40  -9.294   3.660   1.790
  301    HA   ILE  40           HA       ILE  40  -8.463   1.045   1.675
  302    HB   ILE  40           HB       ILE  40  -7.237   3.539   2.448
  303   HG12  ILE  40          1HG1      ILE  40  -5.161   2.226   1.885
  304   HG13  ILE  40          2HG1      ILE  40  -6.203   0.831   1.648
  305   HG21  ILE  40          1HG2      ILE  40  -5.617   2.742   4.088
  306   HG22  ILE  40          2HG2      ILE  40  -6.541   1.247   4.248
  307   HG23  ILE  40          3HG2      ILE  40  -7.260   2.783   4.730
  308   HD11  ILE  40          3HD1      ILE  40  -6.137   3.380   0.097
  309   HD12  ILE  40          1HD1      ILE  40  -7.447   2.206  -0.054
  310   HD13  ILE  40          2HD1      ILE  40  -5.794   1.750  -0.470
  311    H    GLU  41           H        GLU  41  -9.685   2.794   4.495
  312    HA   GLU  41           HA       GLU  41  -9.230   0.868   6.458
  313    HB2  GLU  41           1HB      GLU  41 -10.083   3.181   6.839
  314    HB3  GLU  41           2HB      GLU  41 -11.644   2.665   6.214
  315    HG2  GLU  41           1HG      GLU  41 -11.834   1.045   8.036
  316    HG3  GLU  41           2HG      GLU  41 -10.278   1.583   8.668
  317    H    LYS  42           H        LYS  42 -12.047   1.260   4.311
  318    HA   LYS  42           HA       LYS  42 -13.516  -0.939   5.242
  319    HB2  LYS  42           1HB      LYS  42 -14.644   0.612   3.851
  320    HB3  LYS  42           2HB      LYS  42 -13.415   0.495   2.599
  321    HG2  LYS  42           1HG      LYS  42 -14.253  -2.044   2.608
  322    HG3  LYS  42           2HG      LYS  42 -15.732  -1.247   3.153
  323    HD2  LYS  42           1HD      LYS  42 -15.731   0.182   1.218
  324    HD3  LYS  42           2HD      LYS  42 -14.168  -0.457   0.702
  325    HE2  LYS  42           1HE      LYS  42 -15.886  -1.494  -0.606
  326    HE3  LYS  42           2HE      LYS  42 -15.211  -2.694   0.492
  327    HZ1  LYS  42           3HZ      LYS  42 -17.769  -1.232   0.846
  328    HZ2  LYS  42           1HZ      LYS  42 -17.110  -2.311   1.967
  329    HZ3  LYS  42           2HZ      LYS  42 -17.591  -2.865   0.447
  330    H    PHE  43           H        PHE  43 -11.306  -0.696   2.521
  331    HA   PHE  43           HA       PHE  43 -11.528  -3.350   1.720
  332    HB2  PHE  43           1HB      PHE  43  -9.497  -1.206   1.192
  333    HB3  PHE  43           2HB      PHE  43  -9.317  -2.821   0.519
  334    HD1  PHE  43           1HD      PHE  43 -10.949  -3.679  -1.121
  335    HD2  PHE  43           2HD      PHE  43 -11.166   0.291   0.403
  336    HE1  PHE  43           1HE      PHE  43 -12.490  -3.063  -2.939
  337    HE2  PHE  43           2HE      PHE  43 -12.704   0.910  -1.416
  338    HZ   PHE  43           HZ       PHE  43 -13.369  -0.771  -3.089
  339    H    SER  44           H        SER  44  -9.893  -1.950   4.346
  340    HA   SER  44           HA       SER  44  -7.836  -3.992   4.537
  341    HB2  SER  44           1HB      SER  44  -6.932  -2.727   6.302
  342    HB3  SER  44           2HB      SER  44  -7.678  -1.478   5.298
  343    HG   SER  44           HG       SER  44  -9.469  -1.502   6.693
  344    H    GLU  45           H        GLU  45 -10.992  -3.315   5.512
  345    HA   GLU  45           HA       GLU  45 -11.070  -5.216   7.700
  346    HB2  GLU  45           1HB      GLU  45 -12.453  -3.176   7.765
  347    HB3  GLU  45           2HB      GLU  45 -13.268  -3.675   6.293
  348    HG2  GLU  45           1HG      GLU  45 -14.157  -5.634   7.474
  349    HG3  GLU  45           2HG      GLU  45 -13.375  -5.078   8.952
  350    H    GLN  46           H        GLN  46 -11.440  -5.114   4.304
  351    HA   GLN  46           HA       GLN  46 -12.794  -7.675   4.347
  352    HB2  GLN  46           1HB      GLN  46 -13.464  -7.238   2.028
  353    HB3  GLN  46           2HB      GLN  46 -14.102  -6.109   3.205
  354    HG2  GLN  46           1HG      GLN  46 -13.462  -4.571   1.799
  355    HG3  GLN  46           2HG      GLN  46 -11.847  -4.835   2.437
  356   HE21  GLN  46          1HE2      GLN  46 -10.387  -5.975   1.203
  357   HE22  GLN  46          2HE2      GLN  46 -10.626  -6.314  -0.475
  358    H    TYR  47           H        TYR  47  -9.751  -6.923   4.374
  359    HA   TYR  47           HA       TYR  47  -9.038  -9.030   2.420
  360    HB2  TYR  47           1HB      TYR  47  -7.092  -7.542   4.195
  361    HB3  TYR  47           2HB      TYR  47  -6.701  -8.641   2.875
  362    HD1  TYR  47           1HD      TYR  47  -8.916  -7.399   1.034
  363    HD2  TYR  47           2HD      TYR  47  -5.698  -5.804   3.319
  364    HE1  TYR  47           1HE      TYR  47  -8.756  -5.508  -0.525
  365    HE2  TYR  47           2HE      TYR  47  -5.549  -3.907   1.765
  366    HH   TYR  47           HH       TYR  47  -7.942  -3.239  -0.578
  367    HA   PRO  48           HA       PRO  48  -9.225 -11.744   6.069
  368    HB2  PRO  48           1HB      PRO  48  -9.429 -14.045   4.639
  369    HB3  PRO  48           2HB      PRO  48 -10.817 -13.026   5.035
  370    HG2  PRO  48           1HG      PRO  48  -9.253 -13.192   2.491
  371    HG3  PRO  48           2HG      PRO  48 -11.007 -13.066   2.720
  372    HD2  PRO  48           1HD      PRO  48  -9.458 -10.943   2.060
  373    HD3  PRO  48           2HD      PRO  48 -10.928 -10.789   3.041
  374    H    GLN  49           H        GLN  49  -7.289 -12.223   3.096
  375    HA   GLN  49           HA       GLN  49  -5.314 -13.661   4.722
  376    HB2  GLN  49           1HB      GLN  49  -4.501 -14.668   2.672
  377    HB3  GLN  49           2HB      GLN  49  -6.218 -14.971   2.883
  378    HG2  GLN  49           1HG      GLN  49  -6.773 -13.301   1.261
  379    HG3  GLN  49           2HG      GLN  49  -5.087 -12.802   1.134
  380   HE21  GLN  49          1HE2      GLN  49  -3.637 -14.102   0.026
  381   HE22  GLN  49          2HE2      GLN  49  -4.162 -15.346  -1.053
  382    H    ALA  50           H        ALA  50  -5.760 -10.718   3.131
  383    HA   ALA  50           HA       ALA  50  -2.899 -10.401   2.605
  384    HB1  ALA  50           1HB      ALA  50  -3.556  -8.470   1.233
  385    HB2  ALA  50           2HB      ALA  50  -5.247  -8.790   1.613
  386    HB3  ALA  50           3HB      ALA  50  -4.312  -9.967   0.694
  387    H    ASP  51           H        ASP  51  -1.783  -8.693   3.413
  388    HA   ASP  51           HA       ASP  51  -2.992  -7.346   5.717
  389    HB2  ASP  51           1HB      ASP  51  -0.171  -8.027   4.971
  390    HB3  ASP  51           2HB      ASP  51  -0.471  -6.696   6.080
  391    H    PHE  52           H        PHE  52  -3.198  -5.203   5.854
  392    HA   PHE  52           HA       PHE  52  -2.487  -3.646   3.468
  393    HB2  PHE  52           1HB      PHE  52  -4.956  -4.106   4.529
  394    HB3  PHE  52           2HB      PHE  52  -4.531  -2.592   5.310
  395    HD1  PHE  52           2HD      PHE  52  -2.962  -2.641   2.132
  396    HD2  PHE  52           1HD      PHE  52  -6.710  -2.142   4.041
  397    HE1  PHE  52           2HE      PHE  52  -3.809  -1.452   0.159
  398    HE2  PHE  52           1HE      PHE  52  -7.568  -0.950   2.106
  399    HZ   PHE  52           HZ       PHE  52  -6.118  -0.605   0.134
  400    H    TYR  53           H        TYR  53  -0.985  -2.065   3.776
  401    HA   TYR  53           HA       TYR  53  -0.899  -0.770   6.417
  402    HB2  TYR  53           1HB      TYR  53   1.582  -1.537   4.870
  403    HB3  TYR  53           2HB      TYR  53   1.506  -0.821   6.487
  404    HD1  TYR  53           1HD      TYR  53   0.099  -2.233   8.221
  405    HD2  TYR  53           2HD      TYR  53   1.942  -3.828   4.745
  406    HE1  TYR  53           1HE      TYR  53   0.119  -4.456   9.265
  407    HE2  TYR  53           2HE      TYR  53   1.963  -6.060   5.778
  408    HH   TYR  53           HH       TYR  53   0.160  -6.896   8.398
  409    H    LYS  54           H        LYS  54  -0.271   1.417   6.414
  410    HA   LYS  54           HA       LYS  54   0.005   2.631   3.722
  411    HB2  LYS  54           1HB      LYS  54  -1.137   4.002   6.171
  412    HB3  LYS  54           2HB      LYS  54  -1.024   4.678   4.561
  413    HG2  LYS  54           1HG      LYS  54  -2.834   2.443   5.448
  414    HG3  LYS  54           2HG      LYS  54  -3.305   4.088   5.072
  415    HD2  LYS  54           1HD      LYS  54  -3.746   3.388   2.981
  416    HD3  LYS  54           2HD      LYS  54  -1.987   3.189   2.796
  417    HE2  LYS  54           1HE      LYS  54  -2.244   0.887   3.768
  418    HE3  LYS  54           2HE      LYS  54  -3.990   1.116   3.652
  419    HZ1  LYS  54           3HZ      LYS  54  -3.283  -0.029   1.723
  420    HZ2  LYS  54           1HZ      LYS  54  -2.029   1.068   1.435
  421    HZ3  LYS  54           2HZ      LYS  54  -3.636   1.553   1.241
  422    H    LEU  55           H        LEU  55   1.745   4.089   3.419
  423    HA   LEU  55           HA       LEU  55   3.444   4.532   5.818
  424    HB2  LEU  55           1HB      LEU  55   4.230   5.025   2.944
  425    HB3  LEU  55           2HB      LEU  55   5.269   5.071   4.342
  426    HG   LEU  55           HG       LEU  55   3.945   2.605   3.242
  427   HD11  LEU  55          1HD1      LEU  55   5.731   3.411   1.809
  428   HD12  LEU  55          2HD1      LEU  55   6.224   1.941   2.650
  429   HD13  LEU  55          3HD1      LEU  55   6.817   3.509   3.196
  430   HD21  LEU  55          3HD2      LEU  55   4.191   2.491   5.647
  431   HD22  LEU  55          1HD2      LEU  55   5.885   2.960   5.511
  432   HD23  LEU  55          2HD2      LEU  55   5.342   1.416   4.851
  433    H    ASP  56           H        ASP  56   3.874   6.572   6.556
  434    HA   ASP  56           HA       ASP  56   2.702   8.853   5.178
  435    HB2  ASP  56           1HB      ASP  56   4.303   8.592   7.733
  436    HB3  ASP  56           2HB      ASP  56   3.802  10.138   7.060
  437    H    VAL  57           H        VAL  57   3.783   9.398   3.392
  438    HA   VAL  57           HA       VAL  57   6.393   8.617   2.812
  439    HB   VAL  57           HB       VAL  57   4.304   9.536   1.387
  440   HG11  VAL  57          1HG1      VAL  57   4.632  11.871   1.960
  441   HG12  VAL  57          2HG1      VAL  57   4.915  11.607   0.237
  442   HG13  VAL  57          3HG1      VAL  57   6.279  11.809   1.335
  443   HG21  VAL  57          3HG2      VAL  57   5.802   9.477  -0.563
  444   HG22  VAL  57          1HG2      VAL  57   6.018   8.120   0.542
  445   HG23  VAL  57          2HG2      VAL  57   7.182   9.446   0.537
  446    H    ASP  58           H        ASP  58   5.353  11.248   4.735
  447    HA   ASP  58           HA       ASP  58   7.536  13.017   4.122
  448    HB2  ASP  58           1HB      ASP  58   6.676  14.461   5.746
  449    HB3  ASP  58           2HB      ASP  58   5.241  13.639   5.147
  450    H    GLU  59           H        GLU  59   7.002  10.318   6.168
  451    HA   GLU  59           HA       GLU  59   9.643  10.701   7.414
  452    HB2  GLU  59           1HB      GLU  59   7.395   8.827   8.187
  453    HB3  GLU  59           2HB      GLU  59   8.942   8.950   9.014
  454    HG2  GLU  59           1HG      GLU  59   8.404  11.342   9.472
  455    HG3  GLU  59           2HG      GLU  59   6.790  11.036   8.835
  456    H    LEU  60           H        LEU  60   7.686   8.659   5.390
  457    HA   LEU  60           HA       LEU  60   9.850   6.725   5.130
  458    HB2  LEU  60           1HB      LEU  60   6.947   6.654   4.301
  459    HB3  LEU  60           2HB      LEU  60   8.115   5.519   3.656
  460    HG   LEU  60           HG       LEU  60   6.983   4.453   5.454
  461   HD11  LEU  60          1HD1      LEU  60   9.423   4.073   5.295
  462   HD12  LEU  60          2HD1      LEU  60   8.780   3.856   6.926
  463   HD13  LEU  60          3HD1      LEU  60   9.659   5.327   6.517
  464   HD21  LEU  60          3HD2      LEU  60   6.925   5.348   7.725
  465   HD22  LEU  60          1HD2      LEU  60   6.109   6.417   6.584
  466   HD23  LEU  60          2HD2      LEU  60   7.725   6.816   7.166
  467    H    GLY  61           H        GLY  61  10.719   8.978   4.137
  468    HA2  GLY  61           1HA      GLY  61  10.086   9.317   1.348
  469    HA3  GLY  61           2HA      GLY  61  11.361  10.136   2.239
  470    H    ASP  62           H        ASP  62  12.721   7.872   3.205
  471    HA   ASP  62           HA       ASP  62  14.441   7.326   1.053
  472    HB2  ASP  62           1HB      ASP  62  14.108   5.839   3.667
  473    HB3  ASP  62           2HB      ASP  62  15.422   5.567   2.534
  474    H    VAL  63           H        VAL  63  11.987   5.273   2.608
  475    HA   VAL  63           HA       VAL  63  12.337   3.082   0.874
  476    HB   VAL  63           HB       VAL  63  11.162   2.715   2.945
  477   HG11  VAL  63          1HG1      VAL  63  10.191   4.932   3.190
  478   HG12  VAL  63          2HG1      VAL  63   9.034   3.630   3.467
  479   HG13  VAL  63          3HG1      VAL  63   9.005   4.530   1.947
  480   HG21  VAL  63          3HG2      VAL  63   9.279   2.437   0.621
  481   HG22  VAL  63          1HG2      VAL  63   9.139   1.588   2.161
  482   HG23  VAL  63          2HG2      VAL  63  10.517   1.274   1.102
  483    H    ALA  64           H        ALA  64  10.242   5.916   0.719
  484    HA   ALA  64           HA       ALA  64   8.796   5.255  -1.568
  485    HB1  ALA  64           1HB      ALA  64   8.398   7.641  -1.825
  486    HB2  ALA  64           2HB      ALA  64   9.710   7.992  -0.700
  487    HB3  ALA  64           3HB      ALA  64   8.259   7.163  -0.134
  488    H    GLN  65           H        GLN  65  12.040   6.541  -1.203
  489    HA   GLN  65           HA       GLN  65  12.357   7.137  -3.992
  490    HB2  GLN  65           1HB      GLN  65  14.344   6.924  -1.721
  491    HB3  GLN  65           2HB      GLN  65  14.789   7.379  -3.362
  492    HG2  GLN  65           1HG      GLN  65  13.274   9.311  -3.205
  493    HG3  GLN  65           2HG      GLN  65  12.913   8.861  -1.537
  494   HE21  GLN  65          1HE2      GLN  65  15.299  10.132  -3.713
  495   HE22  GLN  65          2HE2      GLN  65  16.382  10.727  -2.504
  496    H    LYS  66           H        LYS  66  13.226   4.495  -1.838
  497    HA   LYS  66           HA       LYS  66  14.782   2.968  -3.530
  498    HB2  LYS  66           1HB      LYS  66  12.783   2.071  -1.457
  499    HB3  LYS  66           2HB      LYS  66  14.052   1.069  -2.137
  500    HG2  LYS  66           1HG      LYS  66  15.712   2.692  -1.215
  501    HG3  LYS  66           2HG      LYS  66  14.365   3.487  -0.401
  502    HD2  LYS  66           1HD      LYS  66  13.843   1.365   0.744
  503    HD3  LYS  66           2HD      LYS  66  15.261   0.637  -0.012
  504    HE2  LYS  66           1HE      LYS  66  15.247   2.979   1.890
  505    HE3  LYS  66           2HE      LYS  66  15.769   1.338   2.261
  506    HZ1  LYS  66           3HZ      LYS  66  17.047   3.196   0.330
  507    HZ2  LYS  66           1HZ      LYS  66  17.523   1.593   0.582
  508    HZ3  LYS  66           2HZ      LYS  66  17.666   2.726   1.830
  509    H    ASN  67           H        ASN  67  11.305   3.226  -3.248
  510    HA   ASN  67           HA       ASN  67  10.916   1.201  -5.309
  511    HB2  ASN  67           1HB      ASN  67   8.955   2.645  -3.514
  512    HB3  ASN  67           2HB      ASN  67   8.496   1.454  -4.725
  513   HD21  ASN  67          1HD2      ASN  67  10.210   1.968  -1.721
  514   HD22  ASN  67          2HD2      ASN  67  10.238   0.312  -1.225
  515    H    GLU  68           H        GLU  68  11.694   4.268  -5.356
  516    HA   GLU  68           HA       GLU  68  11.568   5.997  -6.792
  517    HB2  GLU  68           1HB      GLU  68  10.659   3.825  -8.680
  518    HB3  GLU  68           2HB      GLU  68  11.157   5.438  -9.171
  519    HG2  GLU  68           1HG      GLU  68  13.363   4.956  -8.020
  520    HG3  GLU  68           2HG      GLU  68  12.830   3.279  -7.930
  521    H    VAL  69           H        VAL  69   9.514   6.044  -5.135
  522    HA   VAL  69           HA       VAL  69   7.000   6.278  -6.540
  523    HB   VAL  69           HB       VAL  69   7.779   6.913  -3.690
  524   HG11  VAL  69          1HG1      VAL  69   5.408   7.089  -3.201
  525   HG12  VAL  69          2HG1      VAL  69   5.020   6.819  -4.898
  526   HG13  VAL  69          3HG1      VAL  69   5.874   8.283  -4.413
  527   HG21  VAL  69          3HG2      VAL  69   6.256   4.598  -4.876
  528   HG22  VAL  69          1HG2      VAL  69   6.527   4.873  -3.156
  529   HG23  VAL  69          2HG2      VAL  69   7.894   4.546  -4.224
  530    H    SER  70           H        SER  70   6.419   8.029  -7.628
  531    HA   SER  70           HA       SER  70   7.411  10.636  -6.725
  532    HB2  SER  70           1HB      SER  70   8.432   9.934  -8.864
  533    HB3  SER  70           2HB      SER  70   6.820   9.866  -9.548
  534    HG   SER  70           HG       SER  70   6.695  12.162  -8.777
  535    H    ALA  71           H        ALA  71   4.738   8.683  -7.405
  536    HA   ALA  71           HA       ALA  71   2.940  11.014  -7.443
  537    HB1  ALA  71           1HB      ALA  71   2.708   9.628  -9.423
  538    HB2  ALA  71           2HB      ALA  71   1.261   9.501  -8.424
  539    HB3  ALA  71           3HB      ALA  71   2.451   8.200  -8.420
  540    H    MET  72           H        MET  72   0.873  10.711  -6.268
  541    HA   MET  72           HA       MET  72   1.008   8.743  -4.117
  542    HB2  MET  72           1HB      MET  72   0.429  10.515  -2.436
  543    HB3  MET  72           2HB      MET  72   2.058  10.632  -3.085
  544    HG2  MET  72           1HG      MET  72   1.318  12.826  -3.048
  545    HG3  MET  72           2HG      MET  72   1.081  12.338  -4.722
  546    HE1  MET  72           3HE      MET  72  -0.334  14.912  -3.967
  547    HE2  MET  72           1HE      MET  72  -1.974  14.607  -4.537
  548    HE3  MET  72           2HE      MET  72  -0.593  14.046  -5.482
  549    HA   PRO  73           HA       PRO  73  -0.056   7.998  -2.566
  550    HB2  PRO  73           1HB      PRO  73  -2.220   6.067  -2.540
  551    HB3  PRO  73           2HB      PRO  73  -1.651   7.102  -1.231
  552    HG2  PRO  73           1HG      PRO  73  -4.072   7.411  -2.433
  553    HG3  PRO  73           2HG      PRO  73  -3.169   8.750  -1.701
  554    HD2  PRO  73           1HD      PRO  73  -3.389   7.965  -4.583
  555    HD3  PRO  73           2HD      PRO  73  -3.424   9.582  -3.851
  556    H    THR  74           H        THR  74   0.746   5.717  -2.600
  557    HA   THR  74           HA       THR  74   0.604   4.575  -5.295
  558    HB   THR  74           HB       THR  74   3.063   4.836  -3.552
  559    HG1  THR  74           1HG      THR  74   2.538   6.723  -4.748
  560   HG21  THR  74          3HG2      THR  74   3.055   2.675  -4.711
  561   HG22  THR  74          1HG2      THR  74   4.286   3.752  -5.375
  562   HG23  THR  74          2HG2      THR  74   2.772   3.498  -6.245
  563    H    LEU  75           H        LEU  75  -0.227   2.607  -5.262
  564    HA   LEU  75           HA       LEU  75  -0.234   1.114  -2.732
  565    HB2  LEU  75           1HB      LEU  75  -2.170   1.469  -4.948
  566    HB3  LEU  75           2HB      LEU  75  -2.100  -0.102  -4.183
  567    HG   LEU  75           HG       LEU  75  -3.879   1.320  -3.249
  568   HD11  LEU  75          1HD1      LEU  75  -1.620   0.631  -1.394
  569   HD12  LEU  75          2HD1      LEU  75  -3.022  -0.353  -1.805
  570   HD13  LEU  75          3HD1      LEU  75  -3.225   1.116  -0.851
  571   HD21  LEU  75          3HD2      LEU  75  -3.244   3.250  -1.824
  572   HD22  LEU  75          1HD2      LEU  75  -2.936   3.504  -3.543
  573   HD23  LEU  75          2HD2      LEU  75  -1.602   3.123  -2.455
  574    H    LEU  76           H        LEU  76   1.322  -0.399  -2.759
  575    HA   LEU  76           HA       LEU  76   1.505  -2.037  -5.202
  576    HB2  LEU  76           1HB      LEU  76   3.828  -1.529  -3.344
  577    HB3  LEU  76           2HB      LEU  76   3.868  -2.227  -4.948
  578    HG   LEU  76           HG       LEU  76   3.226   0.664  -4.365
  579   HD11  LEU  76          1HD1      LEU  76   5.463   1.141  -5.215
  580   HD12  LEU  76          2HD1      LEU  76   5.785  -0.587  -5.355
  581   HD13  LEU  76          3HD1      LEU  76   5.533   0.137  -3.766
  582   HD21  LEU  76          3HD2      LEU  76   2.241  -0.150  -6.432
  583   HD22  LEU  76          1HD2      LEU  76   3.805  -0.785  -6.942
  584   HD23  LEU  76          2HD2      LEU  76   3.574   0.955  -6.770
  585    H    LEU  77           H        LEU  77   0.706  -3.994  -4.747
  586    HA   LEU  77           HA       LEU  77   1.105  -5.007  -2.045
  587    HB2  LEU  77           1HB      LEU  77  -0.035  -6.991  -3.700
  588    HB3  LEU  77           2HB      LEU  77  -0.768  -6.123  -2.376
  589    HG   LEU  77           HG       LEU  77  -0.760  -5.149  -5.235
  590   HD11  LEU  77          1HD1      LEU  77  -3.121  -5.890  -5.190
  591   HD12  LEU  77          2HD1      LEU  77  -2.846  -6.599  -3.597
  592   HD13  LEU  77          3HD1      LEU  77  -1.993  -7.234  -5.009
  593   HD21  LEU  77          3HD2      LEU  77  -2.434  -4.282  -2.876
  594   HD22  LEU  77          1HD2      LEU  77  -2.456  -3.606  -4.504
  595   HD23  LEU  77          2HD2      LEU  77  -1.031  -3.400  -3.485
  596    H    PHE  78           H        PHE  78   2.723  -6.234  -1.512
  597    HA   PHE  78           HA       PHE  78   4.415  -7.210  -3.681
  598    HB2  PHE  78           1HB      PHE  78   4.966  -6.255  -0.907
  599    HB3  PHE  78           2HB      PHE  78   6.095  -7.368  -1.661
  600    HD1  PHE  78           2HD      PHE  78   7.426  -6.678  -3.566
  601    HD2  PHE  78           1HD      PHE  78   4.722  -3.988  -1.683
  602    HE1  PHE  78           2HE      PHE  78   8.517  -4.791  -4.707
  603    HE2  PHE  78           1HE      PHE  78   5.808  -2.095  -2.816
  604    HZ   PHE  78           HZ       PHE  78   7.707  -2.494  -4.333
  605    H    LYS  79           H        LYS  79   5.485  -9.217  -3.477
  606    HA   LYS  79           HA       LYS  79   4.452 -11.083  -1.480
  607    HB2  LYS  79           1HB      LYS  79   3.036 -11.343  -3.417
  608    HB3  LYS  79           2HB      LYS  79   4.434 -11.449  -4.475
  609    HG2  LYS  79           1HG      LYS  79   5.047 -13.566  -3.313
  610    HG3  LYS  79           2HG      LYS  79   3.538 -13.452  -2.405
  611    HD2  LYS  79           1HD      LYS  79   3.214 -14.934  -4.278
  612    HD3  LYS  79           2HD      LYS  79   2.300 -13.452  -4.557
  613    HE2  LYS  79           1HE      LYS  79   4.069 -12.625  -6.021
  614    HE3  LYS  79           2HE      LYS  79   5.013 -14.081  -5.715
  615    HZ1  LYS  79           3HZ      LYS  79   2.360 -13.988  -7.041
  616    HZ2  LYS  79           1HZ      LYS  79   3.266 -15.386  -6.751
  617    HZ3  LYS  79           2HZ      LYS  79   3.844 -14.209  -7.817
  618    H    ASN  80           H        ASN  80   6.136 -12.014  -0.554
  619    HA   ASN  80           HA       ASN  80   8.282 -12.552  -0.041
  620    HB2  ASN  80           1HB      ASN  80   9.200 -13.758  -2.455
  621    HB3  ASN  80           2HB      ASN  80   8.677 -14.536  -0.972
  622   HD21  ASN  80          1HD2      ASN  80   7.816 -13.628  -4.191
  623   HD22  ASN  80          2HD2      ASN  80   6.341 -14.521  -4.272
  624    H    GLY  81           H        GLY  81   8.085  -9.926  -0.970
  625    HA2  GLY  81           1HA      GLY  81   9.434  -8.174  -1.594
  626    HA3  GLY  81           2HA      GLY  81  10.783  -9.291  -1.481
  627    H    LYS  82           H        LYS  82   8.358 -10.309  -3.620
  628    HA   LYS  82           HA       LYS  82   9.958  -9.408  -5.913
  629    HB2  LYS  82           1HB      LYS  82   8.591 -12.035  -5.369
  630    HB3  LYS  82           2HB      LYS  82   9.221 -11.582  -6.939
  631    HG2  LYS  82           1HG      LYS  82  11.465 -11.439  -6.037
  632    HG3  LYS  82           2HG      LYS  82  10.853 -11.801  -4.423
  633    HD2  LYS  82           1HD      LYS  82  10.116 -13.997  -5.189
  634    HD3  LYS  82           2HD      LYS  82  10.697 -13.633  -6.815
  635    HE2  LYS  82           1HE      LYS  82  12.300 -15.018  -5.614
  636    HE3  LYS  82           2HE      LYS  82  12.978 -13.428  -5.955
  637    HZ1  LYS  82           3HZ      LYS  82  13.459 -14.180  -3.697
  638    HZ2  LYS  82           1HZ      LYS  82  11.807 -14.261  -3.354
  639    HZ3  LYS  82           2HZ      LYS  82  12.530 -12.770  -3.689
  640    H    GLU  83           H        GLU  83   7.442  -8.538  -4.476
  641    HA   GLU  83           HA       GLU  83   5.574  -7.424  -4.932
  642    HB2  GLU  83           1HB      GLU  83   5.325  -6.260  -6.964
  643    HB3  GLU  83           2HB      GLU  83   7.051  -6.380  -6.681
  644    HG2  GLU  83           1HG      GLU  83   7.110  -8.289  -8.274
  645    HG3  GLU  83           2HG      GLU  83   5.411  -7.984  -8.626
  646    H    VAL  84           H        VAL  84   3.496  -7.426  -6.316
  647    HA   VAL  84           HA       VAL  84   2.905  -9.989  -7.511
  648    HB   VAL  84           HB       VAL  84   2.320  -9.895  -4.956
  649   HG11  VAL  84          1HG1      VAL  84  -0.052  -9.279  -4.582
  650   HG12  VAL  84          2HG1      VAL  84  -0.073  -8.557  -6.191
  651   HG13  VAL  84          3HG1      VAL  84   0.997  -7.905  -4.949
  652   HG21  VAL  84          3HG2      VAL  84   0.489 -11.010  -7.056
  653   HG22  VAL  84          1HG2      VAL  84   0.468 -11.466  -5.350
  654   HG23  VAL  84          2HG2      VAL  84   1.894 -11.798  -6.337
  655    H    ALA  85           H        ALA  85   2.024  -6.678  -6.780
  656    HA   ALA  85           HA       ALA  85   1.050  -6.291  -9.468
  657    HB1  ALA  85           1HB      ALA  85  -0.887  -5.908  -7.198
  658    HB2  ALA  85           2HB      ALA  85  -0.997  -7.152  -8.442
  659    HB3  ALA  85           3HB      ALA  85  -1.166  -5.445  -8.880
  660    H    LYS  86           H        LYS  86   0.382  -4.022  -9.835
  661    HA   LYS  86           HA       LYS  86   1.329  -2.175  -7.807
  662    HB2  LYS  86           1HB      LYS  86   3.314  -2.482  -9.115
  663    HB3  LYS  86           2HB      LYS  86   2.418  -2.302 -10.618
  664    HG2  LYS  86           1HG      LYS  86   1.995   0.034 -10.115
  665    HG3  LYS  86           2HG      LYS  86   2.831  -0.131  -8.572
  666    HD2  LYS  86           1HD      LYS  86   4.864  -0.827  -9.885
  667    HD3  LYS  86           2HD      LYS  86   3.994  -0.328 -11.338
  668    HE2  LYS  86           1HE      LYS  86   3.739   1.931 -10.363
  669    HE3  LYS  86           2HE      LYS  86   4.688   1.408  -8.973
  670    HZ1  LYS  86           3HZ      LYS  86   6.078   2.574 -10.532
  671    HZ2  LYS  86           1HZ      LYS  86   5.631   1.530 -11.782
  672    HZ3  LYS  86           2HZ      LYS  86   6.541   0.952 -10.481
  673    H    VAL  87           H        VAL  87  -0.093  -0.599  -7.537
  674    HA   VAL  87           HA       VAL  87  -1.247   0.632  -9.951
  675    HB   VAL  87           HB       VAL  87  -2.737   0.498  -7.319
  676   HG11  VAL  87          1HG1      VAL  87  -4.628   1.266  -8.698
  677   HG12  VAL  87          2HG1      VAL  87  -3.562   1.332 -10.101
  678   HG13  VAL  87          3HG1      VAL  87  -3.275   2.401  -8.724
  679   HG21  VAL  87          3HG2      VAL  87  -4.201  -1.174  -8.251
  680   HG22  VAL  87          1HG2      VAL  87  -2.543  -1.772  -8.308
  681   HG23  VAL  87          2HG2      VAL  87  -3.309  -1.163  -9.776
  682    H    VAL  88           H        VAL  88  -1.256   2.865  -9.912
  683    HA   VAL  88           HA       VAL  88  -0.001   4.134  -7.616
  684    HB   VAL  88           HB       VAL  88   1.913   3.377  -8.739
  685   HG11  VAL  88          1HG1      VAL  88   2.310   3.559 -11.111
  686   HG12  VAL  88          2HG1      VAL  88   0.787   4.418 -11.328
  687   HG13  VAL  88          3HG1      VAL  88   0.777   2.725 -10.816
  688   HG21  VAL  88          3HG2      VAL  88   2.105   5.707  -8.083
  689   HG22  VAL  88          1HG2      VAL  88   1.462   6.218  -9.644
  690   HG23  VAL  88          2HG2      VAL  88   3.023   5.400  -9.558
  691    H    GLY  89           H        GLY  89  -1.992   5.247  -7.463
  692    HA2  GLY  89           1HA      GLY  89  -1.938   7.843  -8.058
  693    HA3  GLY  89           2HA      GLY  89  -2.591   7.188  -9.550
  694    H    ALA  90           H        ALA  90  -3.128   6.829  -6.046
  695    HA   ALA  90           HA       ALA  90  -5.011   6.835  -4.767
  696    HB1  ALA  90           1HB      ALA  90  -5.150   9.137  -5.597
  697    HB2  ALA  90           2HB      ALA  90  -6.749   8.438  -5.334
  698    HB3  ALA  90           3HB      ALA  90  -6.107   8.579  -6.971
  699    H    ASN  91           H        ASN  91  -5.456   4.623  -4.964
  700    HA   ASN  91           HA       ASN  91  -7.614   3.988  -6.850
  701    HB2  ASN  91           1HB      ASN  91  -6.645   1.690  -7.018
  702    HB3  ASN  91           2HB      ASN  91  -5.664   2.955  -7.748
  703   HD21  ASN  91          1HD2      ASN  91  -5.168   0.218  -6.546
  704   HD22  ASN  91          2HD2      ASN  91  -3.833   0.466  -5.482
  705    HA   PRO  92           HA       PRO  92  -9.207   2.509  -2.763
  706    HB2  PRO  92           1HB      PRO  92 -11.688   3.706  -3.772
  707    HB3  PRO  92           2HB      PRO  92 -10.898   3.930  -2.211
  708    HG2  PRO  92           1HG      PRO  92 -10.988   5.863  -4.105
  709    HG3  PRO  92           2HG      PRO  92  -9.661   5.709  -2.942
  710    HD2  PRO  92           1HD      PRO  92  -9.762   4.932  -5.825
  711    HD3  PRO  92           2HD      PRO  92  -8.413   5.593  -4.882
  712    H    ALA  93           H        ALA  93 -10.748   2.811  -5.967
  713    HA   ALA  93           HA       ALA  93 -12.081   0.255  -5.635
  714    HB1  ALA  93           1HB      ALA  93 -13.146   0.740  -7.761
  715    HB2  ALA  93           2HB      ALA  93 -12.090   2.133  -7.994
  716    HB3  ALA  93           3HB      ALA  93 -13.269   2.130  -6.684
  717    H    ALA  94           H        ALA  94  -9.412   1.638  -7.474
  718    HA   ALA  94           HA       ALA  94  -9.043  -0.719  -9.065
  719    HB1  ALA  94           1HB      ALA  94  -7.262   1.674  -8.684
  720    HB2  ALA  94           2HB      ALA  94  -8.373   1.368 -10.014
  721    HB3  ALA  94           3HB      ALA  94  -6.945   0.353  -9.805
  722    H    ILE  95           H        ILE  95  -8.011   0.223  -5.878
  723    HA   ILE  95           HA       ILE  95  -5.836  -1.539  -5.635
  724    HB   ILE  95           HB       ILE  95  -6.741   0.034  -3.775
  725   HG12  ILE  95          1HG1      ILE  95  -5.677  -1.293  -2.056
  726   HG13  ILE  95          2HG1      ILE  95  -5.995  -2.785  -2.940
  727   HG21  ILE  95          1HG2      ILE  95  -8.200  -0.994  -2.121
  728   HG22  ILE  95          2HG2      ILE  95  -8.368  -2.431  -3.142
  729   HG23  ILE  95          3HG2      ILE  95  -9.016  -0.874  -3.681
  730   HD11  ILE  95          3HD1      ILE  95  -4.393  -2.210  -4.605
  731   HD12  ILE  95          1HD1      ILE  95  -3.643  -2.006  -3.026
  732   HD13  ILE  95          2HD1      ILE  95  -4.190  -0.595  -3.931
  733    H    LYS  96           H        LYS  96  -9.280  -1.975  -5.564
  734    HA   LYS  96           HA       LYS  96  -9.381  -4.632  -4.748
  735    HB2  LYS  96           1HB      LYS  96 -11.293  -3.035  -4.846
  736    HB3  LYS  96           2HB      LYS  96 -11.288  -3.196  -6.597
  737    HG2  LYS  96           1HG      LYS  96 -12.988  -4.603  -5.670
  738    HG3  LYS  96           2HG      LYS  96 -11.692  -5.587  -6.350
  739    HD2  LYS  96           1HD      LYS  96 -10.752  -5.927  -4.120
  740    HD3  LYS  96           2HD      LYS  96 -12.032  -4.918  -3.430
  741    HE2  LYS  96           1HE      LYS  96 -13.713  -6.503  -4.318
  742    HE3  LYS  96           2HE      LYS  96 -12.404  -7.537  -4.878
  743    HZ1  LYS  96           3HZ      LYS  96 -13.333  -8.248  -2.747
  744    HZ2  LYS  96           1HZ      LYS  96 -12.869  -6.780  -2.042
  745    HZ3  LYS  96           2HZ      LYS  96 -11.697  -7.858  -2.620
  746    H    GLN  97           H        GLN  97  -8.709  -3.133  -7.836
  747    HA   GLN  97           HA       GLN  97  -8.889  -5.357  -9.520
  748    HB2  GLN  97           1HB      GLN  97  -8.531  -3.058 -10.353
  749    HB3  GLN  97           2HB      GLN  97  -6.923  -3.044  -9.651
  750    HG2  GLN  97           1HG      GLN  97  -7.728  -5.069 -11.713
  751    HG3  GLN  97           2HG      GLN  97  -7.157  -3.469 -12.163
  752   HE21  GLN  97          1HE2      GLN  97  -5.174  -3.223 -10.107
  753   HE22  GLN  97          2HE2      GLN  97  -3.894  -4.344 -10.463
  754    H    ALA  98           H        ALA  98  -6.032  -4.036  -7.868
  755    HA   ALA  98           HA       ALA  98  -4.420  -6.330  -8.485
  756    HB1  ALA  98           1HB      ALA  98  -2.740  -5.241  -6.991
  757    HB2  ALA  98           2HB      ALA  98  -3.964  -4.053  -6.534
  758    HB3  ALA  98           3HB      ALA  98  -3.389  -4.128  -8.198
  759    H    ILE  99           H        ILE  99  -6.510  -5.446  -5.993
  760    HA   ILE  99           HA       ILE  99  -5.315  -7.093  -4.003
  761    HB   ILE  99           HB       ILE  99  -7.063  -4.930  -3.996
  762   HG12  ILE  99          1HG1      ILE  99  -5.286  -5.206  -2.462
  763   HG13  ILE  99          2HG1      ILE  99  -6.770  -5.238  -1.506
  764   HG21  ILE  99          1HG2      ILE  99  -8.418  -7.110  -2.477
  765   HG22  ILE  99          2HG2      ILE  99  -8.917  -6.638  -4.101
  766   HG23  ILE  99          3HG2      ILE  99  -8.965  -5.454  -2.787
  767   HD11  ILE  99          3HD1      ILE  99  -4.789  -7.322  -1.919
  768   HD12  ILE  99          1HD1      ILE  99  -6.455  -7.865  -2.190
  769   HD13  ILE  99          2HD1      ILE  99  -5.991  -7.131  -0.640
  770    H    ALA 100           H        ALA 100  -8.087  -7.386  -6.111
  771    HA   ALA 100           HA       ALA 100  -8.870  -9.822  -4.775
  772    HB1  ALA 100           1HB      ALA 100 -10.065  -8.531  -7.234
  773    HB2  ALA 100           2HB      ALA 100 -10.620  -8.297  -5.577
  774    HB3  ALA 100           3HB      ALA 100 -10.753  -9.884  -6.335
  775    H    ALA 101           H        ALA 101  -7.337  -8.764  -7.728
  776    HA   ALA 101           HA       ALA 101  -7.296 -11.255  -9.051
  777    HB1  ALA 101           1HB      ALA 101  -6.902  -9.145 -10.221
  778    HB2  ALA 101           2HB      ALA 101  -5.566 -10.270 -10.463
  779    HB3  ALA 101           3HB      ALA 101  -5.395  -8.930  -9.331
  780    H    ASN 102           H        ASN 102  -5.068  -9.679  -6.768
  781    HA   ASN 102           HA       ASN 102  -3.322 -12.027  -7.013
  782    HB2  ASN 102           1HB      ASN 102  -2.841  -9.387  -5.649
  783    HB3  ASN 102           2HB      ASN 102  -1.683 -10.716  -5.697
  784   HD21  ASN 102          1HD2      ASN 102  -3.196  -8.191  -7.450
  785   HD22  ASN 102          2HD2      ASN 102  -2.255  -8.329  -8.901
  786    H    ALA 103           H        ALA 103  -4.414 -10.095  -4.194
  787    HA   ALA 103           HA       ALA 103  -4.011 -12.133  -2.304
  788    HB1  ALA 103           1HB      ALA 103  -5.246 -10.838  -0.750
  789    HB2  ALA 103           2HB      ALA 103  -6.180 -10.067  -2.028
  790    HB3  ALA 103           3HB      ALA 103  -4.480  -9.675  -1.832
  Start of MODEL   17
    1    H1   MET   1           1H       MET   1  -8.020  -0.913  11.367
    2    H2   MET   1           2H       MET   1  -8.343   0.175  12.620
    3    H3   MET   1           3H       MET   1  -7.027  -0.879  12.732
    4    HA   MET   1           HA       MET   1  -7.325   1.262  10.719
    5    HB2  MET   1           1HB      MET   1  -6.088   1.189  13.412
    6    HB3  MET   1           2HB      MET   1  -5.160   1.981  12.146
    7    HG2  MET   1           1HG      MET   1  -7.988   2.658  12.920
    8    HG3  MET   1           2HG      MET   1  -6.548   3.550  13.405
    9    HE1  MET   1           3HE      MET   1  -5.016   4.903  11.766
   10    HE2  MET   1           1HE      MET   1  -5.280   5.028  10.027
   11    HE3  MET   1           2HE      MET   1  -4.773   3.494  10.733
   12    H    VAL   2           H        VAL   2  -6.014   1.098   9.030
   13    HA   VAL   2           HA       VAL   2  -4.200  -1.133   8.876
   14    HB   VAL   2           HB       VAL   2  -4.846  -1.056   6.762
   15   HG11  VAL   2          1HG1      VAL   2  -5.742   1.789   7.130
   16   HG12  VAL   2          2HG1      VAL   2  -6.734   0.330   7.236
   17   HG13  VAL   2          3HG1      VAL   2  -6.025   0.802   5.692
   18   HG21  VAL   2          3HG2      VAL   2  -3.197   1.452   6.578
   19   HG22  VAL   2          1HG2      VAL   2  -3.699   0.434   5.231
   20   HG23  VAL   2          2HG2      VAL   2  -2.602  -0.203   6.454
   21    H    THR   3           H        THR   3  -2.122  -1.153   9.122
   22    HA   THR   3           HA       THR   3  -1.020   0.809  10.810
   23    HB   THR   3           HB       THR   3  -0.300  -1.837   9.748
   24    HG1  THR   3           1HG      THR   3   0.143  -2.180  11.936
   25   HG21  THR   3          3HG2      THR   3   1.884  -0.019  10.761
   26   HG22  THR   3          1HG2      THR   3   1.702  -0.588   9.096
   27   HG23  THR   3          2HG2      THR   3   2.037  -1.738  10.400
   28    H    GLN   4           H        GLN   4   0.584   2.241  10.578
   29    HA   GLN   4           HA       GLN   4   1.735   2.619   7.905
   30    HB2  GLN   4           1HB      GLN   4   2.449   4.886   8.945
   31    HB3  GLN   4           2HB      GLN   4   0.776   4.670   8.462
   32    HG2  GLN   4           1HG      GLN   4   0.590   5.693  10.518
   33    HG3  GLN   4           2HG      GLN   4   0.377   3.985  10.907
   34   HE21  GLN   4          1HE2      GLN   4   3.487   5.490  10.188
   35   HE22  GLN   4          2HE2      GLN   4   4.130   5.316  11.782
   36    H    PHE   5           H        PHE   5   3.892   2.438   7.628
   37    HA   PHE   5           HA       PHE   5   5.434   1.342   9.829
   38    HB2  PHE   5           1HB      PHE   5   6.049   1.633   6.887
   39    HB3  PHE   5           2HB      PHE   5   7.226   1.061   8.055
   40    HD1  PHE   5           2HD      PHE   5   5.508  -0.686   9.743
   41    HD2  PHE   5           1HD      PHE   5   5.694  -0.205   5.519
   42    HE1  PHE   5           2HE      PHE   5   4.702  -2.991   9.444
   43    HE2  PHE   5           1HE      PHE   5   4.894  -2.513   5.205
   44    HZ   PHE   5           HZ       PHE   5   4.395  -3.905   7.178
   45    H    LYS   6           H        LYS   6   7.724   2.140  10.076
   46    HA   LYS   6           HA       LYS   6   7.818   5.052   9.717
   47    HB2  LYS   6           1HB      LYS   6   9.001   5.170  11.897
   48    HB3  LYS   6           2HB      LYS   6   7.334   4.619  12.016
   49    HG2  LYS   6           1HG      LYS   6   8.337   2.254  11.981
   50    HG3  LYS   6           2HG      LYS   6   9.865   3.053  12.346
   51    HD2  LYS   6           1HD      LYS   6   8.970   3.993  14.357
   52    HD3  LYS   6           2HD      LYS   6   7.349   3.427  13.957
   53    HE2  LYS   6           1HE      LYS   6   8.226   1.089  14.068
   54    HE3  LYS   6           2HE      LYS   6   9.751   1.749  14.660
   55    HZ1  LYS   6           3HZ      LYS   6   8.367   1.021  16.486
   56    HZ2  LYS   6           1HZ      LYS   6   7.104   2.027  15.981
   57    HZ3  LYS   6           2HZ      LYS   6   8.550   2.701  16.542
   58    H    THR   7           H        THR   7   9.357   2.123   9.107
   59    HA   THR   7           HA       THR   7  11.707   3.590   8.184
   60    HB   THR   7           HB       THR   7  13.162   1.671   8.729
   61    HG1  THR   7           1HG      THR   7  11.784   0.533  10.670
   62   HG21  THR   7          3HG2      THR   7  13.363   2.131  11.118
   63   HG22  THR   7          1HG2      THR   7  11.766   2.880  11.115
   64   HG23  THR   7          2HG2      THR   7  13.087   3.618  10.213
   65    H    ALA   8           H        ALA   8  12.679   2.829   6.303
   66    HA   ALA   8           HA       ALA   8  11.094   1.543   4.376
   67    HB1  ALA   8           1HB      ALA   8  13.095   2.944   3.888
   68    HB2  ALA   8           2HB      ALA   8  13.116   1.389   3.057
   69    HB3  ALA   8           3HB      ALA   8  14.117   1.637   4.486
   70    H    SER   9           H        SER   9  13.367   0.360   6.763
   71    HA   SER   9           HA       SER   9  13.506  -2.312   5.894
   72    HB2  SER   9           1HB      SER   9  15.124  -1.346   7.476
   73    HB3  SER   9           2HB      SER   9  13.853  -1.197   8.688
   74    HG   SER   9           HG       SER   9  13.756  -3.384   8.874
   75    H    GLU  10           H        GLU  10  11.226  -0.601   8.032
   76    HA   GLU  10           HA       GLU  10   9.860  -2.906   8.949
   77    HB2  GLU  10           1HB      GLU  10   9.092  -0.028   8.635
   78    HB3  GLU  10           2HB      GLU  10   7.848  -1.211   9.011
   79    HG2  GLU  10           1HG      GLU  10  10.322  -0.672  10.636
   80    HG3  GLU  10           2HG      GLU  10   8.688  -0.134  11.021
   81    H    PHE  11           H        PHE  11   9.366  -0.855   6.143
   82    HA   PHE  11           HA       PHE  11   7.167  -2.280   5.069
   83    HB2  PHE  11           1HB      PHE  11   7.334  -0.136   4.269
   84    HB3  PHE  11           2HB      PHE  11   9.084  -0.201   4.104
   85    HD1  PHE  11           2HD      PHE  11   5.883  -1.120   2.561
   86    HD2  PHE  11           1HD      PHE  11  10.098  -0.907   2.085
   87    HE1  PHE  11           2HE      PHE  11   5.616  -1.502   0.145
   88    HE2  PHE  11           1HE      PHE  11   9.840  -1.288  -0.338
   89    HZ   PHE  11           HZ       PHE  11   7.600  -1.587  -1.308
   90    H    ASP  12           H        ASP  12  10.644  -2.337   4.341
   91    HA   ASP  12           HA       ASP  12  10.559  -4.203   2.275
   92    HB2  ASP  12           1HB      ASP  12  12.607  -3.027   4.007
   93    HB3  ASP  12           2HB      ASP  12  13.007  -4.636   3.424
   94    H    SER  13           H        SER  13  10.768  -4.658   5.762
   95    HA   SER  13           HA       SER  13  11.304  -7.436   5.663
   96    HB2  SER  13           1HB      SER  13  11.715  -5.973   7.657
   97    HB3  SER  13           2HB      SER  13   9.971  -5.895   7.903
   98    HG   SER  13           HG       SER  13   9.946  -8.105   8.279
   99    H    ALA  14           H        ALA  14   8.311  -5.564   5.882
  100    HA   ALA  14           HA       ALA  14   6.585  -7.772   6.224
  101    HB1  ALA  14           1HB      ALA  14   4.817  -6.231   5.362
  102    HB2  ALA  14           2HB      ALA  14   6.084  -5.044   5.046
  103    HB3  ALA  14           3HB      ALA  14   5.764  -5.570   6.699
  104    H    ILE  15           H        ILE  15   7.612  -5.988   3.335
  105    HA   ILE  15           HA       ILE  15   5.960  -7.448   1.572
  106    HB   ILE  15           HB       ILE  15   7.238  -6.411  -0.229
  107   HG12  ILE  15          1HG1      ILE  15   8.968  -5.160   1.889
  108   HG13  ILE  15          2HG1      ILE  15   9.444  -6.625   1.044
  109   HG21  ILE  15          1HG2      ILE  15   5.478  -5.134   0.875
  110   HG22  ILE  15          2HG2      ILE  15   6.789  -4.073   0.360
  111   HG23  ILE  15          3HG2      ILE  15   6.641  -4.532   2.056
  112   HD11  ILE  15          3HD1      ILE  15  10.475  -4.684   0.044
  113   HD12  ILE  15          1HD1      ILE  15   8.892  -3.947  -0.205
  114   HD13  ILE  15          2HD1      ILE  15   9.329  -5.414  -1.080
  115    H    ALA  16           H        ALA  16   8.991  -8.178   3.029
  116    HA   ALA  16           HA       ALA  16   9.801 -10.051   0.985
  117    HB1  ALA  16           1HB      ALA  16  11.639 -10.589   2.462
  118    HB2  ALA  16           2HB      ALA  16  10.874  -9.688   3.770
  119    HB3  ALA  16           3HB      ALA  16  11.455  -8.838   2.336
  120    H    GLN  17           H        GLN  17   7.562 -10.118   3.455
  121    HA   GLN  17           HA       GLN  17   7.941 -12.833   4.291
  122    HB2  GLN  17           1HB      GLN  17   5.637 -10.916   4.676
  123    HB3  GLN  17           2HB      GLN  17   5.696 -12.527   5.377
  124    HG2  GLN  17           1HG      GLN  17   7.659 -11.936   6.654
  125    HG3  GLN  17           2HG      GLN  17   7.699 -10.345   5.898
  126   HE21  GLN  17          1HE2      GLN  17   6.076 -12.391   8.184
  127   HE22  GLN  17          2HE2      GLN  17   5.167 -11.143   8.960
  128    H    ASP  18           H        ASP  18   6.415 -14.551   3.912
  129    HA   ASP  18           HA       ASP  18   5.860 -14.756   1.094
  130    HB2  ASP  18           1HB      ASP  18   5.566 -16.689   3.380
  131    HB3  ASP  18           2HB      ASP  18   5.175 -17.102   1.719
  132    H    LYS  19           H        LYS  19   4.200 -12.881   2.396
  133    HA   LYS  19           HA       LYS  19   1.592 -14.046   1.757
  134    HB2  LYS  19           1HB      LYS  19   0.568 -13.457   3.709
  135    HB3  LYS  19           2HB      LYS  19   2.146 -13.926   4.302
  136    HG2  LYS  19           1HG      LYS  19   2.774 -11.761   4.774
  137    HG3  LYS  19           2HG      LYS  19   1.614 -11.069   3.634
  138    HD2  LYS  19           1HD      LYS  19   0.881 -12.482   6.197
  139    HD3  LYS  19           2HD      LYS  19   0.961 -10.728   5.998
  140    HE2  LYS  19           1HE      LYS  19  -0.804 -10.762   4.386
  141    HE3  LYS  19           2HE      LYS  19  -0.789 -12.524   4.319
  142    HZ1  LYS  19           3HZ      LYS  19  -2.620 -11.744   5.660
  143    HZ2  LYS  19           1HZ      LYS  19  -1.574 -10.853   6.656
  144    HZ3  LYS  19           2HZ      LYS  19  -1.509 -12.547   6.648
  145    H    LEU  20           H        LEU  20  -0.072 -12.297   1.540
  146    HA   LEU  20           HA       LEU  20   0.865 -10.325  -0.286
  147    HB2  LEU  20           1HB      LEU  20  -1.385 -11.570  -0.215
  148    HB3  LEU  20           2HB      LEU  20  -1.850 -10.420   1.015
  149    HG   LEU  20           HG       LEU  20  -2.789  -9.747  -1.067
  150   HD11  LEU  20          1HD1      LEU  20  -0.471  -7.946  -0.433
  151   HD12  LEU  20          2HD1      LEU  20  -2.054  -7.927   0.341
  152   HD13  LEU  20          3HD1      LEU  20  -1.904  -7.506  -1.364
  153   HD21  LEU  20          3HD2      LEU  20  -1.557  -9.314  -3.060
  154   HD22  LEU  20          1HD2      LEU  20  -1.197 -10.954  -2.516
  155   HD23  LEU  20          2HD2      LEU  20  -0.028  -9.660  -2.243
  156    H    VAL  21           H        VAL  21   2.062  -8.665   0.521
  157    HA   VAL  21           HA       VAL  21   0.892  -7.151   2.759
  158    HB   VAL  21           HB       VAL  21   3.719  -7.105   1.661
  159   HG11  VAL  21          1HG1      VAL  21   2.525  -5.393   3.849
  160   HG12  VAL  21          2HG1      VAL  21   2.972  -4.826   2.240
  161   HG13  VAL  21          3HG1      VAL  21   4.217  -5.409   3.350
  162   HG21  VAL  21          3HG2      VAL  21   2.582  -7.883   4.346
  163   HG22  VAL  21          1HG2      VAL  21   4.293  -7.857   3.924
  164   HG23  VAL  21          2HG2      VAL  21   3.204  -8.986   3.120
  165    H    VAL  22           H        VAL  22  -0.492  -5.702   1.994
  166    HA   VAL  22           HA       VAL  22   0.231  -4.200  -0.394
  167    HB   VAL  22           HB       VAL  22  -1.904  -4.789  -0.837
  168   HG11  VAL  22          1HG1      VAL  22  -2.205  -6.090   1.179
  169   HG12  VAL  22          2HG1      VAL  22  -3.661  -5.197   0.753
  170   HG13  VAL  22          3HG1      VAL  22  -2.631  -4.629   2.070
  171   HG21  VAL  22          3HG2      VAL  22  -1.955  -2.365  -0.838
  172   HG22  VAL  22          1HG2      VAL  22  -2.370  -2.353   0.878
  173   HG23  VAL  22          2HG2      VAL  22  -3.511  -3.001  -0.300
  174    H    VAL  23           H        VAL  23   1.504  -2.597   0.054
  175    HA   VAL  23           HA       VAL  23   0.983  -0.879   2.387
  176    HB   VAL  23           HB       VAL  23   3.453  -1.327   0.705
  177   HG11  VAL  23          1HG1      VAL  23   3.288   1.053   1.201
  178   HG12  VAL  23          2HG1      VAL  23   4.583   0.309   2.137
  179   HG13  VAL  23          3HG1      VAL  23   3.043   0.686   2.908
  180   HG21  VAL  23          3HG2      VAL  23   3.129  -1.610   3.677
  181   HG22  VAL  23          1HG2      VAL  23   4.402  -2.259   2.649
  182   HG23  VAL  23          2HG2      VAL  23   2.773  -2.928   2.566
  183    H    ALA  24           H        ALA  24   0.512   1.291   2.122
  184    HA   ALA  24           HA       ALA  24   0.710   2.431  -0.582
  185    HB1  ALA  24           1HB      ALA  24  -1.472   3.223   1.290
  186    HB2  ALA  24           2HB      ALA  24  -1.658   1.872   0.174
  187    HB3  ALA  24           3HB      ALA  24  -1.356   3.496  -0.447
  188    H    PHE  25           H        PHE  25   1.963   4.076  -0.736
  189    HA   PHE  25           HA       PHE  25   2.928   5.506   1.527
  190    HB2  PHE  25           1HB      PHE  25   3.153   5.934  -1.442
  191    HB3  PHE  25           2HB      PHE  25   3.899   7.025  -0.273
  192    HD1  PHE  25           2HD      PHE  25   5.261   5.701   1.626
  193    HD2  PHE  25           1HD      PHE  25   4.500   4.290  -2.315
  194    HE1  PHE  25           2HE      PHE  25   7.195   4.197   1.794
  195    HE2  PHE  25           1HE      PHE  25   6.444   2.781  -2.153
  196    HZ   PHE  25           HZ       PHE  25   7.787   2.735  -0.095
  197    H    TYR  26           H        TYR  26   2.084   7.144   2.539
  198    HA   TYR  26           HA       TYR  26  -0.243   8.564   1.394
  199    HB2  TYR  26           1HB      TYR  26   0.250   7.255   3.990
  200    HB3  TYR  26           2HB      TYR  26  -0.437   8.864   4.111
  201    HD1  TYR  26           1HD      TYR  26  -1.049   5.957   1.834
  202    HD2  TYR  26           2HD      TYR  26  -2.634   8.772   4.595
  203    HE1  TYR  26           1HE      TYR  26  -3.291   5.005   1.516
  204    HE2  TYR  26           2HE      TYR  26  -4.877   7.833   4.283
  205    HH   TYR  26           HH       TYR  26  -6.087   6.558   2.536
  206    H    ALA  27           H        ALA  27  -0.635  10.569   2.914
  207    HA   ALA  27           HA       ALA  27   1.685  11.751   4.087
  208    HB1  ALA  27           1HB      ALA  27   0.506  13.040   1.613
  209    HB2  ALA  27           2HB      ALA  27   2.103  12.300   1.730
  210    HB3  ALA  27           3HB      ALA  27   1.733  13.752   2.661
  211    H    THR  28           H        THR  28   1.120  13.729   5.211
  212    HA   THR  28           HA       THR  28  -1.595  13.649   6.178
  213    HB   THR  28           HB       THR  28  -0.586  15.604   7.624
  214    HG1  THR  28           1HG      THR  28   1.533  15.844   7.456
  215   HG21  THR  28          3HG2      THR  28  -1.199  13.412   8.502
  216   HG22  THR  28          1HG2      THR  28   0.350  13.928   9.168
  217   HG23  THR  28          2HG2      THR  28   0.303  12.727   7.880
  218    H    TRP  29           H        TRP  29  -0.210  15.132   3.601
  219    HA   TRP  29           HA       TRP  29  -1.821  17.576   3.878
  220    HB2  TRP  29           1HB      TRP  29  -0.100  18.735   2.559
  221    HB3  TRP  29           2HB      TRP  29   0.547  18.080   4.060
  222    HD1  TRP  29           HD       TRP  29   0.507  17.367   0.300
  223    HE1  TRP  29           1HE      TRP  29   2.606  16.000  -0.312
  224    HE3  TRP  29           3HE      TRP  29   2.336  16.599   4.997
  225    HZ2  TRP  29           2HZ      TRP  29   4.759  14.762   1.045
  226    HZ3  TRP  29           3HZ      TRP  29   4.414  15.311   5.260
  227    HH2  TRP  29           HH       TRP  29   5.599  14.413   3.326
  228    H    CYS  30           H        CYS  30  -2.447  14.927   2.521
  229    HA   CYS  30           HA       CYS  30  -2.819  16.029  -0.182
  230    HB2  CYS  30           1HB      CYS  30  -2.842  13.582  -0.936
  231    HB3  CYS  30           2HB      CYS  30  -1.291  14.301  -0.525
  232    H    GLY  31           H        GLY  31  -4.680  15.579  -1.297
  233    HA2  GLY  31           1HA      GLY  31  -7.036  15.096   0.311
  234    HA3  GLY  31           2HA      GLY  31  -6.995  15.561  -1.380
  235    HA   PRO  32           HA       PRO  32  -7.500  11.467  -2.998
  236    HB2  PRO  32           1HB      PRO  32  -4.611  10.810  -3.256
  237    HB3  PRO  32           2HB      PRO  32  -5.896  10.727  -4.463
  238    HG2  PRO  32           1HG      PRO  32  -4.109  12.682  -4.540
  239    HG3  PRO  32           2HG      PRO  32  -5.815  13.002  -4.896
  240    HD2  PRO  32           1HD      PRO  32  -4.254  13.591  -2.416
  241    HD3  PRO  32           2HD      PRO  32  -5.505  14.562  -3.209
  242    H    CYS  33           H        CYS  33  -4.593  11.288  -0.947
  243    HA   CYS  33           HA       CYS  33  -4.832   8.695   0.001
  244    HB2  CYS  33           1HB      CYS  33  -3.617   9.571   2.030
  245    HB3  CYS  33           2HB      CYS  33  -2.865   9.971   0.486
  246    H    LYS  34           H        LYS  34  -6.544  11.580   1.061
  247    HA   LYS  34           HA       LYS  34  -7.649  10.417   3.381
  248    HB2  LYS  34           1HB      LYS  34  -8.647  12.732   1.718
  249    HB3  LYS  34           2HB      LYS  34  -9.268  12.292   3.303
  250    HG2  LYS  34           1HG      LYS  34  -6.996  12.649   4.233
  251    HG3  LYS  34           2HG      LYS  34  -6.487  13.233   2.648
  252    HD2  LYS  34           1HD      LYS  34  -8.226  14.983   2.776
  253    HD3  LYS  34           2HD      LYS  34  -8.638  14.422   4.398
  254    HE2  LYS  34           1HE      LYS  34  -5.995  15.562   3.497
  255    HE3  LYS  34           2HE      LYS  34  -7.180  16.347   4.538
  256    HZ1  LYS  34           3HZ      LYS  34  -5.458  15.468   5.899
  257    HZ2  LYS  34           1HZ      LYS  34  -5.558  13.945   5.170
  258    HZ3  LYS  34           2HZ      LYS  34  -6.825  14.502   6.139
  259    H    MET  35           H        MET  35  -8.997  10.830   0.085
  260    HA   MET  35           HA       MET  35 -11.511   9.725   0.772
  261    HB2  MET  35           1HB      MET  35 -11.910   9.545  -1.650
  262    HB3  MET  35           2HB      MET  35 -11.331  11.130  -1.165
  263    HG2  MET  35           1HG      MET  35  -9.056  10.418  -1.888
  264    HG3  MET  35           2HG      MET  35  -9.789   8.949  -2.521
  265    HE1  MET  35           3HE      MET  35  -9.461  12.817  -2.831
  266    HE2  MET  35           1HE      MET  35 -11.194  12.658  -2.549
  267    HE3  MET  35           2HE      MET  35 -10.603  13.200  -4.119
  268    H    ILE  36           H        ILE  36  -8.663   8.187  -0.733
  269    HA   ILE  36           HA       ILE  36 -10.029   5.682  -0.883
  270    HB   ILE  36           HB       ILE  36  -8.388   5.131  -2.257
  271   HG12  ILE  36          1HG1      ILE  36  -7.443   4.335   0.116
  272   HG13  ILE  36          2HG1      ILE  36  -6.591   4.034  -1.379
  273   HG21  ILE  36          1HG2      ILE  36  -7.992   7.501  -2.603
  274   HG22  ILE  36          2HG2      ILE  36  -6.503   6.569  -2.758
  275   HG23  ILE  36          3HG2      ILE  36  -6.811   7.502  -1.293
  276   HD11  ILE  36          3HD1      ILE  36  -5.121   4.820   0.389
  277   HD12  ILE  36          1HD1      ILE  36  -6.071   6.303   0.529
  278   HD13  ILE  36          2HD1      ILE  36  -5.170   5.964  -0.955
  279    H    ALA  37           H        ALA  37  -8.543   7.416   1.613
  280    HA   ALA  37           HA       ALA  37  -7.473   5.373   3.168
  281    HB1  ALA  37           1HB      ALA  37  -8.719   7.908   4.193
  282    HB2  ALA  37           2HB      ALA  37  -7.090   7.772   3.508
  283    HB3  ALA  37           3HB      ALA  37  -7.507   6.906   4.999
  284    HA   PRO  38           HA       PRO  38 -11.791   4.637   5.222
  285    HB2  PRO  38           1HB      PRO  38 -13.942   5.574   3.789
  286    HB3  PRO  38           2HB      PRO  38 -13.278   6.369   5.221
  287    HG2  PRO  38           1HG      PRO  38 -12.810   6.966   2.333
  288    HG3  PRO  38           2HG      PRO  38 -13.054   8.087   3.687
  289    HD2  PRO  38           1HD      PRO  38 -10.612   7.599   2.706
  290    HD3  PRO  38           2HD      PRO  38 -10.879   7.847   4.442
  291    H    MET  39           H        MET  39 -11.455   4.961   1.681
  292    HA   MET  39           HA       MET  39 -13.047   2.680   1.106
  293    HB2  MET  39           1HB      MET  39 -10.865   4.007  -0.487
  294    HB3  MET  39           2HB      MET  39 -11.797   2.650  -1.096
  295    HG2  MET  39           1HG      MET  39 -12.923   5.311  -0.249
  296    HG3  MET  39           2HG      MET  39 -12.656   4.784  -1.911
  297    HE1  MET  39           3HE      MET  39 -16.573   4.750  -1.531
  298    HE2  MET  39           1HE      MET  39 -15.213   5.372  -2.466
  299    HE3  MET  39           2HE      MET  39 -15.441   5.884  -0.794
  300    H    ILE  40           H        ILE  40  -9.430   2.864   1.181
  301    HA   ILE  40           HA       ILE  40  -9.092   0.094   1.013
  302    HB   ILE  40           HB       ILE  40  -7.305   2.297   1.810
  303   HG12  ILE  40          1HG1      ILE  40  -5.712   0.408   0.802
  304   HG13  ILE  40          2HG1      ILE  40  -7.249  -0.211   0.210
  305   HG21  ILE  40          1HG2      ILE  40  -6.766   1.390   3.823
  306   HG22  ILE  40          2HG2      ILE  40  -5.736   0.377   2.806
  307   HG23  ILE  40          3HG2      ILE  40  -7.293  -0.227   3.365
  308   HD11  ILE  40          3HD1      ILE  40  -7.688   1.984  -0.810
  309   HD12  ILE  40          1HD1      ILE  40  -6.247   1.189  -1.446
  310   HD13  ILE  40          2HD1      ILE  40  -6.083   2.504  -0.278
  311    H    GLU  41           H        GLU  41  -9.809   2.137   3.799
  312    HA   GLU  41           HA       GLU  41  -9.385   0.340   5.861
  313    HB2  GLU  41           1HB      GLU  41 -10.055   2.744   6.088
  314    HB3  GLU  41           2HB      GLU  41 -11.692   2.283   5.656
  315    HG2  GLU  41           1HG      GLU  41 -11.840   0.879   7.632
  316    HG3  GLU  41           2HG      GLU  41 -10.176   1.276   8.052
  317    H    LYS  42           H        LYS  42 -12.310   0.784   3.854
  318    HA   LYS  42           HA       LYS  42 -13.786  -1.299   5.023
  319    HB2  LYS  42           1HB      LYS  42 -14.972   0.252   3.679
  320    HB3  LYS  42           2HB      LYS  42 -13.878   0.037   2.322
  321    HG2  LYS  42           1HG      LYS  42 -16.109  -0.977   1.985
  322    HG3  LYS  42           2HG      LYS  42 -14.786  -2.132   1.854
  323    HD2  LYS  42           1HD      LYS  42 -16.618  -3.102   3.105
  324    HD3  LYS  42           2HD      LYS  42 -15.217  -2.868   4.153
  325    HE2  LYS  42           1HE      LYS  42 -16.213  -0.877   5.098
  326    HE3  LYS  42           2HE      LYS  42 -17.571  -0.987   3.979
  327    HZ1  LYS  42           3HZ      LYS  42 -18.074  -1.834   6.218
  328    HZ2  LYS  42           1HZ      LYS  42 -16.905  -3.038   6.018
  329    HZ3  LYS  42           2HZ      LYS  42 -18.269  -3.012   5.022
  330    H    PHE  43           H        PHE  43 -11.653  -1.274   2.215
  331    HA   PHE  43           HA       PHE  43 -12.020  -3.973   1.575
  332    HB2  PHE  43           1HB      PHE  43  -9.689  -2.197   0.873
  333    HB3  PHE  43           2HB      PHE  43 -10.115  -3.716   0.093
  334    HD1  PHE  43           2HD      PHE  43 -13.206  -2.606   0.647
  335    HD2  PHE  43           1HD      PHE  43  -9.783  -1.446  -1.608
  336    HE1  PHE  43           2HE      PHE  43 -14.651  -1.350  -0.898
  337    HE2  PHE  43           1HE      PHE  43 -11.226  -0.171  -3.136
  338    HZ   PHE  43           HZ       PHE  43 -13.661  -0.128  -2.788
  339    H    SER  44           H        SER  44 -10.273  -2.481   4.062
  340    HA   SER  44           HA       SER  44  -8.434  -4.684   4.465
  341    HB2  SER  44           1HB      SER  44  -8.913  -2.381   6.380
  342    HB3  SER  44           2HB      SER  44  -7.496  -3.421   6.252
  343    HG   SER  44           HG       SER  44  -8.297  -1.822   4.077
  344    H    GLU  45           H        GLU  45 -11.607  -3.777   5.252
  345    HA   GLU  45           HA       GLU  45 -11.763  -5.690   7.450
  346    HB2  GLU  45           1HB      GLU  45 -13.875  -4.007   6.090
  347    HB3  GLU  45           2HB      GLU  45 -14.202  -5.115   7.415
  348    HG2  GLU  45           1HG      GLU  45 -12.418  -2.694   7.516
  349    HG3  GLU  45           2HG      GLU  45 -14.024  -2.847   8.228
  350    H    GLN  46           H        GLN  46 -11.977  -5.609   4.072
  351    HA   GLN  46           HA       GLN  46 -13.062  -8.344   4.079
  352    HB2  GLN  46           1HB      GLN  46 -13.671  -7.558   1.579
  353    HB3  GLN  46           2HB      GLN  46 -14.782  -7.436   2.936
  354    HG2  GLN  46           1HG      GLN  46 -14.451  -5.153   3.159
  355    HG3  GLN  46           2HG      GLN  46 -12.937  -5.177   2.264
  356   HE21  GLN  46          1HE2      GLN  46 -13.012  -5.258   0.007
  357   HE22  GLN  46          2HE2      GLN  46 -14.452  -4.872  -0.873
  358    H    TYR  47           H        TYR  47 -10.268  -7.497   4.193
  359    HA   TYR  47           HA       TYR  47  -9.296  -8.670   1.674
  360    HB2  TYR  47           1HB      TYR  47  -7.117  -7.849   2.251
  361    HB3  TYR  47           2HB      TYR  47  -8.275  -6.550   2.477
  362    HD1  TYR  47           1HD      TYR  47  -9.105  -8.219   5.209
  363    HD2  TYR  47           2HD      TYR  47  -5.630  -6.334   3.662
  364    HE1  TYR  47           1HE      TYR  47  -8.255  -7.936   7.495
  365    HE2  TYR  47           2HE      TYR  47  -4.780  -6.045   5.935
  366    HH   TYR  47           HH       TYR  47  -6.228  -7.596   8.660
  367    HA   PRO  48           HA       PRO  48  -9.915 -12.192   4.645
  368    HB2  PRO  48           1HB      PRO  48  -9.428 -13.653   2.087
  369    HB3  PRO  48           2HB      PRO  48 -10.620 -13.966   3.356
  370    HG2  PRO  48           1HG      PRO  48 -11.353 -12.772   1.106
  371    HG3  PRO  48           2HG      PRO  48 -12.003 -12.229   2.665
  372    HD2  PRO  48           1HD      PRO  48  -9.934 -10.967   0.930
  373    HD3  PRO  48           2HD      PRO  48 -11.155 -10.208   1.968
  374    H    GLN  49           H        GLN  49  -7.340 -12.307   2.110
  375    HA   GLN  49           HA       GLN  49  -5.714 -13.682   4.150
  376    HB2  GLN  49           1HB      GLN  49  -4.473 -14.813   2.460
  377    HB3  GLN  49           2HB      GLN  49  -6.185 -15.072   2.175
  378    HG2  GLN  49           1HG      GLN  49  -6.189 -13.564   0.344
  379    HG3  GLN  49           2HG      GLN  49  -4.561 -13.005   0.723
  380   HE21  GLN  49          1HE2      GLN  49  -2.804 -14.300   0.229
  381   HE22  GLN  49          2HE2      GLN  49  -2.929 -15.658  -0.839
  382    H    ALA  50           H        ALA  50  -5.953 -10.659   3.276
  383    HA   ALA  50           HA       ALA  50  -3.148 -10.279   2.526
  384    HB1  ALA  50           1HB      ALA  50  -5.028  -9.349   1.084
  385    HB2  ALA  50           2HB      ALA  50  -3.728  -8.246   1.527
  386    HB3  ALA  50           3HB      ALA  50  -5.270  -8.171   2.373
  387    H    ASP  51           H        ASP  51  -2.100  -8.351   3.367
  388    HA   ASP  51           HA       ASP  51  -2.966  -7.683   6.100
  389    HB2  ASP  51           1HB      ASP  51  -0.556  -8.922   5.320
  390    HB3  ASP  51           2HB      ASP  51  -0.138  -7.264   5.745
  391    H    PHE  52           H        PHE  52  -3.348  -5.631   6.436
  392    HA   PHE  52           HA       PHE  52  -2.884  -3.777   4.269
  393    HB2  PHE  52           1HB      PHE  52  -4.462  -2.298   5.455
  394    HB3  PHE  52           2HB      PHE  52  -5.131  -3.882   5.107
  395    HD1  PHE  52           1HD      PHE  52  -3.266  -4.809   7.766
  396    HD2  PHE  52           2HD      PHE  52  -6.488  -2.182   6.912
  397    HE1  PHE  52           1HE      PHE  52  -4.056  -5.024  10.083
  398    HE2  PHE  52           2HE      PHE  52  -7.298  -2.401   9.198
  399    HZ   PHE  52           HZ       PHE  52  -6.075  -3.816  10.811
  400    H    TYR  53           H        TYR  53  -1.282  -2.390   4.209
  401    HA   TYR  53           HA       TYR  53  -0.709  -0.895   6.659
  402    HB2  TYR  53           1HB      TYR  53   1.536  -1.659   4.789
  403    HB3  TYR  53           2HB      TYR  53   1.650  -0.967   6.407
  404    HD1  TYR  53           2HD      TYR  53   1.361  -2.395   8.387
  405    HD2  TYR  53           1HD      TYR  53   1.300  -4.023   4.465
  406    HE1  TYR  53           2HE      TYR  53   1.736  -4.636   9.321
  407    HE2  TYR  53           1HE      TYR  53   1.675  -6.272   5.389
  408    HH   TYR  53           HH       TYR  53   1.154  -7.106   8.443
  409    H    LYS  54           H        LYS  54  -0.606   1.260   6.260
  410    HA   LYS  54           HA       LYS  54   0.063   2.135   3.535
  411    HB2  LYS  54           1HB      LYS  54  -2.214   3.230   5.197
  412    HB3  LYS  54           2HB      LYS  54  -1.627   3.968   3.711
  413    HG2  LYS  54           1HG      LYS  54  -2.284   2.034   2.433
  414    HG3  LYS  54           2HG      LYS  54  -2.717   1.165   3.893
  415    HD2  LYS  54           1HD      LYS  54  -4.175   3.415   2.529
  416    HD3  LYS  54           2HD      LYS  54  -4.761   1.858   3.080
  417    HE2  LYS  54           1HE      LYS  54  -4.584   2.524   5.392
  418    HE3  LYS  54           2HE      LYS  54  -3.894   4.076   4.915
  419    HZ1  LYS  54           3HZ      LYS  54  -6.626   3.129   4.256
  420    HZ2  LYS  54           1HZ      LYS  54  -5.957   4.615   3.796
  421    HZ3  LYS  54           2HZ      LYS  54  -6.234   4.276   5.433
  422    H    LEU  55           H        LEU  55   1.698   3.565   3.521
  423    HA   LEU  55           HA       LEU  55   2.777   4.128   6.199
  424    HB2  LEU  55           1HB      LEU  55   4.228   4.579   3.636
  425    HB3  LEU  55           2HB      LEU  55   4.879   4.360   5.247
  426    HG   LEU  55           HG       LEU  55   3.845   2.330   3.353
  427   HD11  LEU  55          1HD1      LEU  55   6.204   2.890   3.440
  428   HD12  LEU  55          2HD1      LEU  55   5.920   1.237   3.987
  429   HD13  LEU  55          3HD1      LEU  55   6.218   2.520   5.163
  430   HD21  LEU  55          3HD2      LEU  55   4.214   1.765   6.276
  431   HD22  LEU  55          1HD2      LEU  55   3.634   0.667   5.032
  432   HD23  LEU  55          2HD2      LEU  55   2.636   2.029   5.542
  433    H    ASP  56           H        ASP  56   3.845   6.193   6.629
  434    HA   ASP  56           HA       ASP  56   2.588   8.428   5.203
  435    HB2  ASP  56           1HB      ASP  56   3.584   9.794   7.072
  436    HB3  ASP  56           2HB      ASP  56   2.353   8.645   7.568
  437    H    VAL  57           H        VAL  57   3.654   9.060   3.489
  438    HA   VAL  57           HA       VAL  57   6.279   8.348   2.843
  439    HB   VAL  57           HB       VAL  57   4.152   9.335   1.497
  440   HG11  VAL  57          1HG1      VAL  57   6.147  11.589   1.431
  441   HG12  VAL  57          2HG1      VAL  57   4.614  11.636   2.301
  442   HG13  VAL  57          3HG1      VAL  57   4.627  11.483   0.540
  443   HG21  VAL  57          3HG2      VAL  57   7.023   9.270   0.623
  444   HG22  VAL  57          1HG2      VAL  57   5.645   9.408  -0.471
  445   HG23  VAL  57          2HG2      VAL  57   5.832   7.969   0.532
  446    H    ASP  58           H        ASP  58   5.142  10.769   4.896
  447    HA   ASP  58           HA       ASP  58   7.007  12.831   4.503
  448    HB2  ASP  58           1HB      ASP  58   4.939  13.134   5.746
  449    HB3  ASP  58           2HB      ASP  58   5.480  11.996   6.977
  450    H    GLU  59           H        GLU  59   7.017   9.957   6.554
  451    HA   GLU  59           HA       GLU  59   9.830  10.441   7.208
  452    HB2  GLU  59           1HB      GLU  59   7.751   8.568   8.302
  453    HB3  GLU  59           2HB      GLU  59   9.462   8.342   8.642
  454    HG2  GLU  59           1HG      GLU  59   7.943  10.868   9.228
  455    HG3  GLU  59           2HG      GLU  59   8.227   9.578  10.400
  456    H    LEU  60           H        LEU  60   7.719   8.321   5.418
  457    HA   LEU  60           HA       LEU  60   9.930   6.556   4.742
  458    HB2  LEU  60           1HB      LEU  60   6.980   6.439   4.130
  459    HB3  LEU  60           2HB      LEU  60   8.144   5.334   3.416
  460    HG   LEU  60           HG       LEU  60   7.131   4.212   5.248
  461   HD11  LEU  60          1HD1      LEU  60   9.012   3.667   6.632
  462   HD12  LEU  60          2HD1      LEU  60   9.809   5.181   6.217
  463   HD13  LEU  60          3HD1      LEU  60   9.583   3.942   4.984
  464   HD21  LEU  60          3HD2      LEU  60   7.859   6.584   6.953
  465   HD22  LEU  60          1HD2      LEU  60   7.137   5.083   7.530
  466   HD23  LEU  60          2HD2      LEU  60   6.235   6.131   6.435
  467    H    GLY  61           H        GLY  61  10.460   9.023   3.819
  468    HA2  GLY  61           1HA      GLY  61   9.550   9.360   1.110
  469    HA3  GLY  61           2HA      GLY  61  10.798  10.299   1.917
  470    H    ASP  62           H        ASP  62  12.498   8.218   2.679
  471    HA   ASP  62           HA       ASP  62  14.011   7.940   0.316
  472    HB2  ASP  62           1HB      ASP  62  15.098   8.026   2.488
  473    HB3  ASP  62           2HB      ASP  62  14.300   6.535   2.975
  474    H    VAL  63           H        VAL  63  12.046   5.618   2.155
  475    HA   VAL  63           HA       VAL  63  12.578   3.413   0.481
  476    HB   VAL  63           HB       VAL  63  11.580   3.029   2.662
  477   HG11  VAL  63          1HG1      VAL  63  10.252   5.011   2.890
  478   HG12  VAL  63          2HG1      VAL  63   9.264   3.568   3.127
  479   HG13  VAL  63          3HG1      VAL  63   9.174   4.461   1.606
  480   HG21  VAL  63          3HG2      VAL  63   9.743   1.531   2.024
  481   HG22  VAL  63          1HG2      VAL  63  11.145   1.362   0.964
  482   HG23  VAL  63          2HG2      VAL  63   9.732   2.270   0.422
  483    H    ALA  64           H        ALA  64  10.097   5.909   0.405
  484    HA   ALA  64           HA       ALA  64   8.623   4.997  -1.771
  485    HB1  ALA  64           1HB      ALA  64   9.216   7.848  -0.988
  486    HB2  ALA  64           2HB      ALA  64   7.913   6.846  -0.351
  487    HB3  ALA  64           3HB      ALA  64   7.911   7.318  -2.050
  488    H    GLN  65           H        GLN  65  11.653   6.799  -1.655
  489    HA   GLN  65           HA       GLN  65  11.721   7.374  -4.447
  490    HB2  GLN  65           1HB      GLN  65  13.923   7.349  -2.376
  491    HB3  GLN  65           2HB      GLN  65  14.095   7.967  -4.016
  492    HG2  GLN  65           1HG      GLN  65  12.219   9.023  -1.915
  493    HG3  GLN  65           2HG      GLN  65  13.733   9.763  -2.421
  494   HE21  GLN  65          1HE2      GLN  65  11.025  10.825  -2.483
  495   HE22  GLN  65          2HE2      GLN  65  10.704  11.238  -4.131
  496    H    LYS  66           H        LYS  66  12.924   4.794  -2.407
  497    HA   LYS  66           HA       LYS  66  14.534   3.453  -4.231
  498    HB2  LYS  66           1HB      LYS  66  12.820   2.389  -1.996
  499    HB3  LYS  66           2HB      LYS  66  14.074   1.475  -2.812
  500    HG2  LYS  66           1HG      LYS  66  15.608   3.433  -2.057
  501    HG3  LYS  66           2HG      LYS  66  14.306   3.734  -0.904
  502    HD2  LYS  66           1HD      LYS  66  15.794   1.131  -1.232
  503    HD3  LYS  66           2HD      LYS  66  16.062   2.310   0.052
  504    HE2  LYS  66           1HE      LYS  66  13.884   1.938   0.947
  505    HE3  LYS  66           2HE      LYS  66  13.416   0.966  -0.446
  506    HZ1  LYS  66           3HZ      LYS  66  15.209  -0.613   0.234
  507    HZ2  LYS  66           1HZ      LYS  66  13.914  -0.517   1.319
  508    HZ3  LYS  66           2HZ      LYS  66  15.375   0.266   1.667
  509    H    ASN  67           H        ASN  67  11.089   3.389  -3.643
  510    HA   ASN  67           HA       ASN  67  10.707   1.327  -5.672
  511    HB2  ASN  67           1HB      ASN  67   8.831   2.580  -3.662
  512    HB3  ASN  67           2HB      ASN  67   8.313   1.414  -4.876
  513   HD21  ASN  67          1HD2      ASN  67  10.272   1.901  -2.021
  514   HD22  ASN  67          2HD2      ASN  67  10.446   0.228  -1.614
  515    H    GLU  68           H        GLU  68  11.337   4.353  -5.952
  516    HA   GLU  68           HA       GLU  68  11.024   5.935  -7.546
  517    HB2  GLU  68           1HB      GLU  68   9.693   3.660  -9.022
  518    HB3  GLU  68           2HB      GLU  68  10.238   5.167  -9.746
  519    HG2  GLU  68           1HG      GLU  68  12.535   4.636  -9.180
  520    HG3  GLU  68           2HG      GLU  68  12.010   3.154  -8.383
  521    H    VAL  69           H        VAL  69   9.153   5.980  -5.516
  522    HA   VAL  69           HA       VAL  69   6.524   6.300  -6.706
  523    HB   VAL  69           HB       VAL  69   7.466   6.642  -3.858
  524   HG11  VAL  69          1HG1      VAL  69   5.096   6.653  -3.257
  525   HG12  VAL  69          2HG1      VAL  69   4.663   6.623  -4.965
  526   HG13  VAL  69          3HG1      VAL  69   5.505   8.020  -4.293
  527   HG21  VAL  69          3HG2      VAL  69   6.304   4.516  -3.478
  528   HG22  VAL  69          1HG2      VAL  69   7.617   4.349  -4.644
  529   HG23  VAL  69          2HG2      VAL  69   5.946   4.414  -5.201
  530    H    SER  70           H        SER  70   6.074   8.119  -7.711
  531    HA   SER  70           HA       SER  70   7.089  10.649  -6.608
  532    HB2  SER  70           1HB      SER  70   6.739  11.518  -8.962
  533    HB3  SER  70           2HB      SER  70   8.023  10.322  -8.783
  534    HG   SER  70           HG       SER  70   6.079  10.201 -10.469
  535    H    ALA  71           H        ALA  71   4.357   8.769  -7.076
  536    HA   ALA  71           HA       ALA  71   2.583  11.114  -6.986
  537    HB1  ALA  71           1HB      ALA  71   1.947   8.320  -7.934
  538    HB2  ALA  71           2HB      ALA  71   2.231   9.722  -8.966
  539    HB3  ALA  71           3HB      ALA  71   0.828   9.684  -7.901
  540    H    MET  72           H        MET  72   0.551  10.747  -5.735
  541    HA   MET  72           HA       MET  72   0.775   8.760  -3.623
  542    HB2  MET  72           1HB      MET  72   0.295  10.506  -1.881
  543    HB3  MET  72           2HB      MET  72   1.900  10.594  -2.589
  544    HG2  MET  72           1HG      MET  72   1.207  12.807  -2.464
  545    HG3  MET  72           2HG      MET  72   0.931  12.366  -4.145
  546    HE1  MET  72           3HE      MET  72  -2.074  14.683  -3.875
  547    HE2  MET  72           1HE      MET  72  -0.754  14.082  -4.876
  548    HE3  MET  72           2HE      MET  72  -0.402  14.936  -3.374
  549    HA   PRO  73           HA       PRO  73  -0.201   7.933  -2.099
  550    HB2  PRO  73           1HB      PRO  73  -1.963   5.920  -1.715
  551    HB3  PRO  73           2HB      PRO  73  -2.038   7.429  -0.796
  552    HG2  PRO  73           1HG      PRO  73  -3.637   6.586  -3.182
  553    HG3  PRO  73           2HG      PRO  73  -4.180   7.392  -1.700
  554    HD2  PRO  73           1HD      PRO  73  -3.734   8.732  -4.012
  555    HD3  PRO  73           2HD      PRO  73  -3.489   9.459  -2.414
  556    H    THR  74           H        THR  74   0.667   5.756  -2.381
  557    HA   THR  74           HA       THR  74   0.303   4.682  -5.081
  558    HB   THR  74           HB       THR  74   2.915   5.093  -3.620
  559    HG1  THR  74           1HG      THR  74   2.576   6.919  -4.735
  560   HG21  THR  74          3HG2      THR  74   2.966   2.916  -4.698
  561   HG22  THR  74          1HG2      THR  74   3.973   4.050  -5.595
  562   HG23  THR  74          2HG2      THR  74   2.375   3.620  -6.202
  563    H    LEU  75           H        LEU  75  -0.323   2.623  -5.027
  564    HA   LEU  75           HA       LEU  75  -0.048   1.183  -2.484
  565    HB2  LEU  75           1HB      LEU  75  -2.234   1.518  -4.434
  566    HB3  LEU  75           2HB      LEU  75  -2.048  -0.077  -3.733
  567    HG   LEU  75           HG       LEU  75  -2.095   2.279  -1.904
  568   HD11  LEU  75          1HD1      LEU  75  -4.579   1.044  -3.069
  569   HD12  LEU  75          2HD1      LEU  75  -3.975   2.659  -3.437
  570   HD13  LEU  75          3HD1      LEU  75  -4.505   2.267  -1.801
  571   HD21  LEU  75          3HD2      LEU  75  -3.215   0.656  -0.439
  572   HD22  LEU  75          1HD2      LEU  75  -1.646   0.076  -1.001
  573   HD23  LEU  75          2HD2      LEU  75  -3.128  -0.544  -1.727
  574    H    LEU  76           H        LEU  76   1.499  -0.242  -2.622
  575    HA   LEU  76           HA       LEU  76   1.657  -1.901  -5.050
  576    HB2  LEU  76           1HB      LEU  76   4.026  -1.249  -3.300
  577    HB3  LEU  76           2HB      LEU  76   4.032  -1.940  -4.908
  578    HG   LEU  76           HG       LEU  76   3.334   0.913  -4.220
  579   HD11  LEU  76          1HD1      LEU  76   5.749  -0.268  -5.581
  580   HD12  LEU  76          2HD1      LEU  76   5.704   0.447  -3.969
  581   HD13  LEU  76          3HD1      LEU  76   5.414   1.452  -5.388
  582   HD21  LEU  76          3HD2      LEU  76   2.060   0.324  -6.117
  583   HD22  LEU  76          1HD2      LEU  76   3.400  -0.579  -6.820
  584   HD23  LEU  76          2HD2      LEU  76   3.479   1.179  -6.725
  585    H    LEU  77           H        LEU  77   0.965  -3.870  -4.525
  586    HA   LEU  77           HA       LEU  77   1.452  -4.778  -1.794
  587    HB2  LEU  77           1HB      LEU  77   0.070  -6.726  -3.352
  588    HB3  LEU  77           2HB      LEU  77  -0.477  -5.845  -1.942
  589    HG   LEU  77           HG       LEU  77  -0.714  -4.859  -4.790
  590   HD11  LEU  77          1HD1      LEU  77  -2.686  -6.127  -2.888
  591   HD12  LEU  77          2HD1      LEU  77  -2.107  -6.783  -4.430
  592   HD13  LEU  77          3HD1      LEU  77  -3.123  -5.342  -4.409
  593   HD21  LEU  77          3HD2      LEU  77  -2.066  -3.781  -2.323
  594   HD22  LEU  77          1HD2      LEU  77  -2.080  -3.106  -3.947
  595   HD23  LEU  77          2HD2      LEU  77  -0.594  -3.088  -2.996
  596    H    PHE  78           H        PHE  78   2.866  -6.264  -1.286
  597    HA   PHE  78           HA       PHE  78   4.421  -7.401  -3.494
  598    HB2  PHE  78           1HB      PHE  78   5.209  -6.429  -0.775
  599    HB3  PHE  78           2HB      PHE  78   6.236  -7.537  -1.667
  600    HD1  PHE  78           2HD      PHE  78   4.776  -4.165  -1.619
  601    HD2  PHE  78           1HD      PHE  78   7.526  -6.787  -3.536
  602    HE1  PHE  78           2HE      PHE  78   5.762  -2.254  -2.811
  603    HE2  PHE  78           1HE      PHE  78   8.514  -4.879  -4.733
  604    HZ   PHE  78           HZ       PHE  78   7.629  -2.610  -4.372
  605    H    LYS  79           H        LYS  79   5.296  -9.491  -3.266
  606    HA   LYS  79           HA       LYS  79   4.146 -11.130  -1.128
  607    HB2  LYS  79           1HB      LYS  79   2.734 -11.417  -3.063
  608    HB3  LYS  79           2HB      LYS  79   4.118 -11.701  -4.096
  609    HG2  LYS  79           1HG      LYS  79   4.554 -13.786  -2.881
  610    HG3  LYS  79           2HG      LYS  79   3.164 -13.468  -1.842
  611    HD2  LYS  79           1HD      LYS  79   1.724 -13.476  -3.873
  612    HD3  LYS  79           2HD      LYS  79   3.134 -13.959  -4.817
  613    HE2  LYS  79           1HE      LYS  79   1.884 -15.494  -2.541
  614    HE3  LYS  79           2HE      LYS  79   1.792 -15.902  -4.253
  615    HZ1  LYS  79           3HZ      LYS  79   4.198 -16.206  -4.260
  616    HZ2  LYS  79           1HZ      LYS  79   3.452 -17.232  -3.142
  617    HZ3  LYS  79           2HZ      LYS  79   4.264 -15.850  -2.605
  618    H    ASN  80           H        ASN  80   5.768 -12.027  -0.093
  619    HA   ASN  80           HA       ASN  80   7.890 -12.650   0.455
  620    HB2  ASN  80           1HB      ASN  80   8.637 -14.526  -1.390
  621    HB3  ASN  80           2HB      ASN  80   7.603 -14.825  -0.002
  622   HD21  ASN  80          1HD2      ASN  80   7.660 -14.189  -3.437
  623   HD22  ASN  80          2HD2      ASN  80   6.066 -14.773  -3.770
  624    H    GLY  81           H        GLY  81   8.088 -10.272  -0.847
  625    HA2  GLY  81           1HA      GLY  81   9.742  -8.911  -1.669
  626    HA3  GLY  81           2HA      GLY  81  10.826 -10.287  -1.569
  627    H    LYS  82           H        LYS  82   8.085 -10.934  -3.467
  628    HA   LYS  82           HA       LYS  82   9.707 -10.564  -5.887
  629    HB2  LYS  82           1HB      LYS  82   7.482 -12.538  -5.347
  630    HB3  LYS  82           2HB      LYS  82   8.432 -12.432  -6.811
  631    HG2  LYS  82           1HG      LYS  82   9.459 -13.172  -4.087
  632    HG3  LYS  82           2HG      LYS  82   9.180 -14.277  -5.434
  633    HD2  LYS  82           1HD      LYS  82  10.888 -13.127  -6.742
  634    HD3  LYS  82           2HD      LYS  82  11.147 -11.987  -5.420
  635    HE2  LYS  82           1HE      LYS  82  11.608 -14.965  -5.299
  636    HE3  LYS  82           2HE      LYS  82  12.861 -13.736  -5.457
  637    HZ1  LYS  82           3HZ      LYS  82  12.138 -12.836  -3.302
  638    HZ2  LYS  82           1HZ      LYS  82  12.690 -14.429  -3.183
  639    HZ3  LYS  82           2HZ      LYS  82  11.031 -14.105  -3.148
  640    H    GLU  83           H        GLU  83   7.296  -9.214  -4.231
  641    HA   GLU  83           HA       GLU  83   5.656  -7.735  -4.671
  642    HB2  GLU  83           1HB      GLU  83   7.269  -6.930  -6.437
  643    HB3  GLU  83           2HB      GLU  83   6.425  -7.953  -7.585
  644    HG2  GLU  83           1HG      GLU  83   4.354  -6.661  -7.124
  645    HG3  GLU  83           2HG      GLU  83   5.307  -5.582  -6.106
  646    H    VAL  84           H        VAL  84   3.504  -7.543  -5.918
  647    HA   VAL  84           HA       VAL  84   2.708 -10.006  -7.226
  648    HB   VAL  84           HB       VAL  84   2.108  -9.944  -4.682
  649   HG11  VAL  84          1HG1      VAL  84   1.002  -7.849  -4.558
  650   HG12  VAL  84          2HG1      VAL  84  -0.211  -9.112  -4.326
  651   HG13  VAL  84          3HG1      VAL  84  -0.085  -8.282  -5.875
  652   HG21  VAL  84          3HG2      VAL  84   1.499 -11.718  -6.202
  653   HG22  VAL  84          1HG2      VAL  84   0.144 -10.764  -6.799
  654   HG23  VAL  84          2HG2      VAL  84   0.151 -11.335  -5.131
  655    H    ALA  85           H        ALA  85   2.127  -6.649  -6.449
  656    HA   ALA  85           HA       ALA  85   0.999  -6.201  -9.074
  657    HB1  ALA  85           1HB      ALA  85  -1.005  -6.793  -7.807
  658    HB2  ALA  85           2HB      ALA  85  -1.020  -5.089  -8.275
  659    HB3  ALA  85           3HB      ALA  85  -0.619  -5.547  -6.618
  660    H    LYS  86           H        LYS  86   0.725  -3.919  -9.539
  661    HA   LYS  86           HA       LYS  86   1.999  -2.124  -7.643
  662    HB2  LYS  86           1HB      LYS  86   3.795  -2.870  -9.171
  663    HB3  LYS  86           2HB      LYS  86   2.842  -2.331 -10.543
  664    HG2  LYS  86           1HG      LYS  86   2.901  -0.022  -9.443
  665    HG3  LYS  86           2HG      LYS  86   4.192  -0.688  -8.451
  666    HD2  LYS  86           1HD      LYS  86   5.404  -1.292 -10.537
  667    HD3  LYS  86           2HD      LYS  86   4.159  -0.432 -11.446
  668    HE2  LYS  86           1HE      LYS  86   6.022   1.044 -11.143
  669    HE3  LYS  86           2HE      LYS  86   4.695   1.617 -10.127
  670    HZ1  LYS  86           3HZ      LYS  86   5.752   0.564  -8.227
  671    HZ2  LYS  86           1HZ      LYS  86   6.804   1.667  -8.955
  672    HZ3  LYS  86           2HZ      LYS  86   7.016   0.008  -9.196
  673    H    VAL  87           H        VAL  87   0.401  -0.685  -7.289
  674    HA   VAL  87           HA       VAL  87  -0.680   0.663  -9.682
  675    HB   VAL  87           HB       VAL  87  -2.139   0.597  -7.029
  676   HG11  VAL  87          1HG1      VAL  87  -4.035   1.290  -8.435
  677   HG12  VAL  87          2HG1      VAL  87  -2.996   1.242  -9.859
  678   HG13  VAL  87          3HG1      VAL  87  -2.676   2.410  -8.572
  679   HG21  VAL  87          3HG2      VAL  87  -2.698  -1.213  -9.388
  680   HG22  VAL  87          1HG2      VAL  87  -3.605  -1.132  -7.875
  681   HG23  VAL  87          2HG2      VAL  87  -1.941  -1.726  -7.881
  682    H    VAL  88           H        VAL  88  -0.572   2.866  -9.677
  683    HA   VAL  88           HA       VAL  88   0.659   4.138  -7.377
  684    HB   VAL  88           HB       VAL  88   2.555   3.147  -8.381
  685   HG11  VAL  88          1HG1      VAL  88   1.715   4.313 -11.027
  686   HG12  VAL  88          2HG1      VAL  88   1.517   2.625 -10.538
  687   HG13  VAL  88          3HG1      VAL  88   3.138   3.314 -10.716
  688   HG21  VAL  88          3HG2      VAL  88   2.489   6.014  -9.309
  689   HG22  VAL  88          1HG2      VAL  88   3.928   5.035  -9.016
  690   HG23  VAL  88          2HG2      VAL  88   2.864   5.470  -7.671
  691    H    GLY  89           H        GLY  89  -1.364   5.290  -7.490
  692    HA2  GLY  89           1HA      GLY  89  -1.100   7.879  -8.194
  693    HA3  GLY  89           2HA      GLY  89  -1.713   7.160  -9.674
  694    H    ALA  90           H        ALA  90  -2.436   7.057  -6.179
  695    HA   ALA  90           HA       ALA  90  -4.379   7.253  -5.013
  696    HB1  ALA  90           1HB      ALA  90  -5.877   9.021  -5.680
  697    HB2  ALA  90           2HB      ALA  90  -5.236   8.993  -7.321
  698    HB3  ALA  90           3HB      ALA  90  -4.216   9.523  -5.982
  699    H    ASN  91           H        ASN  91  -5.005   5.065  -5.192
  700    HA   ASN  91           HA       ASN  91  -7.063   4.543  -7.227
  701    HB2  ASN  91           1HB      ASN  91  -6.241   2.168  -7.227
  702    HB3  ASN  91           2HB      ASN  91  -5.138   3.340  -7.935
  703   HD21  ASN  91          1HD2      ASN  91  -4.927   0.632  -6.510
  704   HD22  ASN  91          2HD2      ASN  91  -3.642   0.875  -5.384
  705    HA   PRO  92           HA       PRO  92  -9.146   3.185  -3.348
  706    HB2  PRO  92           1HB      PRO  92 -11.463   4.536  -4.517
  707    HB3  PRO  92           2HB      PRO  92 -10.738   4.751  -2.921
  708    HG2  PRO  92           1HG      PRO  92 -10.594   6.643  -4.844
  709    HG3  PRO  92           2HG      PRO  92  -9.318   6.399  -3.638
  710    HD2  PRO  92           1HD      PRO  92  -9.423   5.489  -6.497
  711    HD3  PRO  92           2HD      PRO  92  -8.061   6.180  -5.588
  712    H    ALA  93           H        ALA  93 -10.189   3.445  -6.729
  713    HA   ALA  93           HA       ALA  93 -11.859   1.080  -6.480
  714    HB1  ALA  93           1HB      ALA  93 -12.618   2.992  -7.831
  715    HB2  ALA  93           2HB      ALA  93 -12.508   1.505  -8.771
  716    HB3  ALA  93           3HB      ALA  93 -11.258   2.739  -8.924
  717    H    ALA  94           H        ALA  94  -8.864   2.069  -8.063
  718    HA   ALA  94           HA       ALA  94  -8.497  -0.433  -9.401
  719    HB1  ALA  94           1HB      ALA  94  -7.585   1.644 -10.323
  720    HB2  ALA  94           2HB      ALA  94  -6.345   0.412 -10.091
  721    HB3  ALA  94           3HB      ALA  94  -6.477   1.754  -8.960
  722    H    ILE  95           H        ILE  95  -7.764   0.708  -6.204
  723    HA   ILE  95           HA       ILE  95  -5.733  -1.133  -5.599
  724    HB   ILE  95           HB       ILE  95  -6.609   0.614  -3.967
  725   HG12  ILE  95          1HG1      ILE  95  -5.882  -0.620  -2.078
  726   HG13  ILE  95          2HG1      ILE  95  -6.553  -2.127  -2.692
  727   HG21  ILE  95          1HG2      ILE  95  -8.432   0.014  -2.502
  728   HG22  ILE  95          2HG2      ILE  95  -8.677  -1.493  -3.396
  729   HG23  ILE  95          3HG2      ILE  95  -8.989   0.064  -4.177
  730   HD11  ILE  95          3HD1      ILE  95  -4.170  -0.701  -3.865
  731   HD12  ILE  95          1HD1      ILE  95  -4.798  -2.280  -4.332
  732   HD13  ILE  95          2HD1      ILE  95  -4.092  -2.050  -2.734
  733    H    LYS  96           H        LYS  96  -9.200  -1.400  -5.838
  734    HA   LYS  96           HA       LYS  96  -9.480  -3.988  -4.840
  735    HB2  LYS  96           1HB      LYS  96 -11.097  -2.388  -6.790
  736    HB3  LYS  96           2HB      LYS  96 -11.503  -4.068  -6.479
  737    HG2  LYS  96           1HG      LYS  96 -11.357  -1.880  -4.424
  738    HG3  LYS  96           2HG      LYS  96 -12.829  -2.570  -5.109
  739    HD2  LYS  96           1HD      LYS  96 -10.757  -4.071  -3.496
  740    HD3  LYS  96           2HD      LYS  96 -12.325  -3.513  -2.898
  741    HE2  LYS  96           1HE      LYS  96 -13.404  -4.910  -4.671
  742    HE3  LYS  96           2HE      LYS  96 -11.812  -5.569  -5.042
  743    HZ1  LYS  96           3HZ      LYS  96 -13.291  -5.814  -2.484
  744    HZ2  LYS  96           1HZ      LYS  96 -11.689  -6.310  -2.697
  745    HZ3  LYS  96           2HZ      LYS  96 -12.928  -7.052  -3.571
  746    H    GLN  97           H        GLN  97  -8.555  -2.837  -8.022
  747    HA   GLN  97           HA       GLN  97  -8.489  -5.217  -9.450
  748    HB2  GLN  97           1HB      GLN  97  -8.011  -2.959 -10.381
  749    HB3  GLN  97           2HB      GLN  97  -6.488  -2.931  -9.519
  750    HG2  GLN  97           1HG      GLN  97  -7.188  -4.910 -11.684
  751    HG3  GLN  97           2HG      GLN  97  -6.294  -3.417 -11.944
  752   HE21  GLN  97          1HE2      GLN  97  -4.215  -3.206 -10.902
  753   HE22  GLN  97          2HE2      GLN  97  -3.282  -4.620 -10.530
  754    H    ALA  98           H        ALA  98  -5.820  -3.735  -7.596
  755    HA   ALA  98           HA       ALA  98  -4.205  -6.077  -7.791
  756    HB1  ALA  98           1HB      ALA  98  -2.639  -4.880  -6.322
  757    HB2  ALA  98           2HB      ALA  98  -3.887  -3.676  -5.985
  758    HB3  ALA  98           3HB      ALA  98  -3.230  -3.831  -7.612
  759    H    ILE  99           H        ILE  99  -6.311  -4.804  -5.397
  760    HA   ILE  99           HA       ILE  99  -5.374  -6.335  -3.222
  761    HB   ILE  99           HB       ILE  99  -6.971  -4.128  -3.484
  762   HG12  ILE  99          1HG1      ILE  99  -5.499  -4.827  -1.596
  763   HG13  ILE  99          2HG1      ILE  99  -7.025  -4.104  -1.085
  764   HG21  ILE  99          1HG2      ILE  99  -9.112  -4.437  -2.662
  765   HG22  ILE  99          2HG2      ILE  99  -8.808  -6.133  -2.267
  766   HG23  ILE  99          3HG2      ILE  99  -8.927  -5.629  -3.953
  767   HD11  ILE  99          3HD1      ILE  99  -7.913  -6.179  -0.469
  768   HD12  ILE  99          1HD1      ILE  99  -6.253  -6.205   0.135
  769   HD13  ILE  99          2HD1      ILE  99  -6.679  -7.067  -1.361
  770    H    ALA 100           H        ALA 100  -8.050  -6.762  -5.457
  771    HA   ALA 100           HA       ALA 100  -8.961  -9.087  -3.992
  772    HB1  ALA 100           1HB      ALA 100 -10.094  -7.860  -6.503
  773    HB2  ALA 100           2HB      ALA 100 -10.626  -7.515  -4.857
  774    HB3  ALA 100           3HB      ALA 100 -10.842  -9.129  -5.535
  775    H    ALA 101           H        ALA 101  -7.590  -8.307  -7.156
  776    HA   ALA 101           HA       ALA 101  -7.865 -10.923  -8.211
  777    HB1  ALA 101           1HB      ALA 101  -6.028  -8.712  -9.110
  778    HB2  ALA 101           2HB      ALA 101  -7.691  -8.952  -9.644
  779    HB3  ALA 101           3HB      ALA 101  -6.457 -10.150 -10.035
  780    H    ASN 102           H        ASN 102  -5.287  -9.287  -6.430
  781    HA   ASN 102           HA       ASN 102  -3.576 -11.631  -6.844
  782    HB2  ASN 102           1HB      ASN 102  -2.997  -9.058  -5.371
  783    HB3  ASN 102           2HB      ASN 102  -1.845 -10.366  -5.617
  784   HD21  ASN 102          1HD2      ASN 102  -3.368  -7.650  -6.941
  785   HD22  ASN 102          2HD2      ASN 102  -2.579  -7.655  -8.487
  786    H    ALA 103           H        ALA 103  -4.465  -9.726  -3.962
  787    HA   ALA 103           HA       ALA 103  -4.059 -11.834  -2.138
  788    HB1  ALA 103           1HB      ALA 103  -6.056  -9.697  -1.560
  789    HB2  ALA 103           2HB      ALA 103  -4.366  -9.262  -1.760
  790    HB3  ALA 103           3HB      ALA 103  -4.835 -10.414  -0.508
  Start of MODEL   18
    1    H1   MET   1           1H       MET   1  -8.288  -2.638   8.462
    2    H2   MET   1           2H       MET   1  -9.195  -2.745   9.887
    3    H3   MET   1           3H       MET   1  -7.831  -3.718   9.683
    4    HA   MET   1           HA       MET   1  -7.830  -0.769   9.864
    5    HB2  MET   1           1HB      MET   1  -8.359  -1.880  12.007
    6    HB3  MET   1           2HB      MET   1  -6.900  -2.848  11.858
    7    HG2  MET   1           1HG      MET   1  -5.529  -0.856  11.998
    8    HG3  MET   1           2HG      MET   1  -6.973   0.150  12.071
    9    HE1  MET   1           3HE      MET   1  -8.492  -0.818  15.540
   10    HE2  MET   1           1HE      MET   1  -8.885  -1.552  13.985
   11    HE3  MET   1           2HE      MET   1  -8.653   0.192  14.102
   12    H    VAL   2           H        VAL   2  -6.305  -0.092   8.501
   13    HA   VAL   2           HA       VAL   2  -4.034  -1.785   7.905
   14    HB   VAL   2           HB       VAL   2  -4.130  -0.761   5.940
   15   HG11  VAL   2          1HG1      VAL   2  -5.875   1.392   7.110
   16   HG12  VAL   2          2HG1      VAL   2  -6.439  -0.146   6.453
   17   HG13  VAL   2          3HG1      VAL   2  -5.653   1.025   5.396
   18   HG21  VAL   2          3HG2      VAL   2  -3.305   1.703   7.458
   19   HG22  VAL   2          1HG2      VAL   2  -3.284   1.559   5.703
   20   HG23  VAL   2          2HG2      VAL   2  -2.253   0.522   6.679
   21    H    THR   3           H        THR   3  -1.943  -1.407   8.365
   22    HA   THR   3           HA       THR   3  -1.424   0.340  10.653
   23    HB   THR   3           HB       THR   3  -0.417  -2.248   9.697
   24    HG1  THR   3           1HG      THR   3  -0.539  -0.938  12.220
   25   HG21  THR   3          3HG2      THR   3   1.573  -0.822   9.267
   26   HG22  THR   3          1HG2      THR   3   1.839  -2.039  10.527
   27   HG23  THR   3          2HG2      THR   3   1.558  -0.357  10.977
   28    H    GLN   4           H        GLN   4   0.207   1.833  10.665
   29    HA   GLN   4           HA       GLN   4   1.452   2.443   8.082
   30    HB2  GLN   4           1HB      GLN   4   2.127   4.593   9.375
   31    HB3  GLN   4           2HB      GLN   4   0.466   4.417   8.836
   32    HG2  GLN   4           1HG      GLN   4   0.182   5.185  10.977
   33    HG3  GLN   4           2HG      GLN   4   0.062   3.440  11.205
   34   HE21  GLN   4          1HE2      GLN   4   3.088   5.163  10.671
   35   HE22  GLN   4          2HE2      GLN   4   3.728   4.893  12.250
   36    H    PHE   5           H        PHE   5   3.545   1.919   7.785
   37    HA   PHE   5           HA       PHE   5   5.057   0.864  10.002
   38    HB2  PHE   5           1HB      PHE   5   5.782   1.280   7.109
   39    HB3  PHE   5           2HB      PHE   5   6.914   0.667   8.298
   40    HD1  PHE   5           1HD      PHE   5   4.984  -1.113   9.816
   41    HD2  PHE   5           2HD      PHE   5   5.671  -0.535   5.660
   42    HE1  PHE   5           1HE      PHE   5   4.238  -3.412   9.371
   43    HE2  PHE   5           2HE      PHE   5   4.927  -2.828   5.201
   44    HZ   PHE   5           HZ       PHE   5   4.208  -4.272   7.066
   45    H    LYS   6           H        LYS   6   7.167   1.660  10.570
   46    HA   LYS   6           HA       LYS   6   7.264   4.588  10.404
   47    HB2  LYS   6           1HB      LYS   6   8.495   4.424  12.595
   48    HB3  LYS   6           2HB      LYS   6   6.804   3.928  12.637
   49    HG2  LYS   6           1HG      LYS   6   7.540   1.574  12.454
   50    HG3  LYS   6           2HG      LYS   6   9.214   2.120  12.543
   51    HD2  LYS   6           1HD      LYS   6   8.871   2.989  14.758
   52    HD3  LYS   6           2HD      LYS   6   7.139   2.661  14.664
   53    HE2  LYS   6           1HE      LYS   6   7.608   0.262  14.497
   54    HE3  LYS   6           2HE      LYS   6   9.335   0.593  14.606
   55    HZ1  LYS   6           3HZ      LYS   6   9.011   1.466  16.814
   56    HZ2  LYS   6           1HZ      LYS   6   8.379  -0.098  16.726
   57    HZ3  LYS   6           2HZ      LYS   6   7.340   1.236  16.708
   58    H    THR   7           H        THR   7   8.900   1.736   9.569
   59    HA   THR   7           HA       THR   7  11.211   3.320   8.764
   60    HB   THR   7           HB       THR   7  12.705   1.387   9.294
   61    HG1  THR   7           1HG      THR   7  11.746   0.083  11.114
   62   HG21  THR   7          3HG2      THR   7  12.706   3.381  10.687
   63   HG22  THR   7          1HG2      THR   7  12.916   1.940  11.681
   64   HG23  THR   7          2HG2      THR   7  11.351   2.749  11.621
   65    H    ALA   8           H        ALA   8  12.258   2.662   6.901
   66    HA   ALA   8           HA       ALA   8  10.837   1.295   4.917
   67    HB1  ALA   8           1HB      ALA   8  12.774   2.802   4.514
   68    HB2  ALA   8           2HB      ALA   8  12.915   1.259   3.673
   69    HB3  ALA   8           3HB      ALA   8  13.842   1.550   5.143
   70    H    SER   9           H        SER   9  13.034   0.231   7.420
   71    HA   SER   9           HA       SER   9  13.433  -2.423   6.613
   72    HB2  SER   9           1HB      SER   9  13.351  -1.317   9.427
   73    HB3  SER   9           2HB      SER   9  14.119  -2.823   8.921
   74    HG   SER   9           HG       SER   9  15.402  -1.429   7.474
   75    H    GLU  10           H        GLU  10  10.850  -0.908   8.550
   76    HA   GLU  10           HA       GLU  10   9.521  -3.306   9.259
   77    HB2  GLU  10           1HB      GLU  10   8.591  -0.471   8.883
   78    HB3  GLU  10           2HB      GLU  10   7.438  -1.749   9.228
   79    HG2  GLU  10           1HG      GLU  10   9.794  -1.049  10.961
   80    HG3  GLU  10           2HG      GLU  10   8.144  -0.488  11.223
   81    H    PHE  11           H        PHE  11   9.297  -1.209   6.465
   82    HA   PHE  11           HA       PHE  11   7.185  -2.574   5.174
   83    HB2  PHE  11           1HB      PHE  11   7.394  -0.412   4.462
   84    HB3  PHE  11           2HB      PHE  11   9.151  -0.447   4.472
   85    HD1  PHE  11           1HD      PHE  11   6.131  -1.224   2.549
   86    HD2  PHE  11           2HD      PHE  11  10.381  -1.129   2.536
   87    HE1  PHE  11           1HE      PHE  11   6.120  -1.462   0.102
   88    HE2  PHE  11           2HE      PHE  11  10.380  -1.374   0.087
   89    HZ   PHE  11           HZ       PHE  11   8.249  -1.538  -1.134
   90    H    ASP  12           H        ASP  12  10.714  -2.649   4.694
   91    HA   ASP  12           HA       ASP  12  10.725  -4.433   2.540
   92    HB2  ASP  12           1HB      ASP  12  12.700  -3.134   3.196
   93    HB3  ASP  12           2HB      ASP  12  12.842  -4.086   4.672
   94    H    SER  13           H        SER  13  10.955  -5.087   6.024
   95    HA   SER  13           HA       SER  13  11.298  -7.881   5.699
   96    HB2  SER  13           1HB      SER  13  10.300  -6.363   8.122
   97    HB3  SER  13           2HB      SER  13  10.923  -8.014   8.116
   98    HG   SER  13           HG       SER  13  12.272  -5.610   8.042
   99    H    ALA  14           H        ALA  14   8.479  -5.835   5.819
  100    HA   ALA  14           HA       ALA  14   6.626  -7.985   6.207
  101    HB1  ALA  14           1HB      ALA  14   4.938  -6.336   5.360
  102    HB2  ALA  14           2HB      ALA  14   6.262  -5.188   5.153
  103    HB3  ALA  14           3HB      ALA  14   5.865  -5.793   6.763
  104    H    ILE  15           H        ILE  15   7.735  -6.140   3.378
  105    HA   ILE  15           HA       ILE  15   5.972  -7.413   1.586
  106    HB   ILE  15           HB       ILE  15   7.310  -6.405  -0.192
  107   HG12  ILE  15          1HG1      ILE  15   9.119  -5.341   1.966
  108   HG13  ILE  15          2HG1      ILE  15   9.510  -6.780   1.036
  109   HG21  ILE  15          1HG2      ILE  15   6.981  -4.074   0.462
  110   HG22  ILE  15          2HG2      ILE  15   6.839  -4.565   2.150
  111   HG23  ILE  15          3HG2      ILE  15   5.625  -5.077   0.978
  112   HD11  ILE  15          3HD1      ILE  15   9.448  -5.454  -1.018
  113   HD12  ILE  15          1HD1      ILE  15  10.626  -4.829   0.135
  114   HD13  ILE  15          2HD1      ILE  15   9.073  -4.017  -0.069
  115    H    ALA  16           H        ALA  16   8.957  -8.412   2.958
  116    HA   ALA  16           HA       ALA  16   9.586 -10.272   0.825
  117    HB1  ALA  16           1HB      ALA  16  11.456 -10.933   2.201
  118    HB2  ALA  16           2HB      ALA  16  10.797 -10.036   3.568
  119    HB3  ALA  16           3HB      ALA  16  11.357  -9.172   2.136
  120    H    GLN  17           H        GLN  17   7.359 -10.267   3.270
  121    HA   GLN  17           HA       GLN  17   7.667 -12.923   4.252
  122    HB2  GLN  17           1HB      GLN  17   5.318 -11.025   4.337
  123    HB3  GLN  17           2HB      GLN  17   5.329 -12.594   5.126
  124    HG2  GLN  17           1HG      GLN  17   7.267 -11.868   6.468
  125    HG3  GLN  17           2HG      GLN  17   7.153 -10.276   5.719
  126   HE21  GLN  17          1HE2      GLN  17   5.704 -12.511   7.938
  127   HE22  GLN  17          2HE2      GLN  17   4.614 -11.391   8.677
  128    H    ASP  18           H        ASP  18   6.018 -14.612   3.980
  129    HA   ASP  18           HA       ASP  18   5.686 -15.155   1.163
  130    HB2  ASP  18           1HB      ASP  18   4.911 -16.800   3.573
  131    HB3  ASP  18           2HB      ASP  18   4.954 -17.376   1.914
  132    H    LYS  19           H        LYS  19   4.046 -13.032   2.125
  133    HA   LYS  19           HA       LYS  19   1.390 -14.104   1.591
  134    HB2  LYS  19           1HB      LYS  19   0.540 -13.758   3.622
  135    HB3  LYS  19           2HB      LYS  19   2.201 -13.793   4.167
  136    HG2  LYS  19           1HG      LYS  19   1.747 -11.823   5.106
  137    HG3  LYS  19           2HG      LYS  19   1.882 -11.179   3.466
  138    HD2  LYS  19           1HD      LYS  19  -0.183 -10.451   4.618
  139    HD3  LYS  19           2HD      LYS  19  -0.495 -11.355   3.137
  140    HE2  LYS  19           1HE      LYS  19  -2.000 -12.019   4.951
  141    HE3  LYS  19           2HE      LYS  19  -0.969 -13.352   4.427
  142    HZ1  LYS  19           3HZ      LYS  19  -0.447 -11.633   6.799
  143    HZ2  LYS  19           1HZ      LYS  19   0.433 -13.002   6.332
  144    HZ3  LYS  19           2HZ      LYS  19  -1.162 -13.171   6.859
  145    H    LEU  20           H        LEU  20  -0.199 -12.236   1.486
  146    HA   LEU  20           HA       LEU  20   0.752 -10.361  -0.454
  147    HB2  LEU  20           1HB      LEU  20  -1.568 -11.446  -0.304
  148    HB3  LEU  20           2HB      LEU  20  -1.901 -10.297   0.972
  149    HG   LEU  20           HG       LEU  20  -2.889  -9.521  -1.076
  150   HD11  LEU  20          1HD1      LEU  20  -1.978  -7.802   0.396
  151   HD12  LEU  20          2HD1      LEU  20  -1.955  -7.316  -1.298
  152   HD13  LEU  20          3HD1      LEU  20  -0.463  -7.837  -0.510
  153   HD21  LEU  20          3HD2      LEU  20  -0.144  -9.683  -2.281
  154   HD22  LEU  20          1HD2      LEU  20  -1.557  -8.968  -3.056
  155   HD23  LEU  20          2HD2      LEU  20  -1.531 -10.692  -2.686
  156    H    VAL  21           H        VAL  21   2.152  -8.793   0.333
  157    HA   VAL  21           HA       VAL  21   1.006  -7.208   2.568
  158    HB   VAL  21           HB       VAL  21   3.883  -7.271   1.625
  159   HG11  VAL  21          1HG1      VAL  21   3.161  -4.993   2.269
  160   HG12  VAL  21          2HG1      VAL  21   4.346  -5.668   3.396
  161   HG13  VAL  21          3HG1      VAL  21   2.638  -5.627   3.832
  162   HG21  VAL  21          3HG2      VAL  21   3.188  -9.196   2.972
  163   HG22  VAL  21          1HG2      VAL  21   2.579  -8.107   4.218
  164   HG23  VAL  21          2HG2      VAL  21   4.306  -8.164   3.863
  165    H    VAL  22           H        VAL  22  -0.246  -5.657   1.791
  166    HA   VAL  22           HA       VAL  22   0.764  -4.072  -0.442
  167    HB   VAL  22           HB       VAL  22  -1.341  -4.565  -1.112
  168   HG11  VAL  22          1HG1      VAL  22  -3.246  -4.944   0.257
  169   HG12  VAL  22          2HG1      VAL  22  -2.406  -4.318   1.679
  170   HG13  VAL  22          3HG1      VAL  22  -1.878  -5.827   0.934
  171   HG21  VAL  22          3HG2      VAL  22  -1.208  -2.139  -1.044
  172   HG22  VAL  22          1HG2      VAL  22  -1.834  -2.135   0.605
  173   HG23  VAL  22          2HG2      VAL  22  -2.856  -2.675  -0.726
  174    H    VAL  23           H        VAL  23   1.965  -2.478   0.134
  175    HA   VAL  23           HA       VAL  23   1.181  -0.829   2.443
  176    HB   VAL  23           HB       VAL  23   3.850  -0.940   1.031
  177   HG11  VAL  23          1HG1      VAL  23   4.659   0.326   2.937
  178   HG12  VAL  23          2HG1      VAL  23   3.032   0.359   3.618
  179   HG13  VAL  23          3HG1      VAL  23   3.368   1.193   2.101
  180   HG21  VAL  23          3HG2      VAL  23   4.566  -2.043   3.201
  181   HG22  VAL  23          1HG2      VAL  23   3.601  -3.026   2.101
  182   HG23  VAL  23          2HG2      VAL  23   2.854  -2.298   3.519
  183    H    ALA  24           H        ALA  24   0.478   1.216   2.087
  184    HA   ALA  24           HA       ALA  24   0.832   2.400  -0.588
  185    HB1  ALA  24           1HB      ALA  24  -1.184   3.349   1.419
  186    HB2  ALA  24           2HB      ALA  24  -1.506   1.990   0.332
  187    HB3  ALA  24           3HB      ALA  24  -1.157   3.583  -0.333
  188    H    PHE  25           H        PHE  25   2.430   3.682  -0.722
  189    HA   PHE  25           HA       PHE  25   3.455   5.315   1.375
  190    HB2  PHE  25           1HB      PHE  25   3.753   5.541  -1.623
  191    HB3  PHE  25           2HB      PHE  25   4.777   6.343  -0.438
  192    HD1  PHE  25           1HD      PHE  25   3.846   3.088  -1.900
  193    HD2  PHE  25           2HD      PHE  25   6.594   5.203   0.567
  194    HE1  PHE  25           1HE      PHE  25   5.383   1.171  -1.981
  195    HE2  PHE  25           2HE      PHE  25   8.137   3.289   0.486
  196    HZ   PHE  25           HZ       PHE  25   7.534   1.270  -0.786
  197    H    TYR  26           H        TYR  26   2.130   6.943   2.224
  198    HA   TYR  26           HA       TYR  26   1.319   9.051   0.465
  199    HB2  TYR  26           1HB      TYR  26  -0.936   8.761   0.313
  200    HB3  TYR  26           2HB      TYR  26  -0.402   7.082   0.341
  201    HD1  TYR  26           2HD      TYR  26  -1.781   9.750   2.486
  202    HD2  TYR  26           1HD      TYR  26  -1.153   5.615   1.888
  203    HE1  TYR  26           2HE      TYR  26  -3.338   9.261   4.345
  204    HE2  TYR  26           1HE      TYR  26  -2.693   5.090   3.706
  205    HH   TYR  26           HH       TYR  26  -3.514   6.439   5.891
  206    H    ALA  27           H        ALA  27   0.611  10.929   1.491
  207    HA   ALA  27           HA       ALA  27   0.874  10.923   4.424
  208    HB1  ALA  27           1HB      ALA  27   1.660  13.282   4.188
  209    HB2  ALA  27           2HB      ALA  27   1.733  13.031   2.443
  210    HB3  ALA  27           3HB      ALA  27   2.769  12.090   3.517
  211    H    THR  28           H        THR  28  -0.387  12.700   5.435
  212    HA   THR  28           HA       THR  28  -3.036  12.404   4.391
  213    HB   THR  28           HB       THR  28  -3.611  13.665   6.575
  214    HG1  THR  28           1HG      THR  28  -1.733  14.526   7.255
  215   HG21  THR  28          3HG2      THR  28  -3.236  11.619   7.913
  216   HG22  THR  28          1HG2      THR  28  -2.202  10.993   6.630
  217   HG23  THR  28          2HG2      THR  28  -3.917  11.266   6.327
  218    H    TRP  29           H        TRP  29  -0.751  14.665   3.713
  219    HA   TRP  29           HA       TRP  29  -2.258  17.055   4.179
  220    HB2  TRP  29           1HB      TRP  29  -0.392  18.190   2.964
  221    HB3  TRP  29           2HB      TRP  29   0.108  17.242   4.355
  222    HD1  TRP  29           HD       TRP  29  -0.373  16.186   0.636
  223    HE1  TRP  29           1HE      TRP  29   1.797  15.041  -0.144
  224    HE3  TRP  29           3HE      TRP  29   2.394  16.709   4.899
  225    HZ2  TRP  29           2HZ      TRP  29   4.340  14.445   0.909
  226    HZ3  TRP  29           3HZ      TRP  29   4.689  15.825   4.928
  227    HH2  TRP  29           HH       TRP  29   5.640  14.716   2.973
  228    H    CYS  30           H        CYS  30  -2.345  14.796   1.622
  229    HA   CYS  30           HA       CYS  30  -2.986  16.869  -0.343
  230    HB2  CYS  30           1HB      CYS  30  -2.891  14.897  -1.972
  231    HB3  CYS  30           2HB      CYS  30  -1.383  15.439  -1.249
  232    H    GLY  31           H        GLY  31  -4.608  15.821  -2.122
  233    HA2  GLY  31           1HA      GLY  31  -7.137  15.596  -0.733
  234    HA3  GLY  31           2HA      GLY  31  -6.902  15.720  -2.468
  235    HA   PRO  32           HA       PRO  32  -7.359  11.428  -3.377
  236    HB2  PRO  32           1HB      PRO  32  -4.405  10.996  -3.506
  237    HB3  PRO  32           2HB      PRO  32  -5.661  10.532  -4.657
  238    HG2  PRO  32           1HG      PRO  32  -4.117  12.620  -5.157
  239    HG3  PRO  32           2HG      PRO  32  -5.853  12.681  -5.517
  240    HD2  PRO  32           1HD      PRO  32  -4.337  13.924  -3.265
  241    HD3  PRO  32           2HD      PRO  32  -5.733  14.549  -4.164
  242    H    CYS  33           H        CYS  33  -4.456  11.738  -1.355
  243    HA   CYS  33           HA       CYS  33  -4.523   9.312  -0.035
  244    HB2  CYS  33           1HB      CYS  33  -3.440  10.686   1.859
  245    HB3  CYS  33           2HB      CYS  33  -2.627  10.640   0.296
  246    H    LYS  34           H        LYS  34  -6.387  12.225   0.651
  247    HA   LYS  34           HA       LYS  34  -7.413  11.332   3.125
  248    HB2  LYS  34           1HB      LYS  34  -7.447  13.695   2.402
  249    HB3  LYS  34           2HB      LYS  34  -8.633  13.290   1.171
  250    HG2  LYS  34           1HG      LYS  34 -10.262  12.727   2.836
  251    HG3  LYS  34           2HG      LYS  34  -9.071  12.910   4.124
  252    HD2  LYS  34           1HD      LYS  34 -10.505  14.865   4.022
  253    HD3  LYS  34           2HD      LYS  34  -8.859  15.296   3.565
  254    HE2  LYS  34           1HE      LYS  34  -9.471  15.238   1.218
  255    HE3  LYS  34           2HE      LYS  34 -11.104  14.722   1.637
  256    HZ1  LYS  34           3HZ      LYS  34  -9.857  17.314   2.375
  257    HZ2  LYS  34           1HZ      LYS  34 -11.418  16.822   2.803
  258    HZ3  LYS  34           2HZ      LYS  34 -11.030  17.083   1.180
  259    H    MET  35           H        MET  35  -8.854  11.313  -0.156
  260    HA   MET  35           HA       MET  35 -11.257  10.101   0.657
  261    HB2  MET  35           1HB      MET  35 -11.603   9.570  -1.740
  262    HB3  MET  35           2HB      MET  35 -11.206  11.252  -1.435
  263    HG2  MET  35           1HG      MET  35  -8.885  10.784  -2.091
  264    HG3  MET  35           2HG      MET  35  -9.353   9.128  -2.456
  265    HE1  MET  35           3HE      MET  35 -11.801   9.602  -5.462
  266    HE2  MET  35           1HE      MET  35 -12.256   9.561  -3.759
  267    HE3  MET  35           2HE      MET  35 -11.027   8.456  -4.371
  268    H    ILE  36           H        ILE  36  -8.301   8.582  -0.665
  269    HA   ILE  36           HA       ILE  36  -9.556   6.010  -0.562
  270    HB   ILE  36           HB       ILE  36  -7.931   5.351  -1.894
  271   HG12  ILE  36          1HG1      ILE  36  -6.817   4.758   0.345
  272   HG13  ILE  36          2HG1      ILE  36  -5.844   4.714  -1.104
  273   HG21  ILE  36          1HG2      ILE  36  -6.182   6.843  -2.689
  274   HG22  ILE  36          2HG2      ILE  36  -6.557   7.969  -1.384
  275   HG23  ILE  36          3HG2      ILE  36  -7.757   7.634  -2.632
  276   HD11  ILE  36          3HD1      ILE  36  -4.854   6.869  -0.499
  277   HD12  ILE  36          1HD1      ILE  36  -4.639   5.669   0.780
  278   HD13  ILE  36          2HD1      ILE  36  -5.873   6.923   0.939
  279    H    ALA  37           H        ALA  37  -8.021   8.009   1.722
  280    HA   ALA  37           HA       ALA  37  -6.792   6.129   3.347
  281    HB1  ALA  37           1HB      ALA  37  -6.525   8.573   3.571
  282    HB2  ALA  37           2HB      ALA  37  -6.840   7.754   5.108
  283    HB3  ALA  37           3HB      ALA  37  -8.133   8.649   4.308
  284    HA   PRO  38           HA       PRO  38 -10.947   5.280   5.638
  285    HB2  PRO  38           1HB      PRO  38 -13.234   6.107   4.386
  286    HB3  PRO  38           2HB      PRO  38 -12.456   6.993   5.701
  287    HG2  PRO  38           1HG      PRO  38 -12.277   7.438   2.752
  288    HG3  PRO  38           2HG      PRO  38 -12.448   8.628   4.058
  289    HD2  PRO  38           1HD      PRO  38 -10.080   8.159   2.892
  290    HD3  PRO  38           2HD      PRO  38 -10.209   8.521   4.624
  291    H    MET  39           H        MET  39 -10.930   5.521   2.069
  292    HA   MET  39           HA       MET  39 -12.553   3.236   1.652
  293    HB2  MET  39           1HB      MET  39 -10.455   4.450  -0.126
  294    HB3  MET  39           2HB      MET  39 -11.526   3.158  -0.626
  295    HG2  MET  39           1HG      MET  39 -12.404   5.897   0.260
  296    HG3  MET  39           2HG      MET  39 -12.255   5.364  -1.412
  297    HE1  MET  39           3HE      MET  39 -14.630   5.928   1.428
  298    HE2  MET  39           1HE      MET  39 -13.995   4.398   2.030
  299    HE3  MET  39           2HE      MET  39 -15.669   4.505   1.492
  300    H    ILE  40           H        ILE  40  -8.953   3.393   1.292
  301    HA   ILE  40           HA       ILE  40  -8.768   0.587   1.148
  302    HB   ILE  40           HB       ILE  40  -6.755   2.767   1.642
  303   HG12  ILE  40          1HG1      ILE  40  -7.223   0.770  -0.586
  304   HG13  ILE  40          2HG1      ILE  40  -7.869   2.403  -0.560
  305   HG21  ILE  40          1HG2      ILE  40  -4.975   1.109   1.444
  306   HG22  ILE  40          2HG2      ILE  40  -6.168  -0.186   1.490
  307   HG23  ILE  40          3HG2      ILE  40  -5.942   0.853   2.899
  308   HD11  ILE  40          3HD1      ILE  40  -5.365   3.057  -0.310
  309   HD12  ILE  40          1HD1      ILE  40  -6.066   2.659  -1.887
  310   HD13  ILE  40          2HD1      ILE  40  -5.102   1.459  -1.014
  311    H    GLU  41           H        GLU  41  -8.999   2.714   3.872
  312    HA   GLU  41           HA       GLU  41  -8.294   0.905   5.900
  313    HB2  GLU  41           1HB      GLU  41  -8.828   3.332   6.221
  314    HB3  GLU  41           2HB      GLU  41 -10.523   2.947   5.969
  315    HG2  GLU  41           1HG      GLU  41 -10.060   3.161   8.318
  316    HG3  GLU  41           2HG      GLU  41 -10.469   1.489   7.938
  317    H    LYS  42           H        LYS  42 -11.356   1.407   4.146
  318    HA   LYS  42           HA       LYS  42 -12.819  -0.559   5.563
  319    HB2  LYS  42           1HB      LYS  42 -13.879   1.191   4.172
  320    HB3  LYS  42           2HB      LYS  42 -13.229   0.422   2.728
  321    HG2  LYS  42           1HG      LYS  42 -14.520  -1.664   3.840
  322    HG3  LYS  42           2HG      LYS  42 -15.524  -0.329   4.411
  323    HD2  LYS  42           1HD      LYS  42 -15.612   0.480   2.032
  324    HD3  LYS  42           2HD      LYS  42 -14.827  -1.037   1.571
  325    HE2  LYS  42           1HE      LYS  42 -17.450  -0.804   3.041
  326    HE3  LYS  42           2HE      LYS  42 -17.279  -1.121   1.317
  327    HZ1  LYS  42           3HZ      LYS  42 -17.653  -3.141   2.616
  328    HZ2  LYS  42           1HZ      LYS  42 -16.226  -2.868   3.477
  329    HZ3  LYS  42           2HZ      LYS  42 -16.167  -3.182   1.816
  330    H    PHE  43           H        PHE  43 -10.887  -0.680   2.615
  331    HA   PHE  43           HA       PHE  43 -11.461  -3.373   2.008
  332    HB2  PHE  43           1HB      PHE  43  -9.190  -1.593   1.175
  333    HB3  PHE  43           2HB      PHE  43  -9.373  -3.257   0.630
  334    HD1  PHE  43           1HD      PHE  43 -11.443  -0.170   0.895
  335    HD2  PHE  43           2HD      PHE  43 -10.386  -3.596  -1.391
  336    HE1  PHE  43           1HE      PHE  43 -12.937   0.582  -0.908
  337    HE2  PHE  43           2HE      PHE  43 -11.874  -2.852  -3.189
  338    HZ   PHE  43           HZ       PHE  43 -13.156  -0.763  -2.959
  339    H    SER  44           H        SER  44  -9.525  -1.929   4.357
  340    HA   SER  44           HA       SER  44  -7.771  -4.198   4.728
  341    HB2  SER  44           1HB      SER  44  -6.534  -2.885   6.190
  342    HB3  SER  44           2HB      SER  44  -7.177  -1.673   5.075
  343    HG   SER  44           HG       SER  44  -8.764  -1.173   6.602
  344    H    GLU  45           H        GLU  45 -10.805  -3.094   5.663
  345    HA   GLU  45           HA       GLU  45 -10.997  -4.837   7.965
  346    HB2  GLU  45           1HB      GLU  45 -12.408  -2.802   7.747
  347    HB3  GLU  45           2HB      GLU  45 -13.171  -3.505   6.328
  348    HG2  GLU  45           1HG      GLU  45 -13.916  -5.399   7.793
  349    HG3  GLU  45           2HG      GLU  45 -13.343  -4.457   9.170
  350    H    GLN  46           H        GLN  46 -11.481  -4.898   4.533
  351    HA   GLN  46           HA       GLN  46 -12.614  -7.598   4.665
  352    HB2  GLN  46           1HB      GLN  46 -13.454  -7.179   2.396
  353    HB3  GLN  46           2HB      GLN  46 -14.073  -6.036   3.575
  354    HG2  GLN  46           1HG      GLN  46 -12.433  -4.393   2.852
  355    HG3  GLN  46           2HG      GLN  46 -11.851  -5.525   1.628
  356   HE21  GLN  46          1HE2      GLN  46 -13.050  -2.869   1.316
  357   HE22  GLN  46          2HE2      GLN  46 -14.417  -3.092   0.281
  358    H    TYR  47           H        TYR  47  -9.750  -6.920   4.821
  359    HA   TYR  47           HA       TYR  47  -8.766  -8.375   2.479
  360    HB2  TYR  47           1HB      TYR  47  -6.544  -7.773   3.178
  361    HB3  TYR  47           2HB      TYR  47  -7.563  -6.344   3.266
  362    HD1  TYR  47           2HD      TYR  47  -8.802  -7.621   6.008
  363    HD2  TYR  47           1HD      TYR  47  -4.951  -6.514   4.628
  364    HE1  TYR  47           2HE      TYR  47  -8.064  -7.315   8.339
  365    HE2  TYR  47           1HE      TYR  47  -4.198  -6.201   6.942
  366    HH   TYR  47           HH       TYR  47  -6.009  -7.279   9.630
  367    HA   PRO  48           HA       PRO  48  -9.644 -11.749   5.554
  368    HB2  PRO  48           1HB      PRO  48  -9.664 -13.388   3.083
  369    HB3  PRO  48           2HB      PRO  48 -10.834 -13.326   4.406
  370    HG2  PRO  48           1HG      PRO  48 -11.389 -12.210   2.055
  371    HG3  PRO  48           2HG      PRO  48 -11.872 -11.424   3.570
  372    HD2  PRO  48           1HD      PRO  48  -9.572 -10.796   1.759
  373    HD3  PRO  48           2HD      PRO  48 -10.673  -9.689   2.603
  374    H    GLN  49           H        GLN  49  -7.458 -12.227   2.727
  375    HA   GLN  49           HA       GLN  49  -5.775 -13.822   4.545
  376    HB2  GLN  49           1HB      GLN  49  -4.933 -15.075   2.685
  377    HB3  GLN  49           2HB      GLN  49  -6.688 -15.127   2.666
  378    HG2  GLN  49           1HG      GLN  49  -6.837 -13.753   0.808
  379    HG3  GLN  49           2HG      GLN  49  -5.207 -13.117   1.025
  380   HE21  GLN  49          1HE2      GLN  49  -3.449 -14.354   0.391
  381   HE22  GLN  49          2HE2      GLN  49  -3.603 -15.682  -0.698
  382    H    ALA  50           H        ALA  50  -5.704 -10.823   3.923
  383    HA   ALA  50           HA       ALA  50  -2.954 -10.738   2.890
  384    HB1  ALA  50           1HB      ALA  50  -4.477  -9.978   1.170
  385    HB2  ALA  50           2HB      ALA  50  -3.510  -8.630   1.766
  386    HB3  ALA  50           3HB      ALA  50  -5.185  -8.809   2.280
  387    H    ASP  51           H        ASP  51  -1.809  -8.756   3.445
  388    HA   ASP  51           HA       ASP  51  -2.631  -7.643   6.043
  389    HB2  ASP  51           1HB      ASP  51   0.048  -8.441   4.992
  390    HB3  ASP  51           2HB      ASP  51  -0.037  -7.076   6.099
  391    H    PHE  52           H        PHE  52  -2.791  -5.494   6.237
  392    HA   PHE  52           HA       PHE  52  -2.372  -3.919   3.784
  393    HB2  PHE  52           1HB      PHE  52  -4.634  -4.198   5.622
  394    HB3  PHE  52           2HB      PHE  52  -4.220  -2.529   5.265
  395    HD1  PHE  52           1HD      PHE  52  -4.252  -5.608   3.130
  396    HD2  PHE  52           2HD      PHE  52  -5.733  -1.694   3.835
  397    HE1  PHE  52           1HE      PHE  52  -5.571  -5.736   1.057
  398    HE2  PHE  52           2HE      PHE  52  -7.056  -1.812   1.793
  399    HZ   PHE  52           HZ       PHE  52  -6.975  -3.830   0.378
  400    H    TYR  53           H        TYR  53  -0.951  -2.326   3.926
  401    HA   TYR  53           HA       TYR  53  -0.721  -0.849   6.446
  402    HB2  TYR  53           1HB      TYR  53   1.733  -1.564   4.848
  403    HB3  TYR  53           2HB      TYR  53   1.643  -0.901   6.483
  404    HD1  TYR  53           1HD      TYR  53   0.919  -2.347   8.352
  405    HD2  TYR  53           2HD      TYR  53   1.693  -3.936   4.495
  406    HE1  TYR  53           1HE      TYR  53   1.128  -4.586   9.335
  407    HE2  TYR  53           2HE      TYR  53   1.903  -6.191   5.467
  408    HH   TYR  53           HH       TYR  53   2.427  -7.217   7.632
  409    H    LYS  54           H        LYS  54  -0.069   1.342   6.154
  410    HA   LYS  54           HA       LYS  54   0.453   2.191   3.412
  411    HB2  LYS  54           1HB      LYS  54  -1.666   3.558   5.090
  412    HB3  LYS  54           2HB      LYS  54  -1.111   4.088   3.493
  413    HG2  LYS  54           1HG      LYS  54  -1.993   2.035   2.500
  414    HG3  LYS  54           2HG      LYS  54  -2.497   1.454   4.072
  415    HD2  LYS  54           1HD      LYS  54  -3.633   3.843   2.574
  416    HD3  LYS  54           2HD      LYS  54  -4.402   2.294   2.860
  417    HE2  LYS  54           1HE      LYS  54  -4.671   2.680   5.144
  418    HE3  LYS  54           2HE      LYS  54  -3.533   4.023   5.150
  419    HZ1  LYS  54           3HZ      LYS  54  -5.084   5.389   4.039
  420    HZ2  LYS  54           1HZ      LYS  54  -5.937   4.630   5.285
  421    HZ3  LYS  54           2HZ      LYS  54  -6.115   4.090   3.692
  422    H    LEU  55           H        LEU  55   2.163   3.497   3.322
  423    HA   LEU  55           HA       LEU  55   3.492   4.020   5.853
  424    HB2  LEU  55           1HB      LEU  55   4.393   4.713   3.052
  425    HB3  LEU  55           2HB      LEU  55   5.362   4.865   4.493
  426    HG   LEU  55           HG       LEU  55   4.372   2.304   3.277
  427   HD11  LEU  55          1HD1      LEU  55   7.130   3.464   3.591
  428   HD12  LEU  55          2HD1      LEU  55   6.238   3.277   2.083
  429   HD13  LEU  55          3HD1      LEU  55   6.762   1.853   2.979
  430   HD21  LEU  55          3HD2      LEU  55   5.918   2.815   5.796
  431   HD22  LEU  55          1HD2      LEU  55   5.738   1.236   5.028
  432   HD23  LEU  55          2HD2      LEU  55   4.319   2.077   5.652
  433    H    ASP  56           H        ASP  56   3.767   5.927   6.865
  434    HA   ASP  56           HA       ASP  56   2.650   8.364   5.912
  435    HB2  ASP  56           1HB      ASP  56   4.819   7.825   7.964
  436    HB3  ASP  56           2HB      ASP  56   4.095   9.399   7.672
  437    H    VAL  57           H        VAL  57   3.440   8.721   3.817
  438    HA   VAL  57           HA       VAL  57   5.999   8.074   2.951
  439    HB   VAL  57           HB       VAL  57   3.839   8.588   1.636
  440   HG11  VAL  57          1HG1      VAL  57   3.842  10.850   0.604
  441   HG12  VAL  57          2HG1      VAL  57   5.029  11.345   1.812
  442   HG13  VAL  57          3HG1      VAL  57   3.421  10.826   2.313
  443   HG21  VAL  57          3HG2      VAL  57   5.904   7.845   0.647
  444   HG22  VAL  57          1HG2      VAL  57   6.513   9.498   0.622
  445   HG23  VAL  57          2HG2      VAL  57   5.124   9.054  -0.372
  446    H    ASP  58           H        ASP  58   5.287  10.498   5.128
  447    HA   ASP  58           HA       ASP  58   7.248  12.412   4.057
  448    HB2  ASP  58           1HB      ASP  58   5.228  13.425   4.944
  449    HB3  ASP  58           2HB      ASP  58   5.393  12.532   6.450
  450    H    GLU  59           H        GLU  59   6.586  10.152   6.547
  451    HA   GLU  59           HA       GLU  59   9.113  10.416   7.902
  452    HB2  GLU  59           1HB      GLU  59   7.243   9.782   9.217
  453    HB3  GLU  59           2HB      GLU  59   6.729   8.579   8.048
  454    HG2  GLU  59           1HG      GLU  59   7.582   7.344   9.773
  455    HG3  GLU  59           2HG      GLU  59   8.889   7.388   8.599
  456    H    LEU  60           H        LEU  60   7.567   8.398   5.513
  457    HA   LEU  60           HA       LEU  60   9.983   6.779   5.156
  458    HB2  LEU  60           1HB      LEU  60   7.086   6.319   4.435
  459    HB3  LEU  60           2HB      LEU  60   8.373   5.392   3.688
  460    HG   LEU  60           HG       LEU  60   7.532   4.052   5.428
  461   HD11  LEU  60          1HD1      LEU  60   9.397   3.763   6.923
  462   HD12  LEU  60          2HD1      LEU  60   9.981   5.384   6.557
  463   HD13  LEU  60          3HD1      LEU  60   9.989   4.140   5.301
  464   HD21  LEU  60          3HD2      LEU  60   7.745   6.447   7.239
  465   HD22  LEU  60          1HD2      LEU  60   7.308   4.817   7.752
  466   HD23  LEU  60          2HD2      LEU  60   6.263   5.702   6.642
  467    H    GLY  61           H        GLY  61  10.432   9.182   4.191
  468    HA2  GLY  61           1HA      GLY  61   9.482   9.535   1.493
  469    HA3  GLY  61           2HA      GLY  61  10.693  10.510   2.310
  470    H    ASP  62           H        ASP  62  12.454   8.415   3.013
  471    HA   ASP  62           HA       ASP  62  13.932   8.314   0.588
  472    HB2  ASP  62           1HB      ASP  62  14.393   7.087   3.300
  473    HB3  ASP  62           2HB      ASP  62  15.507   6.859   1.956
  474    H    VAL  63           H        VAL  63  12.066   5.900   2.406
  475    HA   VAL  63           HA       VAL  63  12.732   3.763   0.656
  476    HB   VAL  63           HB       VAL  63  11.849   3.227   2.854
  477   HG11  VAL  63          1HG1      VAL  63   9.265   4.446   1.958
  478   HG12  VAL  63          2HG1      VAL  63  10.372   5.126   3.152
  479   HG13  VAL  63          3HG1      VAL  63   9.564   3.588   3.473
  480   HG21  VAL  63          3HG2      VAL  63  11.475   1.585   1.134
  481   HG22  VAL  63          1HG2      VAL  63  10.001   2.419   0.634
  482   HG23  VAL  63          2HG2      VAL  63  10.078   1.637   2.213
  483    H    ALA  64           H        ALA  64  10.126   6.115   0.722
  484    HA   ALA  64           HA       ALA  64   8.604   5.220  -1.429
  485    HB1  ALA  64           1HB      ALA  64   7.818   7.509  -1.627
  486    HB2  ALA  64           2HB      ALA  64   9.173   8.077  -0.651
  487    HB3  ALA  64           3HB      ALA  64   7.939   7.042   0.069
  488    H    GLN  65           H        GLN  65  11.598   7.062  -1.367
  489    HA   GLN  65           HA       GLN  65  11.598   7.707  -4.142
  490    HB2  GLN  65           1HB      GLN  65  13.821   7.654  -2.090
  491    HB3  GLN  65           2HB      GLN  65  14.009   8.267  -3.729
  492    HG2  GLN  65           1HG      GLN  65  12.384  10.000  -3.311
  493    HG3  GLN  65           2HG      GLN  65  12.054   9.344  -1.704
  494   HE21  GLN  65          1HE2      GLN  65  12.617  11.270  -0.706
  495   HE22  GLN  65          2HE2      GLN  65  14.261  11.799  -0.583
  496    H    LYS  66           H        LYS  66  12.876   5.080  -2.212
  497    HA   LYS  66           HA       LYS  66  14.432   3.766  -4.095
  498    HB2  LYS  66           1HB      LYS  66  12.729   2.693  -1.850
  499    HB3  LYS  66           2HB      LYS  66  13.921   1.748  -2.723
  500    HG2  LYS  66           1HG      LYS  66  15.685   3.234  -1.929
  501    HG3  LYS  66           2HG      LYS  66  14.470   4.185  -1.072
  502    HD2  LYS  66           1HD      LYS  66  13.932   2.324   0.351
  503    HD3  LYS  66           2HD      LYS  66  14.992   1.263  -0.573
  504    HE2  LYS  66           1HE      LYS  66  15.927   2.093   1.604
  505    HE3  LYS  66           2HE      LYS  66  16.932   2.393   0.185
  506    HZ1  LYS  66           3HZ      LYS  66  16.872   4.335   1.572
  507    HZ2  LYS  66           1HZ      LYS  66  15.182   4.360   1.558
  508    HZ3  LYS  66           2HZ      LYS  66  16.044   4.672   0.136
  509    H    ASN  67           H        ASN  67  11.007   3.632  -3.405
  510    HA   ASN  67           HA       ASN  67  10.568   1.564  -5.405
  511    HB2  ASN  67           1HB      ASN  67   8.752   2.834  -3.352
  512    HB3  ASN  67           2HB      ASN  67   8.219   1.612  -4.503
  513   HD21  ASN  67          1HD2      ASN  67  10.335   2.258  -1.786
  514   HD22  ASN  67          2HD2      ASN  67  10.571   0.608  -1.325
  515    H    GLU  68           H        GLU  68  11.050   4.652  -5.651
  516    HA   GLU  68           HA       GLU  68  10.625   6.250  -7.187
  517    HB2  GLU  68           1HB      GLU  68   9.356   4.019  -8.775
  518    HB3  GLU  68           2HB      GLU  68   9.957   5.547  -9.407
  519    HG2  GLU  68           1HG      GLU  68  12.227   4.887  -8.588
  520    HG3  GLU  68           2HG      GLU  68  11.559   3.298  -8.220
  521    H    VAL  69           H        VAL  69   8.890   6.325  -5.173
  522    HA   VAL  69           HA       VAL  69   6.165   6.360  -6.087
  523    HB   VAL  69           HB       VAL  69   7.466   7.328  -3.542
  524   HG11  VAL  69          1HG1      VAL  69   5.469   8.665  -3.969
  525   HG12  VAL  69          2HG1      VAL  69   5.218   7.563  -2.616
  526   HG13  VAL  69          3HG1      VAL  69   4.525   7.193  -4.195
  527   HG21  VAL  69          3HG2      VAL  69   6.354   5.378  -2.559
  528   HG22  VAL  69          1HG2      VAL  69   7.469   4.918  -3.847
  529   HG23  VAL  69          2HG2      VAL  69   5.732   4.941  -4.151
  530    H    SER  70           H        SER  70   5.332   7.901  -7.292
  531    HA   SER  70           HA       SER  70   6.276  10.659  -6.917
  532    HB2  SER  70           1HB      SER  70   5.634  10.947  -9.384
  533    HB3  SER  70           2HB      SER  70   7.104  10.033  -9.042
  534    HG   SER  70           HG       SER  70   6.231   8.380  -9.976
  535    H    ALA  71           H        ALA  71   3.590   8.848  -8.393
  536    HA   ALA  71           HA       ALA  71   1.688  10.887  -7.699
  537    HB1  ALA  71           1HB      ALA  71   1.234   8.101  -8.766
  538    HB2  ALA  71           2HB      ALA  71   1.425   9.559  -9.740
  539    HB3  ALA  71           3HB      ALA  71   0.030   9.386  -8.674
  540    H    MET  72           H        MET  72   0.543  11.036  -5.878
  541    HA   MET  72           HA       MET  72   0.769   8.840  -3.945
  542    HB2  MET  72           1HB      MET  72   0.361  10.451  -2.214
  543    HB3  MET  72           2HB      MET  72   1.599  11.103  -3.275
  544    HG2  MET  72           1HG      MET  72  -1.316  11.849  -3.375
  545    HG3  MET  72           2HG      MET  72  -0.068  12.772  -2.545
  546    HE1  MET  72           3HE      MET  72  -1.067  14.915  -5.722
  547    HE2  MET  72           1HE      MET  72  -1.051  14.861  -3.960
  548    HE3  MET  72           2HE      MET  72  -2.147  13.817  -4.865
  549    HA   PRO  73           HA       PRO  73  -0.053   7.872  -2.409
  550    HB2  PRO  73           1HB      PRO  73  -1.465   5.700  -1.817
  551    HB3  PRO  73           2HB      PRO  73  -1.906   7.265  -1.118
  552    HG2  PRO  73           1HG      PRO  73  -3.107   5.841  -3.468
  553    HG3  PRO  73           2HG      PRO  73  -3.928   6.638  -2.115
  554    HD2  PRO  73           1HD      PRO  73  -3.526   7.812  -4.556
  555    HD3  PRO  73           2HD      PRO  73  -3.695   8.722  -3.043
  556    H    THR  74           H        THR  74   0.999   5.684  -2.546
  557    HA   THR  74           HA       THR  74   0.757   4.540  -5.237
  558    HB   THR  74           HB       THR  74   3.235   4.513  -3.501
  559    HG1  THR  74           1HG      THR  74   2.232   6.428  -5.178
  560   HG21  THR  74          3HG2      THR  74   2.793   3.755  -6.391
  561   HG22  THR  74          1HG2      THR  74   3.092   2.638  -5.062
  562   HG23  THR  74          2HG2      THR  74   4.350   3.767  -5.563
  563    H    LEU  75           H        LEU  75  -0.209   2.629  -5.156
  564    HA   LEU  75           HA       LEU  75  -0.107   1.083  -2.662
  565    HB2  LEU  75           1HB      LEU  75  -2.108   1.424  -4.829
  566    HB3  LEU  75           2HB      LEU  75  -1.998  -0.141  -4.057
  567    HG   LEU  75           HG       LEU  75  -3.759   1.267  -3.078
  568   HD11  LEU  75          1HD1      LEU  75  -3.109   0.996  -0.728
  569   HD12  LEU  75          2HD1      LEU  75  -1.448   0.698  -1.235
  570   HD13  LEU  75          3HD1      LEU  75  -2.725  -0.425  -1.697
  571   HD21  LEU  75          3HD2      LEU  75  -3.122   3.214  -1.706
  572   HD22  LEU  75          1HD2      LEU  75  -2.802   3.455  -3.424
  573   HD23  LEU  75          2HD2      LEU  75  -1.475   3.083  -2.324
  574    H    LEU  76           H        LEU  76   1.484  -0.361  -2.780
  575    HA   LEU  76           HA       LEU  76   1.594  -2.017  -5.212
  576    HB2  LEU  76           1HB      LEU  76   4.007  -1.483  -3.484
  577    HB3  LEU  76           2HB      LEU  76   3.959  -2.131  -5.109
  578    HG   LEU  76           HG       LEU  76   3.346   0.734  -4.378
  579   HD11  LEU  76          1HD1      LEU  76   5.800  -0.477  -5.644
  580   HD12  LEU  76          2HD1      LEU  76   5.695   0.191  -4.015
  581   HD13  LEU  76          3HD1      LEU  76   5.497   1.245  -5.414
  582   HD21  LEU  76          3HD2      LEU  76   3.676  -0.624  -7.043
  583   HD22  LEU  76          1HD2      LEU  76   3.483   1.111  -6.795
  584   HD23  LEU  76          2HD2      LEU  76   2.171   0.009  -6.374
  585    H    LEU  77           H        LEU  77   0.777  -3.920  -4.655
  586    HA   LEU  77           HA       LEU  77   1.258  -4.881  -1.970
  587    HB2  LEU  77           1HB      LEU  77   0.110  -6.861  -3.709
  588    HB3  LEU  77           2HB      LEU  77  -0.533  -6.158  -2.243
  589    HG   LEU  77           HG       LEU  77  -0.838  -5.030  -5.027
  590   HD11  LEU  77          1HD1      LEU  77  -3.219  -5.633  -4.636
  591   HD12  LEU  77          2HD1      LEU  77  -2.746  -6.392  -3.116
  592   HD13  LEU  77          3HD1      LEU  77  -2.150  -7.035  -4.651
  593   HD21  LEU  77          3HD2      LEU  77  -2.167  -3.309  -4.162
  594   HD22  LEU  77          1HD2      LEU  77  -0.766  -3.342  -3.095
  595   HD23  LEU  77          2HD2      LEU  77  -2.291  -4.069  -2.579
  596    H    PHE  78           H        PHE  78   2.976  -5.893  -1.457
  597    HA   PHE  78           HA       PHE  78   4.608  -7.105  -3.568
  598    HB2  PHE  78           1HB      PHE  78   5.263  -6.023  -0.837
  599    HB3  PHE  78           2HB      PHE  78   6.388  -7.030  -1.729
  600    HD1  PHE  78           2HD      PHE  78   7.311  -6.208  -3.893
  601    HD2  PHE  78           1HD      PHE  78   4.997  -3.737  -1.317
  602    HE1  PHE  78           2HE      PHE  78   8.180  -4.211  -5.033
  603    HE2  PHE  78           1HE      PHE  78   5.866  -1.735  -2.448
  604    HZ   PHE  78           HZ       PHE  78   7.460  -1.970  -4.309
  605    H    LYS  79           H        LYS  79   5.399  -9.198  -3.305
  606    HA   LYS  79           HA       LYS  79   4.421 -10.685  -0.993
  607    HB2  LYS  79           1HB      LYS  79   3.761 -11.150  -3.872
  608    HB3  LYS  79           2HB      LYS  79   3.651 -12.428  -2.688
  609    HG2  LYS  79           1HG      LYS  79   2.199 -10.762  -1.372
  610    HG3  LYS  79           2HG      LYS  79   1.966 -10.031  -2.958
  611    HD2  LYS  79           1HD      LYS  79   0.194 -11.610  -2.611
  612    HD3  LYS  79           2HD      LYS  79   1.294 -12.286  -3.809
  613    HE2  LYS  79           1HE      LYS  79   2.354 -13.627  -2.036
  614    HE3  LYS  79           2HE      LYS  79   1.197 -12.978  -0.877
  615    HZ1  LYS  79           3HZ      LYS  79   0.512 -14.585  -3.275
  616    HZ2  LYS  79           1HZ      LYS  79  -0.589 -13.988  -2.135
  617    HZ3  LYS  79           2HZ      LYS  79   0.546 -15.157  -1.685
  618    H    ASN  80           H        ASN  80   6.041 -11.827  -0.203
  619    HA   ASN  80           HA       ASN  80   7.951 -13.034   0.006
  620    HB2  ASN  80           1HB      ASN  80   7.440 -13.776  -2.883
  621    HB3  ASN  80           2HB      ASN  80   8.561 -14.591  -1.806
  622   HD21  ASN  80          1HD2      ASN  80   5.266 -14.134  -2.685
  623   HD22  ASN  80          2HD2      ASN  80   4.613 -15.388  -1.694
  624    H    GLY  81           H        GLY  81   7.971 -10.251  -1.019
  625    HA2  GLY  81           1HA      GLY  81   9.519  -8.708  -1.713
  626    HA3  GLY  81           2HA      GLY  81  10.727  -9.982  -1.623
  627    H    LYS  82           H        LYS  82   8.050 -10.766  -3.594
  628    HA   LYS  82           HA       LYS  82   9.738 -10.325  -5.962
  629    HB2  LYS  82           1HB      LYS  82   7.582 -12.392  -5.481
  630    HB3  LYS  82           2HB      LYS  82   8.571 -12.250  -6.915
  631    HG2  LYS  82           1HG      LYS  82   9.548 -12.940  -4.160
  632    HG3  LYS  82           2HG      LYS  82   9.337 -14.064  -5.502
  633    HD2  LYS  82           1HD      LYS  82  11.021 -12.808  -6.786
  634    HD3  LYS  82           2HD      LYS  82  11.255 -11.737  -5.402
  635    HE2  LYS  82           1HE      LYS  82  12.994 -13.407  -5.424
  636    HE3  LYS  82           2HE      LYS  82  11.927 -13.691  -4.049
  637    HZ1  LYS  82           3HZ      LYS  82  11.860 -15.153  -6.634
  638    HZ2  LYS  82           1HZ      LYS  82  10.815 -15.423  -5.333
  639    HZ3  LYS  82           2HZ      LYS  82  12.465 -15.751  -5.175
  640    H    GLU  83           H        GLU  83   7.313  -8.951  -4.426
  641    HA   GLU  83           HA       GLU  83   5.668  -7.498  -4.966
  642    HB2  GLU  83           1HB      GLU  83   7.270  -6.905  -6.878
  643    HB3  GLU  83           2HB      GLU  83   6.310  -7.975  -7.884
  644    HG2  GLU  83           1HG      GLU  83   4.331  -6.562  -7.423
  645    HG3  GLU  83           2HG      GLU  83   5.369  -5.459  -6.521
  646    H    VAL  84           H        VAL  84   3.534  -7.470  -6.331
  647    HA   VAL  84           HA       VAL  84   2.760  -9.991  -7.438
  648    HB   VAL  84           HB       VAL  84   2.394 -10.020  -4.873
  649   HG11  VAL  84          1HG1      VAL  84   0.401  -9.184  -4.014
  650   HG12  VAL  84          2HG1      VAL  84  -0.188  -8.702  -5.605
  651   HG13  VAL  84          3HG1      VAL  84   1.170  -7.845  -4.867
  652   HG21  VAL  84          3HG2      VAL  84   1.687 -11.847  -6.112
  653   HG22  VAL  84          1HG2      VAL  84   0.426 -10.916  -6.927
  654   HG23  VAL  84          2HG2      VAL  84   0.256 -11.323  -5.216
  655    H    ALA  85           H        ALA  85   2.068  -6.690  -6.549
  656    HA   ALA  85           HA       ALA  85   0.915  -6.227  -9.156
  657    HB1  ALA  85           1HB      ALA  85  -1.149  -5.183  -8.311
  658    HB2  ALA  85           2HB      ALA  85  -0.770  -5.799  -6.702
  659    HB3  ALA  85           3HB      ALA  85  -1.096  -6.924  -8.019
  660    H    LYS  86           H        LYS  86   0.454  -3.928  -9.505
  661    HA   LYS  86           HA       LYS  86   1.607  -2.121  -7.570
  662    HB2  LYS  86           1HB      LYS  86   3.604  -2.557  -8.712
  663    HB3  LYS  86           2HB      LYS  86   2.800  -2.666 -10.268
  664    HG2  LYS  86           1HG      LYS  86   2.609  -0.333 -10.456
  665    HG3  LYS  86           2HG      LYS  86   2.985  -0.082  -8.753
  666    HD2  LYS  86           1HD      LYS  86   5.263  -0.865  -9.129
  667    HD3  LYS  86           2HD      LYS  86   4.887  -1.165 -10.827
  668    HE2  LYS  86           1HE      LYS  86   4.476   1.201 -11.179
  669    HE3  LYS  86           2HE      LYS  86   4.759   1.529  -9.469
  670    HZ1  LYS  86           3HZ      LYS  86   6.705   2.054 -10.772
  671    HZ2  LYS  86           1HZ      LYS  86   6.759   0.483 -11.402
  672    HZ3  LYS  86           2HZ      LYS  86   7.036   0.747  -9.756
  673    H    VAL  87           H        VAL  87   0.296  -0.458  -7.367
  674    HA   VAL  87           HA       VAL  87  -0.910   0.692  -9.801
  675    HB   VAL  87           HB       VAL  87  -2.218   0.904  -7.091
  676   HG11  VAL  87          1HG1      VAL  87  -2.879   2.563  -8.687
  677   HG12  VAL  87          2HG1      VAL  87  -4.209   1.419  -8.474
  678   HG13  VAL  87          3HG1      VAL  87  -3.189   1.327  -9.910
  679   HG21  VAL  87          3HG2      VAL  87  -3.764  -0.877  -7.654
  680   HG22  VAL  87          1HG2      VAL  87  -2.108  -1.494  -7.663
  681   HG23  VAL  87          2HG2      VAL  87  -2.925  -1.152  -9.187
  682    H    VAL  88           H        VAL  88  -0.608   2.859 -10.040
  683    HA   VAL  88           HA       VAL  88   0.873   4.177  -7.861
  684    HB   VAL  88           HB       VAL  88   1.459   4.832 -10.715
  685   HG11  VAL  88          1HG1      VAL  88   3.065   4.853  -8.167
  686   HG12  VAL  88          2HG1      VAL  88   2.418   6.251  -9.026
  687   HG13  VAL  88          3HG1      VAL  88   3.701   5.282  -9.754
  688   HG21  VAL  88          3HG2      VAL  88   2.816   2.581  -9.250
  689   HG22  VAL  88          1HG2      VAL  88   3.084   3.097 -10.915
  690   HG23  VAL  88          2HG2      VAL  88   1.551   2.337 -10.457
  691    H    GLY  89           H        GLY  89  -1.211   5.051  -7.290
  692    HA2  GLY  89           1HA      GLY  89  -1.553   7.680  -7.793
  693    HA3  GLY  89           2HA      GLY  89  -2.488   6.920  -9.078
  694    H    ALA  90           H        ALA  90  -4.147   8.252  -7.753
  695    HA   ALA  90           HA       ALA  90  -5.080   7.162  -5.302
  696    HB1  ALA  90           1HB      ALA  90  -6.966   8.574  -5.548
  697    HB2  ALA  90           2HB      ALA  90  -6.758   8.664  -7.293
  698    HB3  ALA  90           3HB      ALA  90  -5.602   9.460  -6.231
  699    H    ASN  91           H        ASN  91  -5.505   5.016  -5.285
  700    HA   ASN  91           HA       ASN  91  -7.383   4.054  -7.327
  701    HB2  ASN  91           1HB      ASN  91  -6.281   1.875  -7.269
  702    HB3  ASN  91           2HB      ASN  91  -5.149   3.140  -7.729
  703   HD21  ASN  91          1HD2      ASN  91  -4.841   0.445  -6.514
  704   HD22  ASN  91          2HD2      ASN  91  -3.881   0.693  -5.102
  705    HA   PRO  92           HA       PRO  92  -9.184   2.947  -3.179
  706    HB2  PRO  92           1HB      PRO  92 -11.537   4.453  -4.069
  707    HB3  PRO  92           2HB      PRO  92 -10.627   4.603  -2.565
  708    HG2  PRO  92           1HG      PRO  92 -10.599   6.501  -4.505
  709    HG3  PRO  92           2HG      PRO  92  -9.236   6.214  -3.410
  710    HD2  PRO  92           1HD      PRO  92  -9.601   5.350  -6.254
  711    HD3  PRO  92           2HD      PRO  92  -8.137   5.919  -5.428
  712    H    ALA  93           H        ALA  93 -10.402   3.342  -6.477
  713    HA   ALA  93           HA       ALA  93 -12.108   0.995  -6.275
  714    HB1  ALA  93           1HB      ALA  93 -11.507   2.790  -8.620
  715    HB2  ALA  93           2HB      ALA  93 -12.921   2.876  -7.570
  716    HB3  ALA  93           3HB      ALA  93 -12.681   1.476  -8.613
  717    H    ALA  94           H        ALA  94  -9.182   1.996  -8.021
  718    HA   ALA  94           HA       ALA  94  -8.842  -0.480  -9.391
  719    HB1  ALA  94           1HB      ALA  94  -7.906   1.490 -10.361
  720    HB2  ALA  94           2HB      ALA  94  -6.586   0.393  -9.951
  721    HB3  ALA  94           3HB      ALA  94  -6.921   1.794  -8.935
  722    H    ILE  95           H        ILE  95  -8.060   0.550  -6.184
  723    HA   ILE  95           HA       ILE  95  -6.087  -1.288  -5.521
  724    HB   ILE  95           HB       ILE  95  -7.213   0.331  -3.900
  725   HG12  ILE  95          1HG1      ILE  95  -6.770  -1.040  -1.946
  726   HG13  ILE  95          2HG1      ILE  95  -6.959  -2.518  -2.887
  727   HG21  ILE  95          1HG2      ILE  95  -9.524  -0.321  -4.331
  728   HG22  ILE  95          2HG2      ILE  95  -9.113  -0.461  -2.621
  729   HG23  ILE  95          3HG2      ILE  95  -9.199  -1.912  -3.630
  730   HD11  ILE  95          3HD1      ILE  95  -4.614  -1.952  -2.377
  731   HD12  ILE  95          1HD1      ILE  95  -4.790  -0.470  -3.313
  732   HD13  ILE  95          2HD1      ILE  95  -4.939  -2.037  -4.107
  733    H    LYS  96           H        LYS  96  -9.526  -1.675  -6.062
  734    HA   LYS  96           HA       LYS  96  -9.871  -4.334  -5.322
  735    HB2  LYS  96           1HB      LYS  96 -11.220  -2.550  -7.280
  736    HB3  LYS  96           2HB      LYS  96 -11.532  -4.274  -7.410
  737    HG2  LYS  96           1HG      LYS  96 -11.990  -2.554  -4.991
  738    HG3  LYS  96           2HG      LYS  96 -13.224  -3.207  -6.068
  739    HD2  LYS  96           1HD      LYS  96 -12.335  -5.504  -5.489
  740    HD3  LYS  96           2HD      LYS  96 -11.393  -4.720  -4.209
  741    HE2  LYS  96           1HE      LYS  96 -13.390  -3.972  -3.118
  742    HE3  LYS  96           2HE      LYS  96 -14.391  -4.450  -4.486
  743    HZ1  LYS  96           3HZ      LYS  96 -12.902  -6.272  -2.682
  744    HZ2  LYS  96           1HZ      LYS  96 -13.787  -6.759  -4.038
  745    HZ3  LYS  96           2HZ      LYS  96 -14.578  -6.052  -2.724
  746    H    GLN  97           H        GLN  97  -8.725  -2.983  -8.361
  747    HA   GLN  97           HA       GLN  97  -8.466  -5.248  -9.902
  748    HB2  GLN  97           1HB      GLN  97  -8.015  -2.875 -10.606
  749    HB3  GLN  97           2HB      GLN  97  -6.486  -2.956  -9.750
  750    HG2  GLN  97           1HG      GLN  97  -7.149  -4.903 -11.933
  751    HG3  GLN  97           2HG      GLN  97  -6.492  -3.310 -12.289
  752   HE21  GLN  97          1HE2      GLN  97  -4.782  -3.223  -9.948
  753   HE22  GLN  97          2HE2      GLN  97  -3.487  -4.336 -10.235
  754    H    ALA  98           H        ALA  98  -6.072  -3.877  -7.645
  755    HA   ALA  98           HA       ALA  98  -4.362  -6.189  -7.938
  756    HB1  ALA  98           1HB      ALA  98  -2.835  -5.031  -6.431
  757    HB2  ALA  98           2HB      ALA  98  -4.101  -3.874  -6.012
  758    HB3  ALA  98           3HB      ALA  98  -3.442  -3.903  -7.645
  759    H    ILE  99           H        ILE  99  -6.768  -5.136  -5.771
  760    HA   ILE  99           HA       ILE  99  -5.918  -6.664  -3.517
  761    HB   ILE  99           HB       ILE  99  -7.545  -4.477  -3.840
  762   HG12  ILE  99          1HG1      ILE  99  -6.238  -5.282  -1.845
  763   HG13  ILE  99          2HG1      ILE  99  -7.786  -4.520  -1.474
  764   HG21  ILE  99          1HG2      ILE  99  -9.400  -6.018  -4.548
  765   HG22  ILE  99          2HG2      ILE  99  -9.743  -4.867  -3.255
  766   HG23  ILE  99          3HG2      ILE  99  -9.435  -6.566  -2.870
  767   HD11  ILE  99          3HD1      ILE  99  -8.750  -6.495  -0.842
  768   HD12  ILE  99          1HD1      ILE  99  -7.082  -6.776  -0.339
  769   HD13  ILE  99          2HD1      ILE  99  -7.683  -7.464  -1.863
  770    H    ALA 100           H        ALA 100  -8.307  -7.035  -6.039
  771    HA   ALA 100           HA       ALA 100  -9.360  -9.440  -4.832
  772    HB1  ALA 100           1HB      ALA 100 -10.076  -8.129  -7.456
  773    HB2  ALA 100           2HB      ALA 100 -10.911  -7.894  -5.921
  774    HB3  ALA 100           3HB      ALA 100 -10.935  -9.474  -6.706
  775    H    ALA 101           H        ALA 101  -7.440  -8.490  -7.646
  776    HA   ALA 101           HA       ALA 101  -7.358 -11.082  -8.795
  777    HB1  ALA 101           1HB      ALA 101  -5.631 -10.198 -10.251
  778    HB2  ALA 101           2HB      ALA 101  -5.454  -8.783  -9.213
  779    HB3  ALA 101           3HB      ALA 101  -6.958  -9.045 -10.098
  780    H    ASN 102           H        ASN 102  -5.314  -9.408  -6.446
  781    HA   ASN 102           HA       ASN 102  -3.534 -11.764  -6.507
  782    HB2  ASN 102           1HB      ASN 102  -2.960  -9.039  -5.345
  783    HB3  ASN 102           2HB      ASN 102  -1.829 -10.387  -5.448
  784   HD21  ASN 102          1HD2      ASN 102  -3.400  -7.848  -7.106
  785   HD22  ASN 102          2HD2      ASN 102  -2.554  -7.995  -8.610
  786    H    ALA 103           H        ALA 103  -4.310  -9.402  -3.977
  787    HA   ALA 103           HA       ALA 103  -3.850 -10.915  -1.770
  788    HB1  ALA 103           1HB      ALA 103  -4.442  -8.524  -1.717
  789    HB2  ALA 103           2HB      ALA 103  -5.347  -9.459  -0.524
  790    HB3  ALA 103           3HB      ALA 103  -6.124  -8.950  -2.024
  Start of MODEL   19
    1    H1   MET   1           1H       MET   1  -9.399  -2.152  10.236
    2    H2   MET   1           2H       MET   1  -8.316  -3.320   9.675
    3    H3   MET   1           3H       MET   1  -8.749  -2.024   8.678
    4    HA   MET   1           HA       MET   1  -7.696  -0.478  10.165
    5    HB2  MET   1           1HB      MET   1  -6.391  -1.222  12.052
    6    HB3  MET   1           2HB      MET   1  -8.025  -1.837  12.228
    7    HG2  MET   1           1HG      MET   1  -5.685  -3.433  11.203
    8    HG3  MET   1           2HG      MET   1  -6.277  -3.460  12.860
    9    HE1  MET   1           3HE      MET   1  -8.542  -4.517  13.619
   10    HE2  MET   1           1HE      MET   1  -9.770  -5.132  12.512
   11    HE3  MET   1           2HE      MET   1  -9.413  -3.407  12.561
   12    H    VAL   2           H        VAL   2  -5.804   0.235   9.387
   13    HA   VAL   2           HA       VAL   2  -4.029  -1.734   8.128
   14    HB   VAL   2           HB       VAL   2  -4.597  -0.797   6.196
   15   HG11  VAL   2          1HG1      VAL   2  -5.688   1.351   5.898
   16   HG12  VAL   2          2HG1      VAL   2  -5.455   1.707   7.611
   17   HG13  VAL   2          3HG1      VAL   2  -6.496   0.367   7.119
   18   HG21  VAL   2          3HG2      VAL   2  -3.246   1.065   5.473
   19   HG22  VAL   2          1HG2      VAL   2  -2.301   0.033   6.542
   20   HG23  VAL   2          2HG2      VAL   2  -2.966   1.549   7.147
   21    H    THR   3           H        THR   3  -1.918  -1.584   8.488
   22    HA   THR   3           HA       THR   3  -1.127  -0.039  10.796
   23    HB   THR   3           HB       THR   3  -0.226  -2.456   9.402
   24    HG1  THR   3           1HG      THR   3  -0.927  -2.884  11.372
   25   HG21  THR   3          3HG2      THR   3   1.724  -0.966   9.012
   26   HG22  THR   3          1HG2      THR   3   2.091  -2.359  10.045
   27   HG23  THR   3          2HG2      THR   3   1.865  -0.764  10.766
   28    H    GLN   4           H        GLN   4   0.531   1.432  10.910
   29    HA   GLN   4           HA       GLN   4   1.650   2.342   8.356
   30    HB2  GLN   4           1HB      GLN   4   2.333   4.369   9.891
   31    HB3  GLN   4           2HB      GLN   4   0.723   4.259   9.201
   32    HG2  GLN   4           1HG      GLN   4   0.278   4.855  11.368
   33    HG3  GLN   4           2HG      GLN   4   0.103   3.103  11.424
   34   HE21  GLN   4          1HE2      GLN   4   3.232   4.713  11.313
   35   HE22  GLN   4          2HE2      GLN   4   3.690   4.311  12.927
   36    H    PHE   5           H        PHE   5   3.669   1.811   7.937
   37    HA   PHE   5           HA       PHE   5   5.375   0.653   9.935
   38    HB2  PHE   5           1HB      PHE   5   5.856   1.392   7.048
   39    HB3  PHE   5           2HB      PHE   5   7.123   0.752   8.081
   40    HD1  PHE   5           2HD      PHE   5   5.401  -1.259   9.585
   41    HD2  PHE   5           1HD      PHE   5   5.766  -0.318   5.450
   42    HE1  PHE   5           2HE      PHE   5   4.737  -3.552   9.004
   43    HE2  PHE   5           1HE      PHE   5   5.107  -2.616   4.864
   44    HZ   PHE   5           HZ       PHE   5   4.593  -4.232   6.646
   45    H    LYS   6           H        LYS   6   7.608   1.460  10.269
   46    HA   LYS   6           HA       LYS   6   7.632   4.389  10.381
   47    HB2  LYS   6           1HB      LYS   6   8.899   4.195  12.500
   48    HB3  LYS   6           2HB      LYS   6   7.264   3.544  12.596
   49    HG2  LYS   6           1HG      LYS   6   8.126   1.295  12.396
   50    HG3  LYS   6           2HG      LYS   6   9.766   1.907  12.206
   51    HD2  LYS   6           1HD      LYS   6   9.520   1.182  14.471
   52    HD3  LYS   6           2HD      LYS   6   9.561   2.945  14.473
   53    HE2  LYS   6           1HE      LYS   6   7.842   2.240  15.978
   54    HE3  LYS   6           2HE      LYS   6   7.070   2.932  14.554
   55    HZ1  LYS   6           3HZ      LYS   6   7.419   0.033  15.102
   56    HZ2  LYS   6           1HZ      LYS   6   6.686   0.688  13.727
   57    HZ3  LYS   6           2HZ      LYS   6   5.974   0.898  15.243
   58    H    THR   7           H        THR   7   9.339   1.527   9.500
   59    HA   THR   7           HA       THR   7  11.550   3.207   8.583
   60    HB   THR   7           HB       THR   7  13.131   1.352   8.971
   61    HG1  THR   7           1HG      THR   7  11.864   0.003  10.855
   62   HG21  THR   7          3HG2      THR   7  13.334   1.644  11.402
   63   HG22  THR   7          1HG2      THR   7  11.719   2.349  11.446
   64   HG23  THR   7          2HG2      THR   7  13.017   3.174  10.584
   65    H    ALA   8           H        ALA   8  12.595   2.560   6.658
   66    HA   ALA   8           HA       ALA   8  11.104   1.264   4.674
   67    HB1  ALA   8           1HB      ALA   8  13.122   1.198   3.387
   68    HB2  ALA   8           2HB      ALA   8  14.124   1.306   4.832
   69    HB3  ALA   8           3HB      ALA   8  13.160   2.690   4.328
   70    H    SER   9           H        SER   9  13.385   0.118   7.075
   71    HA   SER   9           HA       SER   9  13.705  -2.529   6.291
   72    HB2  SER   9           1HB      SER   9  14.959  -1.336   8.127
   73    HB3  SER   9           2HB      SER   9  13.542  -1.554   9.150
   74    HG   SER   9           HG       SER   9  15.068  -3.615   7.926
   75    H    GLU  10           H        GLU  10  11.169  -1.001   8.273
   76    HA   GLU  10           HA       GLU  10   9.786  -3.359   8.955
   77    HB2  GLU  10           1HB      GLU  10   8.899  -0.510   8.575
   78    HB3  GLU  10           2HB      GLU  10   7.752  -1.773   8.999
   79    HG2  GLU  10           1HG      GLU  10  10.205  -1.102  10.601
   80    HG3  GLU  10           2HG      GLU  10   8.591  -0.472  10.928
   81    H    PHE  11           H        PHE  11   9.553  -1.247   6.163
   82    HA   PHE  11           HA       PHE  11   7.403  -2.581   4.903
   83    HB2  PHE  11           1HB      PHE  11   7.671  -0.425   4.143
   84    HB3  PHE  11           2HB      PHE  11   9.427  -0.531   4.118
   85    HD1  PHE  11           2HD      PHE  11   6.349  -1.468   2.312
   86    HD2  PHE  11           1HD      PHE  11  10.586  -1.149   2.181
   87    HE1  PHE  11           2HE      PHE  11   6.291  -1.861  -0.114
   88    HE2  PHE  11           1HE      PHE  11  10.539  -1.546  -0.252
   89    HZ   PHE  11           HZ       PHE  11   8.391  -1.903  -1.399
   90    H    ASP  12           H        ASP  12  10.925  -2.704   4.296
   91    HA   ASP  12           HA       ASP  12  10.795  -4.497   2.163
   92    HB2  ASP  12           1HB      ASP  12  12.969  -3.697   4.062
   93    HB3  ASP  12           2HB      ASP  12  13.238  -4.960   2.876
   94    H    SER  13           H        SER  13  11.063  -5.059   5.634
   95    HA   SER  13           HA       SER  13  11.529  -7.855   5.385
   96    HB2  SER  13           1HB      SER  13  10.428  -6.324   7.754
   97    HB3  SER  13           2HB      SER  13  11.134  -7.940   7.791
   98    HG   SER  13           HG       SER  13  12.372  -5.447   7.477
   99    H    ALA  14           H        ALA  14   8.648  -5.858   5.611
  100    HA   ALA  14           HA       ALA  14   6.821  -7.991   6.059
  101    HB1  ALA  14           1HB      ALA  14   6.410  -5.247   4.888
  102    HB2  ALA  14           2HB      ALA  14   6.108  -5.756   6.551
  103    HB3  ALA  14           3HB      ALA  14   5.103  -6.379   5.235
  104    H    ILE  15           H        ILE  15   7.870  -6.263   3.143
  105    HA   ILE  15           HA       ILE  15   6.180  -7.701   1.395
  106    HB   ILE  15           HB       ILE  15   7.518  -6.757  -0.418
  107   HG12  ILE  15          1HG1      ILE  15   9.269  -5.510   1.688
  108   HG13  ILE  15          2HG1      ILE  15   9.702  -7.015   0.890
  109   HG21  ILE  15          1HG2      ILE  15   7.123  -4.404   0.083
  110   HG22  ILE  15          2HG2      ILE  15   6.994  -4.781   1.800
  111   HG23  ILE  15          3HG2      ILE  15   5.790  -5.398   0.671
  112   HD11  ILE  15          3HD1      ILE  15   9.269  -4.353  -0.439
  113   HD12  ILE  15          1HD1      ILE  15   9.654  -5.859  -1.270
  114   HD13  ILE  15          2HD1      ILE  15  10.818  -5.148  -0.152
  115    H    ALA  16           H        ALA  16   9.216  -8.448   2.854
  116    HA   ALA  16           HA       ALA  16   9.959 -10.477   0.948
  117    HB1  ALA  16           1HB      ALA  16  10.973 -10.086   3.754
  118    HB2  ALA  16           2HB      ALA  16  11.605  -9.240   2.341
  119    HB3  ALA  16           3HB      ALA  16  11.751 -10.995   2.458
  120    H    GLN  17           H        GLN  17   7.648 -10.295   3.323
  121    HA   GLN  17           HA       GLN  17   7.821 -12.977   4.306
  122    HB2  GLN  17           1HB      GLN  17   5.616 -10.916   4.444
  123    HB3  GLN  17           2HB      GLN  17   5.525 -12.493   5.211
  124    HG2  GLN  17           1HG      GLN  17   7.418 -11.958   6.616
  125    HG3  GLN  17           2HG      GLN  17   7.614 -10.408   5.798
  126   HE21  GLN  17          1HE2      GLN  17   7.353  -9.271   7.726
  127   HE22  GLN  17          2HE2      GLN  17   5.806  -9.101   8.484
  128    H    ASP  18           H        ASP  18   6.258 -14.645   3.879
  129    HA   ASP  18           HA       ASP  18   5.800 -14.880   1.041
  130    HB2  ASP  18           1HB      ASP  18   5.426 -16.753   3.361
  131    HB3  ASP  18           2HB      ASP  18   4.972 -17.193   1.721
  132    H    LYS  19           H        LYS  19   4.190 -12.923   2.308
  133    HA   LYS  19           HA       LYS  19   1.529 -13.982   1.662
  134    HB2  LYS  19           1HB      LYS  19   0.477 -12.837   3.405
  135    HB3  LYS  19           2HB      LYS  19   1.737 -13.840   4.107
  136    HG2  LYS  19           1HG      LYS  19   3.054 -12.000   4.662
  137    HG3  LYS  19           2HG      LYS  19   2.218 -10.949   3.510
  138    HD2  LYS  19           1HD      LYS  19   1.718 -10.862   6.127
  139    HD3  LYS  19           2HD      LYS  19   0.466 -10.562   4.917
  140    HE2  LYS  19           1HE      LYS  19  -0.151 -12.956   5.020
  141    HE3  LYS  19           2HE      LYS  19   1.029 -13.171   6.321
  142    HZ1  LYS  19           3HZ      LYS  19  -0.209 -11.590   7.670
  143    HZ2  LYS  19           1HZ      LYS  19  -1.194 -12.885   7.208
  144    HZ3  LYS  19           2HZ      LYS  19  -1.350 -11.390   6.437
  145    H    LEU  20           H        LEU  20  -0.016 -11.984   1.759
  146    HA   LEU  20           HA       LEU  20   0.906 -10.256  -0.390
  147    HB2  LEU  20           1HB      LEU  20  -1.388 -11.407  -0.242
  148    HB3  LEU  20           2HB      LEU  20  -1.785 -10.217   0.974
  149    HG   LEU  20           HG       LEU  20  -2.739  -9.590  -1.157
  150   HD11  LEU  20          1HD1      LEU  20  -2.080  -7.766   0.263
  151   HD12  LEU  20          2HD1      LEU  20  -1.831  -7.338  -1.428
  152   HD13  LEU  20          3HD1      LEU  20  -0.455  -7.782  -0.417
  153   HD21  LEU  20          3HD2      LEU  20  -1.444  -9.108  -3.114
  154   HD22  LEU  20          1HD2      LEU  20  -1.112 -10.761  -2.594
  155   HD23  LEU  20          2HD2      LEU  20   0.056  -9.481  -2.259
  156    H    VAL  21           H        VAL  21   2.148  -8.577   0.283
  157    HA   VAL  21           HA       VAL  21   1.071  -6.971   2.506
  158    HB   VAL  21           HB       VAL  21   3.928  -7.114   1.499
  159   HG11  VAL  21          1HG1      VAL  21   2.768  -5.394   3.698
  160   HG12  VAL  21          2HG1      VAL  21   3.269  -4.807   2.108
  161   HG13  VAL  21          3HG1      VAL  21   4.468  -5.482   3.220
  162   HG21  VAL  21          3HG2      VAL  21   3.262  -8.990   2.906
  163   HG22  VAL  21          1HG2      VAL  21   2.666  -7.875   4.137
  164   HG23  VAL  21          2HG2      VAL  21   4.390  -7.939   3.765
  165    H    VAL  22           H        VAL  22  -0.182  -5.442   1.675
  166    HA   VAL  22           HA       VAL  22   0.793  -3.964  -0.644
  167    HB   VAL  22           HB       VAL  22  -1.311  -4.493  -1.281
  168   HG11  VAL  22          1HG1      VAL  22  -2.240  -4.301   1.561
  169   HG12  VAL  22          2HG1      VAL  22  -1.899  -5.774   0.652
  170   HG13  VAL  22          3HG1      VAL  22  -3.244  -4.740   0.177
  171   HG21  VAL  22          3HG2      VAL  22  -1.220  -2.073  -1.287
  172   HG22  VAL  22          1HG2      VAL  22  -1.849  -2.030   0.359
  173   HG23  VAL  22          2HG2      VAL  22  -2.859  -2.634  -0.955
  174    H    VAL  23           H        VAL  23   2.068  -2.385  -0.056
  175    HA   VAL  23           HA       VAL  23   1.312  -0.678   2.215
  176    HB   VAL  23           HB       VAL  23   3.954  -0.865   0.755
  177   HG11  VAL  23          1HG1      VAL  23   4.842   0.489   2.582
  178   HG12  VAL  23          2HG1      VAL  23   3.222   0.633   3.264
  179   HG13  VAL  23          3HG1      VAL  23   3.583   1.348   1.693
  180   HG21  VAL  23          3HG2      VAL  23   2.931  -2.134   3.259
  181   HG22  VAL  23          1HG2      VAL  23   4.646  -1.771   3.076
  182   HG23  VAL  23          2HG2      VAL  23   3.846  -2.847   1.933
  183    H    ALA  24           H        ALA  24   0.727   1.404   1.926
  184    HA   ALA  24           HA       ALA  24   1.345   2.689  -0.662
  185    HB1  ALA  24           1HB      ALA  24  -1.019   2.565  -0.524
  186    HB2  ALA  24           2HB      ALA  24  -0.588   4.236  -0.145
  187    HB3  ALA  24           3HB      ALA  24  -1.023   3.112   1.146
  188    H    PHE  25           H        PHE  25   2.945   3.987  -0.494
  189    HA   PHE  25           HA       PHE  25   3.824   5.219   1.921
  190    HB2  PHE  25           1HB      PHE  25   4.445   5.763  -0.986
  191    HB3  PHE  25           2HB      PHE  25   5.314   6.490   0.366
  192    HD1  PHE  25           1HD      PHE  25   6.694   5.088   1.831
  193    HD2  PHE  25           2HD      PHE  25   4.856   3.530  -1.673
  194    HE1  PHE  25           1HE      PHE  25   8.191   3.134   1.908
  195    HE2  PHE  25           2HE      PHE  25   6.364   1.584  -1.608
  196    HZ   PHE  25           HZ       PHE  25   8.025   1.382   0.194
  197    H    TYR  26           H        TYR  26   2.756   6.883   2.902
  198    HA   TYR  26           HA       TYR  26   0.939   8.369   1.155
  199    HB2  TYR  26           1HB      TYR  26   0.194   6.420   2.970
  200    HB3  TYR  26           2HB      TYR  26  -0.177   7.945   3.788
  201    HD1  TYR  26           2HD      TYR  26  -0.299   6.548   0.400
  202    HD2  TYR  26           1HD      TYR  26  -2.304   8.795   3.384
  203    HE1  TYR  26           2HE      TYR  26  -2.155   6.935  -1.148
  204    HE2  TYR  26           1HE      TYR  26  -4.156   9.201   1.850
  205    HH   TYR  26           HH       TYR  26  -4.461   7.576  -1.164
  206    H    ALA  27           H        ALA  27   0.063  10.283   1.885
  207    HA   ALA  27           HA       ALA  27   1.166  11.558   4.242
  208    HB1  ALA  27           1HB      ALA  27   1.359  12.781   1.481
  209    HB2  ALA  27           2HB      ALA  27   2.711  12.230   2.469
  210    HB3  ALA  27           3HB      ALA  27   1.739  13.604   2.995
  211    H    THR  28           H        THR  28  -0.359  12.955   5.146
  212    HA   THR  28           HA       THR  28  -3.029  12.464   4.163
  213    HB   THR  28           HB       THR  28  -3.541  13.834   6.359
  214    HG1  THR  28           1HG      THR  28  -1.733  14.425   7.292
  215   HG21  THR  28          3HG2      THR  28  -3.377  11.741   7.635
  216   HG22  THR  28          1HG2      THR  28  -2.368  11.049   6.366
  217   HG23  THR  28          2HG2      THR  28  -4.048  11.468   6.028
  218    H    TRP  29           H        TRP  29  -0.852  14.881   3.534
  219    HA   TRP  29           HA       TRP  29  -2.742  17.074   3.714
  220    HB2  TRP  29           1HB      TRP  29  -0.753  18.420   2.856
  221    HB3  TRP  29           2HB      TRP  29  -0.605  17.697   4.451
  222    HD1  TRP  29           HD       TRP  29   0.248  16.411   0.879
  223    HE1  TRP  29           1HE      TRP  29   2.626  15.418   0.940
  224    HE3  TRP  29           3HE      TRP  29   1.351  17.271   5.789
  225    HZ2  TRP  29           2HZ      TRP  29   4.689  15.048   2.828
  226    HZ3  TRP  29           3HZ      TRP  29   3.547  16.570   6.646
  227    HH2  TRP  29           HH       TRP  29   5.180  15.486   5.195
  228    H    CYS  30           H        CYS  30  -3.946  15.556   1.968
  229    HA   CYS  30           HA       CYS  30  -3.718  17.054  -0.485
  230    HB2  CYS  30           1HB      CYS  30  -3.358  15.157  -1.957
  231    HB3  CYS  30           2HB      CYS  30  -2.025  15.319  -0.827
  232    H    GLY  31           H        GLY  31  -5.276  15.912  -2.213
  233    HA2  GLY  31           1HA      GLY  31  -7.866  15.631  -0.951
  234    HA3  GLY  31           2HA      GLY  31  -7.539  15.677  -2.674
  235    HA   PRO  32           HA       PRO  32  -7.517  11.265  -3.328
  236    HB2  PRO  32           1HB      PRO  32  -4.569  11.029  -2.878
  237    HB3  PRO  32           2HB      PRO  32  -5.565  10.363  -4.180
  238    HG2  PRO  32           1HG      PRO  32  -4.071  12.505  -4.620
  239    HG3  PRO  32           2HG      PRO  32  -5.712  12.404  -5.287
  240    HD2  PRO  32           1HD      PRO  32  -4.703  13.973  -2.959
  241    HD3  PRO  32           2HD      PRO  32  -5.951  14.392  -4.146
  242    H    CYS  33           H        CYS  33  -5.203  12.112  -0.769
  243    HA   CYS  33           HA       CYS  33  -5.369   9.739   0.669
  244    HB2  CYS  33           1HB      CYS  33  -4.762  11.391   2.647
  245    HB3  CYS  33           2HB      CYS  33  -3.602  11.021   1.376
  246    H    LYS  34           H        LYS  34  -7.436  12.563   0.728
  247    HA   LYS  34           HA       LYS  34  -8.901  11.931   3.042
  248    HB2  LYS  34           1HB      LYS  34  -9.803  13.395   0.555
  249    HB3  LYS  34           2HB      LYS  34 -10.656  13.384   2.092
  250    HG2  LYS  34           1HG      LYS  34  -8.832  14.539   3.163
  251    HG3  LYS  34           2HG      LYS  34  -7.874  14.458   1.683
  252    HD2  LYS  34           1HD      LYS  34  -8.875  16.663   1.940
  253    HD3  LYS  34           2HD      LYS  34  -9.547  15.837   0.533
  254    HE2  LYS  34           1HE      LYS  34 -11.283  16.981   1.821
  255    HE3  LYS  34           2HE      LYS  34 -11.529  15.237   1.812
  256    HZ1  LYS  34           3HZ      LYS  34 -10.574  15.117   4.019
  257    HZ2  LYS  34           1HZ      LYS  34 -11.873  16.199   4.009
  258    HZ3  LYS  34           2HZ      LYS  34 -10.286  16.782   4.023
  259    H    MET  35           H        MET  35  -9.390  11.077  -0.373
  260    HA   MET  35           HA       MET  35 -11.903   9.805   0.198
  261    HB2  MET  35           1HB      MET  35 -11.914   9.167  -2.169
  262    HB3  MET  35           2HB      MET  35 -11.644  10.885  -1.926
  263    HG2  MET  35           1HG      MET  35  -9.210  10.445  -2.236
  264    HG3  MET  35           2HG      MET  35  -9.633   8.793  -2.671
  265    HE1  MET  35           3HE      MET  35 -11.875   9.463  -5.879
  266    HE2  MET  35           1HE      MET  35 -12.448   9.429  -4.212
  267    HE3  MET  35           2HE      MET  35 -11.283   8.231  -4.768
  268    H    ILE  36           H        ILE  36  -8.660   8.487  -0.619
  269    HA   ILE  36           HA       ILE  36  -9.772   5.845  -0.602
  270    HB   ILE  36           HB       ILE  36  -7.985   5.315  -1.766
  271   HG12  ILE  36          1HG1      ILE  36  -7.295   4.685   0.681
  272   HG13  ILE  36          2HG1      ILE  36  -6.170   4.460  -0.631
  273   HG21  ILE  36          1HG2      ILE  36  -6.568   7.812  -0.892
  274   HG22  ILE  36          2HG2      ILE  36  -7.676   7.690  -2.257
  275   HG23  ILE  36          3HG2      ILE  36  -6.162   6.784  -2.269
  276   HD11  ILE  36          3HD1      ILE  36  -5.072   5.375   1.304
  277   HD12  ILE  36          1HD1      ILE  36  -6.209   6.723   1.346
  278   HD13  ILE  36          2HD1      ILE  36  -5.072   6.569   0.007
  279    H    ALA  37           H        ALA  37  -8.488   7.918   1.859
  280    HA   ALA  37           HA       ALA  37  -7.521   6.010   3.630
  281    HB1  ALA  37           1HB      ALA  37  -7.195   8.400   3.985
  282    HB2  ALA  37           2HB      ALA  37  -7.872   7.619   5.418
  283    HB3  ALA  37           3HB      ALA  37  -8.908   8.583   4.370
  284    HA   PRO  38           HA       PRO  38 -12.018   5.276   5.282
  285    HB2  PRO  38           1HB      PRO  38 -13.680   6.221   3.037
  286    HB3  PRO  38           2HB      PRO  38 -13.917   6.426   4.775
  287    HG2  PRO  38           1HG      PRO  38 -13.185   8.475   3.223
  288    HG3  PRO  38           2HG      PRO  38 -12.557   8.293   4.872
  289    HD2  PRO  38           1HD      PRO  38 -11.246   7.626   2.261
  290    HD3  PRO  38           2HD      PRO  38 -10.567   8.427   3.689
  291    H    MET  39           H        MET  39 -11.502   5.256   1.731
  292    HA   MET  39           HA       MET  39 -12.942   2.859   1.280
  293    HB2  MET  39           1HB      MET  39 -10.714   4.112  -0.314
  294    HB3  MET  39           2HB      MET  39 -11.640   2.725  -0.860
  295    HG2  MET  39           1HG      MET  39 -12.723   5.470  -0.275
  296    HG3  MET  39           2HG      MET  39 -12.463   4.763  -1.869
  297    HE1  MET  39           3HE      MET  39 -16.338   4.800  -1.757
  298    HE2  MET  39           1HE      MET  39 -14.899   5.159  -2.710
  299    HE3  MET  39           2HE      MET  39 -15.206   6.038  -1.213
  300    H    ILE  40           H        ILE  40  -9.366   3.247   1.386
  301    HA   ILE  40           HA       ILE  40  -8.747   0.536   1.373
  302    HB   ILE  40           HB       ILE  40  -7.272   2.874   2.622
  303   HG12  ILE  40          1HG1      ILE  40  -7.692   2.763   0.129
  304   HG13  ILE  40          2HG1      ILE  40  -6.027   2.963   0.660
  305   HG21  ILE  40          1HG2      ILE  40  -6.560   0.841   3.732
  306   HG22  ILE  40          2HG2      ILE  40  -5.294   1.423   2.651
  307   HG23  ILE  40          3HG2      ILE  40  -6.302   0.056   2.175
  308   HD11  ILE  40          3HD1      ILE  40  -6.449   1.393  -1.241
  309   HD12  ILE  40          1HD1      ILE  40  -7.180   0.308  -0.056
  310   HD13  ILE  40          2HD1      ILE  40  -5.480   0.777   0.109
  311    H    GLU  41           H        GLU  41  -9.697   2.633   4.042
  312    HA   GLU  41           HA       GLU  41  -9.247   0.892   6.184
  313    HB2  GLU  41           1HB      GLU  41  -9.893   3.246   6.457
  314    HB3  GLU  41           2HB      GLU  41 -11.481   2.900   5.791
  315    HG2  GLU  41           1HG      GLU  41 -11.614   3.078   8.182
  316    HG3  GLU  41           2HG      GLU  41 -11.937   1.417   7.690
  317    H    LYS  42           H        LYS  42 -12.139   1.255   4.097
  318    HA   LYS  42           HA       LYS  42 -13.646  -0.745   5.386
  319    HB2  LYS  42           1HB      LYS  42 -14.630   0.940   3.894
  320    HB3  LYS  42           2HB      LYS  42 -13.768   0.242   2.530
  321    HG2  LYS  42           1HG      LYS  42 -15.083  -1.930   3.381
  322    HG3  LYS  42           2HG      LYS  42 -16.207  -0.674   3.909
  323    HD2  LYS  42           1HD      LYS  42 -15.102  -0.994   1.128
  324    HD3  LYS  42           2HD      LYS  42 -16.718  -1.477   1.645
  325    HE2  LYS  42           1HE      LYS  42 -15.619   1.332   1.680
  326    HE3  LYS  42           2HE      LYS  42 -16.722   0.683   0.472
  327    HZ1  LYS  42           3HZ      LYS  42 -18.334   0.298   2.277
  328    HZ2  LYS  42           1HZ      LYS  42 -17.949   1.934   2.074
  329    HZ3  LYS  42           2HZ      LYS  42 -17.284   1.065   3.359
  330    H    PHE  43           H        PHE  43 -11.584  -0.820   2.533
  331    HA   PHE  43           HA       PHE  43 -11.959  -3.519   1.887
  332    HB2  PHE  43           1HB      PHE  43  -9.589  -1.754   1.282
  333    HB3  PHE  43           2HB      PHE  43  -9.977  -3.272   0.488
  334    HD1  PHE  43           2HD      PHE  43 -13.071  -1.941   0.991
  335    HD2  PHE  43           1HD      PHE  43  -9.560  -1.216  -1.306
  336    HE1  PHE  43           2HE      PHE  43 -14.407  -0.689  -0.657
  337    HE2  PHE  43           1HE      PHE  43 -10.891   0.048  -2.937
  338    HZ   PHE  43           HZ       PHE  43 -13.314   0.309  -2.618
  339    H    SER  44           H        SER  44 -10.209  -2.040   4.394
  340    HA   SER  44           HA       SER  44  -8.352  -4.232   4.756
  341    HB2  SER  44           1HB      SER  44  -7.250  -2.899   6.349
  342    HB3  SER  44           2HB      SER  44  -7.874  -1.715   5.202
  343    HG   SER  44           HG       SER  44  -9.636  -1.368   6.635
  344    H    GLU  45           H        GLU  45 -11.484  -3.311   5.636
  345    HA   GLU  45           HA       GLU  45 -11.617  -5.249   7.808
  346    HB2  GLU  45           1HB      GLU  45 -13.001  -3.163   7.824
  347    HB3  GLU  45           2HB      GLU  45 -13.870  -3.775   6.425
  348    HG2  GLU  45           1HG      GLU  45 -15.116  -4.139   8.482
  349    HG3  GLU  45           2HG      GLU  45 -14.671  -5.666   7.723
  350    H    GLN  46           H        GLN  46 -11.892  -5.130   4.395
  351    HA   GLN  46           HA       GLN  46 -13.050  -7.827   4.409
  352    HB2  GLN  46           1HB      GLN  46 -13.838  -7.085   2.010
  353    HB3  GLN  46           2HB      GLN  46 -14.792  -6.740   3.442
  354    HG2  GLN  46           1HG      GLN  46 -14.443  -4.533   3.303
  355    HG3  GLN  46           2HG      GLN  46 -12.799  -4.705   2.699
  356   HE21  GLN  46          1HE2      GLN  46 -13.606  -6.488   0.530
  357   HE22  GLN  46          2HE2      GLN  46 -14.403  -5.502  -0.640
  358    H    TYR  47           H        TYR  47 -10.169  -7.050   4.263
  359    HA   TYR  47           HA       TYR  47  -9.636  -8.555   1.784
  360    HB2  TYR  47           1HB      TYR  47  -7.325  -7.802   1.869
  361    HB3  TYR  47           2HB      TYR  47  -8.426  -6.438   1.877
  362    HD1  TYR  47           1HD      TYR  47  -8.741  -7.538   5.077
  363    HD2  TYR  47           2HD      TYR  47  -5.781  -5.749   2.595
  364    HE1  TYR  47           1HE      TYR  47  -7.575  -6.672   7.061
  365    HE2  TYR  47           2HE      TYR  47  -4.676  -4.908   4.509
  366    HH   TYR  47           HH       TYR  47  -5.338  -4.287   6.981
  367    HA   PRO  48           HA       PRO  48  -9.907 -11.657   5.058
  368    HB2  PRO  48           1HB      PRO  48  -9.508 -13.443   2.712
  369    HB3  PRO  48           2HB      PRO  48 -10.708 -13.531   4.004
  370    HG2  PRO  48           1HG      PRO  48 -11.379 -12.655   1.585
  371    HG3  PRO  48           2HG      PRO  48 -12.056 -11.914   3.046
  372    HD2  PRO  48           1HD      PRO  48  -9.947 -10.894   1.205
  373    HD3  PRO  48           2HD      PRO  48 -11.187 -10.003   2.111
  374    H    GLN  49           H        GLN  49  -7.491 -12.064   2.429
  375    HA   GLN  49           HA       GLN  49  -5.747 -13.240   4.489
  376    HB2  GLN  49           1HB      GLN  49  -4.649 -14.572   2.850
  377    HB3  GLN  49           2HB      GLN  49  -6.381 -14.816   2.703
  378    HG2  GLN  49           1HG      GLN  49  -6.489 -13.548   0.719
  379    HG3  GLN  49           2HG      GLN  49  -4.854 -12.920   0.949
  380   HE21  GLN  49          1HE2      GLN  49  -3.093 -14.274   0.585
  381   HE22  GLN  49          2HE2      GLN  49  -3.234 -15.717  -0.355
  382    H    ALA  50           H        ALA  50  -6.066 -10.354   3.202
  383    HA   ALA  50           HA       ALA  50  -3.249 -10.042   2.452
  384    HB1  ALA  50           1HB      ALA  50  -3.852  -8.111   1.212
  385    HB2  ALA  50           2HB      ALA  50  -5.468  -8.090   1.909
  386    HB3  ALA  50           3HB      ALA  50  -5.010  -9.371   0.791
  387    H    ASP  51           H        ASP  51  -2.275  -7.966   3.071
  388    HA   ASP  51           HA       ASP  51  -3.367  -6.896   5.570
  389    HB2  ASP  51           1HB      ASP  51  -1.223  -8.541   5.614
  390    HB3  ASP  51           2HB      ASP  51  -0.406  -6.991   5.366
  391    H    PHE  52           H        PHE  52  -3.595  -4.808   5.538
  392    HA   PHE  52           HA       PHE  52  -2.504  -3.279   3.327
  393    HB2  PHE  52           1HB      PHE  52  -4.764  -2.940   5.200
  394    HB3  PHE  52           2HB      PHE  52  -3.947  -1.463   4.717
  395    HD1  PHE  52           1HD      PHE  52  -3.324  -1.974   1.898
  396    HD2  PHE  52           2HD      PHE  52  -6.771  -2.912   4.187
  397    HE1  PHE  52           1HE      PHE  52  -4.709  -1.847  -0.136
  398    HE2  PHE  52           2HE      PHE  52  -8.159  -2.792   2.188
  399    HZ   PHE  52           HZ       PHE  52  -7.136  -2.259   0.005
  400    H    TYR  53           H        TYR  53  -0.772  -1.904   3.621
  401    HA   TYR  53           HA       TYR  53  -0.528  -0.738   6.311
  402    HB2  TYR  53           1HB      TYR  53   1.873  -1.279   4.563
  403    HB3  TYR  53           2HB      TYR  53   1.842  -0.832   6.267
  404    HD1  TYR  53           1HD      TYR  53   1.037  -3.615   3.924
  405    HD2  TYR  53           2HD      TYR  53   1.843  -2.473   7.933
  406    HE1  TYR  53           1HE      TYR  53   1.216  -5.982   4.562
  407    HE2  TYR  53           2HE      TYR  53   2.030  -4.833   8.580
  408    HH   TYR  53           HH       TYR  53   2.220  -7.351   6.263
  409    H    LYS  54           H        LYS  54  -0.334   1.428   6.351
  410    HA   LYS  54           HA       LYS  54   0.117   2.820   3.781
  411    HB2  LYS  54           1HB      LYS  54  -2.189   2.962   5.513
  412    HB3  LYS  54           2HB      LYS  54  -1.409   4.531   5.424
  413    HG2  LYS  54           1HG      LYS  54  -2.493   4.886   3.525
  414    HG3  LYS  54           2HG      LYS  54  -1.512   3.624   2.791
  415    HD2  LYS  54           1HD      LYS  54  -3.904   3.194   2.403
  416    HD3  LYS  54           2HD      LYS  54  -3.181   1.951   3.436
  417    HE2  LYS  54           1HE      LYS  54  -5.439   2.833   4.159
  418    HE3  LYS  54           2HE      LYS  54  -4.177   2.818   5.382
  419    HZ1  LYS  54           3HZ      LYS  54  -5.489   4.868   5.376
  420    HZ2  LYS  54           1HZ      LYS  54  -4.965   5.206   3.804
  421    HZ3  LYS  54           2HZ      LYS  54  -3.853   5.162   5.078
  422    H    LEU  55           H        LEU  55   1.845   4.182   3.855
  423    HA   LEU  55           HA       LEU  55   3.029   4.491   6.538
  424    HB2  LEU  55           1HB      LEU  55   4.423   4.983   3.938
  425    HB3  LEU  55           2HB      LEU  55   5.127   4.756   5.525
  426    HG   LEU  55           HG       LEU  55   3.969   2.716   3.690
  427   HD11  LEU  55          1HD1      LEU  55   6.424   2.826   5.397
  428   HD12  LEU  55          2HD1      LEU  55   6.357   3.231   3.681
  429   HD13  LEU  55          3HD1      LEU  55   6.033   1.577   4.212
  430   HD21  LEU  55          3HD2      LEU  55   4.287   2.439   6.660
  431   HD22  LEU  55          1HD2      LEU  55   4.065   1.090   5.549
  432   HD23  LEU  55          2HD2      LEU  55   2.791   2.295   5.739
  433    H    ASP  56           H        ASP  56   4.266   6.539   6.955
  434    HA   ASP  56           HA       ASP  56   3.030   8.827   5.599
  435    HB2  ASP  56           1HB      ASP  56   4.039  10.165   7.463
  436    HB3  ASP  56           2HB      ASP  56   2.782   9.047   7.961
  437    H    VAL  57           H        VAL  57   4.089   9.320   3.898
  438    HA   VAL  57           HA       VAL  57   6.667   8.470   3.251
  439    HB   VAL  57           HB       VAL  57   4.542   9.284   1.871
  440   HG11  VAL  57          1HG1      VAL  57   4.801  11.651   2.519
  441   HG12  VAL  57          2HG1      VAL  57   4.877  11.405   0.773
  442   HG13  VAL  57          3HG1      VAL  57   6.358  11.683   1.688
  443   HG21  VAL  57          3HG2      VAL  57   5.941   9.276  -0.111
  444   HG22  VAL  57          1HG2      VAL  57   6.400   8.007   1.027
  445   HG23  VAL  57          2HG2      VAL  57   7.374   9.475   0.898
  446    H    ASP  58           H        ASP  58   5.720  11.073   5.188
  447    HA   ASP  58           HA       ASP  58   7.797  12.903   4.483
  448    HB2  ASP  58           1HB      ASP  58   5.693  13.583   5.612
  449    HB3  ASP  58           2HB      ASP  58   6.227  12.735   7.061
  450    H    GLU  59           H        GLU  59   7.410  10.309   6.808
  451    HA   GLU  59           HA       GLU  59  10.181  10.604   7.689
  452    HB2  GLU  59           1HB      GLU  59   7.963   8.732   8.524
  453    HB3  GLU  59           2HB      GLU  59   9.609   8.602   9.125
  454    HG2  GLU  59           1HG      GLU  59   7.880  11.041   9.433
  455    HG3  GLU  59           2HG      GLU  59   8.055   9.781  10.651
  456    H    LEU  60           H        LEU  60   8.091   8.502   5.809
  457    HA   LEU  60           HA       LEU  60  10.351   6.757   5.175
  458    HB2  LEU  60           1HB      LEU  60   7.376   6.478   4.740
  459    HB3  LEU  60           2HB      LEU  60   8.539   5.430   3.943
  460    HG   LEU  60           HG       LEU  60   7.706   4.265   5.843
  461   HD11  LEU  60          1HD1      LEU  60  10.437   5.339   6.513
  462   HD12  LEU  60          2HD1      LEU  60  10.094   3.989   5.427
  463   HD13  LEU  60          3HD1      LEU  60   9.717   3.861   7.148
  464   HD21  LEU  60          3HD2      LEU  60   7.840   5.126   8.124
  465   HD22  LEU  60          1HD2      LEU  60   6.822   6.146   7.106
  466   HD23  LEU  60          2HD2      LEU  60   8.460   6.659   7.510
  467    H    GLY  61           H        GLY  61  10.722   9.210   4.110
  468    HA2  GLY  61           1HA      GLY  61   9.671   9.389   1.439
  469    HA3  GLY  61           2HA      GLY  61  10.931  10.396   2.136
  470    H    ASP  62           H        ASP  62  12.681   8.321   2.903
  471    HA   ASP  62           HA       ASP  62  14.148   8.009   0.516
  472    HB2  ASP  62           1HB      ASP  62  15.609   6.514   1.930
  473    HB3  ASP  62           2HB      ASP  62  15.334   8.121   2.594
  474    H    VAL  63           H        VAL  63  12.226   5.706   2.417
  475    HA   VAL  63           HA       VAL  63  12.731   3.499   0.721
  476    HB   VAL  63           HB       VAL  63  11.925   3.094   2.964
  477   HG11  VAL  63          1HG1      VAL  63   9.612   3.593   3.596
  478   HG12  VAL  63          2HG1      VAL  63   9.467   4.575   2.133
  479   HG13  VAL  63          3HG1      VAL  63  10.626   5.021   3.385
  480   HG21  VAL  63          3HG2      VAL  63  11.354   1.418   1.315
  481   HG22  VAL  63          1HG2      VAL  63   9.882   2.306   0.912
  482   HG23  VAL  63          2HG2      VAL  63  10.061   1.569   2.506
  483    H    ALA  64           H        ALA  64  10.210   5.946   0.805
  484    HA   ALA  64           HA       ALA  64   8.568   5.008  -1.242
  485    HB1  ALA  64           1HB      ALA  64   7.786   7.279  -1.447
  486    HB2  ALA  64           2HB      ALA  64   9.213   7.880  -0.605
  487    HB3  ALA  64           3HB      ALA  64   8.035   6.889   0.254
  488    H    GLN  65           H        GLN  65  11.415   7.126  -1.409
  489    HA   GLN  65           HA       GLN  65  11.365   7.533  -4.188
  490    HB2  GLN  65           1HB      GLN  65  13.646   7.605  -2.205
  491    HB3  GLN  65           2HB      GLN  65  13.793   8.121  -3.884
  492    HG2  GLN  65           1HG      GLN  65  12.165   9.863  -3.534
  493    HG3  GLN  65           2HG      GLN  65  11.871   9.300  -1.890
  494   HE21  GLN  65          1HE2      GLN  65  12.450  11.232  -0.955
  495   HE22  GLN  65          2HE2      GLN  65  14.085  11.792  -0.902
  496    H    LYS  66           H        LYS  66  12.716   4.972  -2.216
  497    HA   LYS  66           HA       LYS  66  14.187   3.750  -4.291
  498    HB2  LYS  66           1HB      LYS  66  15.054   2.600  -2.607
  499    HB3  LYS  66           2HB      LYS  66  13.966   3.468  -1.536
  500    HG2  LYS  66           1HG      LYS  66  12.276   1.678  -2.032
  501    HG3  LYS  66           2HG      LYS  66  13.591   0.764  -2.767
  502    HD2  LYS  66           1HD      LYS  66  14.844   0.839  -0.686
  503    HD3  LYS  66           2HD      LYS  66  13.582   1.812   0.064
  504    HE2  LYS  66           1HE      LYS  66  13.279  -0.412   0.820
  505    HE3  LYS  66           2HE      LYS  66  12.006  -0.095  -0.354
  506    HZ1  LYS  66           3HZ      LYS  66  13.087  -1.402  -1.958
  507    HZ2  LYS  66           1HZ      LYS  66  13.170  -2.300  -0.523
  508    HZ3  LYS  66           2HZ      LYS  66  14.532  -1.458  -1.081
  509    H    ASN  67           H        ASN  67  10.876   3.587  -3.290
  510    HA   ASN  67           HA       ASN  67  10.385   1.361  -5.127
  511    HB2  ASN  67           1HB      ASN  67   8.669   2.713  -3.052
  512    HB3  ASN  67           2HB      ASN  67   8.009   1.576  -4.222
  513   HD21  ASN  67          1HD2      ASN  67  10.091   1.974  -1.464
  514   HD22  ASN  67          2HD2      ASN  67  10.210   0.292  -1.075
  515    H    GLU  68           H        GLU  68  10.892   4.434  -5.517
  516    HA   GLU  68           HA       GLU  68  10.433   5.986  -7.093
  517    HB2  GLU  68           1HB      GLU  68   9.068   3.717  -8.541
  518    HB3  GLU  68           2HB      GLU  68   9.653   5.214  -9.255
  519    HG2  GLU  68           1HG      GLU  68  11.949   4.576  -8.583
  520    HG3  GLU  68           2HG      GLU  68  11.313   3.031  -8.020
  521    H    VAL  69           H        VAL  69   8.725   6.051  -4.985
  522    HA   VAL  69           HA       VAL  69   5.982   6.112  -5.797
  523    HB   VAL  69           HB       VAL  69   7.386   7.199  -3.360
  524   HG11  VAL  69          1HG1      VAL  69   5.163   7.409  -2.345
  525   HG12  VAL  69          2HG1      VAL  69   4.424   6.997  -3.894
  526   HG13  VAL  69          3HG1      VAL  69   5.355   8.486  -3.729
  527   HG21  VAL  69          3HG2      VAL  69   5.674   4.761  -3.794
  528   HG22  VAL  69          1HG2      VAL  69   6.366   5.271  -2.254
  529   HG23  VAL  69          2HG2      VAL  69   7.424   4.780  -3.577
  530    H    SER  70           H        SER  70   5.107   7.607  -7.045
  531    HA   SER  70           HA       SER  70   6.026  10.375  -6.791
  532    HB2  SER  70           1HB      SER  70   5.415   9.026  -9.382
  533    HB3  SER  70           2HB      SER  70   5.981  10.674  -9.179
  534    HG   SER  70           HG       SER  70   7.595   8.856  -7.950
  535    H    ALA  71           H        ALA  71   3.500   8.351  -6.436
  536    HA   ALA  71           HA       ALA  71   1.560  10.459  -7.072
  537    HB1  ALA  71           1HB      ALA  71   1.183   7.535  -7.703
  538    HB2  ALA  71           2HB      ALA  71   1.482   8.815  -8.880
  539    HB3  ALA  71           3HB      ALA  71  -0.010   8.811  -7.940
  540    H    MET  72           H        MET  72  -0.553  10.101  -5.972
  541    HA   MET  72           HA       MET  72  -0.197   8.727  -3.385
  542    HB2  MET  72           1HB      MET  72  -1.745  11.279  -3.865
  543    HB3  MET  72           2HB      MET  72  -1.472  10.497  -2.317
  544    HG2  MET  72           1HG      MET  72   0.857  11.029  -2.385
  545    HG3  MET  72           2HG      MET  72   0.717  11.633  -4.036
  546    HE1  MET  72           3HE      MET  72  -0.797  13.708  -4.686
  547    HE2  MET  72           1HE      MET  72  -1.507  14.827  -3.523
  548    HE3  MET  72           2HE      MET  72  -2.181  13.210  -3.712
  549    HA   PRO  73           HA       PRO  73  -0.713   7.115  -2.518
  550    HB2  PRO  73           1HB      PRO  73  -1.768   4.510  -3.232
  551    HB3  PRO  73           2HB      PRO  73  -1.726   5.275  -1.646
  552    HG2  PRO  73           1HG      PRO  73  -4.021   4.816  -3.035
  553    HG3  PRO  73           2HG      PRO  73  -3.834   6.144  -1.877
  554    HD2  PRO  73           1HD      PRO  73  -3.705   6.198  -4.861
  555    HD3  PRO  73           2HD      PRO  73  -4.427   7.371  -3.741
  556    H    THR  74           H        THR  74   1.049   5.661  -2.953
  557    HA   THR  74           HA       THR  74   1.035   4.469  -5.626
  558    HB   THR  74           HB       THR  74   3.439   4.944  -3.832
  559    HG1  THR  74           1HG      THR  74   2.428   6.831  -4.965
  560   HG21  THR  74          3HG2      THR  74   4.752   4.242  -5.785
  561   HG22  THR  74          1HG2      THR  74   3.261   3.914  -6.668
  562   HG23  THR  74          2HG2      THR  74   3.670   2.958  -5.245
  563    H    LEU  75           H        LEU  75   0.446   2.412  -5.504
  564    HA   LEU  75           HA       LEU  75   0.571   1.146  -2.860
  565    HB2  LEU  75           1HB      LEU  75  -1.637   1.568  -4.768
  566    HB3  LEU  75           2HB      LEU  75  -1.554  -0.007  -4.006
  567    HG   LEU  75           HG       LEU  75  -1.460   2.518  -2.376
  568   HD11  LEU  75          1HD1      LEU  75  -3.502   2.598  -3.740
  569   HD12  LEU  75          2HD1      LEU  75  -3.840   2.385  -2.022
  570   HD13  LEU  75          3HD1      LEU  75  -3.954   1.011  -3.119
  571   HD21  LEU  75          3HD2      LEU  75  -2.279  -0.313  -1.765
  572   HD22  LEU  75          1HD2      LEU  75  -2.334   1.032  -0.628
  573   HD23  LEU  75          2HD2      LEU  75  -0.785   0.478  -1.264
  574    H    LEU  76           H        LEU  76   1.978  -0.395  -2.953
  575    HA   LEU  76           HA       LEU  76   1.991  -2.137  -5.320
  576    HB2  LEU  76           1HB      LEU  76   4.458  -1.672  -3.674
  577    HB3  LEU  76           2HB      LEU  76   4.333  -2.189  -5.343
  578    HG   LEU  76           HG       LEU  76   3.660   0.612  -4.452
  579   HD11  LEU  76          1HD1      LEU  76   5.982   0.167  -3.891
  580   HD12  LEU  76          2HD1      LEU  76   5.874   1.256  -5.275
  581   HD13  LEU  76          3HD1      LEU  76   6.272  -0.443  -5.519
  582   HD21  LEU  76          3HD2      LEU  76   3.966   1.131  -6.814
  583   HD22  LEU  76          1HD2      LEU  76   2.715  -0.092  -6.591
  584   HD23  LEU  76          2HD2      LEU  76   4.322  -0.564  -7.144
  585    H    LEU  77           H        LEU  77   1.151  -4.000  -4.673
  586    HA   LEU  77           HA       LEU  77   1.742  -4.894  -1.967
  587    HB2  LEU  77           1HB      LEU  77   0.308  -6.897  -3.266
  588    HB3  LEU  77           2HB      LEU  77  -0.281  -5.765  -2.073
  589    HG   LEU  77           HG       LEU  77  -0.299  -5.193  -5.035
  590   HD11  LEU  77          1HD1      LEU  77  -2.425  -6.352  -3.228
  591   HD12  LEU  77          2HD1      LEU  77  -1.625  -7.171  -4.575
  592   HD13  LEU  77          3HD1      LEU  77  -2.695  -5.805  -4.883
  593   HD21  LEU  77          3HD2      LEU  77  -1.762  -3.419  -4.537
  594   HD22  LEU  77          1HD2      LEU  77  -0.471  -3.286  -3.346
  595   HD23  LEU  77          2HD2      LEU  77  -2.027  -3.983  -2.890
  596    H    PHE  78           H        PHE  78   3.123  -6.397  -1.475
  597    HA   PHE  78           HA       PHE  78   4.589  -7.594  -3.700
  598    HB2  PHE  78           1HB      PHE  78   5.437  -6.606  -1.009
  599    HB3  PHE  78           2HB      PHE  78   6.400  -7.819  -1.832
  600    HD1  PHE  78           1HD      PHE  78   5.191  -4.354  -1.928
  601    HD2  PHE  78           2HD      PHE  78   7.731  -7.245  -3.746
  602    HE1  PHE  78           1HE      PHE  78   6.316  -2.568  -3.193
  603    HE2  PHE  78           2HE      PHE  78   8.856  -5.464  -5.015
  604    HZ   PHE  78           HZ       PHE  78   8.150  -3.122  -4.738
  605    H    LYS  79           H        LYS  79   5.394  -9.726  -3.472
  606    HA   LYS  79           HA       LYS  79   4.176 -11.313  -1.339
  607    HB2  LYS  79           1HB      LYS  79   2.686 -11.523  -3.193
  608    HB3  LYS  79           2HB      LYS  79   4.012 -11.804  -4.310
  609    HG2  LYS  79           1HG      LYS  79   4.345 -13.981  -3.495
  610    HG3  LYS  79           2HG      LYS  79   3.408 -13.671  -2.034
  611    HD2  LYS  79           1HD      LYS  79   2.086 -15.029  -3.493
  612    HD3  LYS  79           2HD      LYS  79   1.385 -13.414  -3.460
  613    HE2  LYS  79           1HE      LYS  79   1.354 -14.122  -5.722
  614    HE3  LYS  79           2HE      LYS  79   2.650 -12.939  -5.582
  615    HZ1  LYS  79           3HZ      LYS  79   3.078 -15.872  -5.494
  616    HZ2  LYS  79           1HZ      LYS  79   4.265 -14.670  -5.586
  617    HZ3  LYS  79           2HZ      LYS  79   3.229 -14.939  -6.892
  618    H    ASN  80           H        ASN  80   5.763 -12.234  -0.319
  619    HA   ASN  80           HA       ASN  80   7.859 -12.932   0.230
  620    HB2  ASN  80           1HB      ASN  80   8.413 -14.782  -1.851
  621    HB3  ASN  80           2HB      ASN  80   7.818 -15.110  -0.232
  622   HD21  ASN  80          1HD2      ASN  80   6.997 -14.742  -3.567
  623   HD22  ASN  80          2HD2      ASN  80   5.384 -15.347  -3.453
  624    H    GLY  81           H        GLY  81   8.116 -10.580  -1.022
  625    HA2  GLY  81           1HA      GLY  81   9.802  -9.245  -1.813
  626    HA3  GLY  81           2HA      GLY  81  10.841 -10.658  -1.788
  627    H    LYS  82           H        LYS  82   8.106 -11.249  -3.673
  628    HA   LYS  82           HA       LYS  82   9.689 -10.714  -6.087
  629    HB2  LYS  82           1HB      LYS  82   7.724 -12.919  -5.464
  630    HB3  LYS  82           2HB      LYS  82   8.441 -12.649  -7.040
  631    HG2  LYS  82           1HG      LYS  82  10.648 -13.068  -6.158
  632    HG3  LYS  82           2HG      LYS  82   9.988 -13.233  -4.531
  633    HD2  LYS  82           1HD      LYS  82   8.680 -15.178  -5.287
  634    HD3  LYS  82           2HD      LYS  82   9.404 -15.020  -6.889
  635    HE2  LYS  82           1HE      LYS  82  10.539 -16.735  -5.577
  636    HE3  LYS  82           2HE      LYS  82  11.619 -15.389  -5.936
  637    HZ1  LYS  82           3HZ      LYS  82  11.205 -14.530  -3.701
  638    HZ2  LYS  82           1HZ      LYS  82  11.853 -16.091  -3.649
  639    HZ3  LYS  82           2HZ      LYS  82  10.205 -15.851  -3.364
  640    H    GLU  83           H        GLU  83   7.350  -9.392  -4.457
  641    HA   GLU  83           HA       GLU  83   5.727  -7.902  -4.922
  642    HB2  GLU  83           1HB      GLU  83   7.400  -7.293  -6.749
  643    HB3  GLU  83           2HB      GLU  83   6.390  -8.224  -7.841
  644    HG2  GLU  83           1HG      GLU  83   4.517  -6.723  -7.389
  645    HG3  GLU  83           2HG      GLU  83   5.532  -5.793  -6.285
  646    H    VAL  84           H        VAL  84   3.580  -7.655  -6.156
  647    HA   VAL  84           HA       VAL  84   2.673 -10.092  -7.431
  648    HB   VAL  84           HB       VAL  84   2.106 -10.070  -4.902
  649   HG11  VAL  84          1HG1      VAL  84  -0.145  -9.076  -4.462
  650   HG12  VAL  84          2HG1      VAL  84   0.030  -8.184  -5.973
  651   HG13  VAL  84          3HG1      VAL  84   1.165  -7.907  -4.652
  652   HG21  VAL  84          3HG2      VAL  84   0.017 -10.642  -6.979
  653   HG22  VAL  84          1HG2      VAL  84   0.030 -11.275  -5.332
  654   HG23  VAL  84          2HG2      VAL  84   1.306 -11.726  -6.464
  655    H    ALA  85           H        ALA  85   2.225  -6.707  -6.665
  656    HA   ALA  85           HA       ALA  85   1.122  -6.235  -9.298
  657    HB1  ALA  85           1HB      ALA  85  -0.529  -5.435  -6.914
  658    HB2  ALA  85           2HB      ALA  85  -0.893  -6.810  -7.956
  659    HB3  ALA  85           3HB      ALA  85  -0.913  -5.170  -8.613
  660    H    LYS  86           H        LYS  86   0.871  -3.943  -9.761
  661    HA   LYS  86           HA       LYS  86   2.154  -2.161  -7.864
  662    HB2  LYS  86           1HB      LYS  86   3.998  -2.964  -9.241
  663    HB3  LYS  86           2HB      LYS  86   3.114  -2.577 -10.706
  664    HG2  LYS  86           1HG      LYS  86   3.572  -0.315  -8.885
  665    HG3  LYS  86           2HG      LYS  86   5.019  -1.012  -9.611
  666    HD2  LYS  86           1HD      LYS  86   3.968  -0.757 -11.838
  667    HD3  LYS  86           2HD      LYS  86   2.591   0.032 -11.067
  668    HE2  LYS  86           1HE      LYS  86   4.085   1.704 -11.964
  669    HE3  LYS  86           2HE      LYS  86   4.111   1.778 -10.203
  670    HZ1  LYS  86           3HZ      LYS  86   6.192   0.573 -10.204
  671    HZ2  LYS  86           1HZ      LYS  86   6.327   1.948 -11.179
  672    HZ3  LYS  86           2HZ      LYS  86   6.150   0.424 -11.889
  673    H    VAL  87           H        VAL  87   0.575  -0.720  -7.555
  674    HA   VAL  87           HA       VAL  87  -0.622   0.528  -9.951
  675    HB   VAL  87           HB       VAL  87  -1.941   0.526  -7.232
  676   HG11  VAL  87          1HG1      VAL  87  -2.974   1.018 -10.028
  677   HG12  VAL  87          2HG1      VAL  87  -2.661   2.243  -8.796
  678   HG13  VAL  87          3HG1      VAL  87  -3.947   1.058  -8.557
  679   HG21  VAL  87          3HG2      VAL  87  -1.699  -1.817  -7.956
  680   HG22  VAL  87          1HG2      VAL  87  -2.512  -1.421  -9.470
  681   HG23  VAL  87          2HG2      VAL  87  -3.384  -1.291  -7.938
  682    H    VAL  88           H        VAL  88  -0.834   2.777  -9.932
  683    HA   VAL  88           HA       VAL  88   0.434   4.264  -7.815
  684    HB   VAL  88           HB       VAL  88   2.374   3.370  -8.845
  685   HG11  VAL  88          1HG1      VAL  88   1.331   2.652 -10.930
  686   HG12  VAL  88          2HG1      VAL  88   2.859   3.502 -11.215
  687   HG13  VAL  88          3HG1      VAL  88   1.325   4.327 -11.499
  688   HG21  VAL  88          3HG2      VAL  88   3.541   5.354  -9.684
  689   HG22  VAL  88          1HG2      VAL  88   2.584   5.713  -8.247
  690   HG23  VAL  88          2HG2      VAL  88   1.995   6.192  -9.840
  691    H    GLY  89           H        GLY  89  -1.663   5.298  -7.913
  692    HA2  GLY  89           1HA      GLY  89  -1.634   7.819  -8.851
  693    HA3  GLY  89           2HA      GLY  89  -2.222   6.935 -10.246
  694    H    ALA  90           H        ALA  90  -2.883   7.678  -6.860
  695    HA   ALA  90           HA       ALA  90  -4.813   7.762  -5.641
  696    HB1  ALA  90           1HB      ALA  90  -5.897   8.861  -8.229
  697    HB2  ALA  90           2HB      ALA  90  -4.946   9.772  -7.057
  698    HB3  ALA  90           3HB      ALA  90  -6.535   9.149  -6.608
  699    H    ASN  91           H        ASN  91  -5.009   5.395  -5.512
  700    HA   ASN  91           HA       ASN  91  -7.138   4.372  -7.248
  701    HB2  ASN  91           1HB      ASN  91  -6.018   2.174  -7.244
  702    HB3  ASN  91           2HB      ASN  91  -5.064   3.428  -8.024
  703   HD21  ASN  91          1HD2      ASN  91  -4.541   0.804  -6.591
  704   HD22  ASN  91          2HD2      ASN  91  -3.245   1.166  -5.513
  705    HA   PRO  92           HA       PRO  92  -8.587   3.121  -3.054
  706    HB2  PRO  92           1HB      PRO  92 -11.092   4.384  -3.870
  707    HB3  PRO  92           2HB      PRO  92 -10.144   4.651  -2.407
  708    HG2  PRO  92           1HG      PRO  92 -10.387   6.506  -4.373
  709    HG3  PRO  92           2HG      PRO  92  -8.957   6.374  -3.335
  710    HD2  PRO  92           1HD      PRO  92  -9.363   5.415  -6.143
  711    HD3  PRO  92           2HD      PRO  92  -7.932   6.165  -5.407
  712    H    ALA  93           H        ALA  93 -10.046   3.401  -6.279
  713    HA   ALA  93           HA       ALA  93 -11.620   0.993  -5.887
  714    HB1  ALA  93           1HB      ALA  93 -12.517   1.436  -8.099
  715    HB2  ALA  93           2HB      ALA  93 -11.329   2.713  -8.348
  716    HB3  ALA  93           3HB      ALA  93 -12.576   2.898  -7.115
  717    H    ALA  94           H        ALA  94  -8.855   2.078  -7.808
  718    HA   ALA  94           HA       ALA  94  -8.535  -0.435  -9.131
  719    HB1  ALA  94           1HB      ALA  94  -7.756   1.574 -10.211
  720    HB2  ALA  94           2HB      ALA  94  -6.407   0.470  -9.944
  721    HB3  ALA  94           3HB      ALA  94  -6.619   1.876  -8.903
  722    H    ILE  95           H        ILE  95  -7.520   0.758  -6.011
  723    HA   ILE  95           HA       ILE  95  -5.451  -1.129  -5.633
  724    HB   ILE  95           HB       ILE  95  -6.105   0.686  -3.934
  725   HG12  ILE  95          1HG1      ILE  95  -5.065  -0.514  -2.159
  726   HG13  ILE  95          2HG1      ILE  95  -5.734  -2.056  -2.693
  727   HG21  ILE  95          1HG2      ILE  95  -8.000  -1.473  -3.017
  728   HG22  ILE  95          2HG2      ILE  95  -8.474   0.071  -3.741
  729   HG23  ILE  95          3HG2      ILE  95  -7.653   0.047  -2.181
  730   HD11  ILE  95          3HD1      ILE  95  -3.284  -1.736  -3.078
  731   HD12  ILE  95          1HD1      ILE  95  -3.693  -0.501  -4.267
  732   HD13  ILE  95          2HD1      ILE  95  -4.217  -2.167  -4.509
  733    H    LYS  96           H        LYS  96  -8.932  -1.280  -5.463
  734    HA   LYS  96           HA       LYS  96  -9.163  -3.833  -4.383
  735    HB2  LYS  96           1HB      LYS  96 -10.923  -2.127  -6.046
  736    HB3  LYS  96           2HB      LYS  96 -11.297  -3.846  -6.012
  737    HG2  LYS  96           1HG      LYS  96 -11.053  -2.044  -3.617
  738    HG3  LYS  96           2HG      LYS  96 -12.556  -2.635  -4.326
  739    HD2  LYS  96           1HD      LYS  96 -10.440  -4.563  -3.407
  740    HD3  LYS  96           2HD      LYS  96 -11.558  -3.836  -2.251
  741    HE2  LYS  96           1HE      LYS  96 -12.277  -6.068  -3.107
  742    HE3  LYS  96           2HE      LYS  96 -13.454  -4.781  -3.341
  743    HZ1  LYS  96           3HZ      LYS  96 -13.183  -6.278  -5.272
  744    HZ2  LYS  96           1HZ      LYS  96 -11.593  -5.734  -5.454
  745    HZ3  LYS  96           2HZ      LYS  96 -12.886  -4.658  -5.642
  746    H    GLN  97           H        GLN  97  -8.524  -2.788  -7.658
  747    HA   GLN  97           HA       GLN  97  -8.626  -5.235  -8.977
  748    HB2  GLN  97           1HB      GLN  97  -8.344  -3.129 -10.162
  749    HB3  GLN  97           2HB      GLN  97  -6.795  -2.855  -9.390
  750    HG2  GLN  97           1HG      GLN  97  -7.100  -5.323 -11.009
  751    HG3  GLN  97           2HG      GLN  97  -7.025  -3.786 -11.864
  752   HE21  GLN  97          1HE2      GLN  97  -5.264  -6.142 -10.058
  753   HE22  GLN  97          2HE2      GLN  97  -3.700  -5.422 -10.243
  754    H    ALA  98           H        ALA  98  -5.839  -3.672  -7.401
  755    HA   ALA  98           HA       ALA  98  -4.182  -5.969  -7.701
  756    HB1  ALA  98           1HB      ALA  98  -2.533  -4.738  -6.398
  757    HB2  ALA  98           2HB      ALA  98  -3.779  -3.611  -5.857
  758    HB3  ALA  98           3HB      ALA  98  -3.304  -3.645  -7.551
  759    H    ILE  99           H        ILE  99  -5.962  -4.615  -5.082
  760    HA   ILE  99           HA       ILE  99  -4.964  -6.201  -3.015
  761    HB   ILE  99           HB       ILE  99  -6.638  -4.012  -3.189
  762   HG12  ILE  99          1HG1      ILE  99  -5.054  -4.300  -1.443
  763   HG13  ILE  99          2HG1      ILE  99  -6.638  -4.128  -0.694
  764   HG21  ILE  99          1HG2      ILE  99  -8.577  -5.605  -3.400
  765   HG22  ILE  99          2HG2      ILE  99  -8.670  -4.344  -2.169
  766   HG23  ILE  99          3HG2      ILE  99  -8.276  -6.007  -1.706
  767   HD11  ILE  99          3HD1      ILE  99  -5.019  -6.632  -1.017
  768   HD12  ILE  99          1HD1      ILE  99  -6.746  -6.659  -0.656
  769   HD13  ILE  99          2HD1      ILE  99  -5.616  -5.884   0.479
  770    H    ALA 100           H        ALA 100  -7.861  -6.598  -4.991
  771    HA   ALA 100           HA       ALA 100  -8.642  -8.867  -3.381
  772    HB1  ALA 100           1HB      ALA 100 -10.734  -8.821  -4.606
  773    HB2  ALA 100           2HB      ALA 100 -10.083  -7.610  -5.710
  774    HB3  ALA 100           3HB      ALA 100 -10.333  -7.210  -4.011
  775    H    ALA 101           H        ALA 101  -7.418  -8.181  -6.603
  776    HA   ALA 101           HA       ALA 101  -7.994 -10.828  -7.567
  777    HB1  ALA 101           1HB      ALA 101  -6.300  -8.665  -8.797
  778    HB2  ALA 101           2HB      ALA 101  -8.020  -8.927  -9.089
  779    HB3  ALA 101           3HB      ALA 101  -6.845 -10.140  -9.596
  780    H    ASN 102           H        ASN 102  -5.199  -9.169  -6.187
  781    HA   ASN 102           HA       ASN 102  -3.497 -11.435  -6.910
  782    HB2  ASN 102           1HB      ASN 102  -2.861  -8.898  -5.419
  783    HB3  ASN 102           2HB      ASN 102  -1.688 -10.167  -5.753
  784   HD21  ASN 102          1HD2      ASN 102  -3.442  -7.540  -6.968
  785   HD22  ASN 102          2HD2      ASN 102  -2.759  -7.508  -8.565
  786    H    ALA 103           H        ALA 103  -4.331  -9.819  -3.843
  787    HA   ALA 103           HA       ALA 103  -3.365 -11.604  -2.028
  788    HB1  ALA 103           1HB      ALA 103  -6.100 -10.368  -1.762
  789    HB2  ALA 103           2HB      ALA 103  -4.602  -9.473  -1.511
  790    HB3  ALA 103           3HB      ALA 103  -5.002 -10.845  -0.468
  Start of MODEL   20
    1    H1   MET   1           1H       MET   1  -8.935  -0.825  10.884
    2    H2   MET   1           2H       MET   1  -9.241   0.168  12.213
    3    H3   MET   1           3H       MET   1  -8.090  -1.065  12.323
    4    HA   MET   1           HA       MET   1  -7.907   1.325  10.592
    5    HB2  MET   1           1HB      MET   1  -6.373   0.528  13.079
    6    HB3  MET   1           2HB      MET   1  -5.980   1.901  12.057
    7    HG2  MET   1           1HG      MET   1  -8.092   2.950  12.608
    8    HG3  MET   1           2HG      MET   1  -8.553   1.553  13.578
    9    HE1  MET   1           3HE      MET   1  -6.143   4.620  13.241
   10    HE2  MET   1           1HE      MET   1  -4.995   3.283  13.327
   11    HE3  MET   1           2HE      MET   1  -5.107   4.437  14.657
   12    H    VAL   2           H        VAL   2  -6.164   1.373   9.187
   13    HA   VAL   2           HA       VAL   2  -4.737  -1.154   8.820
   14    HB   VAL   2           HB       VAL   2  -4.580  -0.703   6.645
   15   HG11  VAL   2          1HG1      VAL   2  -6.397   1.621   7.243
   16   HG12  VAL   2          2HG1      VAL   2  -6.895  -0.052   7.006
   17   HG13  VAL   2          3HG1      VAL   2  -6.176   0.851   5.668
   18   HG21  VAL   2          3HG2      VAL   2  -3.652   1.262   5.703
   19   HG22  VAL   2          1HG2      VAL   2  -2.761   0.895   7.172
   20   HG23  VAL   2          2HG2      VAL   2  -3.960   2.189   7.169
   21    H    THR   3           H        THR   3  -2.518  -1.302   8.830
   22    HA   THR   3           HA       THR   3  -1.348   0.208  10.934
   23    HB   THR   3           HB       THR   3  -0.595  -2.134   9.262
   24    HG1  THR   3           1HG      THR   3  -1.740  -2.387  11.229
   25   HG21  THR   3          3HG2      THR   3   1.420  -0.789   9.220
   26   HG22  THR   3          1HG2      THR   3   1.642  -2.215  10.245
   27   HG23  THR   3          2HG2      THR   3   1.372  -0.634  10.982
   28    H    GLN   4           H        GLN   4   0.291   1.607  10.914
   29    HA   GLN   4           HA       GLN   4   1.343   2.494   8.318
   30    HB2  GLN   4           1HB      GLN   4   2.060   4.537   9.782
   31    HB3  GLN   4           2HB      GLN   4   0.400   4.408   9.229
   32    HG2  GLN   4           1HG      GLN   4  -0.253   4.633  11.325
   33    HG3  GLN   4           2HG      GLN   4   0.460   3.060  11.669
   34   HE21  GLN   4          1HE2      GLN   4   3.194   4.068  11.175
   35   HE22  GLN   4          2HE2      GLN   4   3.595   5.016  12.562
   36    H    PHE   5           H        PHE   5   3.316   1.740   7.920
   37    HA   PHE   5           HA       PHE   5   5.035   0.708   9.949
   38    HB2  PHE   5           1HB      PHE   5   5.498   1.350   7.038
   39    HB3  PHE   5           2HB      PHE   5   6.781   0.758   8.081
   40    HD1  PHE   5           2HD      PHE   5   5.219  -1.240   9.679
   41    HD2  PHE   5           1HD      PHE   5   5.269  -0.387   5.510
   42    HE1  PHE   5           2HE      PHE   5   4.552  -3.557   9.198
   43    HE2  PHE   5           1HE      PHE   5   4.611  -2.706   5.016
   44    HZ   PHE   5           HZ       PHE   5   4.249  -4.291   6.868
   45    H    LYS   6           H        LYS   6   7.267   1.515  10.262
   46    HA   LYS   6           HA       LYS   6   7.203   4.439  10.506
   47    HB2  LYS   6           1HB      LYS   6   8.848   4.023  12.420
   48    HB3  LYS   6           2HB      LYS   6   7.163   3.607  12.685
   49    HG2  LYS   6           1HG      LYS   6   7.756   1.239  12.121
   50    HG3  LYS   6           2HG      LYS   6   9.449   1.736  12.127
   51    HD2  LYS   6           1HD      LYS   6   9.319   2.373  14.430
   52    HD3  LYS   6           2HD      LYS   6   7.573   2.137  14.451
   53    HE2  LYS   6           1HE      LYS   6   8.571   0.259  15.527
   54    HE3  LYS   6           2HE      LYS   6   7.969  -0.276  13.961
   55    HZ1  LYS   6           3HZ      LYS   6  10.792   0.486  14.453
   56    HZ2  LYS   6           1HZ      LYS   6  10.162  -0.280  13.083
   57    HZ3  LYS   6           2HZ      LYS   6  10.222  -1.101  14.558
   58    H    THR   7           H        THR   7   9.041   1.742   9.328
   59    HA   THR   7           HA       THR   7  10.935   3.639   8.190
   60    HB   THR   7           HB       THR   7  12.792   1.999   8.553
   61    HG1  THR   7           1HG      THR   7  12.209   0.736  10.637
   62   HG21  THR   7          3HG2      THR   7  12.673   4.043   9.852
   63   HG22  THR   7          1HG2      THR   7  13.214   2.715  10.877
   64   HG23  THR   7          2HG2      THR   7  11.550   3.288  10.983
   65    H    ALA   8           H        ALA   8  12.040   2.927   6.299
   66    HA   ALA   8           HA       ALA   8  10.651   1.381   4.450
   67    HB1  ALA   8           1HB      ALA   8  12.721   1.287   3.195
   68    HB2  ALA   8           2HB      ALA   8  13.659   1.681   4.635
   69    HB3  ALA   8           3HB      ALA   8  12.578   2.883   3.934
   70    H    SER   9           H        SER   9  13.096   0.536   6.839
   71    HA   SER   9           HA       SER   9  13.542  -2.123   6.290
   72    HB2  SER   9           1HB      SER   9  13.321  -0.886   9.041
   73    HB3  SER   9           2HB      SER   9  14.234  -2.331   8.606
   74    HG   SER   9           HG       SER   9  15.715  -1.119   7.576
   75    H    GLU  10           H        GLU  10  10.849  -0.628   8.074
   76    HA   GLU  10           HA       GLU  10   9.676  -3.071   8.951
   77    HB2  GLU  10           1HB      GLU  10   8.339  -0.437   8.312
   78    HB3  GLU  10           2HB      GLU  10   7.606  -1.754   9.211
   79    HG2  GLU  10           1HG      GLU  10  10.020  -0.179  10.062
   80    HG3  GLU  10           2HG      GLU  10   8.379   0.043  10.659
   81    H    PHE  11           H        PHE  11   9.054  -0.996   6.173
   82    HA   PHE  11           HA       PHE  11   7.010  -2.521   4.998
   83    HB2  PHE  11           1HB      PHE  11   7.106  -0.331   4.293
   84    HB3  PHE  11           2HB      PHE  11   8.853  -0.343   4.101
   85    HD1  PHE  11           1HD      PHE  11   5.643  -1.149   2.551
   86    HD2  PHE  11           2HD      PHE  11   9.863  -1.087   2.065
   87    HE1  PHE  11           1HE      PHE  11   5.355  -1.434   0.124
   88    HE2  PHE  11           2HE      PHE  11   9.586  -1.385  -0.369
   89    HZ   PHE  11           HZ       PHE  11   7.331  -1.553  -1.340
   90    H    ASP  12           H        ASP  12  10.508  -2.424   4.323
   91    HA   ASP  12           HA       ASP  12  10.543  -4.238   2.214
   92    HB2  ASP  12           1HB      ASP  12  12.572  -3.368   4.234
   93    HB3  ASP  12           2HB      ASP  12  12.950  -4.653   3.104
   94    H    SER  13           H        SER  13  10.522  -4.765   5.677
   95    HA   SER  13           HA       SER  13  11.180  -7.540   5.500
   96    HB2  SER  13           1HB      SER  13  11.628  -6.095   7.504
   97    HB3  SER  13           2HB      SER  13   9.893  -6.060   7.807
   98    HG   SER  13           HG       SER  13  10.101  -7.907   8.749
   99    H    ALA  14           H        ALA  14   8.233  -5.676   5.446
  100    HA   ALA  14           HA       ALA  14   6.534  -7.969   5.847
  101    HB1  ALA  14           1HB      ALA  14   5.820  -5.760   6.603
  102    HB2  ALA  14           2HB      ALA  14   4.688  -6.435   5.429
  103    HB3  ALA  14           3HB      ALA  14   5.831  -5.186   4.936
  104    H    ILE  15           H        ILE  15   7.590  -5.992   3.105
  105    HA   ILE  15           HA       ILE  15   5.982  -7.281   1.175
  106    HB   ILE  15           HB       ILE  15   7.487  -6.317  -0.500
  107   HG12  ILE  15          1HG1      ILE  15   9.116  -5.273   1.798
  108   HG13  ILE  15          2HG1      ILE  15   9.560  -6.708   0.891
  109   HG21  ILE  15          1HG2      ILE  15   5.892  -4.765   0.120
  110   HG22  ILE  15          2HG2      ILE  15   7.388  -3.886   0.412
  111   HG23  ILE  15          3HG2      ILE  15   6.520  -4.619   1.759
  112   HD11  ILE  15          3HD1      ILE  15   9.699  -5.371  -1.147
  113   HD12  ILE  15          1HD1      ILE  15  10.772  -4.755   0.109
  114   HD13  ILE  15          2HD1      ILE  15   9.248  -3.935  -0.229
  115    H    ALA  16           H        ALA  16   8.913  -8.178   2.779
  116    HA   ALA  16           HA       ALA  16   9.730 -10.104   0.804
  117    HB1  ALA  16           1HB      ALA  16  11.426 -10.749   2.390
  118    HB2  ALA  16           2HB      ALA  16  10.613  -9.843   3.666
  119    HB3  ALA  16           3HB      ALA  16  11.336  -8.988   2.300
  120    H    GLN  17           H        GLN  17   7.293 -10.092   3.083
  121    HA   GLN  17           HA       GLN  17   7.484 -12.753   4.050
  122    HB2  GLN  17           1HB      GLN  17   5.123 -10.873   3.874
  123    HB3  GLN  17           2HB      GLN  17   5.057 -12.449   4.651
  124    HG2  GLN  17           1HG      GLN  17   6.798 -11.728   6.222
  125    HG3  GLN  17           2HG      GLN  17   6.809 -10.140   5.458
  126   HE21  GLN  17          1HE2      GLN  17   6.181 -10.936   8.210
  127   HE22  GLN  17          2HE2      GLN  17   4.594 -10.325   8.522
  128    H    ASP  18           H        ASP  18   6.281 -14.585   3.449
  129    HA   ASP  18           HA       ASP  18   5.926 -14.885   0.605
  130    HB2  ASP  18           1HB      ASP  18   5.501 -16.763   2.919
  131    HB3  ASP  18           2HB      ASP  18   5.278 -17.233   1.241
  132    H    LYS  19           H        LYS  19   4.167 -13.024   1.638
  133    HA   LYS  19           HA       LYS  19   1.584 -14.201   0.996
  134    HB2  LYS  19           1HB      LYS  19   0.508 -13.588   2.939
  135    HB3  LYS  19           2HB      LYS  19   2.010 -14.280   3.512
  136    HG2  LYS  19           1HG      LYS  19   2.886 -12.220   4.125
  137    HG3  LYS  19           2HG      LYS  19   1.754 -11.330   3.101
  138    HD2  LYS  19           1HD      LYS  19   0.995 -12.916   5.550
  139    HD3  LYS  19           2HD      LYS  19   1.200 -11.162   5.500
  140    HE2  LYS  19           1HE      LYS  19  -0.609 -10.918   3.967
  141    HE3  LYS  19           2HE      LYS  19  -0.721 -12.662   3.724
  142    HZ1  LYS  19           3HZ      LYS  19  -2.454 -11.914   5.200
  143    HZ2  LYS  19           1HZ      LYS  19  -1.326 -11.179   6.231
  144    HZ3  LYS  19           2HZ      LYS  19  -1.365 -12.865   6.073
  145    H    LEU  20           H        LEU  20  -0.088 -12.364   1.018
  146    HA   LEU  20           HA       LEU  20   0.887 -10.368  -0.791
  147    HB2  LEU  20           1HB      LEU  20  -1.361 -11.565  -0.866
  148    HB3  LEU  20           2HB      LEU  20  -1.859 -10.542   0.459
  149    HG   LEU  20           HG       LEU  20  -2.748  -9.704  -1.622
  150   HD11  LEU  20          1HD1      LEU  20  -0.559  -7.905  -0.639
  151   HD12  LEU  20          2HD1      LEU  20  -2.197  -8.017  -0.001
  152   HD13  LEU  20          3HD1      LEU  20  -1.929  -7.419  -1.636
  153   HD21  LEU  20          3HD2      LEU  20  -1.389  -8.980  -3.463
  154   HD22  LEU  20          1HD2      LEU  20  -1.052 -10.674  -3.108
  155   HD23  LEU  20          2HD2      LEU  20   0.080  -9.425  -2.591
  156    H    VAL  21           H        VAL  21   2.067  -8.732   0.059
  157    HA   VAL  21           HA       VAL  21   0.971  -7.300   2.370
  158    HB   VAL  21           HB       VAL  21   3.549  -7.642   1.993
  159   HG11  VAL  21          1HG1      VAL  21   4.627  -5.909   0.731
  160   HG12  VAL  21          2HG1      VAL  21   3.063  -5.339   0.157
  161   HG13  VAL  21          3HG1      VAL  21   3.636  -6.948  -0.287
  162   HG21  VAL  21          3HG2      VAL  21   2.657  -6.212   3.753
  163   HG22  VAL  21          1HG2      VAL  21   2.412  -4.902   2.592
  164   HG23  VAL  21          2HG2      VAL  21   4.053  -5.438   2.998
  165    H    VAL  22           H        VAL  22  -0.380  -5.575   2.056
  166    HA   VAL  22           HA       VAL  22   0.003  -4.127  -0.447
  167    HB   VAL  22           HB       VAL  22  -2.105  -4.828  -0.863
  168   HG11  VAL  22          1HG1      VAL  22  -2.445  -6.244   0.946
  169   HG12  VAL  22          2HG1      VAL  22  -3.856  -5.191   0.844
  170   HG13  VAL  22          3HG1      VAL  22  -2.621  -4.895   2.072
  171   HG21  VAL  22          3HG2      VAL  22  -2.616  -2.424   0.875
  172   HG22  VAL  22          1HG2      VAL  22  -3.794  -3.127  -0.237
  173   HG23  VAL  22          2HG2      VAL  22  -2.294  -2.437  -0.861
  174    H    VAL  23           H        VAL  23   1.303  -2.583   0.129
  175    HA   VAL  23           HA       VAL  23   0.654  -0.895   2.454
  176    HB   VAL  23           HB       VAL  23   3.238  -1.100   0.889
  177   HG11  VAL  23          1HG1      VAL  23   2.600   0.380   3.429
  178   HG12  VAL  23          2HG1      VAL  23   2.909   1.104   1.852
  179   HG13  VAL  23          3HG1      VAL  23   4.195   0.239   2.691
  180   HG21  VAL  23          3HG2      VAL  23   4.087  -2.106   3.040
  181   HG22  VAL  23          1HG2      VAL  23   2.984  -3.116   2.104
  182   HG23  VAL  23          2HG2      VAL  23   2.403  -2.264   3.531
  183    H    ALA  24           H        ALA  24   0.371   1.325   2.199
  184    HA   ALA  24           HA       ALA  24   0.483   2.367  -0.544
  185    HB1  ALA  24           1HB      ALA  24  -1.523   3.259   1.481
  186    HB2  ALA  24           2HB      ALA  24  -1.837   1.983   0.307
  187    HB3  ALA  24           3HB      ALA  24  -1.483   3.618  -0.244
  188    H    PHE  25           H        PHE  25   1.859   3.840  -0.843
  189    HA   PHE  25           HA       PHE  25   3.032   5.405   1.232
  190    HB2  PHE  25           1HB      PHE  25   3.026   5.730  -1.772
  191    HB3  PHE  25           2HB      PHE  25   4.077   6.618  -0.668
  192    HD1  PHE  25           2HD      PHE  25   3.302   3.293  -2.063
  193    HD2  PHE  25           1HD      PHE  25   6.046   5.612   0.216
  194    HE1  PHE  25           2HE      PHE  25   4.949   1.474  -2.205
  195    HE2  PHE  25           1HE      PHE  25   7.703   3.795   0.069
  196    HZ   PHE  25           HZ       PHE  25   7.152   1.724  -1.137
  197    H    TYR  26           H        TYR  26   2.197   7.154   2.158
  198    HA   TYR  26           HA       TYR  26  -0.090   8.531   0.880
  199    HB2  TYR  26           1HB      TYR  26   0.379   7.492   3.605
  200    HB3  TYR  26           2HB      TYR  26  -0.304   9.107   3.532
  201    HD1  TYR  26           1HD      TYR  26  -0.919   5.945   1.616
  202    HD2  TYR  26           2HD      TYR  26  -2.483   9.075   4.023
  203    HE1  TYR  26           1HE      TYR  26  -3.160   4.953   1.452
  204    HE2  TYR  26           2HE      TYR  26  -4.722   8.101   3.864
  205    HH   TYR  26           HH       TYR  26  -5.952   6.592   2.316
  206    H    ALA  27           H        ALA  27  -0.436  10.711   1.937
  207    HA   ALA  27           HA       ALA  27   1.807  11.835   3.337
  208    HB1  ALA  27           1HB      ALA  27   1.985  13.812   1.862
  209    HB2  ALA  27           2HB      ALA  27   0.859  13.059   0.732
  210    HB3  ALA  27           3HB      ALA  27   2.435  12.325   1.025
  211    H    THR  28           H        THR  28   1.050  13.198   4.870
  212    HA   THR  28           HA       THR  28  -1.722  13.226   5.376
  213    HB   THR  28           HB       THR  28  -0.050  15.149   6.807
  214    HG1  THR  28           1HG      THR  28   1.210  13.587   7.774
  215   HG21  THR  28          3HG2      THR  28  -1.111  14.095   8.751
  216   HG22  THR  28          1HG2      THR  28  -1.846  12.895   7.687
  217   HG23  THR  28          2HG2      THR  28  -2.308  14.592   7.555
  218    H    TRP  29           H        TRP  29   0.065  15.145   3.342
  219    HA   TRP  29           HA       TRP  29  -1.737  17.437   3.629
  220    HB2  TRP  29           1HB      TRP  29  -0.044  18.705   2.363
  221    HB3  TRP  29           2HB      TRP  29   0.611  18.016   3.844
  222    HD1  TRP  29           HD       TRP  29   0.573  17.311   0.059
  223    HE1  TRP  29           1HE      TRP  29   2.772  16.112  -0.572
  224    HE3  TRP  29           3HE      TRP  29   2.544  16.768   4.734
  225    HZ2  TRP  29           2HZ      TRP  29   5.039  15.075   0.761
  226    HZ3  TRP  29           3HZ      TRP  29   4.728  15.664   4.975
  227    HH2  TRP  29           HH       TRP  29   5.948  14.833   3.030
  228    H    CYS  30           H        CYS  30  -1.940  14.720   2.068
  229    HA   CYS  30           HA       CYS  30  -2.493  15.943  -0.545
  230    HB2  CYS  30           1HB      CYS  30  -1.309  14.327  -1.470
  231    HB3  CYS  30           2HB      CYS  30  -0.968  13.644   0.117
  232    H    GLY  31           H        GLY  31  -4.385  15.746  -1.500
  233    HA2  GLY  31           1HA      GLY  31  -6.662  15.179   0.117
  234    HA3  GLY  31           2HA      GLY  31  -6.673  15.674  -1.564
  235    HA   PRO  32           HA       PRO  32  -7.423  11.566  -2.975
  236    HB2  PRO  32           1HB      PRO  32  -4.736  10.626  -3.707
  237    HB3  PRO  32           2HB      PRO  32  -6.130  10.940  -4.742
  238    HG2  PRO  32           1HG      PRO  32  -3.977  12.528  -4.787
  239    HG3  PRO  32           2HG      PRO  32  -5.615  13.186  -4.973
  240    HD2  PRO  32           1HD      PRO  32  -3.887  13.088  -2.519
  241    HD3  PRO  32           2HD      PRO  32  -4.805  14.457  -3.154
  242    H    CYS  33           H        CYS  33  -4.555  11.664  -0.976
  243    HA   CYS  33           HA       CYS  33  -4.529   9.078   0.090
  244    HB2  CYS  33           1HB      CYS  33  -4.022  11.651   1.612
  245    HB3  CYS  33           2HB      CYS  33  -3.443  10.048   2.045
  246    H    LYS  34           H        LYS  34  -6.435  11.900   0.940
  247    HA   LYS  34           HA       LYS  34  -7.589  10.835   3.267
  248    HB2  LYS  34           1HB      LYS  34  -8.645  13.000   1.444
  249    HB3  LYS  34           2HB      LYS  34  -9.161  12.703   3.100
  250    HG2  LYS  34           1HG      LYS  34  -6.925  13.232   3.905
  251    HG3  LYS  34           2HG      LYS  34  -6.386  13.504   2.247
  252    HD2  LYS  34           1HD      LYS  34  -8.023  15.327   2.036
  253    HD3  LYS  34           2HD      LYS  34  -8.508  15.068   3.713
  254    HE2  LYS  34           1HE      LYS  34  -5.770  15.884   2.747
  255    HE3  LYS  34           2HE      LYS  34  -6.944  16.922   3.552
  256    HZ1  LYS  34           3HZ      LYS  34  -5.325  16.190   5.134
  257    HZ2  LYS  34           1HZ      LYS  34  -5.565  14.567   4.721
  258    HZ3  LYS  34           2HZ      LYS  34  -6.791  15.432   5.495
  259    H    MET  35           H        MET  35  -8.887  11.079  -0.067
  260    HA   MET  35           HA       MET  35 -11.413  10.028   0.598
  261    HB2  MET  35           1HB      MET  35 -11.739   9.678  -1.812
  262    HB3  MET  35           2HB      MET  35 -11.109  11.275  -1.441
  263    HG2  MET  35           1HG      MET  35  -8.868  10.504  -2.069
  264    HG3  MET  35           2HG      MET  35  -9.550   8.936  -2.485
  265    HE1  MET  35           3HE      MET  35 -11.361   8.594  -4.418
  266    HE2  MET  35           1HE      MET  35 -11.907   9.883  -5.490
  267    HE3  MET  35           2HE      MET  35 -12.372   9.895  -3.790
  268    H    ILE  36           H        ILE  36  -8.590   8.292  -0.792
  269    HA   ILE  36           HA       ILE  36 -10.084   5.847  -0.716
  270    HB   ILE  36           HB       ILE  36  -8.588   5.095  -2.147
  271   HG12  ILE  36          1HG1      ILE  36  -7.419   4.411   0.091
  272   HG13  ILE  36          2HG1      ILE  36  -6.609   4.166  -1.441
  273   HG21  ILE  36          1HG2      ILE  36  -6.934   7.543  -1.602
  274   HG22  ILE  36          2HG2      ILE  36  -8.235   7.404  -2.784
  275   HG23  ILE  36          3HG2      ILE  36  -6.760   6.459  -2.982
  276   HD11  ILE  36          3HD1      ILE  36  -5.271   6.137  -1.078
  277   HD12  ILE  36          1HD1      ILE  36  -5.143   5.053   0.309
  278   HD13  ILE  36          2HD1      ILE  36  -6.158   6.497   0.408
  279    H    ALA  37           H        ALA  37  -8.404   7.656   1.577
  280    HA   ALA  37           HA       ALA  37  -7.296   5.666   3.176
  281    HB1  ALA  37           1HB      ALA  37  -7.199   7.268   4.937
  282    HB2  ALA  37           2HB      ALA  37  -8.431   8.265   4.170
  283    HB3  ALA  37           3HB      ALA  37  -6.849   8.075   3.402
  284    HA   PRO  38           HA       PRO  38 -11.545   5.075   5.385
  285    HB2  PRO  38           1HB      PRO  38 -13.458   6.200   3.440
  286    HB3  PRO  38           2HB      PRO  38 -13.454   6.311   5.203
  287    HG2  PRO  38           1HG      PRO  38 -12.855   8.422   3.692
  288    HG3  PRO  38           2HG      PRO  38 -12.007   8.111   5.220
  289    HD2  PRO  38           1HD      PRO  38 -11.119   7.544   2.414
  290    HD3  PRO  38           2HD      PRO  38 -10.208   8.252   3.760
  291    H    MET  39           H        MET  39 -11.420   5.243   1.810
  292    HA   MET  39           HA       MET  39 -13.025   2.958   1.397
  293    HB2  MET  39           1HB      MET  39 -10.871   4.170  -0.323
  294    HB3  MET  39           2HB      MET  39 -11.877   2.828  -0.847
  295    HG2  MET  39           1HG      MET  39 -12.906   5.524   0.003
  296    HG3  MET  39           2HG      MET  39 -12.666   5.011  -1.665
  297    HE1  MET  39           3HE      MET  39 -15.313   2.206  -2.112
  298    HE2  MET  39           1HE      MET  39 -13.610   2.012  -1.699
  299    HE3  MET  39           2HE      MET  39 -14.095   3.214  -2.896
  300    H    ILE  40           H        ILE  40  -9.418   3.051   1.159
  301    HA   ILE  40           HA       ILE  40  -9.231   0.244   1.138
  302    HB   ILE  40           HB       ILE  40  -7.215   2.421   1.672
  303   HG12  ILE  40          1HG1      ILE  40  -7.629   0.427  -0.569
  304   HG13  ILE  40          2HG1      ILE  40  -8.156   2.105  -0.593
  305   HG21  ILE  40          1HG2      ILE  40  -6.730  -0.555   1.644
  306   HG22  ILE  40          2HG2      ILE  40  -6.438   0.568   2.977
  307   HG23  ILE  40          3HG2      ILE  40  -5.472   0.674   1.503
  308   HD11  ILE  40          3HD1      ILE  40  -5.769   2.752  -0.325
  309   HD12  ILE  40          1HD1      ILE  40  -6.183   1.968  -1.850
  310   HD13  ILE  40          2HD1      ILE  40  -5.353   1.056  -0.585
  311    H    GLU  41           H        GLU  41  -9.531   2.500   3.775
  312    HA   GLU  41           HA       GLU  41  -8.903   0.736   5.877
  313    HB2  GLU  41           1HB      GLU  41  -9.346   3.177   6.144
  314    HB3  GLU  41           2HB      GLU  41 -11.050   2.865   5.852
  315    HG2  GLU  41           1HG      GLU  41 -11.185   1.522   7.855
  316    HG3  GLU  41           2HG      GLU  41  -9.452   1.716   8.127
  317    H    LYS  42           H        LYS  42 -11.992   1.348   4.169
  318    HA   LYS  42           HA       LYS  42 -13.424  -0.660   5.516
  319    HB2  LYS  42           1HB      LYS  42 -14.616   0.958   4.191
  320    HB3  LYS  42           2HB      LYS  42 -13.736   0.499   2.742
  321    HG2  LYS  42           1HG      LYS  42 -16.113  -0.308   2.900
  322    HG3  LYS  42           2HG      LYS  42 -14.901  -1.542   2.560
  323    HD2  LYS  42           1HD      LYS  42 -15.028  -2.439   4.695
  324    HD3  LYS  42           2HD      LYS  42 -15.772  -0.985   5.370
  325    HE2  LYS  42           1HE      LYS  42 -17.108  -2.798   3.367
  326    HE3  LYS  42           2HE      LYS  42 -17.326  -2.927   5.111
  327    HZ1  LYS  42           3HZ      LYS  42 -19.091  -1.644   3.999
  328    HZ2  LYS  42           1HZ      LYS  42 -17.947  -0.494   3.520
  329    HZ3  LYS  42           2HZ      LYS  42 -18.268  -0.736   5.162
  330    H    PHE  43           H        PHE  43 -11.292  -0.750   2.753
  331    HA   PHE  43           HA       PHE  43 -11.839  -3.480   2.243
  332    HB2  PHE  43           1HB      PHE  43  -9.593  -1.778   1.185
  333    HB3  PHE  43           2HB      PHE  43 -10.027  -3.389   0.634
  334    HD1  PHE  43           1HD      PHE  43 -12.945  -1.671   1.494
  335    HD2  PHE  43           2HD      PHE  43 -10.032  -1.983  -1.607
  336    HE1  PHE  43           1HE      PHE  43 -14.540  -0.684  -0.101
  337    HE2  PHE  43           2HE      PHE  43 -11.625  -0.974  -3.188
  338    HZ   PHE  43           HZ       PHE  43 -13.877  -0.331  -2.443
  339    H    SER  44           H        SER  44  -9.885  -1.876   4.521
  340    HA   SER  44           HA       SER  44  -8.029  -4.021   4.868
  341    HB2  SER  44           1HB      SER  44  -7.266  -2.880   6.796
  342    HB3  SER  44           2HB      SER  44  -7.660  -1.606   5.658
  343    HG   SER  44           HG       SER  44  -9.714  -1.470   6.794
  344    H    GLU  45           H        GLU  45 -11.272  -3.343   5.610
  345    HA   GLU  45           HA       GLU  45 -11.463  -5.507   7.564
  346    HB2  GLU  45           1HB      GLU  45 -12.942  -3.510   7.712
  347    HB3  GLU  45           2HB      GLU  45 -13.649  -3.946   6.163
  348    HG2  GLU  45           1HG      GLU  45 -15.123  -4.648   7.897
  349    HG3  GLU  45           2HG      GLU  45 -14.405  -6.081   7.164
  350    H    GLN  46           H        GLN  46 -11.651  -4.960   4.183
  351    HA   GLN  46           HA       GLN  46 -13.206  -7.250   3.540
  352    HB2  GLN  46           1HB      GLN  46 -11.490  -5.571   1.741
  353    HB3  GLN  46           2HB      GLN  46 -12.693  -6.743   1.221
  354    HG2  GLN  46           1HG      GLN  46 -13.229  -4.227   2.785
  355    HG3  GLN  46           2HG      GLN  46 -13.563  -4.489   1.071
  356   HE21  GLN  46          1HE2      GLN  46 -15.266  -5.826   0.472
  357   HE22  GLN  46          2HE2      GLN  46 -16.519  -6.267   1.578
  358    H    TYR  47           H        TYR  47  -9.739  -6.636   3.564
  359    HA   TYR  47           HA       TYR  47  -9.400  -9.468   2.858
  360    HB2  TYR  47           1HB      TYR  47  -6.834  -8.637   2.869
  361    HB3  TYR  47           2HB      TYR  47  -7.844  -8.795   1.449
  362    HD1  TYR  47           2HD      TYR  47  -9.058  -6.734   0.654
  363    HD2  TYR  47           1HD      TYR  47  -5.794  -6.580   3.405
  364    HE1  TYR  47           2HE      TYR  47  -8.623  -4.402   0.001
  365    HE2  TYR  47           1HE      TYR  47  -5.362  -4.253   2.734
  366    HH   TYR  47           HH       TYR  47  -7.545  -2.395   0.943
  367    HA   PRO  48           HA       PRO  48  -8.033 -10.075   7.097
  368    HB2  PRO  48           1HB      PRO  48  -9.085 -12.730   6.891
  369    HB3  PRO  48           2HB      PRO  48  -9.714 -11.392   7.850
  370    HG2  PRO  48           1HG      PRO  48 -10.998 -12.512   5.678
  371    HG3  PRO  48           2HG      PRO  48 -11.305 -10.883   6.304
  372    HD2  PRO  48           1HD      PRO  48  -9.636 -11.740   3.976
  373    HD3  PRO  48           2HD      PRO  48 -10.698 -10.325   4.145
  374    H    GLN  49           H        GLN  49  -7.593 -11.719   4.075
  375    HA   GLN  49           HA       GLN  49  -5.472 -13.422   5.113
  376    HB2  GLN  49           1HB      GLN  49  -5.411 -14.452   2.952
  377    HB3  GLN  49           2HB      GLN  49  -7.094 -14.291   3.426
  378    HG2  GLN  49           1HG      GLN  49  -7.553 -12.772   1.815
  379    HG3  GLN  49           2HG      GLN  49  -5.928 -12.091   1.838
  380   HE21  GLN  49          1HE2      GLN  49  -4.278 -13.154   0.725
  381   HE22  GLN  49          2HE2      GLN  49  -4.626 -14.228  -0.583
  382    H    ALA  50           H        ALA  50  -5.856 -10.428   3.547
  383    HA   ALA  50           HA       ALA  50  -3.029 -10.373   2.784
  384    HB1  ALA  50           1HB      ALA  50  -3.625  -8.538   1.265
  385    HB2  ALA  50           2HB      ALA  50  -5.310  -8.680   1.754
  386    HB3  ALA  50           3HB      ALA  50  -4.528 -10.004   0.893
  387    H    ASP  51           H        ASP  51  -1.773  -8.716   3.543
  388    HA   ASP  51           HA       ASP  51  -2.860  -7.556   5.972
  389    HB2  ASP  51           1HB      ASP  51  -0.135  -8.235   5.027
  390    HB3  ASP  51           2HB      ASP  51  -0.266  -6.846   6.100
  391    H    PHE  52           H        PHE  52  -3.569  -5.665   6.071
  392    HA   PHE  52           HA       PHE  52  -3.137  -3.768   3.934
  393    HB2  PHE  52           1HB      PHE  52  -4.868  -2.475   5.450
  394    HB3  PHE  52           2HB      PHE  52  -5.385  -3.817   4.440
  395    HD1  PHE  52           1HD      PHE  52  -5.658  -6.106   5.513
  396    HD2  PHE  52           2HD      PHE  52  -5.167  -2.532   7.754
  397    HE1  PHE  52           1HE      PHE  52  -6.595  -7.224   7.491
  398    HE2  PHE  52           2HE      PHE  52  -6.105  -3.635   9.731
  399    HZ   PHE  52           HZ       PHE  52  -6.815  -5.989   9.611
  400    H    TYR  53           H        TYR  53  -1.423  -2.435   4.085
  401    HA   TYR  53           HA       TYR  53  -1.189  -0.913   6.605
  402    HB2  TYR  53           1HB      TYR  53   1.218  -1.421   4.857
  403    HB3  TYR  53           2HB      TYR  53   1.171  -0.885   6.534
  404    HD1  TYR  53           2HD      TYR  53   0.921  -3.808   4.305
  405    HD2  TYR  53           1HD      TYR  53   1.099  -2.459   8.323
  406    HE1  TYR  53           2HE      TYR  53   1.402  -6.097   5.055
  407    HE2  TYR  53           1HE      TYR  53   1.593  -4.738   9.082
  408    HH   TYR  53           HH       TYR  53   2.433  -7.245   6.907
  409    H    LYS  54           H        LYS  54  -0.631   1.301   6.302
  410    HA   LYS  54           HA       LYS  54  -0.186   2.225   3.571
  411    HB2  LYS  54           1HB      LYS  54  -2.488   3.265   5.253
  412    HB3  LYS  54           2HB      LYS  54  -1.907   4.047   3.785
  413    HG2  LYS  54           1HG      LYS  54  -2.422   1.976   2.528
  414    HG3  LYS  54           2HG      LYS  54  -3.075   1.269   3.988
  415    HD2  LYS  54           1HD      LYS  54  -4.181   3.657   2.491
  416    HD3  LYS  54           2HD      LYS  54  -4.851   2.046   2.548
  417    HE2  LYS  54           1HE      LYS  54  -6.173   3.220   4.036
  418    HE3  LYS  54           2HE      LYS  54  -5.022   2.396   5.077
  419    HZ1  LYS  54           3HZ      LYS  54  -3.732   4.462   5.174
  420    HZ2  LYS  54           1HZ      LYS  54  -5.301   4.672   5.762
  421    HZ3  LYS  54           2HZ      LYS  54  -4.896   5.231   4.221
  422    H    LEU  55           H        LEU  55   1.461   3.605   3.556
  423    HA   LEU  55           HA       LEU  55   2.547   4.335   6.166
  424    HB2  LEU  55           1HB      LEU  55   3.858   4.379   3.480
  425    HB3  LEU  55           2HB      LEU  55   4.617   4.511   5.037
  426    HG   LEU  55           HG       LEU  55   3.496   2.124   3.705
  427   HD11  LEU  55          1HD1      LEU  55   5.948   2.526   5.362
  428   HD12  LEU  55          2HD1      LEU  55   5.886   2.807   3.622
  429   HD13  LEU  55          3HD1      LEU  55   5.596   1.187   4.264
  430   HD21  LEU  55          3HD2      LEU  55   3.637   0.911   5.849
  431   HD22  LEU  55          1HD2      LEU  55   2.347   2.114   5.814
  432   HD23  LEU  55          2HD2      LEU  55   3.852   2.461   6.663
  433    H    ASP  56           H        ASP  56   3.600   6.368   6.485
  434    HA   ASP  56           HA       ASP  56   2.448   8.594   4.933
  435    HB2  ASP  56           1HB      ASP  56   3.505   9.919   6.913
  436    HB3  ASP  56           2HB      ASP  56   2.012   9.028   7.177
  437    H    VAL  57           H        VAL  57   3.653   9.394   3.385
  438    HA   VAL  57           HA       VAL  57   6.242   8.447   2.877
  439    HB   VAL  57           HB       VAL  57   4.262   9.509   1.393
  440   HG11  VAL  57          1HG1      VAL  57   6.389  11.640   1.437
  441   HG12  VAL  57          2HG1      VAL  57   4.741  11.806   2.040
  442   HG13  VAL  57          3HG1      VAL  57   5.028  11.555   0.317
  443   HG21  VAL  57          3HG2      VAL  57   5.887   7.990   0.577
  444   HG22  VAL  57          1HG2      VAL  57   7.159   9.209   0.673
  445   HG23  VAL  57          2HG2      VAL  57   5.849   9.390  -0.495
  446    H    ASP  58           H        ASP  58   5.265  11.079   4.842
  447    HA   ASP  58           HA       ASP  58   7.524  12.749   4.283
  448    HB2  ASP  58           1HB      ASP  58   6.786  14.176   6.003
  449    HB3  ASP  58           2HB      ASP  58   5.318  13.516   5.294
  450    H    GLU  59           H        GLU  59   6.849  10.130   6.492
  451    HA   GLU  59           HA       GLU  59   9.608  10.342   7.476
  452    HB2  GLU  59           1HB      GLU  59   7.242   8.808   8.547
  453    HB3  GLU  59           2HB      GLU  59   8.883   8.584   9.139
  454    HG2  GLU  59           1HG      GLU  59   8.928  11.038   9.650
  455    HG3  GLU  59           2HG      GLU  59   7.205  11.072   9.279
  456    H    LEU  60           H        LEU  60   7.553   8.545   5.411
  457    HA   LEU  60           HA       LEU  60   9.621   6.483   5.099
  458    HB2  LEU  60           1HB      LEU  60   6.708   6.535   4.347
  459    HB3  LEU  60           2HB      LEU  60   7.819   5.371   3.644
  460    HG   LEU  60           HG       LEU  60   6.638   4.307   5.420
  461   HD11  LEU  60          1HD1      LEU  60   8.450   3.557   6.828
  462   HD12  LEU  60          2HD1      LEU  60   9.408   4.971   6.395
  463   HD13  LEU  60          3HD1      LEU  60   9.027   3.756   5.171
  464   HD21  LEU  60          3HD2      LEU  60   6.716   5.087   7.737
  465   HD22  LEU  60          1HD2      LEU  60   5.924   6.254   6.679
  466   HD23  LEU  60          2HD2      LEU  60   7.580   6.534   7.217
  467    H    GLY  61           H        GLY  61  10.304   8.923   4.127
  468    HA2  GLY  61           1HA      GLY  61   9.538   9.228   1.376
  469    HA3  GLY  61           2HA      GLY  61  10.782  10.136   2.219
  470    H    ASP  62           H        ASP  62  12.220   7.763   3.076
  471    HA   ASP  62           HA       ASP  62  13.883   7.517   0.776
  472    HB2  ASP  62           1HB      ASP  62  13.953   6.205   3.487
  473    HB3  ASP  62           2HB      ASP  62  15.134   5.854   2.232
  474    H    VAL  63           H        VAL  63  11.685   5.295   2.468
  475    HA   VAL  63           HA       VAL  63  12.159   3.085   0.794
  476    HB   VAL  63           HB       VAL  63  10.974   2.705   2.856
  477   HG11  VAL  63          1HG1      VAL  63   8.754   3.495   3.289
  478   HG12  VAL  63          2HG1      VAL  63   8.759   4.405   1.776
  479   HG13  VAL  63          3HG1      VAL  63   9.867   4.845   3.077
  480   HG21  VAL  63          3HG2      VAL  63   9.176   2.262   0.494
  481   HG22  VAL  63          1HG2      VAL  63   9.013   1.465   2.060
  482   HG23  VAL  63          2HG2      VAL  63  10.445   1.176   1.069
  483    H    ALA  64           H        ALA  64   9.900   5.770   0.575
  484    HA   ALA  64           HA       ALA  64   8.478   5.000  -1.684
  485    HB1  ALA  64           1HB      ALA  64   7.821   6.881  -0.311
  486    HB2  ALA  64           2HB      ALA  64   8.017   7.397  -1.988
  487    HB3  ALA  64           3HB      ALA  64   9.264   7.770  -0.797
  488    H    GLN  65           H        GLN  65  11.623   6.553  -1.396
  489    HA   GLN  65           HA       GLN  65  11.822   7.251  -4.155
  490    HB2  GLN  65           1HB      GLN  65  13.891   7.073  -1.956
  491    HB3  GLN  65           2HB      GLN  65  14.242   7.657  -3.578
  492    HG2  GLN  65           1HG      GLN  65  12.675   9.481  -3.284
  493    HG3  GLN  65           2HG      GLN  65  12.247   8.877  -1.681
  494   HE21  GLN  65          1HE2      GLN  65  13.686   9.116   0.002
  495   HE22  GLN  65          2HE2      GLN  65  15.050  10.176  -0.078
  496    H    LYS  66           H        LYS  66  12.880   4.562  -2.174
  497    HA   LYS  66           HA       LYS  66  14.503   3.256  -4.016
  498    HB2  LYS  66           1HB      LYS  66  12.763   2.150  -1.821
  499    HB3  LYS  66           2HB      LYS  66  14.016   1.248  -2.654
  500    HG2  LYS  66           1HG      LYS  66  15.560   3.172  -1.848
  501    HG3  LYS  66           2HG      LYS  66  14.255   3.460  -0.694
  502    HD2  LYS  66           1HD      LYS  66  15.732   0.857  -1.073
  503    HD3  LYS  66           2HD      LYS  66  15.990   2.002   0.242
  504    HE2  LYS  66           1HE      LYS  66  13.693   1.659   0.998
  505    HE3  LYS  66           2HE      LYS  66  13.417   0.537  -0.333
  506    HZ1  LYS  66           3HZ      LYS  66  15.342   0.176   1.897
  507    HZ2  LYS  66           1HZ      LYS  66  15.165  -0.885   0.592
  508    HZ3  LYS  66           2HZ      LYS  66  13.888  -0.670   1.683
  509    H    ASN  67           H        ASN  67  11.055   3.271  -3.505
  510    HA   ASN  67           HA       ASN  67  10.699   1.253  -5.591
  511    HB2  ASN  67           1HB      ASN  67   8.819   2.355  -3.504
  512    HB3  ASN  67           2HB      ASN  67   8.309   1.254  -4.780
  513   HD21  ASN  67          1HD2      ASN  67  10.220   1.612  -1.892
  514   HD22  ASN  67          2HD2      ASN  67  10.471  -0.077  -1.602
  515    H    GLU  68           H        GLU  68  11.247   4.312  -5.745
  516    HA   GLU  68           HA       GLU  68  10.922   5.888  -7.357
  517    HB2  GLU  68           1HB      GLU  68   9.459   3.671  -8.801
  518    HB3  GLU  68           2HB      GLU  68  10.070   5.151  -9.527
  519    HG2  GLU  68           1HG      GLU  68  12.307   4.484  -9.253
  520    HG3  GLU  68           2HG      GLU  68  11.865   3.179  -8.152
  521    H    VAL  69           H        VAL  69   9.081   5.879  -5.233
  522    HA   VAL  69           HA       VAL  69   6.445   6.219  -6.446
  523    HB   VAL  69           HB       VAL  69   7.271   6.275  -3.540
  524   HG11  VAL  69          1HG1      VAL  69   4.874   6.162  -3.055
  525   HG12  VAL  69          2HG1      VAL  69   4.520   6.290  -4.778
  526   HG13  VAL  69          3HG1      VAL  69   5.286   7.636  -3.932
  527   HG21  VAL  69          3HG2      VAL  69   7.526   4.073  -4.530
  528   HG22  VAL  69          1HG2      VAL  69   5.883   4.149  -5.165
  529   HG23  VAL  69          2HG2      VAL  69   6.152   4.093  -3.423
  530    H    SER  70           H        SER  70   6.111   8.129  -7.322
  531    HA   SER  70           HA       SER  70   6.979  10.527  -5.884
  532    HB2  SER  70           1HB      SER  70   7.813  10.245  -8.215
  533    HB3  SER  70           2HB      SER  70   6.142  10.308  -8.743
  534    HG   SER  70           HG       SER  70   6.132  12.415  -7.530
  535    H    ALA  71           H        ALA  71   4.271   9.080  -7.631
  536    HA   ALA  71           HA       ALA  71   2.424  11.135  -6.878
  537    HB1  ALA  71           1HB      ALA  71   0.725   9.683  -7.861
  538    HB2  ALA  71           2HB      ALA  71   1.899   8.372  -7.973
  539    HB3  ALA  71           3HB      ALA  71   2.119   9.837  -8.930
  540    H    MET  72           H        MET  72   0.638  10.900  -5.434
  541    HA   MET  72           HA       MET  72   0.746   8.647  -3.579
  542    HB2  MET  72           1HB      MET  72   0.748  10.029  -1.617
  543    HB3  MET  72           2HB      MET  72   2.106  10.524  -2.616
  544    HG2  MET  72           1HG      MET  72  -0.547  11.940  -2.481
  545    HG3  MET  72           2HG      MET  72   0.901  12.412  -1.597
  546    HE1  MET  72           3HE      MET  72  -1.011  14.076  -3.746
  547    HE2  MET  72           1HE      MET  72   0.216  15.057  -4.550
  548    HE3  MET  72           2HE      MET  72   0.251  14.866  -2.798
  549    HA   PRO  73           HA       PRO  73  -0.280   7.858  -2.011
  550    HB2  PRO  73           1HB      PRO  73  -2.174   5.988  -1.636
  551    HB3  PRO  73           2HB      PRO  73  -2.141   7.490  -0.704
  552    HG2  PRO  73           1HG      PRO  73  -3.843   6.742  -3.039
  553    HG3  PRO  73           2HG      PRO  73  -4.272   7.651  -1.581
  554    HD2  PRO  73           1HD      PRO  73  -3.698   8.794  -4.019
  555    HD3  PRO  73           2HD      PRO  73  -3.559   9.623  -2.459
  556    H    THR  74           H        THR  74   0.467   5.685  -2.353
  557    HA   THR  74           HA       THR  74   0.019   4.655  -5.056
  558    HB   THR  74           HB       THR  74   2.665   5.151  -3.702
  559    HG1  THR  74           1HG      THR  74   2.381   6.874  -4.933
  560   HG21  THR  74          3HG2      THR  74   2.744   2.914  -4.658
  561   HG22  THR  74          1HG2      THR  74   3.722   4.025  -5.615
  562   HG23  THR  74          2HG2      THR  74   2.130   3.529  -6.190
  563    H    LEU  75           H        LEU  75  -0.604   2.615  -5.007
  564    HA   LEU  75           HA       LEU  75  -0.247   1.076  -2.536
  565    HB2  LEU  75           1HB      LEU  75  -2.308   1.200  -4.673
  566    HB3  LEU  75           2HB      LEU  75  -2.039  -0.333  -3.877
  567    HG   LEU  75           HG       LEU  75  -3.921   0.904  -2.902
  568   HD11  LEU  75          1HD1      LEU  75  -1.546   0.609  -1.079
  569   HD12  LEU  75          2HD1      LEU  75  -2.722  -0.635  -1.497
  570   HD13  LEU  75          3HD1      LEU  75  -3.222   0.768  -0.555
  571   HD21  LEU  75          3HD2      LEU  75  -3.493   2.939  -1.585
  572   HD22  LEU  75          1HD2      LEU  75  -3.204   3.172  -3.309
  573   HD23  LEU  75          2HD2      LEU  75  -1.842   2.970  -2.207
  574    H    LEU  76           H        LEU  76   1.477  -0.257  -2.705
  575    HA   LEU  76           HA       LEU  76   1.758  -1.740  -5.238
  576    HB2  LEU  76           1HB      LEU  76   4.044  -1.095  -3.368
  577    HB3  LEU  76           2HB      LEU  76   4.144  -1.773  -4.979
  578    HG   LEU  76           HG       LEU  76   3.381   1.055  -4.266
  579   HD11  LEU  76          1HD1      LEU  76   5.434   1.638  -5.444
  580   HD12  LEU  76          2HD1      LEU  76   5.769  -0.072  -5.721
  581   HD13  LEU  76          3HD1      LEU  76   5.766   0.572  -4.078
  582   HD21  LEU  76          3HD2      LEU  76   2.073   0.338  -6.165
  583   HD22  LEU  76          1HD2      LEU  76   3.516  -0.300  -6.952
  584   HD23  LEU  76          2HD2      LEU  76   3.345   1.436  -6.699
  585    H    LEU  77           H        LEU  77   1.177  -3.775  -4.946
  586    HA   LEU  77           HA       LEU  77   1.432  -4.865  -2.258
  587    HB2  LEU  77           1HB      LEU  77   0.301  -6.456  -4.491
  588    HB3  LEU  77           2HB      LEU  77  -0.165  -6.394  -2.804
  589    HG   LEU  77           HG       LEU  77  -0.906  -4.482  -5.003
  590   HD11  LEU  77          1HD1      LEU  77  -2.195  -6.566  -4.688
  591   HD12  LEU  77          2HD1      LEU  77  -3.151  -5.112  -4.373
  592   HD13  LEU  77          3HD1      LEU  77  -2.540  -6.071  -3.018
  593   HD21  LEU  77          3HD2      LEU  77  -0.485  -2.960  -3.294
  594   HD22  LEU  77          1HD2      LEU  77  -1.030  -4.069  -2.039
  595   HD23  LEU  77          2HD2      LEU  77  -2.202  -3.319  -3.115
  596    H    PHE  78           H        PHE  78   2.784  -6.442  -1.712
  597    HA   PHE  78           HA       PHE  78   4.638  -7.334  -3.794
  598    HB2  PHE  78           1HB      PHE  78   5.106  -6.167  -1.145
  599    HB3  PHE  78           2HB      PHE  78   6.090  -7.574  -1.501
  600    HD1  PHE  78           1HD      PHE  78   5.130  -4.218  -2.743
  601    HD2  PHE  78           2HD      PHE  78   7.974  -7.381  -2.906
  602    HE1  PHE  78           1HE      PHE  78   6.645  -2.782  -4.042
  603    HE2  PHE  78           2HE      PHE  78   9.495  -5.949  -4.207
  604    HZ   PHE  78           HZ       PHE  78   8.831  -3.647  -4.777
  605    H    LYS  79           H        LYS  79   5.632  -9.369  -3.525
  606    HA   LYS  79           HA       LYS  79   4.373 -11.193  -1.632
  607    HB2  LYS  79           1HB      LYS  79   3.028 -11.221  -3.658
  608    HB3  LYS  79           2HB      LYS  79   4.448 -11.530  -4.633
  609    HG2  LYS  79           1HG      LYS  79   4.648 -13.732  -3.698
  610    HG3  LYS  79           2HG      LYS  79   3.388 -13.394  -2.509
  611    HD2  LYS  79           1HD      LYS  79   1.780 -13.082  -4.373
  612    HD3  LYS  79           2HD      LYS  79   3.047 -13.555  -5.503
  613    HE2  LYS  79           1HE      LYS  79   2.003 -15.277  -3.260
  614    HE3  LYS  79           2HE      LYS  79   1.491 -15.396  -4.940
  615    HZ1  LYS  79           3HZ      LYS  79   3.144 -17.044  -4.495
  616    HZ2  LYS  79           1HZ      LYS  79   4.222 -15.891  -3.888
  617    HZ3  LYS  79           2HZ      LYS  79   3.813 -15.888  -5.529
  618    H    ASN  80           H        ASN  80   5.972 -12.146  -0.642
  619    HA   ASN  80           HA       ASN  80   8.061 -12.815  -0.058
  620    HB2  ASN  80           1HB      ASN  80   9.016 -14.624  -1.484
  621    HB3  ASN  80           2HB      ASN  80   7.321 -14.855  -1.084
  622   HD21  ASN  80          1HD2      ASN  80   5.785 -14.707  -2.678
  623   HD22  ASN  80          2HD2      ASN  80   6.171 -14.686  -4.364
  624    H    GLY  81           H        GLY  81   8.121 -10.267  -1.236
  625    HA2  GLY  81           1HA      GLY  81   9.788  -8.746  -1.693
  626    HA3  GLY  81           2HA      GLY  81  10.935 -10.074  -1.705
  627    H    LYS  82           H        LYS  82   8.414 -10.740  -3.812
  628    HA   LYS  82           HA       LYS  82  10.045  -9.820  -6.084
  629    HB2  LYS  82           1HB      LYS  82   8.526 -12.339  -5.577
  630    HB3  LYS  82           2HB      LYS  82   8.761 -11.791  -7.225
  631    HG2  LYS  82           1HG      LYS  82  10.919 -12.434  -5.231
  632    HG3  LYS  82           2HG      LYS  82  10.453 -13.408  -6.624
  633    HD2  LYS  82           1HD      LYS  82  11.691 -10.654  -6.671
  634    HD3  LYS  82           2HD      LYS  82  12.458 -12.166  -7.150
  635    HE2  LYS  82           1HE      LYS  82  10.856 -12.410  -8.978
  636    HE3  LYS  82           2HE      LYS  82  10.059 -10.917  -8.489
  637    HZ1  LYS  82           3HZ      LYS  82  12.864 -11.148  -9.434
  638    HZ2  LYS  82           1HZ      LYS  82  12.097  -9.717  -8.964
  639    HZ3  LYS  82           2HZ      LYS  82  11.563 -10.549 -10.334
  640    H    GLU  83           H        GLU  83   7.579  -8.821  -4.524
  641    HA   GLU  83           HA       GLU  83   5.864  -7.432  -4.994
  642    HB2  GLU  83           1HB      GLU  83   7.494  -6.652  -6.789
  643    HB3  GLU  83           2HB      GLU  83   6.606  -7.670  -7.908
  644    HG2  GLU  83           1HG      GLU  83   4.572  -6.355  -7.436
  645    HG3  GLU  83           2HG      GLU  83   5.529  -5.302  -6.394
  646    H    VAL  84           H        VAL  84   3.738  -7.336  -6.282
  647    HA   VAL  84           HA       VAL  84   3.040  -9.818  -7.590
  648    HB   VAL  84           HB       VAL  84   2.475  -9.882  -5.060
  649   HG11  VAL  84          1HG1      VAL  84   0.363  -8.054  -6.096
  650   HG12  VAL  84          2HG1      VAL  84   1.359  -7.911  -4.647
  651   HG13  VAL  84          3HG1      VAL  84   0.066  -9.117  -4.719
  652   HG21  VAL  84          3HG2      VAL  84   0.484 -11.244  -5.519
  653   HG22  VAL  84          1HG2      VAL  84   1.826 -11.598  -6.611
  654   HG23  VAL  84          2HG2      VAL  84   0.472 -10.616  -7.169
  655    H    ALA  85           H        ALA  85   2.322  -6.514  -6.726
  656    HA   ALA  85           HA       ALA  85   1.089  -6.052  -9.303
  657    HB1  ALA  85           1HB      ALA  85  -0.850  -6.768  -8.024
  658    HB2  ALA  85           2HB      ALA  85  -0.942  -5.038  -8.370
  659    HB3  ALA  85           3HB      ALA  85  -0.470  -5.595  -6.761
  660    H    LYS  86           H        LYS  86   0.666  -3.755  -9.653
  661    HA   LYS  86           HA       LYS  86   1.916  -1.970  -7.747
  662    HB2  LYS  86           1HB      LYS  86   3.758  -2.648  -9.199
  663    HB3  LYS  86           2HB      LYS  86   2.822  -2.224 -10.622
  664    HG2  LYS  86           1HG      LYS  86   3.568  -0.144 -10.542
  665    HG3  LYS  86           2HG      LYS  86   2.990   0.043  -8.886
  666    HD2  LYS  86           1HD      LYS  86   5.053  -1.012  -8.064
  667    HD3  LYS  86           2HD      LYS  86   5.627  -1.161  -9.724
  668    HE2  LYS  86           1HE      LYS  86   4.869   1.494  -8.532
  669    HE3  LYS  86           2HE      LYS  86   6.486   0.812  -8.347
  670    HZ1  LYS  86           3HZ      LYS  86   5.169   1.309 -10.963
  671    HZ2  LYS  86           1HZ      LYS  86   6.768   0.816 -10.707
  672    HZ3  LYS  86           2HZ      LYS  86   6.273   2.361 -10.229
  673    H    VAL  87           H        VAL  87   0.309  -0.550  -7.383
  674    HA   VAL  87           HA       VAL  87  -0.888   0.726  -9.754
  675    HB   VAL  87           HB       VAL  87  -2.258   0.568  -7.062
  676   HG11  VAL  87          1HG1      VAL  87  -3.222   1.322  -9.826
  677   HG12  VAL  87          2HG1      VAL  87  -2.896   2.433  -8.493
  678   HG13  VAL  87          3HG1      VAL  87  -4.219   1.268  -8.372
  679   HG21  VAL  87          3HG2      VAL  87  -2.025  -1.706  -8.025
  680   HG22  VAL  87          1HG2      VAL  87  -2.853  -1.147  -9.479
  681   HG23  VAL  87          2HG2      VAL  87  -3.703  -1.164  -7.928
  682    H    VAL  88           H        VAL  88  -0.611   2.873  -9.894
  683    HA   VAL  88           HA       VAL  88   0.637   4.176  -7.571
  684    HB   VAL  88           HB       VAL  88   1.679   4.640 -10.344
  685   HG11  VAL  88          1HG1      VAL  88   3.770   5.112  -9.015
  686   HG12  VAL  88          2HG1      VAL  88   2.768   4.992  -7.565
  687   HG13  VAL  88          3HG1      VAL  88   2.429   6.235  -8.772
  688   HG21  VAL  88          3HG2      VAL  88   2.752   2.541  -8.471
  689   HG22  VAL  88          1HG2      VAL  88   3.332   2.924 -10.090
  690   HG23  VAL  88          2HG2      VAL  88   1.736   2.189  -9.872
  691    H    GLY  89           H        GLY  89  -1.466   5.230  -7.341
  692    HA2  GLY  89           1HA      GLY  89  -1.426   7.834  -7.748
  693    HA3  GLY  89           2HA      GLY  89  -1.961   7.313  -9.336
  694    H    ALA  90           H        ALA  90  -2.774   7.114  -5.889
  695    HA   ALA  90           HA       ALA  90  -4.770   7.184  -4.788
  696    HB1  ALA  90           1HB      ALA  90  -5.587   8.816  -7.189
  697    HB2  ALA  90           2HB      ALA  90  -4.741   9.429  -5.766
  698    HB3  ALA  90           3HB      ALA  90  -6.384   8.807  -5.616
  699    H    ASN  91           H        ASN  91  -5.160   4.902  -5.026
  700    HA   ASN  91           HA       ASN  91  -7.289   4.302  -6.962
  701    HB2  ASN  91           1HB      ASN  91  -6.377   1.987  -7.078
  702    HB3  ASN  91           2HB      ASN  91  -5.295   3.207  -7.740
  703   HD21  ASN  91          1HD2      ASN  91  -5.041   0.457  -6.431
  704   HD22  ASN  91          2HD2      ASN  91  -3.763   0.669  -5.292
  705    HA   PRO  92           HA       PRO  92  -9.082   2.872  -3.002
  706    HB2  PRO  92           1HB      PRO  92 -11.576   4.014  -3.922
  707    HB3  PRO  92           2HB      PRO  92 -10.634   4.448  -2.497
  708    HG2  PRO  92           1HG      PRO  92 -10.963   6.075  -4.685
  709    HG3  PRO  92           2HG      PRO  92  -9.605   6.179  -3.553
  710    HD2  PRO  92           1HD      PRO  92  -9.726   4.941  -6.269
  711    HD3  PRO  92           2HD      PRO  92  -8.398   5.828  -5.492
  712    H    ALA  93           H        ALA  93 -10.424   3.020  -6.287
  713    HA   ALA  93           HA       ALA  93 -11.903   0.549  -5.887
  714    HB1  ALA  93           1HB      ALA  93 -11.639   2.288  -8.335
  715    HB2  ALA  93           2HB      ALA  93 -12.944   2.356  -7.152
  716    HB3  ALA  93           3HB      ALA  93 -12.735   0.920  -8.152
  717    H    ALA  94           H        ALA  94  -9.200   1.751  -7.811
  718    HA   ALA  94           HA       ALA  94  -8.742  -0.674  -9.209
  719    HB1  ALA  94           1HB      ALA  94  -8.005   1.437 -10.131
  720    HB2  ALA  94           2HB      ALA  94  -6.631   0.352  -9.917
  721    HB3  ALA  94           3HB      ALA  94  -6.900   1.671  -8.782
  722    H    ILE  95           H        ILE  95  -7.891   0.363  -6.011
  723    HA   ILE  95           HA       ILE  95  -5.734  -1.377  -5.581
  724    HB   ILE  95           HB       ILE  95  -6.702   0.243  -3.838
  725   HG12  ILE  95          1HG1      ILE  95  -5.740  -0.994  -2.041
  726   HG13  ILE  95          2HG1      ILE  95  -6.213  -2.540  -2.745
  727   HG21  ILE  95          1HG2      ILE  95  -8.470  -2.118  -3.236
  728   HG22  ILE  95          2HG2      ILE  95  -9.012  -0.578  -3.918
  729   HG23  ILE  95          3HG2      ILE  95  -8.341  -0.630  -2.289
  730   HD11  ILE  95          3HD1      ILE  95  -4.527  -2.389  -4.397
  731   HD12  ILE  95          1HD1      ILE  95  -3.781  -2.004  -2.851
  732   HD13  ILE  95          2HD1      ILE  95  -4.175  -0.712  -3.985
  733    H    LYS  96           H        LYS  96  -9.193  -1.866  -5.710
  734    HA   LYS  96           HA       LYS  96  -9.252  -4.509  -4.795
  735    HB2  LYS  96           1HB      LYS  96 -11.062  -3.037  -6.695
  736    HB3  LYS  96           2HB      LYS  96 -11.349  -4.712  -6.245
  737    HG2  LYS  96           1HG      LYS  96 -11.195  -2.381  -4.356
  738    HG3  LYS  96           2HG      LYS  96 -12.670  -3.178  -4.897
  739    HD2  LYS  96           1HD      LYS  96 -10.442  -4.540  -3.373
  740    HD3  LYS  96           2HD      LYS  96 -11.913  -3.894  -2.637
  741    HE2  LYS  96           1HE      LYS  96 -11.814  -6.053  -4.747
  742    HE3  LYS  96           2HE      LYS  96 -12.055  -6.319  -3.021
  743    HZ1  LYS  96           3HZ      LYS  96 -14.154  -6.339  -4.208
  744    HZ2  LYS  96           1HZ      LYS  96 -13.868  -4.784  -4.807
  745    HZ3  LYS  96           2HZ      LYS  96 -14.096  -5.022  -3.151
  746    H    GLN  97           H        GLN  97  -8.644  -3.165  -7.984
  747    HA   GLN  97           HA       GLN  97  -8.469  -5.438  -9.534
  748    HB2  GLN  97           1HB      GLN  97  -8.224  -3.200 -10.455
  749    HB3  GLN  97           2HB      GLN  97  -6.739  -2.955  -9.557
  750    HG2  GLN  97           1HG      GLN  97  -6.784  -5.244 -11.427
  751    HG3  GLN  97           2HG      GLN  97  -6.812  -3.634 -12.139
  752   HE21  GLN  97          1HE2      GLN  97  -4.927  -5.981 -10.452
  753   HE22  GLN  97          2HE2      GLN  97  -3.422  -5.120 -10.489
  754    H    ALA  98           H        ALA  98  -5.791  -3.902  -7.746
  755    HA   ALA  98           HA       ALA  98  -4.049  -6.131  -8.172
  756    HB1  ALA  98           1HB      ALA  98  -3.788  -3.775  -6.299
  757    HB2  ALA  98           2HB      ALA  98  -3.137  -3.881  -7.933
  758    HB3  ALA  98           3HB      ALA  98  -2.494  -4.923  -6.659
  759    H    ILE  99           H        ILE  99  -6.158  -5.145  -5.671
  760    HA   ILE  99           HA       ILE  99  -4.978  -6.720  -3.626
  761    HB   ILE  99           HB       ILE  99  -6.730  -4.589  -3.684
  762   HG12  ILE  99          1HG1      ILE  99  -5.155  -4.805  -1.972
  763   HG13  ILE  99          2HG1      ILE  99  -6.714  -4.943  -1.161
  764   HG21  ILE  99          1HG2      ILE  99  -8.248  -6.775  -2.321
  765   HG22  ILE  99          2HG2      ILE  99  -8.618  -6.218  -3.952
  766   HG23  ILE  99          3HG2      ILE  99  -8.728  -5.094  -2.594
  767   HD11  ILE  99          3HD1      ILE  99  -4.646  -7.001  -1.611
  768   HD12  ILE  99          1HD1      ILE  99  -6.340  -7.509  -1.673
  769   HD13  ILE  99          2HD1      ILE  99  -5.694  -6.727  -0.218
  770    H    ALA 100           H        ALA 100  -7.781  -7.148  -5.704
  771    HA   ALA 100           HA       ALA 100  -8.539  -9.518  -4.231
  772    HB1  ALA 100           1HB      ALA 100 -10.304  -7.993  -4.927
  773    HB2  ALA 100           2HB      ALA 100 -10.514  -9.573  -5.681
  774    HB3  ALA 100           3HB      ALA 100  -9.863  -8.229  -6.618
  775    H    ALA 101           H        ALA 101  -7.112  -8.646  -7.313
  776    HA   ALA 101           HA       ALA 101  -7.342 -11.277  -8.420
  777    HB1  ALA 101           1HB      ALA 101  -5.566  -8.991  -9.266
  778    HB2  ALA 101           2HB      ALA 101  -7.196  -9.309  -9.860
  779    HB3  ALA 101           3HB      ALA 101  -5.897 -10.452 -10.199
  780    H    ASN 102           H        ASN 102  -4.817  -9.453  -6.724
  781    HA   ASN 102           HA       ASN 102  -2.914 -11.588  -7.268
  782    HB2  ASN 102           1HB      ASN 102  -2.628  -8.943  -5.873
  783    HB3  ASN 102           2HB      ASN 102  -1.311 -10.102  -6.012
  784   HD21  ASN 102          1HD2      ASN 102  -3.130  -7.703  -7.541
  785   HD22  ASN 102          2HD2      ASN 102  -2.356  -7.753  -9.092
  786    H    ALA 103           H        ALA 103  -4.088 -10.048  -4.261
  787    HA   ALA 103           HA       ALA 103  -3.051 -11.722  -2.382
  788    HB1  ALA 103           1HB      ALA 103  -4.847 -11.169  -0.931
  789    HB2  ALA 103           2HB      ALA 103  -5.928 -10.851  -2.285
  790    HB3  ALA 103           3HB      ALA 103  -4.578  -9.767  -1.967