*HEADER    HYDROLASE                               04-FEB-17   5X39              
*TITLE     SOLUTION STRUCTURE OF THE FAMILY 1 CARBOHYDRATE-BINDING MODULE Q2A    
*TITLE    2 MUTANT WITH MANNOSYLATED SER3                                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: EXOGLUCANASE 1;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 478-513;                                      
*COMPND   5 SYNONYM: 1,4-BETA-CELLOBIOHYDROLASE,EXOCELLOBIOHYDROLASE I,CBHI,     
*COMPND   6 EXOGLUCANASE I;                                                      
*COMPND   7 EC: 3.2.1.91;                                                        
*COMPND   8 ENGINEERED: YES;                                                     
*COMPND   9 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HYPOCREA JECORINA;                              
*SOURCE   4 ORGANISM_TAXID: 51453                                                
*KEYWDS    CARBOHYDRATE BINDING, STRUCTURE SUN SEP 11 11:18:43 2016, HYDROLASE   
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    Y.FENG,Z.TAN                                                          
*REVDAT   1   31-MAY-17 5X39    0                                                
# Restraints file 1: all.tbl
assign (resid   24 and name   HN) (resid   36 and name   HN) 2.65 0.85 0.85 ! 0.9982    0:1  Long   2.65, 2.75 A
assign (resid    5 and name   HN) (resid    6 and name   HN) 3.15 1.35 1.35 ! 0.9538    1:1  Seq    2.49, 2.58 A
assign (resid   13 and name   HN) (resid   12 and name   HN) 2.65 0.85 0.85 ! 0.9992    2:1  Seq    2.15, 2.32 A
assign (resid    5 and name  HD*) (resid    5 and name   HN) 3.15 1.35 1.35 ! 0.0000    3:1  Intra  3.37, 4.19 A
assign (resid    4 and name  HD2) (resid    5 and name   HN) 2.65 0.85 0.85 ! 0.9826    4:1  Seq    2.14, 2.36 A
assign (resid    4 and name  HD2) (resid   36 and name   HN) 3.65 1.85 1.85 ! 0.5218    5:1  Ambig  3.89, 4.24 A
    or (resid    4 and name  HD2) (resid    6 and name   HN)                ! 0.1877    5:1  -----  4.61, 4.79 A
    or (resid   26 and name HE22) (resid   36 and name   HN)                ! 0.1528    5:1  -----  4.77, 5.33 A
assign (resid   33 and name   HA) (resid   34 and name   HN) 3.15 1.35 1.35 ! 0.9898    6:1  Seq    2.21, 2.27 A
assign (resid   35 and name   HA) (resid   36 and name   HN) 3.15 1.35 1.35 ! 0.9971    7:1  Seq    2.01, 2.05 A
assign (resid    1 and name   HB) (resid    2 and name   HN) 3.65 1.85 1.85 ! 0.0000    9:1  Seq    2.14, 2.73 A
assign (resid    5 and name   HA) (resid    5 and name   HN) 2.65 0.85 0.85 ! 0.5022   10:1  Ambig  2.17, 2.20 A
    or (resid    4 and name   HA) (resid    5 and name   HN)                ! 0.4959   10:1  -----  2.17, 2.21 A
assign (resid   24 and name   HB) (resid   24 and name   HN) 3.65 1.85 1.85 ! 0.0000   11:1  Intra  3.46, 3.51 A
assign (resid   11 and name   HA) (resid   12 and name   HN) 2.30 0.50 0.50 ! 0.9995   12:1  Seq    2.03, 2.05 A
assign (resid    1 and name   HA) (resid    2 and name   HN) 3.15 1.35 1.35 ! 0.9733   13:1  Seq    2.22, 2.39 A
assign (resid    4 and name   HA) (resid    4 and name   HN) 3.15 1.35 1.35 ! 0.4512   14:1  Ambig  2.81, 2.84 A
    or (resid    5 and name   HA) (resid    6 and name   HN)                ! 0.3409   14:1  -----  2.94, 3.09 A
    or (resid    4 and name   HA) (resid    6 and name   HN)                ! 0.1821   14:1  -----  3.26, 3.35 A
assign (resid  101 and name   H2) (resid    6 and name   HN) 3.65 1.85 1.85 ! 0.7873   15:1  Ambig  3.49, 4.20 A
    or (resid  101 and name   H2) (resid    4 and name   HN)                ! 0.2127   15:1  -----  4.34, 5.90 A
assign (resid    3 and name  HB2) (resid    4 and name   HN) 3.15 1.35 1.35 ! 0.9766   16:1  Seq    2.17, 2.45 A
assign (resid   23 and name   HB) (resid   24 and name   HN) 2.65 0.85 0.85 ! 0.9580   17:1  Seq    2.61, 2.79 A
assign (resid   12 and name  HA2) (resid   12 and name   HN) 2.65 0.85 0.85 ! 0.9960   18:1  Intra  2.42, 2.45 A
assign (resid   33 and name  HB1) (resid   34 and name   HN) 2.65 0.85 0.85 ! 0.8396   19:1  Seq    3.00, 3.12 A
assign (resid    3 and name  HB1) (resid    4 and name   HN) 3.15 1.35 1.35 ! 0.9139   20:1  Seq    3.56, 3.70 A
assign (resid    6 and name  HA1) (resid    6 and name   HN) 2.65 0.85 0.85 ! 0.9292   21:1  Intra  2.32, 2.37 A
assign (resid   35 and name  HB1) (resid    5 and name   HN) 3.15 1.35 1.35 ! 0.8481   22:1  Long   3.10, 3.29 A
assign (resid    4 and name  HB1) (resid    5 and name   HN) 3.15 1.35 1.35 ! 0.5677   23:1  Ambig  3.91, 4.02 A
    or (resid    5 and name  HB1) (resid    5 and name   HN)                ! 0.4223   23:1  -----  4.10, 4.13 A
assign (resid   25 and name  HB2) (resid   26 and name   HN) 3.15 1.35 1.35 ! 0.7136   24:1  Ambig  4.27, 4.35 A
    or (resid   35 and name  HB1) (resid   26 and name   HN)                ! 0.1793   24:1  -----  5.37, 5.49 A
assign (resid   35 and name  HB1) (resid   36 and name   HN) 2.65 0.85 0.85 ! 0.4943   25:1  Ambig  3.56, 3.63 A
    or (resid   35 and name  HB1) (resid    6 and name   HN)                ! 0.3221   25:1  -----  3.83, 4.03 A
assign (resid    4 and name  HB1) (resid    4 and name   HN) 2.65 0.85 0.85 ! 0.9821   26:1  Intra  2.44, 2.65 A
assign (resid    5 and name  HB1) (resid    6 and name   HN) 3.15 1.35 1.35 ! 0.9434   27:1  Seq    4.23, 4.35 A
assign (resid   35 and name  HB2) (resid    5 and name   HN) 3.15 1.35 1.35 ! 0.8182   28:1  Long   4.10, 4.27 A
assign (resid   25 and name  HB1) (resid   26 and name   HN) 3.15 1.35 1.35 ! 0.5094   29:1  Ambig  4.23, 4.31 A
    or (resid   13 and name  HB1) (resid   12 and name   HN)                ! 0.4512   29:1  -----  4.32, 4.48 A
assign (resid   33 and name  HB2) (resid   34 and name   HN) 3.15 1.35 1.35 ! 0.4981   30:1  Ambig  3.92, 4.00 A
    or (resid   13 and name  HB2) (resid   12 and name   HN)                ! 0.1609   30:1  -----  4.73, 4.95 A
    or (resid    8 and name  HB1) (resid   26 and name   HN)                ! 0.1468   30:1  -----  4.81, 5.13 A
assign (resid   35 and name  HB2) (resid    6 and name   HN) 3.15 1.35 1.35 ! 0.6096   31:1  Ambig  3.84, 4.06 A
    or (resid   35 and name  HB2) (resid   36 and name   HN)                ! 0.2780   31:1  -----  4.38, 4.44 A
assign (resid    4 and name  HB2) (resid    4 and name   HN) 2.65 0.85 0.85 ! 0.9946   32:1  Intra  2.24, 2.36 A
assign (resid   26 and name  HG1) (resid   26 and name   HN) 3.15 1.35 1.35 ! 0.8939   33:1  Intra  4.27, 4.33 A
assign (resid   26 and name  HG2) (resid   26 and name   HN) 3.65 1.85 1.85 ! 0.4793   34:1  Ambig  4.50, 4.52 A
    or (resid    7 and name  HG1) (resid   34 and name   HN)                ! 0.2682   34:1  -----  4.96, 5.21 A
    or (resid   26 and name  HG2) (resid   34 and name   HN)                ! 0.1888   34:1  -----  5.26, 5.46 A
assign (resid   26 and name  HB1) (resid   26 and name   HN) 2.65 0.85 0.85 ! 0.7768   35:1  Ambig  2.70, 2.78 A
    or (resid   26 and name  HB1) (resid   34 and name   HN)                ! 0.1435   35:1  -----  3.58, 3.76 A
assign (resid   26 and name  HB2) (resid   26 and name   HN) 2.65 0.85 0.85 ! 0.9369   36:1  Intra  2.49, 2.56 A
assign (resid   16 and name  HB2) (resid    2 and name   HN) 3.65 1.85 1.85 ! 0.5359   37:1  Ambig  2.46, 2.97 A
    or (resid   28 and name   HG) (resid   34 and name   HN)                ! 0.4518   37:1  -----  2.53, 2.86 A
assign (resid   34 and name  HB2) (resid   34 and name   HN) 3.15 1.35 1.35 ! 0.8541   38:1  Intra  3.00, 3.16 A
assign (resid   36 and name  HB*) (resid   36 and name   HN) 2.65 0.85 0.85 ! 0.9861   39:1  Intra  2.50, 3.10 A
assign (resid   24 and name HG2*) (resid   24 and name   HN) 3.15 1.35 1.35 ! 0.0000   41:1  Intra  3.75, 4.32 A
assign (resid    1 and name HG2*) (resid    2 and name   HN) 3.65 1.85 1.85 ! 0.0000   42:1  Seq    2.07, 4.16 A
assign (resid    2 and name  HB*) (resid    2 and name   HN) 2.65 0.85 0.85 ! 0.9984   43:1  Intra  2.45, 2.94 A
assign (resid   20 and name  HB*) (resid    4 and name   HN) 3.15 1.35 1.35 ! 0.0000   44:1  Long   3.77, 4.75 A
assign (resid   11 and name HG2*) (resid   12 and name   HN) 2.65 0.85 0.85 ! 0.8913   45:1  Seq    3.16, 3.71 A
assign (resid   23 and name HG2*) (resid   24 and name   HN) 3.15 1.35 1.35 ! 0.7351   46:1  Ambig  3.40, 4.31 A
    or (resid   23 and name HG2*) (resid    5 and name   HN)                ! 0.2649   46:1  -----  4.04, 4.73 A
assign (resid   23 and name HG2*) (resid    4 and name   HN) 3.65 1.85 1.85 ! 0.8281   47:1  Long   3.04, 4.05 A
assign (resid   23 and name   HN) (resid   22 and name   HN) 2.65 0.85 0.85 ! 0.0000   48:1  Seq    1.98, 2.13 A
assign (resid   32 and name   HN) (resid   31 and name   HN) 2.30 0.50 0.50 ! 0.9340   49:1  Seq    2.08, 2.13 A
assign (resid   31 and name  HD*) (resid   31 and name   HN) 2.65 0.85 0.85 ! 0.9937   50:1  Intra  2.31, 3.78 A
assign (resid   18 and name   HN) (resid   17 and name   HN) 2.65 0.85 0.85 ! 0.9978   51:1  Seq    2.00, 2.17 A
assign (resid   32 and name  HE*) (resid    7 and name   HN) 3.65 1.85 1.85 ! 0.0000   52:1  Long   3.75, 5.48 A
assign (resid   33 and name   HA) (resid   28 and name   HN) 3.15 1.35 1.35 ! 0.9418   53:1  Long   1.98, 2.19 A
assign (resid   15 and name   HN) (resid   14 and name   HN) 3.65 1.85 1.85 ! 0.9823   54:1  Seq    2.10, 2.42 A
assign (resid   21 and name   HA) (resid   22 and name   HN) 2.65 0.85 0.85 ! 0.0000   55:1  Seq    2.12, 2.19 A
assign (resid   18 and name   HA) (resid   19 and name   HN) 2.65 0.85 0.85 ! 0.0000   56:1  Seq    2.13, 2.17 A
assign (resid    9 and name  HA2) (resid   10 and name   HN) 3.15 1.35 1.35 ! 0.9133   57:1  Seq    2.94, 3.37 A
assign (resid   21 and name   HA) (resid   21 and name   HN) 3.15 1.35 1.35 ! 0.0000   58:1  Intra  2.82, 2.85 A
assign (resid    6 and name  HA2) (resid    7 and name   HN) 3.15 1.35 1.35 ! 0.7769   59:1  Ambig  2.26, 2.42 A
    or (resid    7 and name   HA) (resid    7 and name   HN)                ! 0.2191   59:1  -----  2.80, 2.83 A
assign (resid   31 and name   HA) (resid   11 and name   HN) 3.15 1.35 1.35 ! 0.0000   60:1  Long   1.85, 2.02 A
assign (resid   21 and name  HB*) (resid   22 and name   HN) 3.65 1.85 1.85 ! 0.0000   61:1  Seq    3.19, 3.88 A
assign (resid   24 and name   HB) (resid   25 and name   HN) 3.15 1.35 1.35 ! 0.0000   62:1  Seq    2.91, 3.04 A
assign (resid   30 and name  HD1) (resid   31 and name   HN) 3.65 1.85 1.85 ! 0.8334   63:1  Seq    3.70, 3.80 A
assign (resid   27 and name   HA) (resid   28 and name   HN) 2.30 0.50 0.50 ! 0.8531   64:1  Seq    2.03, 2.10 A
assign (resid   10 and name  HA1) (resid   10 and name   HN) 2.65 0.85 0.85 ! 0.9670   65:1  Intra  2.34, 2.41 A
assign (resid    9 and name  HA1) (resid   10 and name   HN) 2.65 0.85 0.85 ! 0.9825   66:1  Seq    2.82, 2.89 A
assign (resid    3 and name  HB1) (resid    3 and name   HN) 3.15 1.35 1.35 ! 0.0000   67:1  Intra  2.56, 2.76 A
assign (resid   20 and name   HA) (resid   21 and name   HN) 2.65 0.85 0.85 ! 0.9946   68:1  Seq    2.56, 2.66 A
assign (resid   21 and name  HB*) (resid   21 and name   HN) 2.65 0.85 0.85 ! 0.0000   70:1  Intra  2.37, 3.02 A
assign (resid   11 and name   HA) (resid   11 and name   HN) 2.65 0.85 0.85 ! 0.5018   71:1  Ambig  2.70, 2.74 A
    or (resid   10 and name  HA1) (resid   11 and name   HN)                ! 0.4982   71:1  -----  2.71, 2.76 A
assign (resid   22 and name  HA2) (resid   22 and name   HN) 2.65 0.85 0.85 ! 0.0000   72:1  Intra  2.34, 2.38 A
assign (resid   30 and name  HD2) (resid   31 and name   HN) 3.15 1.35 1.35 ! 0.9843   73:1  Seq    2.38, 2.52 A
assign (resid   19 and name  HB1) (resid   19 and name   HN) 3.15 1.35 1.35 ! 0.0000   74:1  Intra  3.59, 3.63 A
assign (resid   33 and name  HB1) (resid   10 and name   HN) 3.15 1.35 1.35 ! 0.4285   75:1  Ambig  3.47, 3.63 A
    or (resid   33 and name  HB1) (resid   28 and name   HN)                ! 0.3416   75:1  -----  3.60, 4.02 A
    or (resid   33 and name  HB1) (resid   27 and name   HN)                ! 0.1869   75:1  -----  3.98, 4.33 A
assign (resid  101 and name   H5) (resid    3 and name   HN) 3.65 1.85 1.85 ! 0.9736   76:1  Long   1.84, 2.66 A
assign (resid   14 and name  HB1) (resid   14 and name   HN) 3.15 1.35 1.35 ! 0.9902   77:1  Intra  2.82, 2.96 A
assign (resid    6 and name  HA1) (resid    7 and name   HN) 2.65 0.85 0.85 ! 0.9815   78:1  Seq    2.62, 2.80 A
assign (resid   25 and name  HB2) (resid   25 and name   HN) 2.65 0.85 0.85 ! 0.9922   79:1  Intra  2.60, 2.66 A
assign (resid   31 and name  HB1) (resid   31 and name   HN) 3.15 1.35 1.35 ! 0.9852   80:1  Intra  3.57, 3.61 A
assign (resid   25 and name  HB2) (resid   19 and name   HN) 3.65 1.85 1.85 ! 0.9163   81:1  Long   3.83, 4.20 A
assign (resid   29 and name  HB*) (resid   29 and name   HN) 3.15 1.35 1.35 ! 0.5593   82:1  Ambig  2.70, 3.33 A
    or (resid   29 and name  HB*) (resid   31 and name   HN)                ! 0.4218   82:1  -----  2.83, 3.15 A
assign (resid   35 and name  HB1) (resid   35 and name   HN) 2.65 0.85 0.85 ! 0.0000   83:1  Intra  3.07, 3.11 A
assign (resid   25 and name  HB1) (resid   25 and name   HN) 2.65 0.85 0.85 ! 0.0000   84:1  Intra  2.55, 2.58 A
assign (resid   31 and name  HB2) (resid   31 and name   HN) 2.65 0.85 0.85 ! 0.9970   85:1  Intra  2.32, 2.39 A
assign (resid   33 and name  HB2) (resid   10 and name   HN) 3.15 1.35 1.35 ! 0.9577   86:1  Long   1.80, 1.96 A
assign (resid   35 and name  HB2) (resid   35 and name   HN) 2.65 0.85 0.85 ! 0.0000   87:1  Intra  2.69, 2.74 A
assign (resid    8 and name  HB1) (resid   35 and name   HN) 3.65 1.85 1.85 ! 0.7806   88:1  Ambig  3.15, 3.46 A
    or (resid   13 and name  HB2) (resid   14 and name   HN)                ! 0.1484   88:1  -----  4.16, 4.40 A
assign (resid   32 and name  HB1) (resid   29 and name   HN) 3.65 1.85 1.85 ! 0.7662   89:1  Ambig  3.26, 3.51 A
    or (resid   32 and name  HB1) (resid   31 and name   HN)                ! 0.1132   89:1  -----  4.48, 4.63 A
assign (resid   19 and name  HB2) (resid   19 and name   HN) 2.65 0.85 0.85 ! 0.5623   90:1  Ambig  2.44, 2.50 A
    or (resid   26 and name  HG2) (resid   27 and name   HN)                ! 0.2284   90:1  -----  2.84, 3.14 A
    or (resid    7 and name  HG1) (resid   10 and name   HN)                ! 0.1943   90:1  -----  2.91, 3.06 A
assign (resid   26 and name  HB1) (resid   27 and name   HN) 3.15 1.35 1.35 ! 0.6490   91:1  Ambig  3.75, 3.88 A
    or (resid   26 and name  HB1) (resid   28 and name   HN)                ! 0.2425   91:1  -----  4.42, 4.87 A
assign (resid   34 and name  HG1) (resid   35 and name   HN) 3.15 1.35 1.35 ! 0.9481   92:1  Seq    2.57, 2.77 A
assign (resid   16 and name  HB1) (resid   17 and name   HN) 3.65 1.85 1.85 ! 0.0000   93:1  Seq    3.72, 3.94 A
assign (resid   34 and name  HG2) (resid   35 and name   HN) 2.30 0.50 0.50 ! 0.6842   94:1  Ambig  2.19, 2.56 A
    or (resid    7 and name  HB2) (resid    7 and name   HN)                ! 0.3100   94:1  -----  2.50, 2.67 A
assign (resid   28 and name  HB2) (resid   29 and name   HN) 2.30 0.50 0.50 ! 0.4485   95:1  Ambig  2.20, 2.46 A
    or (resid   28 and name  HB2) (resid   28 and name   HN)                ! 0.2745   95:1  -----  2.39, 2.49 A
    or (resid   27 and name   HB) (resid   27 and name   HN)                ! 0.2635   95:1  -----  2.40, 2.44 A
assign (resid   28 and name   HG) (resid   28 and name   HN) 2.65 0.85 0.85 ! 0.8507   96:1  Intra  2.20, 2.45 A
assign (resid   16 and name  HB2) (resid   17 and name   HN) 3.65 1.85 1.85 ! 0.0000   97:1  Seq    3.32, 3.64 A
assign (resid    7 and name  HB1) (resid    7 and name   HN) 2.65 0.85 0.85 ! 0.9981   98:1  Intra  2.33, 2.52 A
assign (resid   11 and name HG11) (resid   11 and name   HN) 2.65 0.85 0.85 ! 0.0000   99:1  Intra  1.80, 1.86 A
assign (resid   24 and name HG2*) (resid   25 and name   HN) 3.15 1.35 1.35 ! 0.0000  100:1  Seq    2.78, 3.83 A
assign (resid    2 and name  HB*) (resid    3 and name   HN) 3.15 1.35 1.35 ! 0.0000  101:1  Seq    2.69, 3.71 A
assign (resid   20 and name  HB*) (resid   21 and name   HN) 2.65 0.85 0.85 ! 0.8455  102:1  Seq    1.94, 2.95 A
assign (resid   11 and name   HB) (resid   11 and name   HN) 2.65 0.85 0.85 ! 0.0000  103:1  Intra  2.57, 2.63 A
assign (resid   18 and name HG1*) (resid   19 and name   HN) 2.65 0.85 0.85 ! 0.8869  104:1  Seq    3.06, 3.72 A
assign (resid   27 and name HG2*) (resid   27 and name   HN) 2.30 0.50 0.50 ! 0.7879  105:1  Ambig  2.21, 3.24 A
    or (resid   28 and name HD2*) (resid   28 and name   HN)                ! 0.1554  105:1  -----  2.90, 4.15 A
assign (resid   27 and name HG1*) (resid   29 and name   HN) 2.65 0.85 0.85 ! 0.5785  106:1  Ambig  2.99, 3.84 A
    or (resid   27 and name HG1*) (resid   28 and name   HN)                ! 0.3172  106:1  -----  3.31, 4.01 A
assign (resid   11 and name HG2*) (resid   11 and name   HN) 3.15 1.35 1.35 ! 0.9025  107:1  Intra  4.37, 4.51 A
assign (resid   11 and name HD1*) (resid   11 and name   HN) 3.15 1.35 1.35 ! 0.0000  108:1  Intra  3.68, 4.22 A
assign (resid   12 and name   HN) (resid   13 and name   HN) 2.65 0.85 0.85 ! 0.0000  109:1  Seq    2.15, 2.32 A
assign (resid   22 and name   HN) (resid   23 and name   HN) 2.65 0.85 0.85 ! 0.0000  110:1  Seq    1.98, 2.13 A
assign (resid   31 and name   HN) (resid   32 and name   HN) 2.30 0.50 0.50 ! 0.9923  111:1  Seq    2.08, 2.13 A
assign (resid   29 and name   HN) (resid   29 and name HD21) 2.65 0.85 0.85 ! 0.5489  112:1  Ambig  3.06, 3.65 A
    or (resid   29 and name   HN) (resid   32 and name   HN)                ! 0.2990  112:1  -----  3.38, 3.54 A
assign (resid    9 and name   HN) (resid    8 and name   HN) 2.65 0.85 0.85 ! 0.0000  116:1  Seq    2.05, 2.19 A
assign (resid   21 and name   HA) (resid   23 and name   HN) 3.65 1.85 1.85 ! 0.0000  118:1  Mid    3.35, 3.59 A
assign (resid    7 and name   HA) (resid    8 and name   HN) 3.15 1.35 1.35 ! 0.9963  119:1  Seq    2.15, 2.20 A
assign (resid   10 and name  HA1) (resid   32 and name   HN) 3.65 1.85 1.85 ! 0.7825  121:1  Ambig  3.63, 3.74 A
    or (resid   10 and name  HA1) (resid   13 and name   HN)                ! 0.2015  121:1  -----  4.55, 4.69 A
assign (resid   11 and name   HA) (resid   13 and name   HN) 3.15 1.35 1.35 ! 0.9753  122:1  Mid    3.40, 3.48 A
assign (resid   20 and name   HA) (resid   20 and name   HN) 3.15 1.35 1.35 ! 0.9784  123:1  Intra  2.81, 2.85 A
assign (resid   22 and name  HA2) (resid   23 and name   HN) 3.15 1.35 1.35 ! 0.0000  124:1  Seq    2.94, 3.01 A
assign (resid   12 and name  HA2) (resid   13 and name   HN) 3.15 1.35 1.35 ! 0.0000  125:1  Seq    3.25, 3.37 A
assign (resid   19 and name  HB1) (resid   20 and name   HN) 3.15 1.35 1.35 ! 0.0000  126:1  Seq    1.94, 2.13 A
assign (resid   31 and name  HB1) (resid   32 and name   HN) 3.65 1.85 1.85 ! 0.8946  127:1  Seq    3.72, 3.79 A
assign (resid   29 and name  HB*) (resid   32 and name   HN) 2.30 0.50 0.50 ! 0.6149  128:1  Ambig  2.01, 2.82 A
    or (resid   29 and name  HB*) (resid   29 and name HD21)                ! 0.3851  128:1  -----  2.17, 2.75 A
assign (resid   25 and name  HB2) (resid    8 and name   HN) 4.15 2.35 2.35 ! 0.0000  129:1  Long   5.73, 5.84 A
assign (resid    8 and name  HB2) (resid    8 and name   HN) 3.65 1.85 1.85 ! 0.9597  130:1  Intra  3.73, 3.78 A
assign (resid    5 and name  HB2) (resid   34 and name HE21) 3.65 1.85 1.85 ! 0.0000  131:1  Long   4.07, 4.97 A
assign (resid    5 and name  HB1) (resid   34 and name HE21) 3.15 1.35 1.35 ! 0.0000  132:1  Long   2.71, 3.69 A
assign (resid   13 and name  HB1) (resid   13 and name   HN) 2.30 0.50 0.50 ! 0.0000  134:1  Intra  2.36, 2.48 A
assign (resid   13 and name  HB2) (resid   13 and name   HN) 2.30 0.50 0.50 ! 0.5790  135:1  Ambig  2.56, 2.66 A
    or (resid   32 and name  HB2) (resid   32 and name   HN)                ! 0.2975  135:1  -----  2.86, 2.95 A
assign (resid   35 and name  HB2) (resid   20 and name   HN) 3.65 1.85 1.85 ! 0.6907  136:1  Ambig  4.47, 4.70 A
    or (resid   35 and name  HB2) (resid    8 and name   HN)                ! 0.3093  136:1  -----  5.11, 5.28 A
assign (resid   13 and name  HB1) (resid    8 and name   HN) 4.15 2.35 2.35 ! 0.7442  137:1  Ambig  5.42, 5.65 A
    or (resid   25 and name  HB1) (resid    8 and name   HN)                ! 0.2558  137:1  -----  6.48, 6.68 A
assign (resid    8 and name  HB1) (resid    8 and name   HN) 2.65 0.85 0.85 ! 0.5211  138:1  Ambig  2.93, 3.05 A
    or (resid   33 and name  HB2) (resid    8 and name   HN)                ! 0.4557  138:1  -----  2.99, 3.14 A
assign (resid   32 and name  HB1) (resid   29 and name HD21) 2.65 0.85 0.85 ! 0.8529  139:1  Mid    1.92, 2.42 A
assign (resid    7 and name  HG1) (resid    8 and name   HN) 2.65 0.85 0.85 ! 0.8932  140:1  Seq    2.31, 2.48 A
assign (resid   34 and name  HG1) (resid   34 and name HE21) 2.65 0.85 0.85 ! 0.0000  141:1  Intra  2.18, 2.54 A
assign (resid   34 and name  HG2) (resid   34 and name HE21) 3.15 1.35 1.35 ! 0.9906  142:1  Intra  2.17, 2.98 A
assign (resid   28 and name  HB1) (resid   29 and name HD21) 3.65 1.85 1.85 ! 0.9340  144:1  Seq    2.81, 3.80 A
assign (resid   20 and name  HB*) (resid   20 and name   HN) 2.65 0.85 0.85 ! 0.9931  145:1  Intra  2.33, 2.83 A
assign (resid    2 and name  HB*) (resid   20 and name   HN) 3.65 1.85 1.85 ! 0.7478  146:1  Ambig  3.77, 4.87 A
    or (resid    2 and name  HB*) (resid    8 and name   HN)                ! 0.2522  146:1  -----  4.52, 5.45 A
assign (resid   23 and name HG2*) (resid   23 and name   HN) 3.15 1.35 1.35 ! 0.0000  147:1  Intra  3.37, 4.21 A
assign (resid   31 and name   HN) (resid   31 and name  HD*) 2.65 0.85 0.85 ! 0.9684  148:1  Intra  2.31, 3.78 A
assign (resid   17 and name   HN) (resid   18 and name   HN) 2.65 0.85 0.85 ! 0.9978  149:1  Seq    2.00, 2.17 A
assign (resid   14 and name   HN) (resid   13 and name  HD*) 3.15 1.35 1.35 ! 0.9487  150:1  Seq    3.12, 4.38 A
assign (resid   13 and name  HE*) (resid   13 and name  HD*) 2.65 0.85 0.85 ! 0.0000  161:1  Intra  2.43, 3.68 A
assign (resid   18 and name   HA) (resid   18 and name   HN) 3.65 1.85 1.85 ! 0.0000  162:1  Intra  2.85, 2.89 A
assign (resid   31 and name   HA) (resid   31 and name  HD*) 3.15 1.35 1.35 ! 0.0000  163:1  Intra  2.66, 3.49 A
assign (resid    9 and name  HA2) (resid   13 and name  HD*) 3.15 1.35 1.35 ! 0.0000  164:1  Mid    2.63, 4.98 A
assign (resid    9 and name  HA1) (resid   13 and name  HD*) 3.15 1.35 1.35 ! 0.0000  165:1  Mid    4.16, 6.17 A
assign (resid   30 and name  HD2) (resid   31 and name  HD*) 3.15 1.35 1.35 ! 0.9821  166:1  Seq    2.63, 5.05 A
assign (resid   31 and name  HB1) (resid   31 and name  HD*) 2.65 0.85 0.85 ! 0.0000  167:1  Intra  2.35, 3.05 A
assign (resid   29 and name  HB*) (resid   29 and name HD22) 2.65 0.85 0.85 ! 0.5687  168:1  Ambig  3.45, 3.71 A
    or (resid   29 and name  HB*) (resid   31 and name  HD*)                ! 0.4202  168:1  -----  3.63, 6.16 A
assign (resid   13 and name  HB1) (resid    7 and name HE21) 3.15 1.35 1.35 ! 0.9949  169:1  Long   2.97, 3.79 A
assign (resid   13 and name  HB2) (resid    7 and name HE21) 3.15 1.35 1.35 ! 0.9820  170:1  Long   1.83, 2.97 A
assign (resid   31 and name  HB2) (resid   31 and name  HD*) 2.30 0.50 0.50 ! 0.9765  172:1  Intra  2.31, 3.03 A
assign (resid   13 and name  HB1) (resid   13 and name  HD*) 2.30 0.50 0.50 ! 0.0000  173:1  Intra  2.26, 3.01 A
assign (resid   32 and name  HB1) (resid   29 and name HD22) 3.15 1.35 1.35 ! 0.9970  174:1  Mid    1.88, 3.80 A
assign (resid   26 and name  HG1) (resid   26 and name HE21) 3.15 1.35 1.35 ! 0.0000  175:1  Intra  2.16, 2.23 A
assign (resid    7 and name  HG1) (resid    7 and name HE21) 2.65 0.85 0.85 ! 0.9988  176:1  Intra  2.15, 2.28 A
assign (resid    7 and name  HG1) (resid    7 and name HE22) 3.15 1.35 1.35 ! 0.5113  177:1  Ambig  3.40, 3.46 A
    or (resid   26 and name  HG2) (resid   26 and name HE21)                ! 0.4887  177:1  -----  3.43, 3.46 A
assign (resid   18 and name   HB) (resid   18 and name   HN) 2.65 0.85 0.85 ! 0.0000  178:1  Intra  2.47, 2.53 A
assign (resid   16 and name  HB2) (resid   18 and name   HN) 3.65 1.85 1.85 ! 0.9971  179:1  Mid    2.66, 3.35 A
assign (resid    7 and name  HG2) (resid    7 and name HE21) 2.65 0.85 0.85 ! 0.0000  180:1  Intra  2.24, 2.78 A
assign (resid   11 and name   HB) (resid   31 and name  HD*) 3.15 1.35 1.35 ! 0.0000  181:1  Long   2.13, 3.58 A
assign (resid   17 and name HG2*) (resid   13 and name  HD*) 3.15 1.35 1.35 ! 0.0000  182:1  Mid    2.41, 5.50 A
assign (resid   18 and name HG2*) (resid   18 and name   HN) 2.65 0.85 0.85 ! 0.9901  183:1  Intra  2.02, 3.15 A
assign (resid   11 and name HG2*) (resid   31 and name  HD*) 3.15 1.35 1.35 ! 0.0000  184:1  Long   2.92, 5.47 A
assign (resid   11 and name HD1*) (resid   31 and name  HD*) 3.65 1.85 1.85 ! 0.0000  185:1  Long   2.91, 5.25 A
assign (resid    5 and name   HN) (resid    4 and name  HD2) 2.65 0.85 0.85 ! 0.9385  186:1  Seq    2.14, 2.36 A
assign (resid   36 and name   HN) (resid    4 and name  HD2) 3.15 1.35 1.35 ! 0.5317  187:1  Ambig  3.89, 4.24 A
    or (resid    6 and name   HN) (resid    4 and name  HD2)                ! 0.1913  187:1  -----  4.61, 4.79 A
    or (resid   36 and name   HN) (resid   26 and name HE22)                ! 0.1557  187:1  -----  4.77, 5.33 A
assign (resid    4 and name  HE1) (resid    5 and name  HE*) 3.65 1.85 1.85 ! 0.0000  189:1  Seq    2.58, 5.01 A
assign (resid   32 and name   HN) (resid   33 and name   HN) 3.15 1.35 1.35 ! 0.9147  190:1  Seq    4.17, 4.23 A
assign (resid    8 and name   HN) (resid    9 and name   HN) 2.65 0.85 0.85 ! 0.0000  192:1  Seq    2.05, 2.19 A
assign (resid   13 and name  HD*) (resid   13 and name  HE*) 2.30 0.50 0.50 ! 0.0000  198:1  Intra  2.43, 3.68 A
assign (resid   32 and name  HD*) (resid   32 and name  HE*) 2.30 0.50 0.50 ! 0.0000  199:1  Intra  2.42, 3.68 A
assign (resid    5 and name  HD*) (resid    5 and name  HE*) 2.30 0.50 0.50 ! 0.0000  200:1  Intra  2.42, 3.68 A
assign (resid   32 and name  HE*) (resid   32 and name  HD*) 2.30 0.50 0.50 ! 0.0000  201:1  Intra  2.42, 3.68 A
assign (resid    5 and name  HE*) (resid    5 and name  HD*) 2.30 0.50 0.50 ! 0.9111  202:1  Intra  2.42, 3.68 A
assign (resid    4 and name   HA) (resid    4 and name  HD2) 2.65 0.85 0.85 ! 0.6132  203:1  Ambig  2.33, 2.47 A
    or (resid    5 and name   HA) (resid    5 and name  HD*)                ! 0.3098  203:1  -----  2.61, 3.45 A
assign (resid    9 and name  HA1) (resid    9 and name   HN) 3.15 1.35 1.35 ! 0.0000  204:1  Intra  2.62, 2.74 A
assign (resid   33 and name  HB1) (resid    9 and name   HN) 3.15 1.35 1.35 ! 0.6898  205:1  Ambig  3.31, 3.90 A
    or (resid   33 and name  HB1) (resid   33 and name   HN)                ! 0.3102  205:1  -----  3.78, 3.81 A
assign (resid   15 and name  HA1) (resid   13 and name  HE*) 3.65 1.85 1.85 ! 0.0000  206:1  Mid    2.87, 3.53 A
assign (resid    5 and name  HB2) (resid    5 and name  HD*) 2.65 0.85 0.85 ! 0.9791  207:1  Intra  2.31, 3.03 A
assign (resid    5 and name  HB1) (resid    5 and name  HD*) 2.65 0.85 0.85 ! 0.9882  208:1  Intra  2.37, 3.05 A
assign (resid   35 and name  HB1) (resid    4 and name  HD2) 3.65 1.85 1.85 ! 0.9832  209:1  Long   3.13, 3.55 A
assign (resid    5 and name  HB1) (resid   34 and name HE22) 3.15 1.35 1.35 ! 0.0000  210:1  Long   3.26, 3.68 A
assign (resid   13 and name  HB2) (resid   13 and name  HD*) 2.30 0.50 0.50 ! 0.9903  211:1  Intra  2.59, 3.07 A
assign (resid   32 and name  HB2) (resid   32 and name  HD*) 2.30 0.50 0.50 ! 0.9861  212:1  Intra  2.52, 3.08 A
assign (resid    4 and name  HB2) (resid    4 and name  HD2) 3.15 1.35 1.35 ! 0.7076  213:1  Ambig  3.38, 3.61 A
    or (resid    4 and name  HB2) (resid    5 and name  HD*)                ! 0.1824  213:1  -----  4.23, 6.21 A
assign (resid   33 and name  HB2) (resid    9 and name   HN) 2.65 0.85 0.85 ! 0.8848  214:1  Long   1.86, 2.29 A
assign (resid    8 and name  HB1) (resid   13 and name  HE*) 3.15 1.35 1.35 ! 0.4199  215:1  Ambig  4.30, 6.22 A
    or (resid   32 and name  HB2) (resid   32 and name  HE*)                ! 0.2456  215:1  -----  4.70, 5.04 A
    or (resid   13 and name  HB2) (resid   13 and name  HE*)                ! 0.2316  215:1  -----  4.75, 5.03 A
assign (resid   32 and name  HB1) (resid   32 and name  HD*) 2.65 0.85 0.85 ! 0.0000  216:1  Intra  2.32, 3.05 A
assign (resid   32 and name  HB1) (resid   33 and name   HN) 3.65 1.85 1.85 ! 0.0000  217:1  Seq    4.29, 4.34 A
assign (resid    7 and name  HG1) (resid   32 and name  HD*) 3.65 1.85 1.85 ! 0.0000  218:1  Long   3.27, 4.89 A
assign (resid   34 and name  HG1) (resid   34 and name HE22) 3.15 1.35 1.35 ! 0.9777  219:1  Intra  3.45, 3.61 A
assign (resid   34 and name  HG2) (resid   34 and name HE22) 3.15 1.35 1.35 ! 0.6734  220:1  Ambig  3.45, 3.81 A
    or (resid    7 and name  HB2) (resid   33 and name   HN)                ! 0.1808  220:1  -----  4.30, 4.54 A
assign (resid    7 and name  HG1) (resid    9 and name   HN) 2.65 0.85 0.85 ! 0.0000  221:1  Mid    2.22, 2.67 A
assign (resid    7 and name  HG1) (resid   32 and name  HE*) 3.65 1.85 1.85 ! 0.8967  222:1  Long   3.39, 5.19 A
assign (resid   34 and name  HG1) (resid   32 and name  HE*) 3.65 1.85 1.85 ! 0.9501  223:1  Mid    3.76, 4.70 A
assign (resid    7 and name  HB2) (resid   32 and name  HE*) 2.65 0.85 0.85 ! 0.9812  224:1  Long   2.02, 4.11 A
assign (resid   28 and name  HB2) (resid   32 and name  HD*) 3.15 1.35 1.35 ! 0.9800  225:1  Mid    2.25, 4.30 A
assign (resid   28 and name  HB1) (resid   32 and name  HD*) 3.15 1.35 1.35 ! 0.5132  226:1  Ambig  3.26, 5.55 A
    or (resid   28 and name   HG) (resid   32 and name  HD*)                ! 0.4868  226:1  -----  3.29, 5.36 A
assign (resid   34 and name  HB1) (resid   32 and name  HE*) 3.15 1.35 1.35 ! 0.7722  227:1  Ambig  3.15, 4.79 A
    or (resid   28 and name  HB2) (resid   32 and name  HE*)                ! 0.2278  227:1  -----  3.86, 5.59 A
assign (resid    7 and name  HB1) (resid   13 and name  HE*) 3.15 1.35 1.35 ! 0.8390  228:1  Long   2.80, 4.27 A
assign (resid   36 and name  HB*) (resid   26 and name HE22) 3.65 1.85 1.85 ! 0.9521  229:1  Long   2.62, 3.69 A
assign (resid   34 and name  HB2) (resid   32 and name  HE*) 2.65 0.85 0.85 ! 0.0000  230:1  Mid    2.12, 3.51 A
assign (resid   28 and name HD1*) (resid   32 and name  HD*) 3.15 1.35 1.35 ! 0.0000  231:1  Mid    1.95, 4.95 A
assign (resid    7 and name  HG2) (resid    9 and name   HN) 2.65 0.85 0.85 ! 0.0000  232:1  Mid    2.33, 2.60 A
assign (resid   17 and name HG2*) (resid   13 and name  HE*) 2.65 0.85 0.85 ! 0.0000  233:1  Mid    2.84, 6.03 A
assign (resid   36 and name HD2*) (resid    4 and name  HD2) 2.65 0.85 0.85 ! 0.7738  234:1  Ambig  2.35, 4.07 A
    or (resid   36 and name HD2*) (resid    5 and name  HD*)                ! 0.2190  234:1  -----  2.90, 4.78 A
assign (resid   11 and name HG2*) (resid   31 and name  HE*) 3.15 1.35 1.35 ! 0.0000  235:1  Long   2.70, 5.09 A
assign (resid   36 and name HD2*) (resid    5 and name  HE*) 3.15 1.35 1.35 ! 0.0000  236:1  Long   2.96, 4.54 A
assign (resid   11 and name HD1*) (resid   31 and name  HE*) 3.15 1.35 1.35 ! 0.0000  237:1  Long   2.57, 4.85 A
assign (resid   23 and name HG2*) (resid    4 and name  HD2) 3.15 1.35 1.35 ! 0.0000  238:1  Long   2.15, 3.49 A
assign (resid   24 and name   HN) (resid   35 and name   HA) 3.15 1.35 1.35 ! 0.0000  239:1  Long   3.93, 4.03 A
assign (resid   34 and name   HN) (resid   33 and name   HA) 2.30 0.50 0.50 ! 0.9898  242:1  Seq    2.21, 2.27 A
assign (resid   26 and name   HN) (resid   35 and name   HA) 2.65 0.85 0.85 ! 0.9694  243:1  Long   2.48, 2.59 A
assign (resid   36 and name   HN) (resid   35 and name   HA) 2.30 0.50 0.50 ! 0.0000  244:1  Seq    2.01, 2.05 A
assign (resid   34 and name   HN) (resid   34 and name   HA) 3.15 1.35 1.35 ! 0.9347  245:1  Intra  2.94, 2.95 A
assign (resid   28 and name   HN) (resid   33 and name   HA) 2.65 0.85 0.85 ! 0.9467  246:1  Long   1.98, 2.19 A
assign (resid   29 and name   HN) (resid   29 and name   HA) 2.65 0.85 0.85 ! 0.9230  247:1  Intra  2.79, 2.90 A
assign (resid   14 and name   HN) (resid   15 and name   HN) 2.65 0.85 0.85 ! 0.9908  248:1  Seq    2.10, 2.42 A
assign (resid   35 and name   HN) (resid   35 and name   HA) 3.15 1.35 1.35 ! 0.0000  249:1  Intra  2.88, 2.89 A
assign (resid    3 and name   HN) (resid  101 and name   H1) 3.65 1.85 1.85 ! 0.0000  250:1  Long   2.57, 3.76 A
assign (resid   35 and name   HN) (resid   34 and name   HA) 2.30 0.50 0.50 ! 0.0000  252:1  Seq    2.30, 2.35 A
assign (resid    8 and name   HN) (resid    8 and name   HA) 3.15 1.35 1.35 ! 0.9921  253:1  Intra  2.94, 2.96 A
assign (resid   29 and name HD21) (resid   29 and name   HA) 3.65 1.85 1.85 ! 0.0000  254:1  Intra  3.98, 4.23 A
assign (resid    8 and name   HN) (resid   34 and name   HA) 2.65 0.85 0.85 ! 0.9803  255:1  Long   2.57, 2.77 A
assign (resid   13 and name  HE*) (resid    8 and name   HA) 2.65 0.85 0.85 ! 0.9591  256:1  Long   2.04, 4.09 A
assign (resid    7 and name   HA) (resid   34 and name   HA) 3.65 1.85 1.85 ! 0.9926  257:1  Long   2.10, 2.20 A
assign (resid   27 and name   HA) (resid   33 and name   HA) 2.65 0.85 0.85 ! 0.0000  258:1  Long   2.20, 2.34 A
assign (resid    3 and name  HB2) (resid  101 and name   H1) 3.15 1.35 1.35 ! 0.9931  259:1  Long   2.44, 2.88 A
assign (resid    3 and name  HB1) (resid  101 and name   H1) 2.65 0.85 0.85 ! 0.0000  260:1  Long   2.22, 2.53 A
assign (resid  101 and name   H2) (resid  101 and name   H1) 2.65 0.85 0.85 ! 0.5155  261:1  Ambig  2.49, 2.74 A
    or (resid   30 and name  HD1) (resid   29 and name   HA)                ! 0.4845  261:1  -----  2.52, 2.59 A
assign (resid   33 and name  HB1) (resid   33 and name   HA) 2.65 0.85 0.85 ! 0.0000  262:1  Intra  2.41, 2.44 A
assign (resid   15 and name  HA1) (resid   15 and name   HN) 2.65 0.85 0.85 ! 0.9961  263:1  Intra  2.25, 2.32 A
assign (resid   19 and name  HB1) (resid   35 and name   HA) 3.65 1.85 1.85 ! 0.0000  264:1  Long   5.06, 5.10 A
assign (resid   30 and name  HD2) (resid   29 and name   HA) 2.65 0.85 0.85 ! 0.0000  265:1  Seq    3.08, 3.13 A
assign (resid    8 and name  HB2) (resid    8 and name   HA) 2.65 0.85 0.85 ! 0.0000  266:1  Intra  2.39, 2.43 A
assign (resid   35 and name  HB1) (resid   35 and name   HA) 2.65 0.85 0.85 ! 0.0000  267:1  Intra  2.87, 2.90 A
assign (resid   29 and name  HB*) (resid   29 and name   HA) 2.30 0.50 0.50 ! 0.0000  268:1  Intra  2.40, 2.74 A
assign (resid   25 and name  HB2) (resid   17 and name   HA) 3.65 1.85 1.85 ! 0.5899  269:1  Ambig  4.75, 5.02 A
    or (resid   35 and name  HB1) (resid   34 and name   HA)                ! 0.3064  269:1  -----  5.30, 5.37 A
assign (resid    8 and name  HB2) (resid   17 and name   HA) 3.15 1.35 1.35 ! 0.9818  270:1  Long   2.56, 3.28 A
assign (resid    8 and name  HB1) (resid    8 and name   HA) 2.30 0.50 0.50 ! 0.9633  271:1  Intra  2.37, 2.42 A
assign (resid   35 and name  HB2) (resid   35 and name   HA) 2.65 0.85 0.85 ! 0.0000  272:1  Intra  2.89, 2.91 A
assign (resid    8 and name  HB1) (resid   34 and name   HA) 3.15 1.35 1.35 ! 0.4673  273:1  Ambig  3.63, 3.82 A
    or (resid    8 and name  HB1) (resid   17 and name   HA)                ! 0.3912  273:1  -----  3.74, 4.60 A
assign (resid   34 and name  HG1) (resid   34 and name   HA) 3.15 1.35 1.35 ! 0.0000  274:1  Intra  2.59, 2.67 A
assign (resid   34 and name  HG2) (resid   34 and name   HA) 3.15 1.35 1.35 ! 0.8857  275:1  Intra  3.01, 3.18 A
assign (resid   28 and name  HB2) (resid   33 and name   HA) 3.15 1.35 1.35 ! 0.6662  276:1  Ambig  3.59, 3.70 A
    or (resid   34 and name  HB1) (resid   33 and name   HA)                ! 0.2637  276:1  -----  4.19, 4.32 A
assign (resid   28 and name   HG) (resid   33 and name   HA) 3.15 1.35 1.35 ! 0.9756  277:1  Long   2.69, 3.26 A
assign (resid   34 and name  HB1) (resid   34 and name   HA) 2.65 0.85 0.85 ! 0.8329  278:1  Intra  3.02, 3.03 A
assign (resid   34 and name  HB2) (resid   34 and name   HA) 3.15 1.35 1.35 ! 0.9983  279:1  Intra  2.35, 2.43 A
assign (resid   17 and name HG2*) (resid   17 and name   HA) 2.65 0.85 0.85 ! 0.0000  280:1  Intra  2.36, 3.00 A
assign (resid   27 and name HG1*) (resid   33 and name   HA) 3.65 1.85 1.85 ! 0.0000  281:1  Long   3.81, 4.84 A
assign (resid   27 and name HG1*) (resid   29 and name   HA) 3.15 1.35 1.35 ! 0.0000  282:1  Mid    3.24, 4.46 A
assign (resid   24 and name   HN) (resid   23 and name   HA) 2.30 0.50 0.50 ! 0.9992  283:1  Seq    2.17, 2.24 A
assign (resid   24 and name   HN) (resid   24 and name   HA) 2.65 0.85 0.85 ! 0.8336  284:1  Intra  2.84, 2.86 A
assign (resid   36 and name   HN) (resid   23 and name   HA) 3.65 1.85 1.85 ! 0.9329  285:1  Long   4.21, 4.42 A
assign (resid    2 and name   HN) (resid   19 and name   HA) 2.65 0.85 0.85 ! 0.9092  286:1  Long   1.91, 2.18 A
assign (resid    4 and name   HN) (resid    3 and name   HA) 2.65 0.85 0.85 ! 0.9852  287:1  Seq    2.26, 2.39 A
assign (resid   26 and name   HN) (resid   25 and name   HA) 2.30 0.50 0.50 ! 0.9829  288:1  Seq    2.17, 2.22 A
assign (resid   36 and name   HN) (resid   36 and name   HA) 2.65 0.85 0.85 ! 0.6224  289:1  Ambig  2.88, 2.89 A
    or (resid   36 and name   HN) (resid   25 and name   HA)                ! 0.3296  289:1  -----  3.20, 3.34 A
assign (resid   12 and name   HN) (resid   12 and name  HA1) 2.65 0.85 0.85 ! 0.9704  290:1  Intra  2.93, 2.94 A
assign (resid    6 and name   HN) (resid    6 and name  HA2) 2.65 0.85 0.85 ! 0.9577  291:1  Intra  2.91, 2.92 A
assign (resid    2 and name   HN) (resid    1 and name   HB) 2.65 0.85 0.85 ! 0.0000  292:1  Seq    2.14, 2.73 A
assign (resid   28 and name   HN) (resid   28 and name   HA) 2.65 0.85 0.85 ! 0.7544  293:1  Ambig  2.85, 2.89 A
    or (resid   29 and name   HN) (resid   28 and name   HA)                ! 0.2456  293:1  -----  3.43, 3.49 A
assign (resid   27 and name   HN) (resid   26 and name   HA) 2.30 0.50 0.50 ! 0.9910  294:1  Seq    2.02, 2.12 A
assign (resid   22 and name   HN) (resid   24 and name   HA) 4.15 2.35 2.35 ! 0.0000  296:1  Mid    6.35, 6.51 A
assign (resid   25 and name   HN) (resid   24 and name   HA) 2.30 0.50 0.50 ! 0.9994  297:1  Seq    2.10, 2.16 A
assign (resid   31 and name   HN) (resid   31 and name   HA) 3.15 1.35 1.35 ! 0.0000  299:1  Intra  2.87, 2.89 A
assign (resid   10 and name   HN) (resid   10 and name  HA2) 2.65 0.85 0.85 ! 0.9438  300:1  Intra  2.76, 2.80 A
assign (resid   22 and name   HN) (resid   22 and name  HA1) 2.65 0.85 0.85 ! 0.0000  301:1  Intra  2.91, 2.93 A
assign (resid   10 and name   HN) (resid    9 and name  HA2) 2.65 0.85 0.85 ! 0.9168  302:1  Seq    2.94, 3.37 A
assign (resid   22 and name   HN) (resid   21 and name   HA) 2.30 0.50 0.50 ! 0.0000  303:1  Seq    2.12, 2.19 A
assign (resid   19 and name   HN) (resid   18 and name   HA) 2.30 0.50 0.50 ! 0.0000  304:1  Seq    2.13, 2.17 A
assign (resid   14 and name   HN) (resid   13 and name   HA) 2.30 0.50 0.50 ! 0.9975  307:1  Seq    2.08, 2.14 A
assign (resid    3 and name   HN) (resid    2 and name   HA) 2.30 0.50 0.50 ! 0.9938  308:1  Seq    2.01, 2.16 A
assign (resid   11 and name   HN) (resid   32 and name   HA) 3.65 1.85 1.85 ! 0.0000  310:1  Long   5.02, 5.27 A
assign (resid   17 and name   HN) (resid   16 and name   HA) 2.30 0.50 0.50 ! 0.8626  312:1  Seq    2.11, 2.16 A
assign (resid   11 and name   HN) (resid   31 and name   HA) 2.30 0.50 0.50 ! 0.0000  317:1  Long   1.85, 2.02 A
assign (resid    7 and name   HN) (resid    6 and name  HA2) 2.30 0.50 0.50 ! 0.7800  318:1  Ambig  2.26, 2.42 A
    or (resid    7 and name   HN) (resid    7 and name   HA)                ! 0.2200  318:1  -----  2.80, 2.83 A
assign (resid    3 and name   HN) (resid    6 and name  HA2) 3.65 1.85 1.85 ! 0.4544  320:1  Ambig  4.93, 5.44 A
    or (resid    3 and name   HN) (resid    1 and name   HB)                ! 0.4203  320:1  -----  5.00, 5.61 A
assign (resid   35 and name   HN) (resid    7 and name   HA) 3.15 1.35 1.35 ! 0.6160  321:1  Ambig  3.76, 3.94 A
    or (resid   35 and name   HN) (resid    6 and name  HA2)                ! 0.1668  321:1  -----  4.68, 4.78 A
    or (resid   21 and name   HN) (resid    1 and name   HB)                ! 0.1282  321:1  -----  4.89, 5.57 A
assign (resid   21 and name   HN) (resid   21 and name   HA) 2.65 0.85 0.85 ! 0.0000  322:1  Intra  2.82, 2.85 A
assign (resid   23 and name   HN) (resid   23 and name   HA) 3.15 1.35 1.35 ! 0.9918  324:1  Intra  2.90, 2.91 A
assign (resid   13 and name   HN) (resid   13 and name   HA) 3.15 1.35 1.35 ! 0.0000  325:1  Intra  2.86, 2.88 A
assign (resid   13 and name   HN) (resid   12 and name  HA1) 3.15 1.35 1.35 ! 0.8927  329:1  Seq    2.96, 3.08 A
assign (resid   23 and name   HN) (resid   22 and name  HA1) 3.15 1.35 1.35 ! 0.0000  330:1  Seq    3.33, 3.43 A
assign (resid   32 and name   HN) (resid   30 and name   HA) 3.15 1.35 1.35 ! 0.6947  331:1  Ambig  4.41, 4.49 A
    or (resid   13 and name   HN) (resid    9 and name  HA2)                ! 0.3053  331:1  -----  5.05, 5.69 A
assign (resid   23 and name   HN) (resid   21 and name   HA) 3.15 1.35 1.35 ! 0.0000  332:1  Mid    3.35, 3.59 A
assign (resid   20 and name   HN) (resid   19 and name   HA) 2.30 0.50 0.50 ! 0.9837  335:1  Seq    2.26, 2.42 A
assign (resid    8 and name   HN) (resid    7 and name   HA) 2.30 0.50 0.50 ! 0.9954  337:1  Seq    2.15, 2.20 A
assign (resid   13 and name  HD*) (resid   13 and name   HA) 2.65 0.85 0.85 ! 0.0000  338:1  Intra  2.24, 3.45 A
assign (resid    7 and name HE21) (resid   32 and name   HA) 3.15 1.35 1.35 ! 0.9764  339:1  Long   2.07, 2.55 A
assign (resid    7 and name HE22) (resid   32 and name   HA) 3.15 1.35 1.35 ! 0.0000  341:1  Long   2.54, 2.80 A
assign (resid   18 and name   HN) (resid   16 and name   HA) 3.65 1.85 1.85 ! 0.0000  342:1  Mid    3.23, 3.40 A
assign (resid   31 and name  HD*) (resid   31 and name   HA) 2.65 0.85 0.85 ! 0.0000  343:1  Intra  2.66, 3.49 A
assign (resid    7 and name HE21) (resid   10 and name  HA2) 3.15 1.35 1.35 ! 0.6492  344:1  Ambig  3.75, 3.92 A
    or (resid    7 and name HE21) (resid    7 and name   HA)                ! 0.2222  344:1  -----  4.49, 4.69 A
assign (resid    7 and name HE22) (resid   10 and name  HA2) 3.65 1.85 1.85 ! 0.4746  345:1  Ambig  4.58, 4.77 A
    or (resid    7 and name HE22) (resid   12 and name  HA1)                ! 0.3883  345:1  -----  4.73, 5.34 A
assign (resid   13 and name  HD*) (resid    9 and name  HA2) 2.65 0.85 0.85 ! 0.0000  346:1  Mid    2.63, 4.98 A
assign (resid   18 and name   HN) (resid   18 and name   HA) 3.15 1.35 1.35 ! 0.0000  347:1  Intra  2.85, 2.89 A
assign (resid   32 and name  HD*) (resid   32 and name   HA) 2.65 0.85 0.85 ! 0.0000  348:1  Intra  2.27, 3.41 A
assign (resid   33 and name   HN) (resid    9 and name  HA2) 4.15 2.35 2.35 ! 0.7081  349:1  Ambig  5.52, 5.56 A
    or (resid   33 and name   HN) (resid   30 and name   HA)                ! 0.2919  349:1  -----  6.40, 6.60 A
assign (resid   33 and name   HN) (resid   32 and name   HA) 2.30 0.50 0.50 ! 0.9997  350:1  Seq    2.05, 2.12 A
assign (resid    4 and name  HD2) (resid   36 and name   HA) 2.65 0.85 0.85 ! 0.9944  351:1  Long   2.02, 2.15 A
assign (resid   32 and name  HD*) (resid    7 and name   HA) 3.65 1.85 1.85 ! 0.8269  352:1  Long   4.59, 5.48 A
assign (resid    9 and name   HN) (resid    7 and name   HA) 3.65 1.85 1.85 ! 0.7007  353:1  Ambig  3.86, 4.00 A
    or (resid    9 and name   HN) (resid   10 and name  HA2)                ! 0.2993  353:1  -----  4.44, 4.70 A
assign (resid    9 and name   HN) (resid    9 and name  HA2) 3.15 1.35 1.35 ! 0.0000  354:1  Intra  2.83, 2.89 A
assign (resid   32 and name  HE*) (resid    7 and name   HA) 3.15 1.35 1.35 ! 0.8784  355:1  Long   3.37, 4.64 A
assign (resid    3 and name  HB2) (resid    3 and name   HA) 2.65 0.85 0.85 ! 0.9837  356:1  Intra  2.36, 2.50 A
assign (resid    3 and name  HB1) (resid    3 and name   HA) 2.30 0.50 0.50 ! 0.6051  357:1  Ambig  2.31, 2.40 A
    or (resid   14 and name  HB2) (resid   14 and name   HA)                ! 0.3920  357:1  -----  2.48, 2.57 A
assign (resid   24 and name   HB) (resid   24 and name   HA) 2.65 0.85 0.85 ! 0.9093  358:1  Intra  2.65, 2.67 A
assign (resid    1 and name   HA) (resid    1 and name   HB) 2.65 0.85 0.85 ! 0.0000  360:1  Intra  2.53, 2.65 A
assign (resid   21 and name  HB*) (resid   21 and name   HA) 2.65 0.85 0.85 ! 0.9815  361:1  Intra  2.33, 2.69 A
assign (resid   23 and name   HB) (resid   23 and name   HA) 2.65 0.85 0.85 ! 0.9537  362:1  Intra  2.49, 2.56 A
assign (resid   19 and name  HB1) (resid   19 and name   HA) 2.65 0.85 0.85 ! 0.9732  363:1  Intra  2.46, 2.50 A
assign (resid   22 and name  HA2) (resid   23 and name   HA) 3.65 1.85 1.85 ! 0.5656  364:1  Ambig  4.32, 4.36 A
    or (resid   14 and name  HB1) (resid   13 and name   HA)                ! 0.4344  364:1  -----  4.52, 4.71 A
assign (resid   14 and name  HB1) (resid   14 and name   HA) 2.65 0.85 0.85 ! 0.9987  365:1  Intra  2.29, 2.35 A
assign (resid   19 and name  HB1) (resid   24 and name   HA) 3.15 1.35 1.35 ! 0.6359  366:1  Ambig  4.52, 4.56 A
    or (resid   19 and name  HB1) (resid   25 and name   HA)                ! 0.3170  366:1  -----  5.08, 5.19 A
assign (resid   16 and name  HD2) (resid   16 and name   HA) 3.65 1.85 1.85 ! 0.9620  367:1  Intra  3.98, 4.06 A
assign (resid   33 and name  HB1) (resid    9 and name  HA2) 3.65 1.85 1.85 ! 0.8626  372:1  Long   4.72, 4.89 A
assign (resid   35 and name  HB2) (resid   34 and name   HA) 4.15 2.35 2.35 ! 0.8963  373:1  Seq    4.50, 4.60 A
assign (resid   35 and name  HB1) (resid   23 and name   HA) 3.65 1.85 1.85 ! 0.5082  376:1  Ambig  4.42, 4.54 A
    or (resid   35 and name  HB1) (resid   19 and name   HA)                ! 0.2483  376:1  -----  4.98, 5.16 A
    or (resid   25 and name  HB2) (resid   19 and name   HA)                ! 0.2217  376:1  -----  5.08, 5.26 A
assign (resid   25 and name  HB2) (resid   19 and name   HA) 4.15 2.35 2.35 ! 0.8194  378:1  Long   5.08, 5.26 A
assign (resid   25 and name  HB2) (resid   25 and name   HA) 2.65 0.85 0.85 ! 0.8841  379:1  Intra  2.43, 2.45 A
assign (resid   31 and name  HB1) (resid   31 and name   HA) 2.65 0.85 0.85 ! 0.0000  380:1  Intra  2.48, 2.53 A
assign (resid    5 and name  HB2) (resid    6 and name  HA2) 3.65 1.85 1.85 ! 0.7096  381:1  Ambig  4.70, 4.97 A
    or (resid    8 and name  HB2) (resid    7 and name   HA)                ! 0.2904  381:1  -----  5.45, 5.52 A
assign (resid   35 and name  HB2) (resid   19 and name   HA) 3.15 1.35 1.35 ! 0.8841  383:1  Long   4.16, 4.31 A
assign (resid   13 and name  HB1) (resid   13 and name   HA) 2.65 0.85 0.85 ! 0.9291  384:1  Intra  3.01, 3.03 A
assign (resid   13 and name  HB2) (resid   13 and name   HA) 2.65 0.85 0.85 ! 0.9508  385:1  Intra  2.43, 2.48 A
assign (resid   32 and name  HB2) (resid   32 and name   HA) 2.65 0.85 0.85 ! 0.8917  386:1  Intra  2.40, 2.44 A
assign (resid   35 and name  HB2) (resid   25 and name   HA) 3.15 1.35 1.35 ! 0.6734  388:1  Ambig  3.86, 3.96 A
    or (resid   35 and name  HB2) (resid    3 and name   HA)                ! 0.1962  388:1  -----  4.74, 4.98 A
assign (resid   25 and name  HB1) (resid   25 and name   HA) 2.65 0.85 0.85 ! 0.7665  389:1  Ambig  3.01, 3.02 A
    or (resid    4 and name  HB2) (resid    3 and name   HA)                ! 0.0910  389:1  -----  4.30, 4.39 A
assign (resid   31 and name  HB2) (resid   31 and name   HA) 2.65 0.85 0.85 ! 0.0000  390:1  Intra  2.98, 3.00 A
assign (resid   33 and name  HB2) (resid   10 and name  HA2) 3.15 1.35 1.35 ! 0.5408  391:1  Ambig  3.41, 3.86 A
    or (resid    8 and name  HB1) (resid    7 and name   HA)                ! 0.1757  391:1  -----  4.11, 4.23 A
    or (resid   33 and name  HB2) (resid    7 and name   HA)                ! 0.0778  391:1  -----  4.71, 4.83 A
    or (resid   13 and name  HB2) (resid   12 and name  HA1)                ! 0.0740  391:1  -----  4.75, 4.93 A
assign (resid   13 and name  HB1) (resid    9 and name  HA2) 3.15 1.35 1.35 ! 0.9811  392:1  Mid    3.05, 3.82 A
assign (resid   33 and name  HB2) (resid    9 and name  HA2) 3.15 1.35 1.35 ! 0.6844  393:1  Ambig  3.57, 3.64 A
    or (resid   13 and name  HB2) (resid    9 and name  HA2)                ! 0.2480  393:1  -----  4.22, 5.17 A
assign (resid   26 and name  HG1) (resid   26 and name   HA) 3.15 1.35 1.35 ! 0.0000  394:1  Intra  2.15, 2.21 A
assign (resid   32 and name  HB1) (resid   32 and name   HA) 3.15 1.35 1.35 ! 0.0000  395:1  Intra  3.00, 3.01 A
assign (resid   26 and name  HG2) (resid   26 and name   HA) 2.65 0.85 0.85 ! 0.6008  396:1  Ambig  2.82, 2.85 A
    or (resid   19 and name  HB2) (resid   19 and name   HA)                ! 0.3854  396:1  -----  3.03, 3.05 A
assign (resid   26 and name  HB1) (resid   26 and name   HA) 2.30 0.50 0.50 ! 0.9958  397:1  Intra  2.94, 2.95 A
assign (resid   16 and name  HB1) (resid   16 and name   HA) 2.30 0.50 0.50 ! 0.0000  398:1  Intra  2.22, 2.24 A
assign (resid   19 and name  HB2) (resid   24 and name   HA) 2.65 0.85 0.85 ! 0.9802  399:1  Long   3.51, 3.53 A
assign (resid    7 and name  HG1) (resid    7 and name   HA) 2.65 0.85 0.85 ! 0.9885  400:1  Intra  2.35, 2.46 A
assign (resid   34 and name  HG1) (resid    7 and name   HA) 3.65 1.85 1.85 ! 0.5001  401:1  Ambig  3.44, 3.72 A
    or (resid   34 and name  HG1) (resid    6 and name  HA2)                ! 0.4999  401:1  -----  3.44, 3.71 A
assign (resid    7 and name  HB2) (resid    7 and name   HA) 2.65 0.85 0.85 ! 0.9448  402:1  Intra  2.36, 2.45 A
assign (resid   30 and name  HB1) (resid   30 and name   HA) 2.30 0.50 0.50 ! 0.0000  403:1  Intra  2.28, 2.30 A
assign (resid   30 and name  HG2) (resid   30 and name   HA) 3.15 1.35 1.35 ! 0.9815  404:1  Intra  3.82, 3.87 A
assign (resid   28 and name  HB2) (resid   28 and name   HA) 2.65 0.85 0.85 ! 0.9377  405:1  Intra  3.00, 3.02 A
assign (resid   28 and name  HB1) (resid   28 and name   HA) 2.65 0.85 0.85 ! 0.8246  406:1  Intra  2.41, 2.46 A
assign (resid   26 and name  HB2) (resid   26 and name   HA) 2.65 0.85 0.85 ! 0.9439  407:1  Intra  2.62, 2.66 A
assign (resid   16 and name  HG*) (resid   16 and name   HA) 3.15 1.35 1.35 ! 0.0000  408:1  Intra  3.76, 3.90 A
assign (resid   16 and name  HB2) (resid   16 and name   HA) 2.65 0.85 0.85 ! 0.9979  409:1  Intra  2.70, 2.76 A
assign (resid   30 and name  HG1) (resid   30 and name   HA) 3.15 1.35 1.35 ! 0.0000  410:1  Intra  3.96, 3.99 A
assign (resid   18 and name   HB) (resid   18 and name   HA) 2.65 0.85 0.85 ! 0.0000  411:1  Intra  3.03, 3.04 A
assign (resid   36 and name  HB*) (resid   36 and name   HA) 2.30 0.50 0.50 ! 0.9833  412:1  Intra  2.41, 2.72 A
assign (resid    7 and name  HB1) (resid    7 and name   HA) 3.15 1.35 1.35 ! 0.9367  414:1  Intra  3.00, 3.02 A
assign (resid   34 and name  HB2) (resid    7 and name   HA) 3.15 1.35 1.35 ! 0.9250  415:1  Long   3.32, 3.51 A
assign (resid    2 and name  HB*) (resid   19 and name   HA) 2.30 0.50 0.50 ! 0.7937  416:1  Ambig  1.92, 3.09 A
    or (resid    2 and name  HB*) (resid    2 and name   HA)                ! 0.2042  416:1  -----  2.41, 2.64 A
assign (resid   17 and name HG2*) (resid   17 and name   HB) 2.30 0.50 0.50 ! 0.9898  417:1  Intra  2.44, 2.65 A
assign (resid   24 and name HG2*) (resid   24 and name   HA) 2.65 0.85 0.85 ! 0.0000  418:1  Intra  2.07, 2.67 A
assign (resid    1 and name HG2*) (resid    1 and name   HB) 2.65 0.85 0.85 ! 0.0000  419:1  Intra  2.43, 2.65 A
assign (resid   30 and name  HB2) (resid   30 and name   HA) 2.65 0.85 0.85 ! 0.9924  420:1  Intra  2.72, 2.73 A
assign (resid   28 and name HD2*) (resid   28 and name   HA) 2.65 0.85 0.85 ! 0.9954  421:1  Intra  2.11, 2.96 A
assign (resid   36 and name HD2*) (resid   36 and name   HA) 2.30 0.50 0.50 ! 0.9994  422:1  Intra  2.03, 2.93 A
assign (resid   27 and name HG1*) (resid   30 and name   HA) 3.65 1.85 1.85 ! 0.0000  423:1  Mid    2.86, 3.45 A
assign (resid   18 and name HG1*) (resid   18 and name   HA) 2.30 0.50 0.50 ! 0.5242  424:1  Ambig  2.49, 3.13 A
    or (resid   18 and name HG2*) (resid   18 and name   HA)                ! 0.4758  424:1  -----  2.53, 3.17 A
assign (resid   23 and name HG2*) (resid   23 and name   HA) 2.65 0.85 0.85 ! 0.9939  425:1  Intra  2.26, 2.91 A
assign (resid   23 and name HG2*) (resid   36 and name   HA) 3.65 1.85 1.85 ! 0.6467  426:1  Ambig  3.37, 4.67 A
    or (resid   23 and name HG2*) (resid    3 and name   HA)                ! 0.3057  426:1  -----  3.82, 5.08 A
assign (resid    5 and name   HN) (resid    5 and name   HA) 2.30 0.50 0.50 ! 0.5031  427:1  Ambig  2.17, 2.20 A
    or (resid    5 and name   HN) (resid    4 and name   HA)                ! 0.4969  427:1  -----  2.17, 2.21 A
assign (resid   24 and name   HN) (resid   24 and name   HB) 3.15 1.35 1.35 ! 0.0000  428:1  Intra  3.46, 3.51 A
assign (resid   24 and name   HN) (resid   23 and name   HB) 2.30 0.50 0.50 ! 0.0000  429:1  Seq    2.61, 2.79 A
assign (resid    4 and name   HN) (resid    3 and name  HB2) 2.65 0.85 0.85 ! 0.6724  430:1  Ambig  2.17, 2.45 A
    or (resid    4 and name   HN) (resid    4 and name   HA)                ! 0.1437  430:1  -----  2.81, 2.84 A
assign (resid   34 and name   HN) (resid   27 and name   HA) 3.15 1.35 1.35 ! 0.7676  431:1  Ambig  3.39, 3.55 A
    or (resid   26 and name   HN) (resid   24 and name   HB)                ! 0.1168  431:1  -----  4.64, 4.81 A
assign (resid    2 and name   HN) (resid    1 and name   HA) 2.65 0.85 0.85 ! 0.9733  432:1  Seq    2.22, 2.39 A
assign (resid    6 and name   HN) (resid  101 and name   H3) 3.65 1.85 1.85 ! 0.6589  433:1  Ambig  3.09, 4.96 A
    or (resid    6 and name   HN) (resid  101 and name   H2)                ! 0.3161  433:1  -----  3.49, 4.20 A
assign (resid   12 and name   HN) (resid   11 and name   HA) 2.30 0.50 0.50 ! 0.9952  434:1  Seq    2.03, 2.05 A
assign (resid    4 and name   HN) (resid    3 and name  HB1) 3.15 1.35 1.35 ! 0.8237  435:1  Seq    3.56, 3.70 A
assign (resid   34 and name   HN) (resid   33 and name  HB1) 2.65 0.85 0.85 ! 0.8353  436:1  Seq    3.00, 3.12 A
assign (resid   28 and name   HN) (resid   27 and name   HA) 2.30 0.50 0.50 ! 0.9593  437:1  Seq    2.03, 2.10 A
assign (resid   25 and name   HN) (resid   24 and name   HB) 2.65 0.85 0.85 ! 0.0000  438:1  Seq    2.91, 3.04 A
assign (resid   31 and name   HN) (resid   30 and name  HD1) 3.65 1.85 1.85 ! 0.8825  439:1  Seq    3.70, 3.80 A
assign (resid   29 and name   HN) (resid   30 and name  HD1) 3.65 1.85 1.85 ! 0.8731  440:1  Seq    4.94, 5.00 A
assign (resid   22 and name   HN) (resid   21 and name  HB*) 3.15 1.35 1.35 ! 0.0000  441:1  Seq    3.19, 3.88 A
assign (resid   31 and name   HN) (resid   10 and name  HA1) 3.65 1.85 1.85 ! 0.9162  442:1  Long   4.54, 4.58 A
assign (resid   10 and name   HN) (resid   10 and name  HA1) 2.30 0.50 0.50 ! 0.7447  443:1  Ambig  2.34, 2.41 A
    or (resid   10 and name   HN) (resid    9 and name  HA1)                ! 0.2427  443:1  -----  2.82, 2.89 A
assign (resid   31 and name   HN) (resid   30 and name  HD2) 3.15 1.35 1.35 ! 0.0000  444:1  Seq    2.38, 2.52 A
assign (resid   22 and name   HN) (resid   22 and name  HA2) 2.65 0.85 0.85 ! 0.0000  445:1  Intra  2.34, 2.38 A
assign (resid   19 and name   HN) (resid   19 and name  HB1) 2.65 0.85 0.85 ! 0.6465  446:1  Ambig  3.59, 3.63 A
    or (resid   27 and name   HN) (resid   33 and name  HB1)                ! 0.3466  446:1  -----  3.98, 4.33 A
assign (resid    3 and name   HN) (resid    3 and name  HB2) 3.15 1.35 1.35 ! 0.9836  447:1  Intra  3.37, 3.51 A
assign (resid   21 and name   HN) (resid   20 and name   HA) 2.30 0.50 0.50 ! 0.8751  448:1  Seq    2.56, 2.66 A
assign (resid    3 and name   HN) (resid  101 and name   H3) 3.65 1.85 1.85 ! 0.5090  450:1  Ambig  2.48, 3.71 A
    or (resid    3 and name   HN) (resid  101 and name  H62)                ! 0.3954  450:1  -----  2.59, 4.07 A
assign (resid    7 and name   HN) (resid  101 and name   H2) 3.65 1.85 1.85 ! 0.5324  451:1  Ambig  2.39, 4.11 A
    or (resid    7 and name   HN) (resid  101 and name   H3)                ! 0.4369  451:1  -----  2.47, 3.48 A
assign (resid    3 and name   HN) (resid  101 and name   H2) 3.65 1.85 1.85 ! 0.0000  453:1  Long   3.30, 4.20 A
assign (resid   21 and name   HN) (resid   21 and name  HB*) 2.30 0.50 0.50 ! 0.0000  454:1  Intra  2.37, 3.02 A
assign (resid   11 and name   HN) (resid   11 and name   HA) 2.30 0.50 0.50 ! 0.5018  455:1  Ambig  2.70, 2.74 A
    or (resid   11 and name   HN) (resid   10 and name  HA1)                ! 0.4982  455:1  -----  2.71, 2.76 A
assign (resid    3 and name   HN) (resid    3 and name  HB1) 2.65 0.85 0.85 ! 0.6793  456:1  Ambig  2.56, 2.76 A
    or (resid    3 and name   HN) (resid    6 and name  HA1)                ! 0.1834  456:1  -----  3.18, 3.69 A
assign (resid    7 and name   HN) (resid    6 and name  HA1) 2.65 0.85 0.85 ! 0.0000  457:1  Seq    2.62, 2.80 A
assign (resid   14 and name   HN) (resid   14 and name  HB1) 3.15 1.35 1.35 ! 0.8923  458:1  Intra  2.82, 2.96 A
assign (resid   23 and name   HN) (resid   21 and name  HB*) 3.65 1.85 1.85 ! 0.0000  461:1  Mid    5.08, 5.56 A
assign (resid   13 and name   HN) (resid   11 and name   HA) 2.65 0.85 0.85 ! 0.9476  462:1  Mid    3.40, 3.48 A
assign (resid   23 and name   HN) (resid   23 and name   HB) 3.65 1.85 1.85 ! 0.0000  463:1  Intra  3.68, 3.71 A
assign (resid   23 and name   HN) (resid   22 and name  HA2) 3.15 1.35 1.35 ! 0.0000  464:1  Seq    2.94, 3.01 A
assign (resid   34 and name HE21) (resid    5 and name   HA) 3.15 1.35 1.35 ! 0.9989  465:1  Long   1.79, 2.80 A
assign (resid   20 and name   HN) (resid   20 and name   HA) 2.65 0.85 0.85 ! 0.9749  466:1  Intra  2.81, 2.85 A
assign (resid   20 and name   HN) (resid   19 and name  HB1) 3.15 1.35 1.35 ! 0.9865  467:1  Seq    1.94, 2.13 A
assign (resid   31 and name  HD*) (resid   30 and name  HD1) 3.65 1.85 1.85 ! 0.0000  468:1  Seq    4.22, 6.46 A
assign (resid    7 and name HE21) (resid   10 and name  HA1) 3.65 1.85 1.85 ! 0.9939  469:1  Mid    2.25, 2.45 A
assign (resid   13 and name  HD*) (resid    9 and name  HA1) 3.15 1.35 1.35 ! 0.7774  470:1  Ambig  4.16, 6.17 A
    or (resid   13 and name  HD*) (resid   14 and name  HB2)                ! 0.0728  470:1  -----  6.17, 7.16 A
assign (resid   31 and name  HD*) (resid   30 and name  HD2) 3.15 1.35 1.35 ! 0.0000  471:1  Seq    2.63, 5.05 A
assign (resid    5 and name  HD*) (resid    5 and name   HA) 2.65 0.85 0.85 ! 0.9453  472:1  Intra  2.61, 3.45 A
assign (resid    4 and name  HD2) (resid    4 and name   HA) 2.65 0.85 0.85 ! 0.9120  473:1  Intra  2.33, 2.47 A
assign (resid   34 and name HE22) (resid    5 and name   HA) 3.15 1.35 1.35 ! 0.9942  474:1  Long   3.06, 3.42 A
assign (resid    9 and name   HN) (resid    9 and name  HA1) 3.15 1.35 1.35 ! 0.9960  475:1  Intra  2.62, 2.74 A
assign (resid    4 and name  HD2) (resid   23 and name   HB) 3.65 1.85 1.85 ! 0.8682  476:1  Long   3.90, 4.45 A
assign (resid   33 and name   HN) (resid   33 and name  HB1) 3.15 1.35 1.35 ! 0.0000  477:1  Intra  3.78, 3.81 A
assign (resid    9 and name   HN) (resid   33 and name  HB1) 3.65 1.85 1.85 ! 0.0000  478:1  Long   3.31, 3.90 A
assign (resid    5 and name  HE*) (resid    5 and name   HA) 3.65 1.85 1.85 ! 0.7727  479:1  Ambig  4.69, 5.18 A
    or (resid    5 and name  HE*) (resid    4 and name   HA)                ! 0.2273  479:1  -----  5.75, 6.79 A
assign (resid   13 and name  HE*) (resid   16 and name  HD1) 3.65 1.85 1.85 ! 0.9257  480:1  Mid    4.41, 5.59 A
assign (resid   13 and name  HE*) (resid   15 and name  HA1) 3.65 1.85 1.85 ! 0.0000  481:1  Mid    2.87, 3.53 A
assign (resid   33 and name   HA) (resid   27 and name   HA) 3.65 1.85 1.85 ! 0.0000  482:1  Long   2.20, 2.34 A
assign (resid   33 and name   HA) (resid   33 and name  HB1) 3.65 1.85 1.85 ! 0.0000  483:1  Intra  2.41, 2.44 A
assign (resid   21 and name   HA) (resid   21 and name  HB*) 2.65 0.85 0.85 ! 0.0000  484:1  Intra  2.33, 2.69 A
assign (resid  101 and name  H62) (resid  101 and name   H5) 2.65 0.85 0.85 ! 0.5456  492:1  Ambig  2.39, 2.43 A
    or (resid  101 and name   H3) (resid  101 and name   H5)                ! 0.4544  492:1  -----  2.46, 2.88 A
assign (resid   15 and name  HA2) (resid   16 and name  HD2) 3.15 1.35 1.35 ! 0.0000  496:1  Seq    2.49, 2.79 A
assign (resid   33 and name  HB1) (resid   27 and name   HA) 2.65 0.85 0.85 ! 0.0000  498:1  Long   2.20, 2.61 A
assign (resid   16 and name  HD2) (resid   15 and name  HA2) 2.30 0.50 0.50 ! 0.0000  501:1  Seq    2.49, 2.79 A
assign (resid   33 and name  HB1) (resid    9 and name  HA1) 3.15 1.35 1.35 ! 0.0000  505:1  Long   3.03, 3.25 A
assign (resid   16 and name  HD2) (resid   15 and name  HA1) 2.30 0.50 0.50 ! 0.0000  506:1  Seq    1.98, 2.12 A
assign (resid   15 and name  HA1) (resid   16 and name  HD2) 2.65 0.85 0.85 ! 0.0000  507:1  Seq    1.98, 2.12 A
assign (resid    5 and name  HB2) (resid    5 and name   HA) 2.65 0.85 0.85 ! 0.8644  508:1  Intra  3.00, 3.02 A
assign (resid   35 and name  HB1) (resid    4 and name   HA) 2.30 0.50 0.50 ! 0.8382  509:1  Long   2.27, 2.33 A
assign (resid    5 and name  HB1) (resid    5 and name   HA) 2.65 0.85 0.85 ! 0.9943  510:1  Intra  2.48, 2.54 A
assign (resid   29 and name  HB*) (resid   30 and name  HD1) 2.30 0.50 0.50 ! 0.0000  511:1  Seq    2.86, 3.57 A
assign (resid   35 and name  HB1) (resid   23 and name   HB) 3.15 1.35 1.35 ! 0.9903  513:1  Long   2.37, 2.52 A
assign (resid   29 and name  HB*) (resid   30 and name  HD2) 2.30 0.50 0.50 ! 0.0000  514:1  Seq    1.81, 2.57 A
assign (resid   35 and name  HB2) (resid    4 and name   HA) 3.15 1.35 1.35 ! 0.9107  515:1  Long   3.59, 3.63 A
assign (resid    4 and name  HB2) (resid    4 and name   HA) 2.65 0.85 0.85 ! 0.9927  516:1  Intra  2.52, 2.60 A
assign (resid   33 and name  HB2) (resid    9 and name  HA1) 2.65 0.85 0.85 ! 0.9804  517:1  Long   2.15, 2.33 A
assign (resid   35 and name  HB2) (resid   23 and name   HB) 3.15 1.35 1.35 ! 0.8357  518:1  Long   3.46, 3.55 A
assign (resid   35 and name  HB2) (resid   19 and name  HB1) 3.15 1.35 1.35 ! 0.9871  519:1  Long   3.49, 3.51 A
assign (resid   34 and name  HG1) (resid    5 and name   HA) 3.15 1.35 1.35 ! 0.9922  521:1  Long   2.22, 2.59 A
assign (resid   34 and name  HG2) (resid    5 and name   HA) 2.65 0.85 0.85 ! 0.9920  522:1  Long   2.10, 2.38 A
assign (resid   30 and name  HB1) (resid   30 and name  HD1) 3.65 1.85 1.85 ! 0.0000  523:1  Intra  3.10, 3.25 A
assign (resid   30 and name  HG2) (resid   30 and name  HD1) 2.65 0.85 0.85 ! 0.8731  524:1  Intra  2.96, 2.98 A
assign (resid   30 and name  HG2) (resid   30 and name  HD2) 2.65 0.85 0.85 ! 0.9931  525:1  Intra  2.19, 2.21 A
assign (resid   30 and name  HB1) (resid   30 and name  HD2) 3.15 1.35 1.35 ! 0.0000  526:1  Intra  3.86, 3.91 A
assign (resid   16 and name  HB1) (resid   16 and name  HD2) 3.15 1.35 1.35 ! 0.0000  528:1  Intra  3.87, 3.92 A
assign (resid   16 and name  HG*) (resid   15 and name  HA2) 3.15 1.35 1.35 ! 0.0000  529:1  Seq    4.55, 4.90 A
assign (resid   27 and name   HB) (resid   27 and name   HA) 2.65 0.85 0.85 ! 0.9031  530:1  Intra  3.03, 3.03 A
assign (resid   16 and name  HB2) (resid    1 and name   HA) 3.65 1.85 1.85 ! 0.9546  531:1  Long   2.34, 2.78 A
assign (resid   30 and name  HG1) (resid   30 and name  HD1) 2.65 0.85 0.85 ! 0.0000  532:1  Intra  2.33, 2.35 A
assign (resid   16 and name  HG*) (resid   16 and name  HD1) 2.65 0.85 0.85 ! 0.0000  533:1  Intra  2.29, 2.65 A
assign (resid   30 and name  HG1) (resid   30 and name  HD2) 2.65 0.85 0.85 ! 0.0000  534:1  Intra  2.67, 2.72 A
assign (resid   16 and name  HG*) (resid   15 and name  HA1) 2.65 0.85 0.85 ! 0.0000  535:1  Seq    3.74, 4.44 A
assign (resid   16 and name  HG*) (resid   16 and name  HD2) 2.30 0.50 0.50 ! 0.0000  536:1  Intra  2.27, 2.50 A
assign (resid   11 and name HG11) (resid   11 and name   HA) 3.15 1.35 1.35 ! 0.9257  537:1  Intra  2.93, 3.01 A
assign (resid   20 and name  HB*) (resid   20 and name   HA) 2.30 0.50 0.50 ! 0.9854  538:1  Intra  2.40, 2.65 A
assign (resid    1 and name HG2*) (resid   20 and name   HA) 3.15 1.35 1.35 ! 0.0000  539:1  Long   2.13, 3.74 A
assign (resid   24 and name HG2*) (resid   24 and name   HB) 2.30 0.50 0.50 ! 0.0000  540:1  Intra  2.19, 2.53 A
assign (resid    1 and name HG2*) (resid    1 and name   HA) 2.65 0.85 0.85 ! 0.9523  541:1  Intra  2.35, 2.98 A
assign (resid   27 and name HG2*) (resid   27 and name   HA) 2.30 0.50 0.50 ! 0.9703  542:1  Intra  2.34, 3.04 A
assign (resid   27 and name HG1*) (resid   27 and name   HA) 2.65 0.85 0.85 ! 0.0000  543:1  Intra  2.56, 3.18 A
assign (resid   11 and name HG2*) (resid   11 and name   HA) 2.65 0.85 0.85 ! 0.9193  544:1  Intra  2.48, 3.08 A
assign (resid   23 and name HG2*) (resid    4 and name   HA) 3.15 1.35 1.35 ! 0.9962  545:1  Long   2.06, 2.88 A
assign (resid   11 and name HD1*) (resid   11 and name   HA) 3.65 1.85 1.85 ! 0.8770  546:1  Intra  4.40, 4.67 A
assign (resid   23 and name HG2*) (resid   23 and name   HB) 2.65 0.85 0.85 ! 0.9955  547:1  Intra  2.29, 2.57 A
assign (resid    5 and name   HN) (resid    5 and name  HB2) 3.65 1.85 1.85 ! 0.9901  548:1  Intra  3.51, 3.61 A
assign (resid    5 and name   HN) (resid   35 and name  HB1) 2.65 0.85 0.85 ! 0.6950  549:1  Ambig  3.10, 3.29 A
    or (resid    5 and name   HN) (resid    4 and name  HB1)                ! 0.1749  549:1  -----  3.91, 4.02 A
assign (resid    5 and name   HN) (resid    4 and name  HB2) 3.65 1.85 1.85 ! 0.0000  550:1  Seq    4.31, 4.37 A
assign (resid    6 and name   HN) (resid    5 and name  HB2) 3.65 1.85 1.85 ! 0.9752  551:1  Seq    3.70, 3.89 A
assign (resid   26 and name   HN) (resid   25 and name  HB2) 3.15 1.35 1.35 ! 0.7136  552:1  Ambig  4.27, 4.35 A
    or (resid   26 and name   HN) (resid   35 and name  HB1)                ! 0.1793  552:1  -----  5.37, 5.49 A
assign (resid    4 and name   HN) (resid    4 and name  HB1) 2.65 0.85 0.85 ! 0.8658  553:1  Intra  2.44, 2.65 A
assign (resid   26 and name   HN) (resid   25 and name  HB1) 3.15 1.35 1.35 ! 0.5094  554:1  Ambig  4.23, 4.31 A
    or (resid   12 and name   HN) (resid   13 and name  HB1)                ! 0.4512  554:1  -----  4.32, 4.48 A
assign (resid    4 and name   HN) (resid    4 and name  HB2) 2.65 0.85 0.85 ! 0.9946  555:1  Intra  2.24, 2.36 A
assign (resid   34 and name   HN) (resid   33 and name  HB2) 3.15 1.35 1.35 ! 0.4981  556:1  Ambig  3.92, 4.00 A
    or (resid   12 and name   HN) (resid   13 and name  HB2)                ! 0.1609  556:1  -----  4.73, 4.95 A
    or (resid   26 and name   HN) (resid    8 and name  HB1)                ! 0.1468  556:1  -----  4.81, 5.13 A
assign (resid   31 and name   HN) (resid   31 and name  HB1) 3.15 1.35 1.35 ! 0.0000  557:1  Intra  3.57, 3.61 A
assign (resid   31 and name   HN) (resid   29 and name  HB*) 3.15 1.35 1.35 ! 0.0000  558:1  Mid    2.83, 3.15 A
assign (resid   29 and name   HN) (resid   29 and name  HB*) 3.15 1.35 1.35 ! 0.9673  559:1  Intra  2.70, 3.33 A
assign (resid   25 and name   HN) (resid   25 and name  HB2) 2.65 0.85 0.85 ! 0.9922  560:1  Intra  2.60, 2.66 A
assign (resid   25 and name   HN) (resid   25 and name  HB1) 2.65 0.85 0.85 ! 0.0000  561:1  Intra  2.55, 2.58 A
assign (resid   31 and name   HN) (resid   31 and name  HB2) 2.65 0.85 0.85 ! 0.9868  562:1  Intra  2.32, 2.39 A
assign (resid   10 and name   HN) (resid   33 and name  HB2) 3.15 1.35 1.35 ! 0.9630  563:1  Long   1.80, 1.96 A
assign (resid   11 and name   HN) (resid   31 and name  HB1) 3.65 1.85 1.85 ! 0.0000  564:1  Long   4.29, 4.42 A
assign (resid    4 and name  HE1) (resid    4 and name  HB1) 3.65 1.85 1.85 ! 0.9013  565:1  Intra  4.75, 4.87 A
assign (resid   35 and name   HN) (resid   35 and name  HB2) 2.65 0.85 0.85 ! 0.0000  566:1  Intra  2.69, 2.74 A
assign (resid   14 and name   HN) (resid   13 and name  HB1) 3.65 1.85 1.85 ! 0.9223  568:1  Seq    3.98, 4.34 A
assign (resid   11 and name   HN) (resid   31 and name  HB2) 3.65 1.85 1.85 ! 0.6158  569:1  Ambig  4.83, 5.01 A
    or (resid   11 and name   HN) (resid   13 and name  HB1)                ! 0.3842  569:1  -----  5.23, 5.59 A
assign (resid   35 and name   HN) (resid    8 and name  HB1) 3.15 1.35 1.35 ! 0.8308  570:1  Long   3.15, 3.46 A
assign (resid   32 and name   HN) (resid   31 and name  HB1) 3.65 1.85 1.85 ! 0.9454  571:1  Seq    3.72, 3.79 A
assign (resid   13 and name   HN) (resid   13 and name  HB1) 2.30 0.50 0.50 ! 0.7426  573:1  Ambig  2.36, 2.48 A
    or (resid   32 and name   HN) (resid   31 and name  HB2)                ! 0.2567  573:1  -----  2.81, 2.92 A
assign (resid   13 and name   HN) (resid   13 and name  HB2) 2.30 0.50 0.50 ! 0.6560  574:1  Ambig  2.56, 2.66 A
    or (resid   32 and name   HN) (resid   32 and name  HB2)                ! 0.3371  574:1  -----  2.86, 2.95 A
assign (resid    8 and name   HN) (resid    8 and name  HB2) 3.65 1.85 1.85 ! 0.9597  575:1  Intra  3.73, 3.78 A
assign (resid   34 and name HE21) (resid    5 and name  HB2) 3.65 1.85 1.85 ! 0.0000  576:1  Long   4.07, 4.97 A
assign (resid   29 and name HD21) (resid   29 and name  HB*) 2.30 0.50 0.50 ! 0.0000  577:1  Intra  2.17, 2.75 A
assign (resid   34 and name HE21) (resid    5 and name  HB1) 3.15 1.35 1.35 ! 0.9921  579:1  Long   2.71, 3.69 A
assign (resid   20 and name   HN) (resid   35 and name  HB2) 3.15 1.35 1.35 ! 0.6907  580:1  Ambig  4.47, 4.70 A
    or (resid    8 and name   HN) (resid   35 and name  HB2)                ! 0.3093  580:1  -----  5.11, 5.28 A
assign (resid   20 and name   HN) (resid    4 and name  HB2) 3.65 1.85 1.85 ! 0.4852  581:1  Ambig  5.21, 5.67 A
    or (resid    8 and name   HN) (resid   13 and name  HB1)                ! 0.3831  581:1  -----  5.42, 5.65 A
assign (resid    8 and name   HN) (resid    8 and name  HB1) 3.15 1.35 1.35 ! 0.5211  582:1  Ambig  2.93, 3.05 A
    or (resid    8 and name   HN) (resid   33 and name  HB2)                ! 0.4557  582:1  -----  2.99, 3.14 A
assign (resid   31 and name  HD*) (resid   31 and name  HB1) 2.65 0.85 0.85 ! 0.0000  584:1  Intra  2.35, 3.05 A
assign (resid   29 and name HD22) (resid   29 and name  HB*) 2.65 0.85 0.85 ! 0.0000  585:1  Intra  3.45, 3.71 A
assign (resid    7 and name HE21) (resid   13 and name  HB1) 3.65 1.85 1.85 ! 0.9768  587:1  Long   2.97, 3.79 A
assign (resid   13 and name  HD*) (resid   13 and name  HB1) 2.30 0.50 0.50 ! 0.0000  589:1  Intra  2.26, 3.01 A
assign (resid    7 and name HE22) (resid   13 and name  HB1) 3.15 1.35 1.35 ! 0.8557  590:1  Long   3.88, 4.30 A
assign (resid   31 and name  HD*) (resid   31 and name  HB2) 2.30 0.50 0.50 ! 0.9989  591:1  Intra  2.31, 3.03 A
assign (resid    7 and name HE21) (resid   13 and name  HB2) 3.15 1.35 1.35 ! 0.9820  592:1  Long   1.83, 2.97 A
assign (resid    7 and name HE22) (resid   13 and name  HB2) 2.65 0.85 0.85 ! 0.9242  593:1  Long   2.56, 2.98 A
assign (resid   13 and name  HD*) (resid   13 and name  HB2) 2.65 0.85 0.85 ! 0.9669  594:1  Intra  2.59, 3.07 A
assign (resid   31 and name  HE*) (resid   31 and name  HB1) 3.65 1.85 1.85 ! 0.0000  595:1  Intra  4.63, 5.06 A
assign (resid    5 and name  HD*) (resid    5 and name  HB2) 2.30 0.50 0.50 ! 0.0000  596:1  Intra  2.31, 3.03 A
assign (resid    4 and name  HD2) (resid   35 and name  HB1) 3.15 1.35 1.35 ! 0.6354  597:1  Ambig  3.13, 3.55 A
    or (resid    4 and name  HD2) (resid    4 and name  HB1)                ! 0.3250  597:1  -----  3.50, 3.75 A
assign (resid    5 and name  HD*) (resid    5 and name  HB1) 2.65 0.85 0.85 ! 0.6373  598:1  Ambig  2.37, 3.05 A
    or (resid    5 and name  HD*) (resid    4 and name  HB1)                ! 0.3627  598:1  -----  2.61, 4.93 A
assign (resid   34 and name HE22) (resid    5 and name  HB1) 3.15 1.35 1.35 ! 0.0000  599:1  Long   3.26, 3.68 A
assign (resid    5 and name  HD*) (resid    4 and name  HB2) 3.15 1.35 1.35 ! 0.0000  600:1  Seq    4.23, 6.21 A
assign (resid    4 and name  HD2) (resid    4 and name  HB2) 3.15 1.35 1.35 ! 0.8654  601:1  Intra  3.38, 3.61 A
assign (resid   33 and name   HN) (resid   33 and name  HB2) 2.65 0.85 0.85 ! 0.9127  602:1  Intra  2.67, 2.76 A
assign (resid   32 and name  HD*) (resid   32 and name  HB2) 2.65 0.85 0.85 ! 0.9861  603:1  Intra  2.52, 3.08 A
assign (resid    9 and name   HN) (resid   33 and name  HB2) 3.15 1.35 1.35 ! 0.9768  604:1  Long   1.86, 2.29 A
assign (resid   13 and name  HE*) (resid    8 and name  HB2) 3.15 1.35 1.35 ! 0.5685  605:1  Ambig  4.39, 6.33 A
    or (resid    5 and name  HE*) (resid    5 and name  HB2)                ! 0.4315  605:1  -----  4.59, 5.04 A
assign (resid    5 and name  HE*) (resid    4 and name  HB1) 3.65 1.85 1.85 ! 0.7825  606:1  Ambig  3.72, 6.05 A
    or (resid    5 and name  HE*) (resid    5 and name  HB1)                ! 0.2175  606:1  -----  4.61, 5.04 A
assign (resid   32 and name  HE*) (resid   32 and name  HB2) 3.15 1.35 1.35 ! 0.9122  607:1  Intra  4.70, 5.04 A
assign (resid   13 and name  HE*) (resid    8 and name  HB1) 3.65 1.85 1.85 ! 0.5746  608:1  Ambig  4.30, 6.22 A
    or (resid   13 and name  HE*) (resid   13 and name  HB2)                ! 0.3169  608:1  -----  4.75, 5.03 A
assign (resid    8 and name   HA) (resid    8 and name  HB2) 3.65 1.85 1.85 ! 0.0000  609:1  Intra  2.39, 2.43 A
assign (resid    8 and name   HA) (resid    8 and name  HB1) 3.15 1.35 1.35 ! 0.9633  610:1  Intra  2.37, 2.42 A
assign (resid   31 and name   HA) (resid   31 and name  HB1) 3.65 1.85 1.85 ! 0.0000  611:1  Intra  2.48, 2.53 A
assign (resid   30 and name  HD1) (resid   29 and name  HB*) 2.65 0.85 0.85 ! 0.0000  612:1  Seq    2.86, 3.57 A
assign (resid    4 and name   HA) (resid   35 and name  HB1) 2.65 0.85 0.85 ! 0.5615  613:1  Ambig  2.27, 2.33 A
    or (resid    5 and name   HA) (resid    5 and name  HB1)                ! 0.3287  613:1  -----  2.48, 2.54 A
assign (resid    4 and name   HA) (resid    4 and name  HB2) 3.15 1.35 1.35 ! 0.9956  614:1  Intra  2.52, 2.60 A
assign (resid    9 and name  HA1) (resid   33 and name  HB2) 3.15 1.35 1.35 ! 0.9917  615:1  Long   2.15, 2.33 A
assign (resid   23 and name   HB) (resid   35 and name  HB2) 3.15 1.35 1.35 ! 0.7954  616:1  Ambig  3.46, 3.55 A
    or (resid    6 and name  HA1) (resid   35 and name  HB2)                ! 0.1052  616:1  -----  4.85, 5.19 A
assign (resid   30 and name  HD2) (resid   29 and name  HB*) 2.30 0.50 0.50 ! 0.0000  617:1  Seq    1.81, 2.57 A
assign (resid   19 and name  HB1) (resid   35 and name  HB1) 3.65 1.85 1.85 ! 0.8452  618:1  Long   3.55, 3.59 A
assign (resid   19 and name  HB1) (resid   35 and name  HB2) 3.15 1.35 1.35 ! 0.0000  619:1  Long   3.49, 3.51 A
assign (resid   23 and name HG2*) (resid    4 and name  HB1) 3.15 1.35 1.35 ! 0.0000  635:1  Long   3.84, 4.21 A
assign (resid   23 and name HG2*) (resid    4 and name  HB2) 3.15 1.35 1.35 ! 0.0000  636:1  Long   2.31, 2.73 A
assign (resid   26 and name   HN) (resid   26 and name  HG1) 3.15 1.35 1.35 ! 0.8939  637:1  Intra  4.27, 4.33 A
assign (resid   26 and name   HN) (resid   26 and name  HG2) 3.15 1.35 1.35 ! 0.4793  638:1  Ambig  4.50, 4.52 A
    or (resid   34 and name   HN) (resid    7 and name  HG1)                ! 0.2682  638:1  -----  4.96, 5.21 A
    or (resid   34 and name   HN) (resid   26 and name  HG2)                ! 0.1888  638:1  -----  5.26, 5.46 A
assign (resid   26 and name   HN) (resid   26 and name  HB1) 2.65 0.85 0.85 ! 0.7768  639:1  Ambig  2.70, 2.78 A
    or (resid   34 and name   HN) (resid   26 and name  HB1)                ! 0.1435  639:1  -----  3.58, 3.76 A
assign (resid    6 and name   HN) (resid   34 and name  HG2) 3.65 1.85 1.85 ! 0.5111  640:1  Ambig  3.58, 3.93 A
    or (resid   36 and name   HN) (resid   26 and name  HB1)                ! 0.3177  640:1  -----  3.87, 4.05 A
assign (resid   29 and name   HN) (resid   32 and name  HB1) 3.65 1.85 1.85 ! 0.8640  641:1  Mid    3.26, 3.51 A
assign (resid   25 and name   HN) (resid   19 and name  HB2) 3.65 1.85 1.85 ! 0.9813  642:1  Long   3.84, 3.97 A
assign (resid   19 and name   HN) (resid   19 and name  HB2) 2.65 0.85 0.85 ! 0.6917  643:1  Ambig  2.44, 2.50 A
    or (resid   27 and name   HN) (resid   26 and name  HG2)                ! 0.2809  643:1  -----  2.84, 3.14 A
assign (resid   31 and name   HN) (resid   30 and name  HG2) 3.15 1.35 1.35 ! 0.9235  644:1  Seq    2.47, 2.67 A
assign (resid   17 and name   HN) (resid   16 and name  HB1) 3.15 1.35 1.35 ! 0.0000  645:1  Seq    3.72, 3.94 A
assign (resid   35 and name   HN) (resid   34 and name  HG1) 3.15 1.35 1.35 ! 0.0000  646:1  Seq    2.57, 2.77 A
assign (resid   35 and name   HN) (resid   34 and name  HG2) 2.65 0.85 0.85 ! 0.9951  647:1  Seq    2.19, 2.56 A
assign (resid    7 and name   HN) (resid    7 and name  HB2) 2.65 0.85 0.85 ! 0.9757  648:1  Intra  2.50, 2.67 A
assign (resid   32 and name   HN) (resid   32 and name  HB1) 3.15 1.35 1.35 ! 0.0000  649:1  Intra  2.57, 2.67 A
assign (resid    8 and name   HN) (resid    7 and name  HG1) 2.65 0.85 0.85 ! 0.8932  650:1  Seq    2.31, 2.48 A
assign (resid   34 and name HE21) (resid   34 and name  HG1) 2.65 0.85 0.85 ! 0.0000  651:1  Intra  2.18, 2.54 A
assign (resid    8 and name   HN) (resid    7 and name  HB2) 3.65 1.85 1.85 ! 0.8737  652:1  Seq    3.90, 4.05 A
assign (resid   34 and name HE21) (resid   34 and name  HG2) 3.15 1.35 1.35 ! 0.9906  653:1  Intra  2.17, 2.98 A
assign (resid   29 and name HD22) (resid   32 and name  HB1) 3.15 1.35 1.35 ! 0.0000  654:1  Mid    1.88, 3.80 A
assign (resid   26 and name HE21) (resid   26 and name  HG1) 3.15 1.35 1.35 ! 0.0000  655:1  Intra  2.16, 2.23 A
assign (resid    7 and name HE21) (resid    7 and name  HG1) 2.65 0.85 0.85 ! 0.9988  656:1  Intra  2.15, 2.28 A
assign (resid   26 and name HE21) (resid   26 and name  HG2) 3.15 1.35 1.35 ! 0.6578  657:1  Ambig  3.43, 3.46 A
    or (resid   31 and name  HD*) (resid   30 and name  HB1)                ! 0.3422  657:1  -----  3.83, 6.16 A
assign (resid    7 and name HE22) (resid    7 and name  HG1) 3.15 1.35 1.35 ! 0.0000  658:1  Intra  3.40, 3.46 A
assign (resid   32 and name  HD*) (resid   32 and name  HB1) 2.65 0.85 0.85 ! 0.0000  659:1  Intra  2.32, 3.05 A
assign (resid   26 and name HE22) (resid   26 and name  HG1) 3.65 1.85 1.85 ! 0.0000  660:1  Intra  3.44, 3.48 A
assign (resid   32 and name  HD*) (resid    7 and name  HG1) 3.15 1.35 1.35 ! 0.0000  661:1  Long   3.27, 4.89 A
assign (resid   26 and name HE22) (resid   26 and name  HG2) 3.65 1.85 1.85 ! 0.6294  662:1  Ambig  4.07, 4.10 A
    or (resid   31 and name  HE*) (resid   30 and name  HB1)                ! 0.3477  662:1  -----  4.50, 6.57 A
assign (resid   33 and name   HN) (resid    7 and name  HG1) 3.15 1.35 1.35 ! 0.0000  663:1  Long   2.27, 2.43 A
assign (resid    9 and name   HN) (resid    7 and name  HG1) 2.65 0.85 0.85 ! 0.0000  664:1  Mid    2.22, 2.67 A
assign (resid   34 and name HE22) (resid   34 and name  HG1) 3.15 1.35 1.35 ! 0.9777  665:1  Intra  3.45, 3.61 A
assign (resid   31 and name  HE*) (resid   30 and name  HG2) 3.65 1.85 1.85 ! 0.8864  666:1  Seq    2.63, 4.58 A
assign (resid   32 and name  HD*) (resid    7 and name  HB2) 3.65 1.85 1.85 ! 0.9847  667:1  Long   3.17, 4.90 A
assign (resid   34 and name HE22) (resid   34 and name  HG2) 3.15 1.35 1.35 ! 0.7563  668:1  Ambig  3.45, 3.81 A
    or (resid   33 and name   HN) (resid    7 and name  HB2)                ! 0.2031  668:1  -----  4.30, 4.54 A
assign (resid    9 and name   HN) (resid    7 and name  HB2) 4.15 2.35 2.35 ! 0.9340  669:1  Mid    4.72, 4.97 A
assign (resid   32 and name  HE*) (resid   32 and name  HB1) 3.65 1.85 1.85 ! 0.0000  670:1  Intra  4.61, 5.07 A
assign (resid   32 and name  HE*) (resid    7 and name  HG1) 3.15 1.35 1.35 ! 0.0000  671:1  Long   3.39, 5.19 A
assign (resid   32 and name  HE*) (resid   34 and name  HG1) 3.65 1.85 1.85 ! 0.0000  672:1  Mid    3.76, 4.70 A
assign (resid    7 and name   HA) (resid    7 and name  HG1) 3.65 1.85 1.85 ! 0.9860  673:1  Intra  2.35, 2.46 A
assign (resid   30 and name   HA) (resid   30 and name  HB1) 2.65 0.85 0.85 ! 0.9900  674:1  Intra  2.28, 2.30 A
assign (resid    7 and name   HA) (resid    7 and name  HB2) 3.15 1.35 1.35 ! 0.9448  675:1  Intra  2.36, 2.45 A
assign (resid   30 and name  HD1) (resid   30 and name  HG2) 2.65 0.85 0.85 ! 0.9312  676:1  Intra  2.96, 2.98 A
assign (resid    5 and name   HA) (resid   34 and name  HG2) 3.15 1.35 1.35 ! 0.9920  677:1  Long   2.10, 2.38 A
assign (resid   16 and name  HD2) (resid   16 and name  HB1) 3.15 1.35 1.35 ! 0.0000  678:1  Intra  3.87, 3.92 A
assign (resid   30 and name  HD2) (resid   30 and name  HG2) 2.65 0.85 0.85 ! 0.0000  681:1  Intra  2.19, 2.21 A
assign (resid   35 and name  HB2) (resid   19 and name  HB2) 3.65 1.85 1.85 ! 0.9456  683:1  Long   4.54, 4.55 A
assign (resid   26 and name  HG1) (resid   26 and name  HB1) 2.65 0.85 0.85 ! 0.0000  685:1  Intra  2.95, 2.96 A
assign (resid   26 and name  HB1) (resid   26 and name  HG2) 2.30 0.50 0.50 ! 0.6424  687:1  Ambig  2.27, 2.32 A
    or (resid    7 and name  HB2) (resid    7 and name  HG1)                ! 0.3560  687:1  -----  2.51, 2.55 A
assign (resid   26 and name  HG2) (resid   26 and name  HB1) 2.30 0.50 0.50 ! 0.5648  688:1  Ambig  2.27, 2.32 A
    or (resid    7 and name  HG1) (resid    7 and name  HB2)                ! 0.3130  688:1  -----  2.51, 2.55 A
assign (resid   16 and name  HG*) (resid   16 and name  HB1) 2.30 0.50 0.50 ! 0.0000  689:1  Intra  2.27, 2.66 A
assign (resid   26 and name  HB2) (resid   26 and name  HG2) 2.65 0.85 0.85 ! 0.9186  691:1  Intra  2.96, 2.98 A
assign (resid   34 and name  HB2) (resid   34 and name  HG1) 2.65 0.85 0.85 ! 0.9977  693:1  Intra  2.36, 2.40 A
assign (resid   34 and name  HB2) (resid   34 and name  HG2) 2.65 0.85 0.85 ! 0.5084  694:1  Ambig  2.98, 2.99 A
    or (resid   36 and name  HB*) (resid   26 and name  HB1)                ! 0.4120  694:1  -----  3.09, 3.98 A
assign (resid   11 and name HD1*) (resid   30 and name  HB1) 3.15 1.35 1.35 ! 0.0000  697:1  Long   3.66, 4.44 A
assign (resid   24 and name   HN) (resid   36 and name  HB*) 3.65 1.85 1.85 ! 0.0000  698:1  Long   4.07, 4.57 A
assign (resid   34 and name   HN) (resid   34 and name  HB1) 2.30 0.50 0.50 ! 0.4942  699:1  Ambig  2.46, 2.60 A
    or (resid   26 and name   HN) (resid   26 and name  HB2)                ! 0.4622  699:1  -----  2.49, 2.56 A
assign (resid   34 and name   HN) (resid   28 and name   HG) 3.15 1.35 1.35 ! 0.9735  700:1  Long   2.53, 2.86 A
assign (resid    2 and name   HN) (resid   16 and name  HB2) 3.65 1.85 1.85 ! 0.0000  701:1  Long   2.46, 2.97 A
assign (resid   34 and name   HN) (resid   34 and name  HB2) 2.65 0.85 0.85 ! 0.8541  702:1  Intra  3.00, 3.16 A
assign (resid   36 and name   HN) (resid   36 and name  HB*) 2.65 0.85 0.85 ! 0.9968  703:1  Intra  2.50, 3.10 A
assign (resid   27 and name   HN) (resid   27 and name   HB) 2.30 0.50 0.50 ! 0.9201  704:1  Intra  2.40, 2.44 A
assign (resid   29 and name   HN) (resid   28 and name  HB2) 2.30 0.50 0.50 ! 0.6035  705:1  Ambig  2.20, 2.46 A
    or (resid   28 and name   HN) (resid   28 and name  HB2)                ! 0.3694  705:1  -----  2.39, 2.49 A
assign (resid   28 and name   HN) (resid   28 and name   HG) 2.65 0.85 0.85 ! 0.8568  706:1  Intra  2.20, 2.45 A
assign (resid   35 and name   HN) (resid   34 and name  HB1) 3.65 1.85 1.85 ! 0.0000  709:1  Seq    3.78, 3.96 A
assign (resid   17 and name   HN) (resid   16 and name  HB2) 3.15 1.35 1.35 ! 0.0000  710:1  Seq    3.32, 3.64 A
assign (resid    7 and name   HN) (resid    7 and name  HB1) 2.65 0.85 0.85 ! 0.0000  711:1  Intra  2.33, 2.52 A
assign (resid   35 and name   HN) (resid   34 and name  HB2) 3.15 1.35 1.35 ! 0.9267  713:1  Seq    3.90, 4.02 A
assign (resid   11 and name   HN) (resid   11 and name HG11) 2.65 0.85 0.85 ! 0.0000  715:1  Intra  1.80, 1.86 A
assign (resid   29 and name HD21) (resid   28 and name  HB1) 3.65 1.85 1.85 ! 0.9484  716:1  Seq    2.81, 3.80 A
assign (resid   18 and name   HN) (resid   18 and name   HB) 2.65 0.85 0.85 ! 0.0000  717:1  Intra  2.47, 2.53 A
assign (resid   18 and name   HN) (resid   16 and name  HB2) 3.65 1.85 1.85 ! 0.9971  718:1  Mid    2.66, 3.35 A
assign (resid   29 and name HD22) (resid   28 and name  HB1) 3.65 1.85 1.85 ! 0.9653  719:1  Seq    3.06, 3.79 A
assign (resid   26 and name HE21) (resid   36 and name  HB*) 3.65 1.85 1.85 ! 0.9992  720:1  Long   2.19, 4.18 A
assign (resid   32 and name  HD*) (resid   28 and name  HB2) 2.65 0.85 0.85 ! 0.9800  721:1  Mid    2.25, 4.30 A
assign (resid   34 and name HE22) (resid   34 and name  HB1) 3.65 1.85 1.85 ! 0.7860  722:1  Ambig  3.81, 4.30 A
    or (resid   33 and name   HN) (resid   28 and name  HB2)                ! 0.1060  722:1  -----  5.31, 5.39 A
assign (resid   32 and name  HD*) (resid   28 and name  HB1) 2.65 0.85 0.85 ! 0.5132  723:1  Ambig  3.26, 5.55 A
    or (resid   32 and name  HD*) (resid   28 and name   HG)                ! 0.4868  723:1  -----  3.29, 5.36 A
assign (resid    9 and name   HN) (resid    7 and name  HB1) 3.65 1.85 1.85 ! 0.0000  724:1  Mid    4.45, 4.67 A
assign (resid   32 and name  HD*) (resid   34 and name  HB2) 3.15 1.35 1.35 ! 0.0000  725:1  Mid    3.60, 4.60 A
assign (resid   26 and name HE22) (resid   36 and name  HB*) 3.15 1.35 1.35 ! 0.9521  726:1  Long   2.62, 3.69 A
assign (resid   32 and name  HE*) (resid   34 and name  HB1) 3.15 1.35 1.35 ! 0.7722  727:1  Ambig  3.15, 4.79 A
    or (resid   32 and name  HE*) (resid   28 and name  HB2)                ! 0.2278  727:1  -----  3.86, 5.59 A
assign (resid   32 and name  HE*) (resid   28 and name   HG) 3.65 1.85 1.85 ! 0.7171  728:1  Ambig  3.78, 5.68 A
    or (resid   32 and name  HE*) (resid   28 and name  HB1)                ! 0.2829  728:1  -----  4.42, 6.52 A
assign (resid   32 and name  HE*) (resid    7 and name  HB1) 3.15 1.35 1.35 ! 0.0000  729:1  Long   3.69, 5.80 A
assign (resid   32 and name  HE*) (resid   34 and name  HB2) 2.65 0.85 0.85 ! 0.0000  730:1  Mid    2.12, 3.51 A
assign (resid   18 and name   HA) (resid   18 and name   HB) 3.15 1.35 1.35 ! 0.0000  731:1  Intra  3.03, 3.04 A
assign (resid   30 and name   HA) (resid   30 and name  HG1) 3.65 1.85 1.85 ! 0.8310  732:1  Intra  3.96, 3.99 A
assign (resid   15 and name  HA2) (resid   16 and name  HG*) 3.65 1.85 1.85 ! 0.5431  733:1  Ambig  4.55, 4.90 A
    or (resid   27 and name   HA) (resid   26 and name  HB1)                ! 0.4308  733:1  -----  4.73, 4.81 A
assign (resid   16 and name  HD1) (resid   16 and name  HG*) 2.65 0.85 0.85 ! 0.9975  734:1  Intra  2.29, 2.65 A
assign (resid    1 and name   HA) (resid   18 and name   HB) 3.65 1.85 1.85 ! 0.0000  735:1  Long   3.30, 3.47 A
assign (resid   27 and name   HA) (resid   27 and name   HB) 3.15 1.35 1.35 ! 0.8677  736:1  Intra  3.03, 3.03 A
assign (resid   30 and name  HD1) (resid   30 and name  HG1) 2.65 0.85 0.85 ! 0.9971  737:1  Intra  2.33, 2.35 A
assign (resid    1 and name   HA) (resid   16 and name  HB2) 3.65 1.85 1.85 ! 0.9555  738:1  Long   2.34, 2.78 A
assign (resid   11 and name   HA) (resid   11 and name HG11) 2.65 0.85 0.85 ! 0.0000  739:1  Intra  2.93, 3.01 A
assign (resid   15 and name  HA1) (resid   16 and name  HG*) 3.15 1.35 1.35 ! 0.0000  740:1  Seq    3.74, 4.44 A
assign (resid   16 and name  HD2) (resid   16 and name  HG*) 2.65 0.85 0.85 ! 0.0000  742:1  Intra  2.27, 2.50 A
assign (resid   30 and name  HD2) (resid   30 and name  HG1) 2.65 0.85 0.85 ! 0.9950  743:1  Intra  2.67, 2.72 A
assign (resid   16 and name  HD2) (resid   16 and name  HB2) 3.65 1.85 1.85 ! 0.0000  744:1  Intra  3.91, 4.02 A
assign (resid   29 and name  HB*) (resid   28 and name  HB2) 3.65 1.85 1.85 ! 0.7678  745:1  Ambig  3.65, 4.59 A
    or (resid   29 and name  HB*) (resid   30 and name  HG1)                ! 0.2322  745:1  -----  4.45, 5.22 A
assign (resid   26 and name  HG1) (resid   26 and name  HB2) 3.15 1.35 1.35 ! 0.9907  746:1  Intra  2.45, 2.50 A
assign (resid   32 and name  HB1) (resid   28 and name  HB2) 3.65 1.85 1.85 ! 0.9847  747:1  Mid    3.13, 3.35 A
assign (resid   32 and name  HB1) (resid   28 and name  HB1) 3.65 1.85 1.85 ! 0.6031  748:1  Ambig  4.44, 4.66 A
    or (resid   32 and name  HB1) (resid   28 and name   HG)                ! 0.3969  748:1  -----  4.76, 5.26 A
assign (resid   26 and name  HG1) (resid   36 and name  HB*) 3.65 1.85 1.85 ! 0.0000  749:1  Long   4.43, 5.30 A
assign (resid   16 and name  HB1) (resid   16 and name  HG*) 2.30 0.50 0.50 ! 0.0000  750:1  Intra  2.27, 2.66 A
assign (resid   26 and name  HG2) (resid   26 and name  HB2) 2.65 0.85 0.85 ! 0.9240  751:1  Intra  2.96, 2.98 A
assign (resid   30 and name  HB1) (resid   30 and name  HG1) 2.65 0.85 0.85 ! 0.9940  753:1  Intra  2.29, 2.31 A
assign (resid   34 and name  HG1) (resid   34 and name  HB1) 2.65 0.85 0.85 ! 0.9937  754:1  Intra  2.99, 3.01 A
assign (resid   34 and name  HG2) (resid   34 and name  HB2) 2.65 0.85 0.85 ! 0.5084  756:1  Ambig  2.98, 2.99 A
    or (resid   26 and name  HB1) (resid   36 and name  HB*)                ! 0.4120  756:1  -----  3.09, 3.98 A
assign (resid   34 and name  HG1) (resid   34 and name  HB2) 2.65 0.85 0.85 ! 0.9977  757:1  Intra  2.36, 2.40 A
assign (resid   16 and name  HB2) (resid   16 and name  HG*) 2.30 0.50 0.50 ! 0.9075  758:1  Intra  2.25, 2.50 A
assign (resid   18 and name HG2*) (resid   18 and name   HB) 2.30 0.50 0.50 ! 0.5022  763:1  Ambig  2.41, 2.64 A
    or (resid   18 and name HG1*) (resid   18 and name   HB)                ! 0.4978  763:1  -----  2.41, 2.64 A
assign (resid   27 and name HG2*) (resid   27 and name   HB) 2.30 0.50 0.50 ! 0.4330  764:1  Ambig  2.39, 2.63 A
    or (resid   28 and name HD2*) (resid   34 and name  HB1)                ! 0.2619  764:1  -----  2.60, 4.35 A
    or (resid   36 and name HD1*) (resid   26 and name  HB2)                ! 0.1335  764:1  -----  2.91, 3.98 A
assign (resid   27 and name HG1*) (resid   27 and name   HB) 2.30 0.50 0.50 ! 0.9861  765:1  Intra  2.44, 2.64 A
assign (resid   11 and name HD1*) (resid   11 and name HG11) 2.30 0.50 0.50 ! 0.0000  766:1  Intra  2.42, 2.63 A
assign (resid   24 and name   HN) (resid   24 and name HG2*) 3.15 1.35 1.35 ! 0.0000  767:1  Intra  3.75, 4.32 A
assign (resid    5 and name   HN) (resid   36 and name HD2*) 3.15 1.35 1.35 ! 0.0000  768:1  Long   3.12, 4.36 A
assign (resid   26 and name   HN) (resid   36 and name   HG) 3.65 1.85 1.85 ! 0.6298  769:1  Ambig  3.94, 4.10 A
    or (resid   34 and name   HN) (resid   36 and name   HG)                ! 0.3510  769:1  -----  4.34, 4.51 A
assign (resid   36 and name   HN) (resid   36 and name   HG) 3.15 1.35 1.35 ! 0.0000  770:1  Intra  2.87, 2.97 A
assign (resid    4 and name   HN) (resid   20 and name  HB*) 3.15 1.35 1.35 ! 0.9305  771:1  Long   3.77, 4.75 A
assign (resid   12 and name   HN) (resid   11 and name   HB) 3.65 1.85 1.85 ! 0.9608  772:1  Seq    4.20, 4.23 A
assign (resid    2 and name   HN) (resid    2 and name  HB*) 2.65 0.85 0.85 ! 0.0000  773:1  Intra  2.45, 2.94 A
assign (resid   34 and name   HN) (resid   28 and name HD1*) 3.15 1.35 1.35 ! 0.5763  774:1  Ambig  3.93, 4.67 A
    or (resid   12 and name   HN) (resid   11 and name HG12)                ! 0.2823  774:1  -----  4.43, 4.49 A
assign (resid   36 and name   HN) (resid   36 and name HD2*) 3.65 1.85 1.85 ! 0.0000  775:1  Intra  4.13, 4.84 A
assign (resid   36 and name   HN) (resid   36 and name HD1*) 3.65 1.85 1.85 ! 0.8827  776:1  Intra  4.11, 4.83 A
assign (resid   12 and name   HN) (resid   11 and name HG2*) 2.30 0.50 0.50 ! 0.7770  777:1  Ambig  3.16, 3.71 A
    or (resid   26 and name   HN) (resid   36 and name HD1*)                ! 0.1170  777:1  -----  4.33, 5.32 A
assign (resid   31 and name   HN) (resid   30 and name  HB2) 3.15 1.35 1.35 ! 0.8497  778:1  Seq    3.33, 3.42 A
assign (resid   25 and name   HN) (resid   24 and name HG2*) 3.15 1.35 1.35 ! 0.0000  779:1  Seq    2.78, 3.83 A
assign (resid   28 and name   HN) (resid   28 and name HD1*) 3.15 1.35 1.35 ! 0.7331  780:1  Ambig  3.89, 4.62 A
    or (resid   29 and name   HN) (resid   28 and name HD1*)                ! 0.2669  780:1  -----  4.60, 5.45 A
assign (resid   27 and name   HN) (resid   27 and name HG2*) 2.30 0.50 0.50 ! 0.9817  781:1  Intra  2.21, 3.24 A
assign (resid   21 and name   HN) (resid   20 and name  HB*) 2.65 0.85 0.85 ! 0.9875  782:1  Seq    1.94, 2.95 A
assign (resid   17 and name   HN) (resid   17 and name HG2*) 2.65 0.85 0.85 ! 0.9275  783:1  Intra  2.58, 3.54 A
assign (resid    3 and name   HN) (resid    2 and name  HB*) 3.15 1.35 1.35 ! 0.0000  784:1  Seq    2.69, 3.71 A
assign (resid   11 and name   HN) (resid   11 and name   HB) 2.65 0.85 0.85 ! 0.9558  785:1  Intra  2.57, 2.63 A
assign (resid   21 and name   HN) (resid    1 and name HG2*) 3.65 1.85 1.85 ! 0.0000  786:1  Long   4.35, 6.09 A
assign (resid   35 and name   HN) (resid   36 and name HD2*) 3.65 1.85 1.85 ! 0.8026  788:1  Seq    4.66, 5.61 A
assign (resid   17 and name   HN) (resid   18 and name HG2*) 3.15 1.35 1.35 ! 0.9785  789:1  Seq    3.36, 4.57 A
assign (resid   11 and name   HN) (resid   11 and name HG12) 3.15 1.35 1.35 ! 0.0000  790:1  Intra  3.09, 3.17 A
assign (resid   20 and name   HN) (resid   20 and name  HB*) 2.30 0.50 0.50 ! 0.9919  791:1  Intra  2.33, 2.83 A
assign (resid   20 and name   HN) (resid    1 and name HG2*) 3.65 1.85 1.85 ! 0.0000  792:1  Long   3.03, 5.21 A
assign (resid    8 and name   HN) (resid    7 and name  HG2) 3.15 1.35 1.35 ! 0.0000  793:1  Seq    2.69, 2.96 A
assign (resid   34 and name HE21) (resid   36 and name HD2*) 3.65 1.85 1.85 ! 0.9623  794:1  Mid    1.81, 4.75 A
assign (resid   18 and name   HN) (resid    2 and name  HB*) 3.65 1.85 1.85 ! 0.6548  795:1  Ambig  3.87, 5.11 A
    or (resid   18 and name   HN) (resid   17 and name HG2*)                ! 0.2710  795:1  -----  4.48, 5.07 A
assign (resid   13 and name  HD*) (resid   17 and name HG2*) 3.15 1.35 1.35 ! 0.0000  796:1  Mid    2.41, 5.50 A
assign (resid   31 and name  HD*) (resid   11 and name   HB) 2.65 0.85 0.85 ! 0.5950  797:1  Ambig  2.13, 3.58 A
    or (resid   31 and name  HD*) (resid   30 and name  HB2)                ! 0.4050  797:1  -----  2.27, 4.71 A
assign (resid   26 and name HE21) (resid   24 and name HG2*) 3.65 1.85 1.85 ! 0.0000  798:1  Mid    4.99, 5.68 A
assign (resid    7 and name HE21) (resid    7 and name  HG2) 2.65 0.85 0.85 ! 0.0000  799:1  Intra  2.24, 2.78 A
assign (resid    7 and name HE22) (resid    7 and name  HG2) 3.15 1.35 1.35 ! 0.0000  800:1  Intra  3.44, 3.70 A
assign (resid   18 and name   HN) (resid   18 and name HG2*) 2.65 0.85 0.85 ! 0.9901  801:1  Intra  2.02, 3.15 A
assign (resid   31 and name  HD*) (resid   11 and name HG2*) 3.15 1.35 1.35 ! 0.6339  802:1  Ambig  2.92, 5.47 A
    or (resid   26 and name HE21) (resid   36 and name HD1*)                ! 0.3546  802:1  -----  3.22, 5.16 A
assign (resid    4 and name  HD2) (resid   36 and name   HG) 3.65 1.85 1.85 ! 0.7528  803:1  Ambig  4.09, 4.44 A
    or (resid   26 and name HE22) (resid   36 and name   HG)                ! 0.2472  803:1  -----  4.93, 5.62 A
assign (resid   31 and name  HE*) (resid   11 and name   HB) 3.15 1.35 1.35 ! 0.6050  804:1  Ambig  2.84, 4.18 A
    or (resid   31 and name  HE*) (resid   30 and name  HB2)                ! 0.3950  804:1  -----  3.05, 5.10 A
assign (resid   26 and name HE22) (resid   24 and name HG2*) 4.15 2.35 2.35 ! 0.0000  805:1  Mid    6.08, 6.78 A
assign (resid    9 and name   HN) (resid    7 and name  HG2) 2.65 0.85 0.85 ! 0.0000  806:1  Mid    2.33, 2.60 A
assign (resid   34 and name HE22) (resid   36 and name HD2*) 3.15 1.35 1.35 ! 0.7349  807:1  Ambig  2.68, 4.75 A
    or (resid   34 and name HE22) (resid   28 and name HD1*)                ! 0.2565  807:1  -----  3.19, 4.67 A
assign (resid   32 and name  HD*) (resid   28 and name HD1*) 2.65 0.85 0.85 ! 0.0000  808:1  Mid    1.95, 4.95 A
assign (resid    5 and name  HD*) (resid   36 and name HD2*) 2.65 0.85 0.85 ! 0.0000  809:1  Long   2.90, 4.78 A
assign (resid    4 and name  HD2) (resid   36 and name HD2*) 3.15 1.35 1.35 ! 0.9837  810:1  Long   2.35, 4.07 A
assign (resid   32 and name  HD*) (resid   28 and name HD2*) 3.15 1.35 1.35 ! 0.0000  811:1  Mid    5.05, 7.30 A
assign (resid    5 and name  HD*) (resid   36 and name HD1*) 3.65 1.85 1.85 ! 0.0000  812:1  Long   5.25, 7.52 A
assign (resid   31 and name  HE*) (resid   11 and name HG2*) 2.65 0.85 0.85 ! 0.7817  813:1  Ambig  2.70, 5.09 A
    or (resid   26 and name HE22) (resid   36 and name HD1*)                ! 0.2042  813:1  -----  3.38, 4.64 A
assign (resid   13 and name  HE*) (resid   17 and name HG2*) 2.65 0.85 0.85 ! 0.0000  814:1  Mid    2.84, 6.03 A
assign (resid   32 and name  HE*) (resid   28 and name HD1*) 2.65 0.85 0.85 ! 0.0000  815:1  Mid    1.97, 4.66 A
assign (resid    5 and name  HE*) (resid   36 and name HD2*) 2.65 0.85 0.85 ! 0.0000  816:1  Long   2.96, 4.54 A
assign (resid   32 and name  HE*) (resid   28 and name HD2*) 3.65 1.85 1.85 ! 0.0000  817:1  Mid    5.03, 7.40 A
assign (resid    9 and name  HA2) (resid   17 and name HG2*) 3.65 1.85 1.85 ! 0.0000  818:1  Long   2.04, 3.21 A
assign (resid    1 and name   HB) (resid    1 and name HG2*) 3.15 1.35 1.35 ! 0.0000  819:1  Intra  2.43, 2.65 A
assign (resid   30 and name   HA) (resid   30 and name  HB2) 3.15 1.35 1.35 ! 0.9924  820:1  Intra  2.72, 2.73 A
assign (resid   18 and name   HA) (resid   18 and name HG1*) 2.65 0.85 0.85 ! 0.5175  821:1  Ambig  2.49, 3.13 A
    or (resid   18 and name   HA) (resid   18 and name HG2*)                ! 0.4698  821:1  -----  2.53, 3.17 A
assign (resid   20 and name   HA) (resid   20 and name  HB*) 2.65 0.85 0.85 ! 0.9840  822:1  Intra  2.40, 2.65 A
assign (resid   21 and name  HB*) (resid   20 and name  HB*) 3.15 1.35 1.35 ! 0.0000  823:1  Seq    3.99, 5.70 A
assign (resid   11 and name   HA) (resid   11 and name   HB) 2.65 0.85 0.85 ! 0.9568  824:1  Intra  3.02, 3.03 A
assign (resid    1 and name   HA) (resid    1 and name HG2*) 2.65 0.85 0.85 ! 0.9929  825:1  Intra  2.35, 2.98 A
assign (resid   20 and name   HA) (resid    1 and name HG2*) 3.15 1.35 1.35 ! 0.0000  826:1  Long   2.13, 3.74 A
assign (resid   30 and name  HD1) (resid   30 and name  HB2) 3.15 1.35 1.35 ! 0.0000  827:1  Intra  3.97, 4.04 A
assign (resid   24 and name   HB) (resid   24 and name HG2*) 2.65 0.85 0.85 ! 0.9994  828:1  Intra  2.19, 2.53 A
assign (resid   27 and name   HA) (resid   28 and name HD1*) 3.65 1.85 1.85 ! 0.0000  829:1  Seq    5.67, 6.40 A
assign (resid    1 and name   HA) (resid   18 and name HG1*) 3.15 1.35 1.35 ! 0.8513  830:1  Long   4.02, 5.18 A
assign (resid   27 and name   HA) (resid   27 and name HG2*) 2.65 0.85 0.85 ! 0.9680  831:1  Intra  2.34, 3.04 A
assign (resid   11 and name   HA) (resid   11 and name HG12) 3.15 1.35 1.35 ! 0.0000  832:1  Intra  2.54, 2.60 A
assign (resid   11 and name   HA) (resid   11 and name HG2*) 2.65 0.85 0.85 ! 0.0000  833:1  Intra  2.48, 3.08 A
assign (resid   27 and name   HA) (resid   27 and name HG1*) 2.65 0.85 0.85 ! 0.0000  834:1  Intra  2.56, 3.18 A
assign (resid    9 and name  HA1) (resid   17 and name HG2*) 3.65 1.85 1.85 ! 0.6219  835:1  Ambig  3.20, 4.67 A
    or (resid    6 and name  HA1) (resid    2 and name  HB*)                ! 0.2259  835:1  -----  3.79, 5.80 A
assign (resid   19 and name  HB1) (resid   20 and name  HB*) 3.65 1.85 1.85 ! 0.0000  836:1  Seq    3.88, 4.69 A
assign (resid   30 and name  HD2) (resid   30 and name  HB2) 3.15 1.35 1.35 ! 0.0000  837:1  Intra  3.86, 3.91 A
assign (resid   12 and name  HA2) (resid   11 and name HG2*) 3.15 1.35 1.35 ! 0.0000  838:1  Seq    3.57, 4.55 A
assign (resid   33 and name  HB1) (resid   27 and name HG2*) 3.65 1.85 1.85 ! 0.9918  839:1  Long   2.45, 3.61 A
assign (resid    8 and name  HB2) (resid    2 and name  HB*) 3.15 1.35 1.35 ! 0.0000  840:1  Long   2.67, 3.29 A
assign (resid    8 and name  HB1) (resid    2 and name  HB*) 2.65 0.85 0.85 ! 0.9972  841:1  Long   2.19, 3.07 A
assign (resid   30 and name  HG2) (resid   30 and name  HB2) 2.65 0.85 0.85 ! 0.0000  843:1  Intra  2.23, 2.26 A
assign (resid    7 and name  HB2) (resid    7 and name  HG2) 3.15 1.35 1.35 ! 0.0000  845:1  Intra  2.97, 3.00 A
assign (resid   28 and name  HB1) (resid   28 and name HD1*) 2.65 0.85 0.85 ! 0.4981  846:1  Ambig  2.39, 3.05 A
    or (resid   28 and name   HG) (resid   28 and name HD1*)                ! 0.4977  846:1  -----  2.39, 2.62 A
assign (resid   34 and name  HB1) (resid   28 and name HD1*) 2.65 0.85 0.85 ! 0.6796  847:1  Ambig  2.12, 3.18 A
    or (resid   28 and name  HB2) (resid   28 and name HD1*)                ! 0.2837  847:1  -----  2.45, 3.09 A
assign (resid   18 and name   HB) (resid   18 and name HG2*) 2.30 0.50 0.50 ! 0.5022  848:1  Ambig  2.41, 2.64 A
    or (resid   18 and name   HB) (resid   18 and name HG1*)                ! 0.4978  848:1  -----  2.41, 2.64 A
assign (resid   28 and name   HG) (resid   28 and name HD2*) 2.65 0.85 0.85 ! 0.4991  849:1  Ambig  2.40, 2.61 A
    or (resid   28 and name  HB1) (resid   28 and name HD2*)                ! 0.4544  849:1  -----  2.44, 3.16 A
assign (resid   27 and name   HB) (resid   27 and name HG2*) 2.30 0.50 0.50 ! 0.5060  851:1  Ambig  2.39, 2.63 A
    or (resid   34 and name  HB1) (resid   28 and name HD2*)                ! 0.3061  851:1  -----  2.60, 4.35 A
assign (resid   27 and name   HB) (resid   27 and name HG1*) 2.30 0.50 0.50 ! 0.9893  852:1  Intra  2.44, 2.64 A
assign (resid   36 and name  HB*) (resid   36 and name HD2*) 2.65 0.85 0.85 ! 0.9961  853:1  Intra  2.26, 3.42 A
assign (resid   36 and name  HB*) (resid   36 and name HD1*) 2.30 0.50 0.50 ! 0.9377  856:1  Intra  2.35, 3.08 A
assign (resid   11 and name HD1*) (resid   30 and name  HB2) 2.30 0.50 0.50 ! 0.6855  859:1  Ambig  2.23, 3.12 A
    or (resid   11 and name HD1*) (resid   11 and name   HB)                ! 0.3145  859:1  -----  2.53, 3.13 A
assign (resid   11 and name HD1*) (resid   11 and name HG2*) 2.30 0.50 0.50 ! 0.0000  860:1  Intra  2.05, 3.72 A
assign (resid    5 and name   HN) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.0000  861:1  Long   4.04, 4.73 A
assign (resid   24 and name   HN) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.0000  862:1  Seq    3.40, 4.31 A
assign (resid   36 and name   HN) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.0000  863:1  Long   4.12, 5.22 A
assign (resid    4 and name   HN) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.9569  864:1  Long   3.04, 4.05 A
assign (resid   29 and name   HN) (resid   27 and name HG1*) 2.30 0.50 0.50 ! 0.5918  865:1  Ambig  2.99, 3.84 A
    or (resid   28 and name   HN) (resid   27 and name HG1*)                ! 0.3245  865:1  -----  3.31, 4.01 A
assign (resid   11 and name   HN) (resid   11 and name HD1*) 3.15 1.35 1.35 ! 0.0000  866:1  Intra  3.68, 4.22 A
assign (resid    4 and name  HE1) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.0000  867:1  Long   3.93, 5.30 A
assign (resid   23 and name   HN) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.0000  868:1  Intra  3.37, 4.21 A
assign (resid   31 and name  HD*) (resid   11 and name HD1*) 3.65 1.85 1.85 ! 0.0000  869:1  Long   2.91, 5.25 A
assign (resid   31 and name  HE*) (resid   11 and name HD1*) 3.15 1.35 1.35 ! 0.0000  870:1  Long   2.57, 4.85 A
assign (resid    4 and name  HD2) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.0000  871:1  Long   2.15, 3.49 A
assign (resid   11 and name   HA) (resid   11 and name HD1*) 3.15 1.35 1.35 ! 0.0000  872:1  Intra  4.40, 4.67 A
assign (resid    4 and name   HA) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.9985  873:1  Long   2.06, 2.88 A
assign (resid   23 and name   HB) (resid   23 and name HG2*) 2.65 0.85 0.85 ! 0.9985  874:1  Intra  2.29, 2.57 A
assign (resid   35 and name  HB1) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.0000  875:1  Long   2.51, 3.31 A
assign (resid    4 and name  HB1) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.0000  876:1  Long   3.84, 4.21 A
assign (resid   35 and name  HB2) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.0000  877:1  Long   3.87, 4.75 A
assign (resid    4 and name  HB2) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.0000  878:1  Long   2.31, 2.73 A
assign (resid   30 and name  HB1) (resid   11 and name HD1*) 3.15 1.35 1.35 ! 0.0000  879:1  Long   3.66, 4.44 A
assign (resid   11 and name HG11) (resid   11 and name HD1*) 2.30 0.50 0.50 ! 0.0000  880:1  Intra  2.42, 2.63 A
assign (resid   12 and name   HN) (resid   11 and name HD1*) 3.65 1.85 1.85 ! 0.0000  881:1  Seq    5.92, 6.36 A
assign (resid    5 and name   HN) (resid   34 and name  HG2) 3.65 1.85 1.85 ! 0.9961  882:1  Long   2.89, 3.12 A
assign (resid   24 and name   HN) (resid   19 and name  HB2) 3.65 1.85 1.85 ! 0.9438  883:1  Long   4.75, 4.89 A
assign (resid   36 and name   HN) (resid   26 and name  HG1) 3.65 1.85 1.85 ! 0.0000  884:1  Long   5.42, 5.50 A
assign (resid   36 and name   HN) (resid   26 and name  HG2) 3.65 1.85 1.85 ! 0.4768  885:1  Ambig  5.80, 5.96 A
    or (resid   36 and name   HN) (resid   19 and name  HB2)                ! 0.4045  885:1  -----  5.96, 6.08 A
assign (resid   36 and name   HN) (resid   26 and name  HB2) 3.65 1.85 1.85 ! 0.9679  886:1  Long   2.92, 3.07 A
assign (resid    2 and name   HN) (resid   16 and name  HG*) 3.65 1.85 1.85 ! 0.6768  887:1  Ambig  3.41, 4.42 A
    or (resid    2 and name   HN) (resid   18 and name   HB)                ! 0.3232  887:1  -----  3.86, 4.20 A
assign (resid    4 and name   HN) (resid  101 and name   H1) 3.65 1.85 1.85 ! 0.5489  890:1  Ambig  4.71, 5.19 A
    or (resid    6 and name   HN) (resid  101 and name   H1)                ! 0.4511  890:1  -----  4.87, 5.50 A
assign (resid   25 and name   HN) (resid   35 and name   HA) 3.65 1.85 1.85 ! 0.0000  891:1  Long   4.30, 4.42 A
assign (resid   34 and name   HN) (resid   33 and name   HN) 3.65 1.85 1.85 ! 0.8692  892:1  Seq    4.31, 4.38 A
assign (resid   24 and name   HN) (resid   26 and name HE21) 3.65 1.85 1.85 ! 0.0000  893:1  Mid    4.49, 5.41 A
assign (resid    7 and name   HN) (resid   32 and name  HE*) 3.65 1.85 1.85 ! 0.4971  894:1  Ambig  3.75, 5.48 A
    or (resid   17 and name   HN) (resid   13 and name  HE*)                ! 0.3239  894:1  -----  4.03, 6.36 A
assign (resid   10 and name   HN) (resid    9 and name   HN) 3.15 1.35 1.35 ! 0.7294  895:1  Ambig  1.86, 2.02 A
    or (resid   10 and name   HN) (resid   33 and name   HN)                ! 0.2650  895:1  -----  2.20, 2.32 A
assign (resid    4 and name  HE1) (resid    5 and name  HD*) 3.65 1.85 1.85 ! 0.6029  896:1  Ambig  3.93, 6.14 A
    or (resid    4 and name  HE1) (resid    4 and name  HD2)                ! 0.3971  896:1  -----  4.21, 4.23 A
assign (resid   11 and name   HN) (resid   31 and name  HD*) 3.65 1.85 1.85 ! 0.0000  897:1  Long   3.85, 4.94 A
assign (resid   35 and name   HN) (resid    8 and name   HN) 3.15 1.35 1.35 ! 0.5745  898:1  Ambig  4.15, 4.32 A
    or (resid   21 and name   HN) (resid   20 and name   HN)                ! 0.4019  898:1  -----  4.41, 4.46 A
assign (resid    7 and name   HN) (resid    8 and name   HN) 3.65 1.85 1.85 ! 0.0000  899:1  Seq    4.52, 4.57 A
assign (resid   19 and name   HN) (resid   20 and name   HN) 3.65 1.85 1.85 ! 0.0000  900:1  Seq    4.45, 4.50 A
assign (resid    2 and name   HN) (resid   20 and name   HN) 3.65 1.85 1.85 ! 0.0000  901:1  Long   3.53, 3.90 A
assign (resid    5 and name   HN) (resid   35 and name   HN) 3.65 1.85 1.85 ! 0.0000  902:1  Long   3.11, 3.24 A
assign (resid   34 and name   HN) (resid   28 and name   HN) 2.65 0.85 0.85 ! 0.6780  903:1  Ambig  3.21, 3.40 A
    or (resid   26 and name   HN) (resid   27 and name   HN)                ! 0.1422  903:1  -----  4.16, 4.25 A
assign (resid    6 and name   HN) (resid   35 and name   HN) 3.15 1.35 1.35 ! 0.8724  904:1  Long   2.80, 3.08 A
assign (resid   34 and name   HN) (resid   35 and name   HN) 3.65 1.85 1.85 ! 0.4715  905:1  Ambig  4.39, 4.42 A
    or (resid   26 and name   HN) (resid   35 and name   HN)                ! 0.3722  905:1  -----  4.57, 4.63 A
assign (resid   22 and name   HN) (resid   21 and name   HN) 3.65 1.85 1.85 ! 0.0000  906:1  Seq    4.36, 4.45 A
assign (resid    6 and name   HN) (resid    3 and name   HN) 3.65 1.85 1.85 ! 0.5667  907:1  Ambig  4.21, 4.49 A
    or (resid    4 and name   HN) (resid    3 and name   HN)                ! 0.4333  907:1  -----  4.40, 4.48 A
assign (resid   12 and name   HN) (resid   11 and name   HN) 3.65 1.85 1.85 ! 0.0000  908:1  Seq    4.34, 4.36 A
assign (resid   26 and name   HN) (resid   24 and name   HN) 3.65 1.85 1.85 ! 0.7070  909:1  Ambig  5.20, 5.36 A
    or (resid   26 and name   HN) (resid    5 and name   HN)                ! 0.1584  909:1  -----  6.68, 6.84 A
assign (resid    6 and name   HN) (resid    5 and name   HN) 2.65 0.85 0.85 ! 0.5865  910:1  Ambig  2.49, 2.58 A
    or (resid   36 and name   HN) (resid   24 and name   HN)                ! 0.4023  910:1  -----  2.65, 2.75 A
assign (resid   25 and name   HN) (resid   26 and name   HN) 3.65 1.85 1.85 ! 0.9611  911:1  Seq    4.28, 4.38 A
assign (resid    7 and name   HN) (resid    6 and name   HN) 3.65 1.85 1.85 ! 0.0000  912:1  Seq    4.39, 4.47 A
assign (resid   28 and name   HN) (resid   34 and name   HN) 2.65 0.85 0.85 ! 0.8450  913:1  Long   3.21, 3.40 A
assign (resid   35 and name   HN) (resid    5 and name   HN) 3.65 1.85 1.85 ! 0.9857  914:1  Long   3.11, 3.24 A
assign (resid   11 and name   HN) (resid   12 and name   HN) 3.65 1.85 1.85 ! 0.0000  915:1  Seq    4.34, 4.36 A
assign (resid   20 and name   HN) (resid    2 and name   HN) 3.65 1.85 1.85 ! 0.9754  916:1  Long   3.53, 3.90 A
assign (resid    8 and name   HN) (resid   35 and name   HN) 3.65 1.85 1.85 ! 0.4269  917:1  Ambig  4.15, 4.32 A
    or (resid   20 and name   HN) (resid   21 and name   HN)                ! 0.2987  917:1  -----  4.41, 4.46 A
    or (resid    8 and name   HN) (resid    7 and name   HN)                ! 0.2568  917:1  -----  4.52, 4.57 A
assign (resid   20 and name   HN) (resid   23 and name   HN) 3.65 1.85 1.85 ! 0.0000  918:1  Mid    4.81, 5.09 A
assign (resid   13 and name   HN) (resid   11 and name   HN) 3.65 1.85 1.85 ! 0.5391  919:1  Ambig  4.56, 4.64 A
    or (resid   32 and name   HN) (resid   11 and name   HN)                ! 0.4609  919:1  -----  4.68, 4.83 A
assign (resid   13 and name  HD*) (resid   14 and name   HN) 3.65 1.85 1.85 ! 0.9212  920:1  Seq    3.12, 4.38 A
assign (resid   32 and name  HD*) (resid   29 and name   HN) 3.65 1.85 1.85 ! 0.4778  921:1  Ambig  4.01, 5.37 A
    or (resid   32 and name  HD*) (resid   28 and name   HN)                ! 0.4080  921:1  -----  4.12, 5.70 A
assign (resid   13 and name  HD*) (resid   10 and name   HN) 3.65 1.85 1.85 ! 0.0000  922:1  Mid    3.67, 5.33 A
assign (resid    7 and name HE21) (resid   10 and name   HN) 3.65 1.85 1.85 ! 0.9739  924:1  Mid    2.28, 2.47 A
assign (resid   26 and name HE21) (resid   36 and name   HN) 3.65 1.85 1.85 ! 0.0000  925:1  Long   3.60, 4.84 A
assign (resid   26 and name HE21) (resid   24 and name   HN) 3.65 1.85 1.85 ! 0.0000  926:1  Mid    4.49, 5.41 A
assign (resid    5 and name  HD*) (resid    4 and name   HN) 3.65 1.85 1.85 ! 0.4983  927:1  Ambig  4.98, 6.79 A
    or (resid    5 and name  HD*) (resid    6 and name   HN)                ! 0.4415  927:1  -----  5.08, 5.50 A
assign (resid   31 and name  HE*) (resid   31 and name   HN) 3.65 1.85 1.85 ! 0.8939  928:1  Intra  4.60, 5.60 A
assign (resid   33 and name   HN) (resid   10 and name   HN) 3.65 1.85 1.85 ! 0.9779  929:1  Long   2.20, 2.32 A
assign (resid    9 and name   HN) (resid   10 and name   HN) 3.65 1.85 1.85 ! 0.9992  930:1  Seq    1.86, 2.02 A
assign (resid    4 and name  HD2) (resid    4 and name  HE1) 3.65 1.85 1.85 ! 0.6528  931:1  Ambig  4.21, 4.23 A
    or (resid    4 and name  HD2) (resid   35 and name   HN)                ! 0.3472  931:1  -----  4.68, 4.85 A
assign (resid   31 and name  HD*) (resid   11 and name   HN) 3.65 1.85 1.85 ! 0.0000  932:1  Long   3.85, 4.94 A
assign (resid   33 and name   HN) (resid   34 and name   HN) 3.65 1.85 1.85 ! 0.8692  933:1  Seq    4.31, 4.38 A
assign (resid   32 and name  HE*) (resid   34 and name   HN) 3.65 1.85 1.85 ! 0.0000  934:1  Mid    4.72, 5.90 A
assign (resid    5 and name  HE*) (resid    4 and name  HE1) 3.65 1.85 1.85 ! 0.0000  935:1  Seq    2.58, 5.01 A
assign (resid   33 and name   HN) (resid   32 and name   HN) 3.15 1.35 1.35 ! 0.8230  936:1  Seq    4.17, 4.23 A
assign (resid   32 and name  HD*) (resid   29 and name HD21) 3.15 1.35 1.35 ! 0.9881  937:1  Mid    2.30, 4.56 A
assign (resid   13 and name  HD*) (resid   13 and name   HN) 3.15 1.35 1.35 ! 0.0000  938:1  Intra  4.49, 4.72 A
assign (resid   32 and name  HE*) (resid   34 and name HE21) 3.65 1.85 1.85 ! 0.0000  939:1  Mid    2.56, 4.80 A
assign (resid    9 and name   HN) (resid    7 and name HE21) 3.65 1.85 1.85 ! 0.0000  940:1  Mid    3.01, 3.39 A
assign (resid    7 and name HE21) (resid   32 and name  HE*) 3.65 1.85 1.85 ! 0.5739  941:1  Ambig  4.38, 6.29 A
    or (resid   18 and name   HN) (resid   13 and name  HE*)                ! 0.2208  941:1  -----  5.14, 7.51 A
    or (resid    7 and name HE21) (resid   13 and name  HE*)                ! 0.2053  941:1  -----  5.20, 6.55 A
assign (resid    7 and name HE21) (resid   33 and name   HN) 3.15 1.35 1.35 ! 0.9178  942:1  Long   2.01, 2.29 A
assign (resid   34 and name HE21) (resid   32 and name  HE*) 3.65 1.85 1.85 ! 0.0000  943:1  Mid    2.56, 4.80 A
assign (resid    9 and name   HN) (resid    8 and name   HA) 3.15 1.35 1.35 ! 0.9814  944:1  Seq    3.22, 3.38 A
assign (resid   33 and name   HN) (resid   33 and name   HA) 3.15 1.35 1.35 ! 0.0000  945:1  Intra  2.94, 2.95 A
assign (resid   13 and name  HD*) (resid   15 and name   HN) 3.15 1.35 1.35 ! 0.5725  946:1  Ambig  3.17, 3.65 A
    or (resid   13 and name  HD*) (resid    8 and name   HA)                ! 0.4275  946:1  -----  3.33, 5.00 A
assign (resid   32 and name  HD*) (resid   33 and name   HA) 3.65 1.85 1.85 ! 0.0000  947:1  Seq    4.19, 5.13 A
assign (resid   18 and name   HN) (resid   17 and name   HA) 3.65 1.85 1.85 ! 0.0000  948:1  Seq    3.25, 3.34 A
assign (resid   20 and name   HN) (resid    3 and name   HA) 3.65 1.85 1.85 ! 0.9207  949:1  Long   3.34, 3.71 A
assign (resid   32 and name  HE*) (resid   34 and name   HA) 3.65 1.85 1.85 ! 0.0000  950:1  Mid    4.46, 5.08 A
assign (resid   13 and name  HE*) (resid   17 and name   HA) 3.65 1.85 1.85 ! 0.0000  951:1  Mid    2.45, 5.21 A
assign (resid   13 and name  HE*) (resid    2 and name   HA) 3.65 1.85 1.85 ! 0.3575  952:1  Ambig  4.46, 5.88 A
    or (resid   13 and name  HE*) (resid   13 and name   HA)                ! 0.3370  952:1  -----  4.51, 5.31 A
    or (resid   13 and name  HE*) (resid   17 and name   HB)                ! 0.3054  952:1  -----  4.58, 7.37 A
assign (resid   13 and name  HE*) (resid   16 and name   HA) 3.65 1.85 1.85 ! 0.5395  953:1  Ambig  4.24, 6.06 A
    or (resid    5 and name  HE*) (resid   36 and name   HA)                ! 0.3686  953:1  -----  4.52, 5.51 A
assign (resid   32 and name  HE*) (resid   32 and name   HA) 3.65 1.85 1.85 ! 0.0000  954:1  Intra  4.50, 5.25 A
assign (resid    9 and name   HN) (resid   32 and name   HA) 3.65 1.85 1.85 ! 0.5428  955:1  Ambig  4.99, 5.17 A
    or (resid    9 and name   HN) (resid   17 and name   HB)                ! 0.2844  955:1  -----  5.56, 5.98 A
assign (resid   31 and name  HE*) (resid   31 and name   HA) 3.65 1.85 1.85 ! 0.0000  957:1  Intra  4.74, 5.24 A
assign (resid   13 and name  HE*) (resid    9 and name  HA2) 3.65 1.85 1.85 ! 0.0000  958:1  Mid    4.20, 6.19 A
assign (resid   33 and name   HN) (resid   10 and name  HA1) 3.15 1.35 1.35 ! 0.9723  959:1  Long   2.51, 2.73 A
assign (resid   26 and name HE21) (resid   24 and name   HB) 3.65 1.85 1.85 ! 0.0000  960:1  Mid    3.57, 3.68 A
assign (resid   18 and name   HN) (resid    1 and name   HA) 3.65 1.85 1.85 ! 0.0000  961:1  Long   4.00, 4.30 A
assign (resid    7 and name HE22) (resid   10 and name  HA1) 3.65 1.85 1.85 ! 0.9821  962:1  Mid    2.98, 3.15 A
assign (resid   31 and name  HD*) (resid   11 and name   HA) 3.65 1.85 1.85 ! 0.6474  963:1  Ambig  4.54, 6.17 A
    or (resid   31 and name  HD*) (resid   10 and name  HA1)                ! 0.3526  963:1  -----  5.03, 6.02 A
assign (resid   20 and name   HN) (resid   23 and name   HB) 3.65 1.85 1.85 ! 0.5015  965:1  Ambig  3.89, 4.03 A
    or (resid    8 and name   HN) (resid    9 and name  HA1)                ! 0.3685  965:1  -----  4.09, 4.29 A
assign (resid   34 and name HE22) (resid    5 and name  HB2) 3.65 1.85 1.85 ! 0.8925  966:1  Long   4.91, 5.25 A
assign (resid   13 and name  HE*) (resid   13 and name  HB1) 3.65 1.85 1.85 ! 0.6625  967:1  Ambig  4.55, 5.03 A
    or (resid    5 and name  HE*) (resid    4 and name  HB2)                ! 0.3375  967:1  -----  5.09, 7.06 A
assign (resid   33 and name   HN) (resid   32 and name  HB1) 3.65 1.85 1.85 ! 0.0000  968:1  Seq    4.29, 4.34 A
assign (resid   26 and name HE21) (resid   26 and name  HB2) 3.65 1.85 1.85 ! 0.9757  969:1  Intra  1.81, 2.68 A
assign (resid    5 and name  HD*) (resid   34 and name  HG2) 3.65 1.85 1.85 ! 0.0000  970:1  Long   3.94, 5.23 A
assign (resid   31 and name  HD*) (resid   30 and name  HG2) 3.65 1.85 1.85 ! 0.9418  971:1  Seq    1.94, 3.92 A
assign (resid   34 and name HE22) (resid   34 and name  HB2) 3.65 1.85 1.85 ! 0.7711  972:1  Ambig  3.79, 4.15 A
    or (resid   33 and name   HN) (resid   34 and name  HB2)                ! 0.1872  972:1  -----  4.80, 4.96 A
assign (resid    7 and name HE21) (resid    7 and name  HB1) 3.65 1.85 1.85 ! 0.0000  973:1  Intra  4.14, 4.47 A
assign (resid    7 and name HE22) (resid    7 and name  HB1) 3.65 1.85 1.85 ! 0.0000  974:1  Intra  4.65, 4.83 A
assign (resid    5 and name  HD*) (resid   36 and name  HB*) 3.65 1.85 1.85 ! 0.5067  975:1  Ambig  5.68, 7.39 A
    or (resid    5 and name  HD*) (resid   34 and name  HB2)                ! 0.4933  975:1  -----  5.71, 7.38 A
assign (resid    8 and name   HN) (resid    7 and name  HB1) 3.65 1.85 1.85 ! 0.0000  976:1  Seq    3.91, 4.01 A
assign (resid   34 and name HE21) (resid   34 and name  HB2) 3.65 1.85 1.85 ! 0.9686  977:1  Intra  2.74, 3.45 A
assign (resid   29 and name HD21) (resid   28 and name  HB2) 3.65 1.85 1.85 ! 0.9965  978:1  Seq    2.39, 3.29 A
assign (resid    3 and name   HN) (resid   16 and name  HG*) 3.65 1.85 1.85 ! 0.0000  980:1  Long   4.39, 5.46 A
assign (resid   27 and name   HN) (resid   26 and name  HG1) 3.65 1.85 1.85 ! 0.0000  981:1  Seq    3.24, 3.40 A
assign (resid   13 and name  HD*) (resid    7 and name  HG2) 3.65 1.85 1.85 ! 0.0000  982:1  Long   2.95, 3.53 A
assign (resid   33 and name   HN) (resid    7 and name  HB1) 3.65 1.85 1.85 ! 0.0000  983:1  Long   5.16, 5.36 A
assign (resid    9 and name   HN) (resid   17 and name HG2*) 3.65 1.85 1.85 ! 0.9103  985:1  Long   3.80, 5.38 A
assign (resid    7 and name HE22) (resid    7 and name  HB2) 3.65 1.85 1.85 ! 0.0000  986:1  Intra  4.34, 4.41 A
assign (resid   26 and name HE22) (resid   26 and name  HB2) 3.65 1.85 1.85 ! 0.6469  987:1  Ambig  3.35, 3.64 A
    or (resid   31 and name  HE*) (resid   30 and name  HG1)                ! 0.3309  987:1  -----  3.74, 5.79 A
assign (resid   16 and name   HA) (resid   16 and name  HB1) 3.65 1.85 1.85 ! 0.0000  988:1  Intra  2.22, 2.24 A
assign (resid   16 and name   HA) (resid   16 and name  HB2) 3.65 1.85 1.85 ! 0.0000  989:1  Intra  2.70, 2.76 A
assign (resid    7 and name   HA) (resid    7 and name  HB1) 3.65 1.85 1.85 ! 0.9367  990:1  Intra  3.00, 3.02 A
assign (resid   31 and name   HA) (resid   31 and name  HB2) 3.65 1.85 1.85 ! 0.9828  991:1  Intra  2.98, 3.00 A
assign (resid   33 and name   HA) (resid   33 and name  HB2) 3.65 1.85 1.85 ! 0.9626  992:1  Intra  3.05, 3.07 A
assign (resid   24 and name   HA) (resid   24 and name   HB) 3.65 1.85 1.85 ! 0.9481  993:1  Intra  2.65, 2.67 A
assign (resid    9 and name  HA2) (resid    9 and name   HN) 3.65 1.85 1.85 ! 0.0000  994:1  Intra  2.83, 2.89 A
assign (resid   24 and name   HA) (resid   25 and name   HN) 3.65 1.85 1.85 ! 0.0000  995:1  Seq    2.10, 2.16 A
assign (resid   16 and name   HA) (resid   17 and name   HN) 3.65 1.85 1.85 ! 0.9995  996:1  Seq    2.11, 2.16 A
assign (resid   25 and name   HA) (resid   26 and name   HN) 3.15 1.35 1.35 ! 0.9868  997:1  Seq    2.17, 2.22 A
assign (resid   12 and name  HA1) (resid   12 and name   HN) 3.65 1.85 1.85 ! 0.8984  998:1  Intra  2.93, 2.94 A
assign (resid    6 and name  HA2) (resid    6 and name   HN) 3.65 1.85 1.85 ! 0.9503  999:1  Intra  2.91, 2.92 A
assign (resid   22 and name  HA1) (resid   22 and name   HN) 3.65 1.85 1.85 ! 0.0000 1000:1  Intra  2.91, 2.93 A
assign (resid   27 and name   HA) (resid   34 and name   HN) 3.65 1.85 1.85 ! 0.8739 1006:1  Long   3.39, 3.55 A
assign (resid    1 and name   HA) (resid   17 and name   HN) 3.65 1.85 1.85 ! 0.0000 1007:1  Long   4.92, 5.55 A
assign (resid  101 and name   H3) (resid    3 and name   HN) 3.65 1.85 1.85 ! 0.5610 1008:1  Ambig  2.48, 3.71 A
    or (resid  101 and name  H62) (resid    3 and name   HN)                ! 0.4357 1008:1  -----  2.59, 4.07 A
assign (resid    5 and name  HB2) (resid    5 and name   HN) 3.65 1.85 1.85 ! 0.9782 1009:1  Intra  3.51, 3.61 A
assign (resid    5 and name  HB2) (resid    6 and name   HN) 3.65 1.85 1.85 ! 0.8430 1010:1  Seq    3.70, 3.89 A
assign (resid    4 and name  HB2) (resid    5 and name   HN) 3.65 1.85 1.85 ! 0.9163 1011:1  Seq    4.31, 4.37 A
assign (resid   31 and name  HB1) (resid   11 and name   HN) 3.65 1.85 1.85 ! 0.0000 1012:1  Long   4.29, 4.42 A
assign (resid    9 and name  HA1) (resid    8 and name   HN) 3.65 1.85 1.85 ! 0.8285 1013:1  Seq    4.09, 4.29 A
assign (resid   23 and name   HB) (resid   23 and name   HN) 3.65 1.85 1.85 ! 0.0000 1014:1  Intra  3.68, 3.71 A
assign (resid   21 and name  HB*) (resid   23 and name   HN) 3.65 1.85 1.85 ! 0.0000 1015:1  Mid    5.08, 5.56 A
assign (resid    8 and name  HB2) (resid   13 and name  HE*) 3.65 1.85 1.85 ! 0.5685 1016:1  Ambig  4.39, 6.33 A
    or (resid    5 and name  HB2) (resid    5 and name  HE*)                ! 0.4315 1016:1  -----  4.59, 5.04 A
assign (resid    5 and name  HB1) (resid    5 and name  HE*) 3.65 1.85 1.85 ! 0.8703 1017:1  Intra  4.61, 5.04 A
assign (resid   13 and name  HB1) (resid   13 and name  HE*) 3.65 1.85 1.85 ! 0.6625 1018:1  Ambig  4.55, 5.03 A
    or (resid    4 and name  HB2) (resid    5 and name  HE*)                ! 0.3375 1018:1  -----  5.09, 7.06 A
assign (resid   32 and name  HB1) (resid   32 and name  HE*) 3.65 1.85 1.85 ! 0.0000 1019:1  Intra  4.61, 5.07 A
assign (resid   16 and name  HD1) (resid   13 and name  HE*) 3.65 1.85 1.85 ! 0.7237 1020:1  Ambig  4.41, 5.59 A
    or (resid    9 and name  HA1) (resid   13 and name  HE*)                ! 0.2183 1020:1  -----  5.39, 7.24 A
assign (resid   24 and name   HB) (resid   26 and name HE21) 3.65 1.85 1.85 ! 0.0000 1021:1  Mid    3.57, 3.68 A
assign (resid    1 and name   HA) (resid   18 and name   HN) 3.65 1.85 1.85 ! 0.0000 1022:1  Long   4.00, 4.30 A
assign (resid   30 and name  HD1) (resid   31 and name  HD*) 3.65 1.85 1.85 ! 0.9097 1023:1  Seq    4.22, 6.46 A
assign (resid   10 and name  HA1) (resid    7 and name HE21) 3.65 1.85 1.85 ! 0.0000 1024:1  Mid    2.25, 2.45 A
assign (resid   31 and name  HB1) (resid   31 and name  HE*) 3.65 1.85 1.85 ! 0.0000 1026:1  Intra  4.63, 5.06 A
assign (resid   14 and name  HB2) (resid   15 and name   HN) 3.65 1.85 1.85 ! 0.7687 1027:1  Ambig  4.06, 4.22 A
    or (resid   16 and name  HD1) (resid   15 and name   HN)                ! 0.1909 1027:1  -----  5.12, 5.21 A
assign (resid    5 and name   HA) (resid    5 and name  HB2) 3.65 1.85 1.85 ! 0.0000 1028:1  Intra  3.00, 3.02 A
assign (resid   20 and name   HA) (resid   19 and name  HB1) 3.65 1.85 1.85 ! 0.0000 1029:1  Seq    4.50, 4.61 A
assign (resid    1 and name   HB) (resid    1 and name   HA) 3.65 1.85 1.85 ! 0.9385 1030:1  Intra  2.53, 2.65 A
assign (resid    8 and name  HB2) (resid   17 and name   HB) 3.65 1.85 1.85 ! 0.7605 1031:1  Ambig  4.06, 4.66 A
    or (resid    8 and name  HB2) (resid    2 and name   HA)                ! 0.2175 1031:1  -----  5.01, 5.51 A
assign (resid   29 and name  HB*) (resid   30 and name  HG2) 3.65 1.85 1.85 ! 0.0000 1032:1  Seq    3.89, 4.53 A
assign (resid   25 and name  HB2) (resid   19 and name  HB2) 3.65 1.85 1.85 ! 0.7379 1033:1  Ambig  3.99, 4.15 A
    or (resid   35 and name  HB1) (resid   19 and name  HB2)                ! 0.2621 1033:1  -----  4.74, 4.79 A
assign (resid   16 and name  HD1) (resid   16 and name  HB1) 3.65 1.85 1.85 ! 0.0000 1034:1  Intra  2.90, 3.03 A
assign (resid    1 and name   HA) (resid   16 and name  HB1) 3.65 1.85 1.85 ! 0.9487 1035:1  Long   2.79, 3.24 A
assign (resid   30 and name  HD1) (resid   30 and name  HB1) 3.65 1.85 1.85 ! 0.0000 1036:1  Intra  3.10, 3.25 A
assign (resid   30 and name   HA) (resid   30 and name  HG2) 3.65 1.85 1.85 ! 0.9815 1037:1  Intra  3.82, 3.87 A
assign (resid    5 and name   HA) (resid   34 and name  HG1) 3.65 1.85 1.85 ! 0.9932 1038:1  Long   2.22, 2.59 A
assign (resid   18 and name   HA) (resid   19 and name  HB2) 3.65 1.85 1.85 ! 0.8859 1039:1  Seq    4.56, 4.64 A
assign (resid    9 and name  HA2) (resid   33 and name  HB2) 3.65 1.85 1.85 ! 0.7044 1040:1  Ambig  3.57, 3.64 A
    or (resid    9 and name  HA2) (resid   13 and name  HB2)                ! 0.2553 1040:1  -----  4.22, 5.17 A
assign (resid   33 and name  HB1) (resid   27 and name   HB) 3.65 1.85 1.85 ! 0.5079 1041:1  Ambig  4.82, 5.04 A
    or (resid   33 and name  HB1) (resid   34 and name  HB1)                ! 0.2125 1041:1  -----  5.57, 5.70 A
    or (resid   33 and name  HB1) (resid   28 and name  HB2)                ! 0.1530 1041:1  -----  5.88, 6.05 A
assign (resid   29 and name  HB*) (resid   30 and name  HB2) 3.65 1.85 1.85 ! 0.0000 1042:1  Seq    5.36, 5.86 A
assign (resid    4 and name  HB1) (resid   20 and name  HB*) 3.65 1.85 1.85 ! 0.7100 1043:1  Ambig  5.25, 6.67 A
    or (resid    5 and name  HB1) (resid   36 and name   HG)                ! 0.2091 1043:1  -----  6.43, 6.78 A
assign (resid   31 and name  HB1) (resid   11 and name   HB) 3.65 1.85 1.85 ! 0.9544 1044:1  Long   3.43, 3.93 A
assign (resid    4 and name  HB2) (resid   20 and name  HB*) 3.65 1.85 1.85 ! 0.9875 1045:1  Long   3.68, 5.32 A
assign (resid    8 and name  HB1) (resid   16 and name  HB2) 3.65 1.85 1.85 ! 0.4584 1047:1  Ambig  5.07, 6.58 A
    or (resid   33 and name  HB2) (resid   28 and name   HG)                ! 0.2568 1047:1  -----  5.59, 6.17 A
    or (resid   32 and name  HB2) (resid   28 and name  HB1)                ! 0.1479 1047:1  -----  6.13, 6.35 A
assign (resid   32 and name  HB2) (resid   28 and name  HB2) 3.65 1.85 1.85 ! 0.4766 1048:1  Ambig  4.84, 5.02 A
    or (resid    8 and name  HB1) (resid   34 and name  HB1)                ! 0.1163 1048:1  -----  6.12, 6.47 A
    or (resid   33 and name  HB2) (resid   34 and name  HB1)                ! 0.1060 1048:1  -----  6.22, 6.30 A
    or (resid   33 and name  HB2) (resid   27 and name   HB)                ! 0.1006 1048:1  -----  6.27, 6.49 A
    or (resid   33 and name  HB2) (resid   28 and name  HB2)                ! 0.0760 1048:1  -----  6.57, 6.67 A
assign (resid   13 and name  HB2) (resid    7 and name  HG2) 3.65 1.85 1.85 ! 0.9525 1049:1  Long   2.45, 2.94 A
assign (resid   29 and name  HB*) (resid   27 and name HG1*) 3.65 1.85 1.85 ! 0.0000 1050:1  Mid    5.25, 6.05 A
assign (resid   30 and name  HD1) (resid   27 and name HG1*) 3.65 1.85 1.85 ! 0.0000 1051:1  Mid    4.78, 5.41 A
assign (resid   30 and name   HA) (resid   27 and name HG1*) 3.65 1.85 1.85 ! 0.0000 1052:1  Mid    2.86, 3.45 A
assign (resid   16 and name  HD1) (resid   16 and name  HB2) 3.65 1.85 1.85 ! 0.9686 1054:1  Intra  3.85, 3.90 A
assign (resid   19 and name  HB1) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.0000 1055:1  Mid    3.43, 4.20 A
assign (resid   22 and name  HA2) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.0000 1056:1  Seq    4.86, 5.75 A
assign (resid   18 and name   HB) (resid    1 and name HG2*) 3.15 1.35 1.35 ! 0.0000 1058:1  Long   2.44, 4.06 A
assign (resid   30 and name  HG1) (resid   30 and name  HB2) 3.15 1.35 1.35 ! 0.0000 1059:1  Intra  2.67, 2.70 A
assign (resid   16 and name  HG*) (resid    2 and name  HB*) 3.15 1.35 1.35 ! 0.0000 1060:1  Long   2.53, 4.99 A
assign (resid   34 and name  HG2) (resid   36 and name   HG) 3.15 1.35 1.35 ! 0.8876 1061:1  Mid    2.27, 2.82 A
assign (resid   16 and name  HB2) (resid    2 and name  HB*) 3.65 1.85 1.85 ! 0.0000 1062:1  Long   2.15, 4.08 A
assign (resid   34 and name  HB1) (resid   36 and name   HG) 3.65 1.85 1.85 ! 0.0000 1063:1  Mid    2.95, 3.28 A
assign (resid    7 and name  HG1) (resid    7 and name  HB1) 3.15 1.35 1.35 ! 0.0000 1064:1  Intra  2.98, 2.99 A
assign (resid   28 and name  HB1) (resid   32 and name  HB1) 3.65 1.85 1.85 ! 0.6031 1065:1  Ambig  4.44, 4.66 A
    or (resid   28 and name   HG) (resid   32 and name  HB1)                ! 0.3969 1065:1  -----  4.76, 5.26 A
assign (resid   28 and name  HB2) (resid   32 and name  HB1) 3.15 1.35 1.35 ! 0.9847 1066:1  Mid    3.13, 3.35 A
assign (resid   28 and name  HB2) (resid   32 and name  HB2) 3.65 1.85 1.85 ! 0.5183 1067:1  Ambig  4.84, 5.02 A
    or (resid   34 and name  HB1) (resid    8 and name  HB1)                ! 0.1265 1067:1  -----  6.12, 6.47 A
    or (resid   34 and name  HB1) (resid   33 and name  HB2)                ! 0.1153 1067:1  -----  6.22, 6.30 A
    or (resid   27 and name   HB) (resid   33 and name  HB2)                ! 0.1095 1067:1  -----  6.27, 6.49 A
assign (resid   16 and name  HB2) (resid    8 and name  HB1) 3.65 1.85 1.85 ! 0.4584 1068:1  Ambig  5.07, 6.58 A
    or (resid   28 and name   HG) (resid   33 and name  HB2)                ! 0.2568 1068:1  -----  5.59, 6.17 A
    or (resid   28 and name  HB1) (resid   32 and name  HB2)                ! 0.1479 1068:1  -----  6.13, 6.35 A
assign (resid    7 and name  HG1) (resid   33 and name  HB2) 3.15 1.35 1.35 ! 0.4613 1070:1  Ambig  3.51, 3.71 A
    or (resid    7 and name  HG1) (resid   13 and name  HB2)                ! 0.4236 1070:1  -----  3.56, 4.03 A
assign (resid   19 and name  HB2) (resid   35 and name  HB2) 3.65 1.85 1.85 ! 0.9456 1071:1  Long   4.54, 4.55 A
assign (resid   30 and name  HG2) (resid   29 and name  HB*) 3.15 1.35 1.35 ! 0.0000 1072:1  Seq    3.89, 4.53 A
assign (resid   28 and name  HB2) (resid   29 and name  HB*) 3.15 1.35 1.35 ! 0.7678 1073:1  Ambig  3.65, 4.59 A
    or (resid   30 and name  HG1) (resid   29 and name  HB*)                ! 0.2322 1073:1  -----  4.45, 5.22 A
assign (resid   28 and name  HB1) (resid   29 and name  HB*) 3.65 1.85 1.85 ! 0.8291 1074:1  Seq    4.39, 5.32 A
assign (resid    2 and name  HB*) (resid    8 and name  HB1) 3.15 1.35 1.35 ! 0.9972 1075:1  Long   2.19, 3.07 A
assign (resid   20 and name  HB*) (resid    4 and name  HB2) 3.65 1.85 1.85 ! 0.5562 1076:1  Ambig  3.68, 5.32 A
    or (resid   17 and name HG2*) (resid   13 and name  HB1)                ! 0.4201 1076:1  -----  3.86, 5.01 A
assign (resid   17 and name HG2*) (resid   33 and name  HB2) 3.65 1.85 1.85 ! 0.3826 1077:1  Ambig  5.28, 6.64 A
    or (resid   17 and name HG2*) (resid    8 and name  HB1)                ! 0.3127 1077:1  -----  5.46, 6.96 A
    or (resid   17 and name HG2*) (resid   13 and name  HB2)                ! 0.3047 1077:1  -----  5.49, 6.58 A
assign (resid   19 and name  HB2) (resid   25 and name  HB2) 3.65 1.85 1.85 ! 0.7379 1078:1  Ambig  3.99, 4.15 A
    or (resid   19 and name  HB2) (resid   35 and name  HB1)                ! 0.2621 1078:1  -----  4.74, 4.79 A
assign (resid   34 and name  HG2) (resid    5 and name  HB1) 3.65 1.85 1.85 ! 0.5357 1079:1  Ambig  4.47, 4.76 A
    or (resid   34 and name  HG2) (resid   35 and name  HB2)                ! 0.3723 1079:1  -----  4.75, 5.09 A
assign (resid   16 and name  HB2) (resid   16 and name  HD2) 3.15 1.35 1.35 ! 0.0000 1080:1  Intra  3.91, 4.02 A
assign (resid    2 and name  HB*) (resid    8 and name  HB2) 3.15 1.35 1.35 ! 0.0000 1081:1  Long   2.67, 3.29 A
assign (resid   16 and name  HB1) (resid   16 and name  HD1) 3.65 1.85 1.85 ! 0.9318 1082:1  Intra  2.90, 3.03 A
assign (resid   16 and name  HB1) (resid    1 and name   HA) 3.65 1.85 1.85 ! 0.9487 1083:1  Long   2.79, 3.24 A
assign (resid   28 and name   HG) (resid   27 and name   HA) 3.65 1.85 1.85 ! 0.9027 1084:1  Seq    3.84, 4.03 A
assign (resid   27 and name   HB) (resid   33 and name  HB1) 3.65 1.85 1.85 ! 0.6450 1085:1  Ambig  4.82, 5.04 A
    or (resid   28 and name  HB2) (resid   33 and name  HB1)                ! 0.1944 1085:1  -----  5.88, 6.05 A
assign (resid   11 and name HG11) (resid   31 and name   HA) 3.65 1.85 1.85 ! 0.0000 1087:1  Long   2.96, 3.12 A
assign (resid   30 and name  HB2) (resid   30 and name  HD2) 3.15 1.35 1.35 ! 0.0000 1089:1  Intra  3.86, 3.91 A
assign (resid   11 and name   HB) (resid   11 and name   HA) 3.15 1.35 1.35 ! 0.0000 1090:1  Intra  3.02, 3.03 A
assign (resid   11 and name   HB) (resid   31 and name   HA) 3.15 1.35 1.35 ! 0.0000 1091:1  Long   2.17, 2.56 A
assign (resid   30 and name  HB1) (resid   29 and name   HA) 3.65 1.85 1.85 ! 0.0000 1093:1  Seq    5.02, 5.13 A
assign (resid   17 and name HG2*) (resid    8 and name   HA) 3.65 1.85 1.85 ! 0.7744 1095:1  Ambig  3.55, 5.13 A
    or (resid   17 and name HG2*) (resid   15 and name   HN)                ! 0.2256 1095:1  -----  4.36, 5.59 A
assign (resid    2 and name  HB*) (resid    8 and name   HA) 3.15 1.35 1.35 ! 0.0000 1096:1  Long   2.29, 3.18 A
assign (resid    2 and name  HB*) (resid   17 and name   HA) 3.65 1.85 1.85 ! 0.0000 1097:1  Long   2.94, 4.16 A
assign (resid   18 and name   HB) (resid    1 and name   HA) 3.65 1.85 1.85 ! 0.0000 1098:1  Long   3.30, 3.47 A
assign (resid   28 and name   HG) (resid   32 and name  HE*) 3.65 1.85 1.85 ! 0.7171 1099:1  Ambig  3.78, 5.68 A
    or (resid   28 and name  HB1) (resid   32 and name  HE*)                ! 0.2829 1099:1  -----  4.42, 6.52 A
assign (resid   11 and name   HB) (resid   31 and name  HE*) 3.65 1.85 1.85 ! 0.0000 1100:1  Long   2.84, 4.18 A
assign (resid   34 and name  HB2) (resid   32 and name  HD*) 3.65 1.85 1.85 ! 0.0000 1101:1  Mid    3.60, 4.60 A
assign (resid   36 and name  HB*) (resid   26 and name HE21) 3.65 1.85 1.85 ! 0.0000 1102:1  Long   2.19, 4.18 A
assign (resid   28 and name  HB1) (resid   29 and name HD22) 3.65 1.85 1.85 ! 0.9653 1103:1  Seq    3.06, 3.79 A
assign (resid   28 and name  HB2) (resid   29 and name HD22) 3.65 1.85 1.85 ! 0.9921 1104:1  Seq    3.36, 4.01 A
assign (resid    7 and name  HB2) (resid   32 and name  HD*) 3.65 1.85 1.85 ! 0.9847 1105:1  Long   3.17, 4.90 A
assign (resid    7 and name  HB2) (resid    7 and name HE21) 3.65 1.85 1.85 ! 0.0000 1106:1  Intra  4.00, 4.11 A
assign (resid   26 and name  HG1) (resid   26 and name HE22) 3.65 1.85 1.85 ! 0.0000 1107:1  Intra  3.44, 3.48 A
assign (resid   17 and name HG2*) (resid   18 and name   HN) 3.65 1.85 1.85 ! 0.8728 1108:1  Seq    4.48, 5.07 A
assign (resid    2 and name  HB*) (resid   18 and name   HN) 3.65 1.85 1.85 ! 0.9496 1109:1  Long   3.87, 5.11 A
assign (resid    1 and name HG2*) (resid   20 and name   HN) 3.65 1.85 1.85 ! 0.0000 1110:1  Long   3.03, 5.21 A
assign (resid   28 and name  HB2) (resid   29 and name HD21) 3.65 1.85 1.85 ! 0.9810 1111:1  Seq    2.39, 3.29 A
assign (resid   19 and name  HB2) (resid   25 and name   HN) 3.65 1.85 1.85 ! 0.9813 1113:1  Long   3.84, 3.97 A
assign (resid   30 and name  HB2) (resid   31 and name   HN) 3.65 1.85 1.85 ! 0.8389 1114:1  Seq    3.33, 3.42 A
assign (resid   11 and name HG12) (resid   11 and name   HN) 3.15 1.35 1.35 ! 0.0000 1115:1  Intra  3.09, 3.17 A
assign (resid    7 and name  HG2) (resid    8 and name   HN) 3.15 1.35 1.35 ! 0.0000 1117:1  Seq    2.69, 2.96 A
assign (resid   36 and name HD2*) (resid   34 and name HE21) 3.65 1.85 1.85 ! 0.0000 1118:1  Mid    1.81, 4.75 A
assign (resid    7 and name  HG2) (resid    7 and name HE22) 3.15 1.35 1.35 ! 0.0000 1119:1  Intra  3.44, 3.70 A
assign (resid   28 and name HD1*) (resid   33 and name   HA) 3.65 1.85 1.85 ! 0.0000 1120:1  Long   4.24, 5.19 A
assign (resid   27 and name HG2*) (resid   33 and name   HA) 3.15 1.35 1.35 ! 0.6086 1121:1  Ambig  3.85, 4.89 A
    or (resid   28 and name HD2*) (resid   33 and name   HA)                ! 0.3590 1121:1  -----  4.21, 5.56 A
assign (resid   27 and name HG2*) (resid   26 and name   HA) 3.15 1.35 1.35 ! 0.7612 1123:1  Ambig  3.56, 4.70 A
    or (resid   36 and name HD1*) (resid   26 and name   HA)                ! 0.1213 1123:1  -----  4.84, 6.01 A
assign (resid   28 and name HD1*) (resid   28 and name   HA) 3.65 1.85 1.85 ! 0.9180 1124:1  Intra  4.20, 4.67 A
assign (resid   36 and name  HB*) (resid   35 and name   HA) 3.65 1.85 1.85 ! 0.8586 1125:1  Seq    4.24, 4.86 A
assign (resid    2 and name  HB*) (resid    1 and name   HB) 3.65 1.85 1.85 ! 0.5389 1126:1  Ambig  4.25, 5.33 A
    or (resid   11 and name   HB) (resid   10 and name  HA2)                ! 0.3189 1126:1  -----  4.64, 4.73 A
assign (resid    7 and name  HG2) (resid    7 and name   HA) 3.15 1.35 1.35 ! 0.9529 1127:1  Intra  3.13, 3.31 A
assign (resid   27 and name HG2*) (resid   30 and name   HA) 3.65 1.85 1.85 ! 0.8961 1128:1  Mid    4.89, 5.55 A
assign (resid   11 and name HG12) (resid   11 and name   HA) 3.15 1.35 1.35 ! 0.9915 1129:1  Intra  2.54, 2.60 A
assign (resid   23 and name HG2*) (resid   22 and name  HA1) 3.65 1.85 1.85 ! 0.0000 1130:1  Seq    3.92, 5.00 A
assign (resid   11 and name HD1*) (resid   30 and name   HA) 3.65 1.85 1.85 ! 0.0000 1131:1  Long   4.30, 5.11 A
assign (resid   11 and name HD1*) (resid   31 and name   HA) 3.65 1.85 1.85 ! 0.0000 1132:1  Long   3.43, 4.63 A
assign (resid   23 and name HG2*) (resid   19 and name  HB1) 3.65 1.85 1.85 ! 0.8902 1133:1  Mid    3.43, 4.20 A
assign (resid   27 and name HG1*) (resid   28 and name   HA) 3.65 1.85 1.85 ! 0.0000 1134:1  Seq    4.04, 5.19 A
assign (resid   36 and name HD2*) (resid    5 and name  HB1) 3.65 1.85 1.85 ! 0.6252 1135:1  Ambig  4.93, 5.66 A
    or (resid   36 and name HD2*) (resid    4 and name  HB1)                ! 0.2249 1135:1  -----  5.84, 7.22 A
assign (resid   28 and name HD1*) (resid   32 and name  HB1) 3.65 1.85 1.85 ! 0.0000 1136:1  Mid    4.16, 5.28 A
assign (resid   36 and name  HB*) (resid   26 and name  HG1) 3.15 1.35 1.35 ! 0.0000 1137:1  Long   4.43, 5.30 A
assign (resid   36 and name   HG) (resid   34 and name  HG2) 2.65 0.85 0.85 ! 0.8876 1138:1  Mid    2.27, 2.82 A
assign (resid   36 and name   HG) (resid   36 and name  HB*) 2.30 0.50 0.50 ! 0.9735 1139:1  Intra  2.48, 2.75 A
assign (resid    7 and name  HB1) (resid    7 and name  HG1) 2.65 0.85 0.85 ! 0.0000 1143:1  Intra  2.98, 2.99 A
assign (resid   11 and name   HB) (resid   11 and name HG2*) 2.30 0.50 0.50 ! 0.0000 1147:1  Intra  2.43, 2.64 A
assign (resid   36 and name   HG) (resid   36 and name HD1*) 2.65 0.85 0.85 ! 0.8638 1148:1  Intra  2.42, 2.65 A
assign (resid   36 and name   HG) (resid   36 and name HD2*) 2.30 0.50 0.50 ! 0.9628 1149:1  Intra  2.39, 2.63 A
assign (resid   11 and name   HB) (resid   11 and name HD1*) 2.65 0.85 0.85 ! 0.0000 1150:1  Intra  2.53, 3.13 A
assign (resid   11 and name HG11) (resid   11 and name   HB) 2.65 0.85 0.85 ! 0.8219 1151:1  Intra  2.46, 2.50 A
assign (resid   36 and name  HB*) (resid   36 and name   HG) 2.30 0.50 0.50 ! 0.9735 1153:1  Intra  2.48, 2.75 A
assign (resid   36 and name HD2*) (resid   36 and name   HG) 2.30 0.50 0.50 ! 0.0000 1154:1  Intra  2.39, 2.63 A
assign (resid   36 and name   HG) (resid   36 and name   HN) 3.65 1.85 1.85 ! 0.9858 1155:1  Intra  2.87, 2.97 A
assign (resid   28 and name HD1*) (resid   28 and name   HN) 3.65 1.85 1.85 ! 0.7207 1156:1  Ambig  3.89, 4.62 A
    or (resid   28 and name HD1*) (resid   29 and name   HN)                ! 0.2623 1156:1  -----  4.60, 5.45 A
assign (resid   36 and name HD2*) (resid   36 and name   HN) 3.65 1.85 1.85 ! 0.8241 1157:1  Intra  4.13, 4.84 A
assign (resid   28 and name HD1*) (resid   34 and name   HN) 3.65 1.85 1.85 ! 0.8029 1158:1  Long   3.93, 4.67 A
assign (resid   36 and name HD2*) (resid    5 and name   HN) 3.65 1.85 1.85 ! 0.9808 1159:1  Long   3.12, 4.36 A
assign (resid    5 and name   HA) (resid   34 and name HE21) 3.65 1.85 1.85 ! 0.9989 1160:1  Long   1.79, 2.80 A
assign (resid   29 and name   HN) (resid   32 and name  HD*) 3.15 1.35 1.35 ! 0.4883 1161:1  Ambig  4.01, 5.37 A
    or (resid   28 and name   HN) (resid   32 and name  HD*)                ! 0.4169 1161:1  -----  4.12, 5.70 A
assign (resid   10 and name   HN) (resid    7 and name HE22) 3.65 1.85 1.85 ! 0.6423 1162:1  Ambig  3.74, 4.01 A
    or (resid   29 and name   HN) (resid   29 and name HD22)                ! 0.2904 1162:1  -----  4.27, 4.67 A
assign (resid   36 and name HD1*) (resid   26 and name HE21) 3.65 1.85 1.85 ! 0.9155 1163:1  Long   3.22, 5.16 A
assign (resid   28 and name HD2*) (resid   32 and name  HD*) 3.15 1.35 1.35 ! 0.0000 1164:1  Mid    5.05, 7.30 A
assign (resid   28 and name HD2*) (resid   32 and name  HE*) 3.65 1.85 1.85 ! 0.5462 1165:1  Ambig  5.03, 7.40 A
    or (resid   36 and name HD1*) (resid    5 and name  HE*)                ! 0.4538 1165:1  -----  5.18, 7.16 A
assign (resid   36 and name HD2*) (resid   34 and name HE22) 3.65 1.85 1.85 ! 0.0000 1166:1  Mid    2.68, 4.75 A
assign (resid   36 and name HD1*) (resid   34 and name HE22) 3.65 1.85 1.85 ! 0.7179 1167:1  Ambig  3.77, 6.21 A
    or (resid   28 and name HD2*) (resid   34 and name HE22)                ! 0.1971 1167:1  -----  4.68, 6.78 A
assign (resid   28 and name HD1*) (resid   32 and name  HE*) 3.15 1.35 1.35 ! 0.0000 1168:1  Mid    1.97, 4.66 A
assign (resid   11 and name   HN) (resid   10 and name  HA2) 3.15 1.35 1.35 ! 0.9972 1169:1  Seq    2.07, 2.11 A
assign (resid   32 and name   HN) (resid   32 and name   HA) 3.15 1.35 1.35 ! 0.9898 1170:1  Intra  2.89, 2.90 A
assign (resid   32 and name   HN) (resid   31 and name   HA) 3.15 1.35 1.35 ! 0.9266 1171:1  Seq    3.43, 3.47 A
assign (resid   33 and name   HN) (resid   10 and name  HA2) 3.15 1.35 1.35 ! 0.5970 1172:1  Ambig  3.66, 3.84 A
    or (resid   33 and name   HN) (resid    7 and name   HA)                ! 0.3067 1172:1  -----  4.09, 4.16 A
assign (resid   36 and name HD1*) (resid   36 and name   HA) 3.15 1.35 1.35 ! 0.6972 1173:1  Ambig  4.40, 4.62 A
    or (resid   27 and name HG2*) (resid   25 and name   HA)                ! 0.1055 1173:1  -----  6.03, 7.00 A
assign (resid   11 and name HG2*) (resid   12 and name  HA1) 3.15 1.35 1.35 ! 0.7681 1174:1  Ambig  3.60, 4.67 A
    or (resid   27 and name HG2*) (resid   10 and name  HA2)                ! 0.2029 1174:1  -----  4.49, 5.69 A
assign (resid    6 and name   HN) (resid    5 and name   HA) 3.15 1.35 1.35 ! 0.6518 1175:1  Ambig  2.94, 3.09 A
    or (resid    6 and name   HN) (resid    4 and name   HA)                ! 0.3482 1175:1  -----  3.26, 3.35 A
assign (resid    6 and name   HN) (resid    6 and name  HA1) 2.30 0.50 0.50 ! 0.9201 1176:1  Intra  2.32, 2.37 A
assign (resid   36 and name   HN) (resid   35 and name  HB2) 3.15 1.35 1.35 ! 0.0000 1178:1  Seq    4.38, 4.44 A
assign (resid   10 and name   HN) (resid   13 and name  HB1) 3.15 1.35 1.35 ! 0.9586 1179:1  Mid    3.29, 3.85 A
assign (resid   35 and name   HN) (resid   35 and name  HB1) 2.65 0.85 0.85 ! 0.9551 1180:1  Intra  3.07, 3.11 A
assign (resid   32 and name  HE*) (resid    7 and name  HB2) 2.65 0.85 0.85 ! 0.9914 1181:1  Long   2.02, 4.11 A
assign (resid    7 and name  HG2) (resid    7 and name  HB2) 3.15 1.35 1.35 ! 0.0000 1182:1  Intra  2.97, 3.00 A
assign (resid   30 and name  HB2) (resid   30 and name  HG2) 2.65 0.85 0.85 ! 0.0000 1183:1  Intra  2.23, 2.26 A
assign (resid   29 and name  HB*) (resid   28 and name  HB1) 3.65 1.85 1.85 ! 0.8291 1184:1  Seq    4.39, 5.32 A
assign (resid   28 and name HD1*) (resid   34 and name  HB1) 2.65 0.85 0.85 ! 0.6775 1186:1  Ambig  2.12, 3.18 A
    or (resid   28 and name HD1*) (resid   28 and name  HB2)                ! 0.2828 1186:1  -----  2.45, 3.09 A
assign (resid   28 and name HD1*) (resid   28 and name  HB1) 2.65 0.85 0.85 ! 0.4981 1187:1  Ambig  2.39, 3.05 A
    or (resid   28 and name HD1*) (resid   28 and name   HG)                ! 0.4977 1187:1  -----  2.39, 2.62 A
assign (resid   28 and name HD2*) (resid   28 and name   HG) 2.65 0.85 0.85 ! 0.4991 1188:1  Ambig  2.40, 2.61 A
    or (resid   28 and name HD2*) (resid   28 and name  HB1)                ! 0.4544 1188:1  -----  2.44, 3.16 A
assign (resid   36 and name HD1*) (resid   26 and name  HB1) 2.65 0.85 0.85 ! 0.8781 1189:1  Long   2.00, 3.17 A
assign (resid   36 and name HD2*) (resid   34 and name  HG2) 3.15 1.35 1.35 ! 0.9806 1190:1  Mid    2.68, 3.66 A
assign (resid   36 and name HD1*) (resid   36 and name  HB*) 2.30 0.50 0.50 ! 0.9377 1191:1  Intra  2.35, 3.08 A
assign (resid   36 and name HD2*) (resid   36 and name  HB*) 2.30 0.50 0.50 ! 0.9889 1192:1  Intra  2.26, 3.42 A
assign (resid   11 and name HG2*) (resid   11 and name   HB) 2.30 0.50 0.50 ! 0.9886 1193:1  Intra  2.43, 2.64 A
assign (resid   18 and name HG1*) (resid    1 and name HG2*) 2.65 0.85 0.85 ! 0.9574 1195:1  Long   2.36, 4.47 A
assign (resid   36 and name HD1*) (resid   26 and name  HG1) 3.15 1.35 1.35 ! 0.5839 1196:1  Ambig  4.14, 5.27 A
    or (resid   28 and name HD2*) (resid   26 and name  HG1)                ! 0.2759 1196:1  -----  4.69, 5.96 A
assign (resid   33 and name   HN) (resid    7 and name  HG2) 3.15 1.35 1.35 ! 0.0000 1197:1  Long   3.52, 3.87 A
assign (resid   11 and name   HN) (resid   31 and name   HN) 3.15 1.35 1.35 ! 0.5931 1198:1  Ambig  4.22, 4.37 A
    or (resid   11 and name   HN) (resid   10 and name   HN)                ! 0.3776 1198:1  -----  4.55, 4.59 A
assign (resid   35 and name   HN) (resid    6 and name   HN) 3.15 1.35 1.35 ! 0.9132 1199:1  Long   2.80, 3.08 A
assign (resid    3 and name   HN) (resid    6 and name   HN) 3.65 1.85 1.85 ! 0.5667 1200:1  Ambig  4.21, 4.49 A
    or (resid    3 and name   HN) (resid    4 and name   HN)                ! 0.4333 1200:1  -----  4.40, 4.48 A
assign (resid    9 and name   HN) (resid   13 and name  HD*) 3.15 1.35 1.35 ! 0.9707 1201:1  Mid    2.61, 4.51 A
assign (resid   33 and name   HN) (resid    7 and name HE22) 3.15 1.35 1.35 ! 0.9562 1202:1  Long   3.57, 3.60 A
assign (resid   33 and name   HN) (resid    7 and name HE21) 3.15 1.35 1.35 ! 0.0000 1203:1  Long   2.01, 2.29 A
assign (resid    5 and name  HD*) (resid   34 and name  HG1) 3.65 1.85 1.85 ! 0.0000 1204:1  Long   4.34, 5.64 A
assign (resid   35 and name  HB1) (resid   36 and name   HG) 3.65 1.85 1.85 ! 0.5399 1205:1  Ambig  5.01, 5.14 A
    or (resid   35 and name  HB1) (resid   20 and name  HB*)                ! 0.4601 1205:1  -----  5.14, 6.49 A
assign (resid    5 and name  HB1) (resid   36 and name HD2*) 3.65 1.85 1.85 ! 0.8825 1206:1  Long   4.93, 5.66 A
assign (resid   35 and name  HB2) (resid   36 and name   HG) 3.65 1.85 1.85 ! 0.5269 1207:1  Ambig  5.69, 5.84 A
    or (resid   35 and name  HB2) (resid   20 and name  HB*)                ! 0.4731 1207:1  -----  5.79, 6.81 A
assign (resid    2 and name  HB*) (resid   16 and name  HG*) 2.65 0.85 0.85 ! 0.9968 1208:1  Long   2.53, 4.99 A
assign (resid   36 and name  HB*) (resid   26 and name  HG2) 3.15 1.35 1.35 ! 0.5165 1209:1  Ambig  4.51, 5.37 A
    or (resid   34 and name  HB2) (resid    7 and name  HG1)                ! 0.4583 1209:1  -----  4.60, 4.90 A
assign (resid   11 and name   HB) (resid   11 and name HG11) 2.65 0.85 0.85 ! 0.0000 1210:1  Intra  2.46, 2.50 A
assign (resid   24 and name   HN) (resid   36 and name   HN) 2.65 0.85 0.85 ! 0.9982    0:2  Long   2.65, 2.75 A
assign (resid    6 and name   HN) (resid    5 and name   HN) 2.65 0.85 0.85 ! 0.5865    1:2  Ambig  2.49, 2.58 A
    or (resid   36 and name   HN) (resid   24 and name   HN)                ! 0.4023    1:2  -----  2.65, 2.75 A
assign (resid   33 and name   HA) (resid   34 and name   HN) 2.30 0.50 0.50 ! 0.9898    2:2  Seq    2.21, 2.27 A
assign (resid   35 and name   HA) (resid   26 and name   HN) 2.65 0.85 0.85 ! 0.9694    3:2  Long   2.48, 2.59 A
assign (resid   34 and name   HA) (resid   34 and name   HN) 3.65 1.85 1.85 ! 0.9347    4:2  Intra  2.94, 2.95 A
assign (resid   35 and name   HA) (resid   36 and name   HN) 2.30 0.50 0.50 ! 0.9971    5:2  Seq    2.01, 2.05 A
assign (resid   23 and name   HA) (resid   24 and name   HN) 2.30 0.50 0.50 ! 0.9969    6:2  Seq    2.17, 2.24 A
assign (resid   24 and name   HA) (resid   24 and name   HN) 2.65 0.85 0.85 ! 0.7027    7:2  Ambig  2.84, 2.86 A
    or (resid   36 and name   HA) (resid    5 and name   HN)                ! 0.2077    7:2  -----  3.47, 3.56 A
assign (resid   26 and name   HA) (resid   26 and name   HN) 2.65 0.85 0.85 ! 0.9577    8:2  Intra  2.87, 2.89 A
assign (resid   25 and name   HA) (resid   26 and name   HN) 2.30 0.50 0.50 ! 0.9837    9:2  Seq    2.17, 2.22 A
assign (resid    3 and name   HA) (resid    4 and name   HN) 2.65 0.85 0.85 ! 0.8747   10:2  Seq    2.26, 2.39 A
assign (resid   24 and name   HB) (resid   24 and name   HN) 3.15 1.35 1.35 ! 0.0000   11:2  Intra  3.46, 3.51 A
assign (resid   27 and name   HA) (resid   34 and name   HN) 3.15 1.35 1.35 ! 0.8506   12:2  Long   3.39, 3.55 A
assign (resid   23 and name   HB) (resid   24 and name   HN) 2.30 0.50 0.50 ! 0.9580   13:2  Seq    2.61, 2.79 A
assign (resid   33 and name  HB1) (resid   34 and name   HN) 2.65 0.85 0.85 ! 0.8396   14:2  Seq    3.00, 3.12 A
assign (resid    6 and name  HA1) (resid    6 and name   HN) 2.65 0.85 0.85 ! 0.9023   15:2  Intra  2.32, 2.37 A
assign (resid   33 and name  HB2) (resid   34 and name   HN) 3.15 1.35 1.35 ! 0.4981   16:2  Ambig  3.92, 4.00 A
    or (resid   13 and name  HB2) (resid   12 and name   HN)                ! 0.1609   16:2  -----  4.73, 4.95 A
    or (resid    8 and name  HB1) (resid   26 and name   HN)                ! 0.1468   16:2  -----  4.81, 5.13 A
assign (resid   26 and name  HB1) (resid   26 and name   HN) 2.65 0.85 0.85 ! 0.7768   17:2  Ambig  2.70, 2.78 A
    or (resid   26 and name  HB1) (resid   34 and name   HN)                ! 0.1435   17:2  -----  3.58, 3.76 A
assign (resid   26 and name  HB2) (resid   26 and name   HN) 2.30 0.50 0.50 ! 0.9786   18:2  Intra  2.49, 2.56 A
assign (resid   34 and name  HB2) (resid   34 and name   HN) 2.65 0.85 0.85 ! 0.8541   19:2  Intra  3.00, 3.16 A
assign (resid   36 and name  HB*) (resid   36 and name   HN) 2.65 0.85 0.85 ! 0.9861   20:2  Intra  2.50, 3.10 A
assign (resid   24 and name HG2*) (resid   24 and name   HN) 3.15 1.35 1.35 ! 0.0000   21:2  Intra  3.75, 4.32 A
assign (resid   28 and name HD2*) (resid   34 and name   HN) 3.15 1.35 1.35 ! 0.6419   22:2  Ambig  3.44, 4.93 A
    or (resid   36 and name HD1*) (resid   26 and name   HN)                ! 0.1614   22:2  -----  4.33, 5.32 A
assign (resid   23 and name HG2*) (resid   24 and name   HN) 3.15 1.35 1.35 ! 0.7351   23:2  Ambig  3.40, 4.31 A
    or (resid   23 and name HG2*) (resid    5 and name   HN)                ! 0.2649   23:2  -----  4.04, 4.73 A
assign (resid   34 and name   HN) (resid   28 and name   HN) 3.15 1.35 1.35 ! 0.8440   24:2  Long   3.21, 3.40 A
assign (resid   32 and name   HN) (resid   31 and name   HN) 2.30 0.50 0.50 ! 0.9486   25:2  Seq    2.08, 2.13 A
assign (resid   31 and name  HD*) (resid   31 and name   HN) 2.65 0.85 0.85 ! 0.9745   26:2  Intra  2.31, 3.78 A
assign (resid   33 and name   HA) (resid   28 and name   HN) 2.30 0.50 0.50 ! 0.9425   27:2  Long   1.98, 2.19 A
assign (resid   29 and name   HA) (resid   29 and name   HN) 2.65 0.85 0.85 ! 0.9547   28:2  Intra  2.79, 2.90 A
assign (resid   35 and name   HA) (resid   35 and name   HN) 3.15 1.35 1.35 ! 0.9973   29:2  Intra  2.88, 2.89 A
assign (resid   34 and name   HA) (resid   35 and name   HN) 2.30 0.50 0.50 ! 0.7683   30:2  Ambig  2.30, 2.35 A
    or (resid   17 and name   HA) (resid   17 and name   HN)                ! 0.2147   30:2  -----  2.84, 2.87 A
assign (resid   28 and name   HA) (resid   28 and name   HN) 2.65 0.85 0.85 ! 0.7372   31:2  Ambig  2.85, 2.89 A
    or (resid   28 and name   HA) (resid   29 and name   HN)                ! 0.2400   31:2  -----  3.43, 3.49 A
assign (resid   31 and name   HA) (resid   31 and name   HN) 3.15 1.35 1.35 ! 0.0000   32:2  Intra  2.87, 2.89 A
assign (resid   31 and name   HA) (resid   11 and name   HN) 2.65 0.85 0.85 ! 0.0000   33:2  Long   1.85, 2.02 A
assign (resid   10 and name  HA2) (resid   11 and name   HN) 2.65 0.85 0.85 ! 0.0000   34:2  Seq    2.07, 2.11 A
assign (resid   27 and name   HA) (resid   28 and name   HN) 2.30 0.50 0.50 ! 0.8516   35:2  Seq    2.03, 2.10 A
assign (resid   10 and name  HA1) (resid   11 and name   HN) 2.65 0.85 0.85 ! 0.0000   36:2  Seq    2.71, 2.76 A
assign (resid   11 and name   HA) (resid   11 and name   HN) 2.65 0.85 0.85 ! 0.0000   37:2  Intra  2.70, 2.74 A
assign (resid   31 and name  HB1) (resid   31 and name   HN) 3.15 1.35 1.35 ! 0.0000   38:2  Intra  3.57, 3.61 A
assign (resid   29 and name  HB*) (resid   29 and name   HN) 3.15 1.35 1.35 ! 0.9673   39:2  Intra  2.70, 3.33 A
assign (resid   35 and name  HB1) (resid   35 and name   HN) 2.65 0.85 0.85 ! 0.9696   40:2  Intra  3.07, 3.11 A
assign (resid   35 and name  HB2) (resid   35 and name   HN) 2.65 0.85 0.85 ! 0.9813   41:2  Intra  2.69, 2.74 A
assign (resid   31 and name  HB2) (resid   31 and name   HN) 2.65 0.85 0.85 ! 0.0000   42:2  Intra  2.32, 2.39 A
assign (resid   34 and name  HG1) (resid   35 and name   HN) 3.15 1.35 1.35 ! 0.9481   43:2  Seq    2.57, 2.77 A
assign (resid   34 and name  HG2) (resid   35 and name   HN) 3.15 1.35 1.35 ! 0.9938   44:2  Seq    2.19, 2.56 A
assign (resid   28 and name  HB2) (resid   29 and name   HN) 2.30 0.50 0.50 ! 0.4455   45:2  Ambig  2.20, 2.46 A
    or (resid   28 and name  HB2) (resid   28 and name   HN)                ! 0.2727   45:2  -----  2.39, 2.49 A
    or (resid   27 and name   HB) (resid   27 and name   HN)                ! 0.2617   45:2  -----  2.40, 2.44 A
assign (resid   28 and name   HG) (resid   28 and name   HN) 2.30 0.50 0.50 ! 0.8512   46:2  Intra  2.20, 2.45 A
assign (resid   11 and name HG11) (resid   11 and name   HN) 2.65 0.85 0.85 ! 0.0000   47:2  Intra  1.80, 1.86 A
assign (resid   28 and name HD1*) (resid   28 and name   HN) 3.15 1.35 1.35 ! 0.7207   48:2  Ambig  3.89, 4.62 A
    or (resid   28 and name HD1*) (resid   29 and name   HN)                ! 0.2623   48:2  -----  4.60, 5.45 A
assign (resid   11 and name   HB) (resid   11 and name   HN) 2.65 0.85 0.85 ! 0.0000   49:2  Intra  2.57, 2.63 A
assign (resid   27 and name HG2*) (resid   27 and name   HN) 2.65 0.85 0.85 ! 0.7887   50:2  Ambig  2.21, 3.24 A
    or (resid   28 and name HD2*) (resid   28 and name   HN)                ! 0.1555   50:2  -----  2.90, 4.15 A
assign (resid   27 and name HG1*) (resid   29 and name   HN) 2.65 0.85 0.85 ! 0.5918   51:2  Ambig  2.99, 3.84 A
    or (resid   27 and name HG1*) (resid   28 and name   HN)                ! 0.3245   51:2  -----  3.31, 4.01 A
assign (resid   31 and name   HN) (resid   32 and name   HN) 2.65 0.85 0.85 ! 0.9923   52:2  Seq    2.08, 2.13 A
assign (resid   29 and name   HN) (resid   29 and name HD21) 2.65 0.85 0.85 ! 0.5489   53:2  Ambig  3.06, 3.65 A
    or (resid   29 and name   HN) (resid   32 and name   HN)                ! 0.2990   53:2  -----  3.38, 3.54 A
assign (resid    9 and name   HN) (resid    8 and name   HN) 2.65 0.85 0.85 ! 0.9691   54:2  Seq    2.05, 2.19 A
assign (resid   34 and name   HA) (resid    8 and name   HN) 3.15 1.35 1.35 ! 0.9803   55:2  Long   2.57, 2.77 A
assign (resid   23 and name   HA) (resid   23 and name   HN) 3.15 1.35 1.35 ! 0.0000   56:2  Intra  2.90, 2.91 A
assign (resid   32 and name   HA) (resid   32 and name   HN) 3.15 1.35 1.35 ! 0.9490   57:2  Intra  2.89, 2.90 A
assign (resid   22 and name  HA1) (resid   23 and name   HN) 3.15 1.35 1.35 ! 0.0000   58:2  Seq    3.33, 3.43 A
assign (resid   21 and name   HA) (resid   23 and name   HN) 3.15 1.35 1.35 ! 0.0000   59:2  Mid    3.35, 3.59 A
assign (resid    7 and name   HA) (resid    8 and name   HN) 2.30 0.50 0.50 ! 0.9963   60:2  Seq    2.15, 2.20 A
assign (resid   22 and name  HA2) (resid   23 and name   HN) 3.15 1.35 1.35 ! 0.0000   61:2  Seq    2.94, 3.01 A
assign (resid   13 and name  HB2) (resid   13 and name   HN) 2.65 0.85 0.85 ! 0.5790   62:2  Ambig  2.56, 2.66 A
    or (resid   32 and name  HB2) (resid   32 and name   HN)                ! 0.2975   62:2  -----  2.86, 2.95 A
assign (resid   32 and name  HB1) (resid   29 and name HD21) 3.15 1.35 1.35 ! 0.8529   63:2  Mid    1.92, 2.42 A
assign (resid    7 and name  HG1) (resid    8 and name   HN) 3.15 1.35 1.35 ! 0.8932   64:2  Seq    2.31, 2.48 A
assign (resid   23 and name HG2*) (resid   23 and name   HN) 3.15 1.35 1.35 ! 0.0000   65:2  Intra  3.37, 4.21 A
assign (resid   31 and name   HN) (resid   31 and name  HD*) 2.65 0.85 0.85 ! 0.9719   66:2  Intra  2.31, 3.78 A
assign (resid   31 and name  HE*) (resid   31 and name  HD*) 2.30 0.50 0.50 ! 0.0000   70:2  Intra  2.44, 3.68 A
assign (resid   13 and name  HE*) (resid   13 and name  HD*) 2.30 0.50 0.50 ! 0.0000   71:2  Intra  2.43, 3.68 A
assign (resid   13 and name   HA) (resid   13 and name  HD*) 2.65 0.85 0.85 ! 0.0000   72:2  Intra  2.24, 3.45 A
assign (resid   31 and name   HA) (resid   31 and name  HD*) 2.65 0.85 0.85 ! 0.9505   73:2  Intra  2.66, 3.49 A
assign (resid    9 and name  HA2) (resid   13 and name  HD*) 2.65 0.85 0.85 ! 0.0000   74:2  Mid    2.63, 4.98 A
assign (resid    9 and name  HA1) (resid   13 and name  HD*) 3.15 1.35 1.35 ! 0.9504   75:2  Mid    4.16, 6.17 A
assign (resid   31 and name  HB1) (resid   31 and name  HD*) 2.65 0.85 0.85 ! 0.9664   76:2  Intra  2.35, 3.05 A
assign (resid   31 and name  HB2) (resid   31 and name  HD*) 2.30 0.50 0.50 ! 0.9693   78:2  Intra  2.31, 3.03 A
assign (resid   13 and name  HB1) (resid   13 and name  HD*) 2.30 0.50 0.50 ! 0.0000   79:2  Intra  2.26, 3.01 A
assign (resid   13 and name  HB2) (resid   13 and name  HD*) 2.30 0.50 0.50 ! 0.9669   80:2  Intra  2.59, 3.07 A
assign (resid   11 and name   HB) (resid   31 and name  HD*) 2.65 0.85 0.85 ! 0.9977   81:2  Long   2.13, 3.58 A
assign (resid   17 and name HG2*) (resid   13 and name  HD*) 3.15 1.35 1.35 ! 0.0000   82:2  Mid    2.41, 5.50 A
assign (resid   11 and name HG2*) (resid   31 and name  HD*) 3.15 1.35 1.35 ! 0.9936   83:2  Long   2.92, 5.47 A
assign (resid    4 and name  HE1) (resid    5 and name  HD*) 3.65 1.85 1.85 ! 0.6029   84:2  Ambig  3.93, 6.14 A
    or (resid    4 and name  HE1) (resid    4 and name  HD2)                ! 0.3971   84:2  -----  4.21, 4.23 A
assign (resid    4 and name  HE1) (resid    5 and name  HE*) 3.15 1.35 1.35 ! 0.0000   85:2  Seq    2.58, 5.01 A
assign (resid    8 and name   HN) (resid    9 and name   HN) 2.65 0.85 0.85 ! 0.9691   86:2  Seq    2.05, 2.19 A
assign (resid    7 and name HE21) (resid   32 and name  HD*) 3.15 1.35 1.35 ! 0.0000   87:2  Long   2.98, 5.06 A
assign (resid   31 and name  HD*) (resid   31 and name  HE*) 2.30 0.50 0.50 ! 0.0000   89:2  Intra  2.44, 3.68 A
assign (resid    7 and name HE21) (resid   33 and name   HN) 3.15 1.35 1.35 ! 0.9178   90:2  Long   2.01, 2.29 A
assign (resid   13 and name  HD*) (resid   13 and name  HE*) 2.30 0.50 0.50 ! 0.0000   91:2  Intra  2.43, 3.68 A
assign (resid   32 and name  HD*) (resid   32 and name  HE*) 2.30 0.50 0.50 ! 0.0000   92:2  Intra  2.42, 3.68 A
assign (resid    5 and name  HD*) (resid    5 and name  HE*) 2.30 0.50 0.50 ! 0.9111   93:2  Intra  2.42, 3.68 A
assign (resid   32 and name  HE*) (resid   32 and name  HD*) 2.30 0.50 0.50 ! 0.0000   94:2  Intra  2.42, 3.68 A
assign (resid    5 and name  HE*) (resid    5 and name  HD*) 2.30 0.50 0.50 ! 0.9111   95:2  Intra  2.42, 3.68 A
assign (resid   33 and name   HA) (resid   33 and name   HN) 3.15 1.35 1.35 ! 0.9210   96:2  Intra  2.94, 2.95 A
assign (resid    8 and name   HA) (resid    9 and name   HN) 3.15 1.35 1.35 ! 0.9633   97:2  Seq    3.22, 3.38 A
assign (resid    8 and name   HA) (resid   13 and name  HE*) 2.65 0.85 0.85 ! 0.9591   98:2  Long   2.04, 4.09 A
assign (resid   32 and name   HA) (resid   32 and name  HD*) 2.65 0.85 0.85 ! 0.0000   99:2  Intra  2.27, 3.41 A
assign (resid   36 and name   HA) (resid    4 and name  HD2) 2.65 0.85 0.85 ! 0.9888  100:2  Long   2.02, 2.15 A
assign (resid   32 and name   HA) (resid   33 and name   HN) 2.30 0.50 0.50 ! 0.9934  101:2  Seq    2.05, 2.12 A
assign (resid   10 and name  HA2) (resid   33 and name   HN) 3.15 1.35 1.35 ! 0.3686  102:2  Ambig  3.66, 3.84 A
    or (resid    7 and name   HA) (resid    9 and name   HN)                ! 0.2680  102:2  -----  3.86, 4.00 A
    or (resid    7 and name   HA) (resid   33 and name   HN)                ! 0.1894  102:2  -----  4.09, 4.16 A
assign (resid    9 and name  HA2) (resid   13 and name  HE*) 3.65 1.85 1.85 ! 0.0000  103:2  Mid    4.20, 6.19 A
assign (resid    9 and name  HA2) (resid    9 and name   HN) 3.15 1.35 1.35 ! 0.9752  104:2  Intra  2.83, 2.89 A
assign (resid    7 and name   HA) (resid   32 and name  HE*) 3.15 1.35 1.35 ! 0.8127  105:2  Long   3.37, 4.64 A
assign (resid    4 and name   HA) (resid    4 and name  HD2) 2.30 0.50 0.50 ! 0.6104  106:2  Ambig  2.33, 2.47 A
    or (resid    5 and name   HA) (resid    5 and name  HD*)                ! 0.3084  106:2  -----  2.61, 3.45 A
assign (resid    9 and name  HA1) (resid    9 and name   HN) 2.65 0.85 0.85 ! 0.9662  107:2  Intra  2.62, 2.74 A
assign (resid   33 and name  HB1) (resid    9 and name   HN) 3.15 1.35 1.35 ! 0.6898  108:2  Ambig  3.31, 3.90 A
    or (resid   33 and name  HB1) (resid   33 and name   HN)                ! 0.3102  108:2  -----  3.78, 3.81 A
assign (resid    4 and name  HB1) (resid    5 and name  HD*) 3.15 1.35 1.35 ! 0.8530  109:2  Seq    2.61, 4.93 A
assign (resid    5 and name  HB2) (resid    5 and name  HD*) 2.65 0.85 0.85 ! 0.9791  110:2  Intra  2.31, 3.03 A
assign (resid    5 and name  HB1) (resid    5 and name  HD*) 2.65 0.85 0.85 ! 0.9735  111:2  Intra  2.37, 3.05 A
assign (resid   32 and name  HB2) (resid   32 and name  HD*) 2.30 0.50 0.50 ! 0.9861  112:2  Intra  2.52, 3.08 A
assign (resid    4 and name  HB2) (resid    4 and name  HD2) 3.15 1.35 1.35 ! 0.7076  113:2  Ambig  3.38, 3.61 A
    or (resid    4 and name  HB2) (resid    5 and name  HD*)                ! 0.1824  113:2  -----  4.23, 6.21 A
assign (resid   33 and name  HB2) (resid    9 and name   HN) 2.65 0.85 0.85 ! 0.8699  114:2  Long   1.86, 2.29 A
assign (resid    8 and name  HB1) (resid   13 and name  HE*) 3.15 1.35 1.35 ! 0.4199  115:2  Ambig  4.30, 6.22 A
    or (resid   32 and name  HB2) (resid   32 and name  HE*)                ! 0.2456  115:2  -----  4.70, 5.04 A
    or (resid   13 and name  HB2) (resid   13 and name  HE*)                ! 0.2316  115:2  -----  4.75, 5.03 A
assign (resid   32 and name  HB1) (resid   32 and name  HD*) 2.65 0.85 0.85 ! 0.0000  116:2  Intra  2.32, 3.05 A
assign (resid    7 and name  HG1) (resid    9 and name   HN) 2.65 0.85 0.85 ! 0.5338  117:2  Ambig  2.22, 2.67 A
    or (resid    7 and name  HG1) (resid   33 and name   HN)                ! 0.4662  117:2  -----  2.27, 2.43 A
assign (resid    7 and name  HB2) (resid   32 and name  HE*) 2.65 0.85 0.85 ! 0.9835  118:2  Long   2.02, 4.11 A
assign (resid   28 and name  HB2) (resid   32 and name  HD*) 2.65 0.85 0.85 ! 0.9800  119:2  Mid    2.25, 4.30 A
assign (resid   28 and name  HB1) (resid   32 and name  HD*) 3.15 1.35 1.35 ! 0.5132  120:2  Ambig  3.26, 5.55 A
    or (resid   28 and name   HG) (resid   32 and name  HD*)                ! 0.4868  120:2  -----  3.29, 5.36 A
assign (resid    7 and name  HB1) (resid   13 and name  HE*) 2.65 0.85 0.85 ! 0.8390  121:2  Long   2.80, 4.27 A
assign (resid   34 and name  HB1) (resid   32 and name  HE*) 3.15 1.35 1.35 ! 0.7722  122:2  Ambig  3.15, 4.79 A
    or (resid   28 and name  HB2) (resid   32 and name  HE*)                ! 0.2278  122:2  -----  3.86, 5.59 A
assign (resid   34 and name  HB2) (resid   32 and name  HE*) 2.65 0.85 0.85 ! 0.0000  123:2  Mid    2.12, 3.51 A
assign (resid   28 and name HD1*) (resid   32 and name  HD*) 2.65 0.85 0.85 ! 0.0000  124:2  Mid    1.95, 4.95 A
assign (resid   36 and name HD2*) (resid    4 and name  HD2) 2.65 0.85 0.85 ! 0.7738  125:2  Ambig  2.35, 4.07 A
    or (resid   36 and name HD2*) (resid    5 and name  HD*)                ! 0.2190  125:2  -----  2.90, 4.78 A
assign (resid    7 and name  HG2) (resid    9 and name   HN) 2.65 0.85 0.85 ! 0.9228  126:2  Mid    2.33, 2.60 A
assign (resid   17 and name HG2*) (resid   13 and name  HE*) 2.65 0.85 0.85 ! 0.0000  127:2  Mid    2.84, 6.03 A
assign (resid   28 and name HD1*) (resid   32 and name  HE*) 2.65 0.85 0.85 ! 0.9199  128:2  Mid    1.97, 4.66 A
assign (resid   11 and name HG2*) (resid   31 and name  HE*) 2.65 0.85 0.85 ! 0.0000  129:2  Long   2.70, 5.09 A
assign (resid   23 and name HG2*) (resid    4 and name  HD2) 3.15 1.35 1.35 ! 0.9962  130:2  Long   2.15, 3.49 A
assign (resid   11 and name HD1*) (resid   31 and name  HE*) 3.15 1.35 1.35 ! 0.0000  131:2  Long   2.57, 4.85 A
assign (resid   34 and name   HN) (resid   33 and name   HA) 2.30 0.50 0.50 ! 0.9985  132:2  Seq    2.21, 2.27 A
assign (resid   36 and name   HN) (resid   35 and name   HA) 2.30 0.50 0.50 ! 0.9971  133:2  Seq    2.01, 2.05 A
assign (resid   26 and name   HN) (resid   35 and name   HA) 2.65 0.85 0.85 ! 0.0000  134:2  Long   2.48, 2.59 A
assign (resid   34 and name   HN) (resid   34 and name   HA) 3.15 1.35 1.35 ! 0.0000  135:2  Intra  2.94, 2.95 A
assign (resid   28 and name   HN) (resid   33 and name   HA) 2.30 0.50 0.50 ! 0.9435  136:2  Long   1.98, 2.19 A
assign (resid   29 and name   HN) (resid   29 and name   HA) 2.65 0.85 0.85 ! 0.9299  137:2  Intra  2.79, 2.90 A
assign (resid   35 and name   HN) (resid   35 and name   HA) 3.15 1.35 1.35 ! 0.0000  138:2  Intra  2.88, 2.89 A
assign (resid   35 and name   HN) (resid   34 and name   HA) 2.30 0.50 0.50 ! 0.0000  139:2  Seq    2.30, 2.35 A
assign (resid    8 and name   HN) (resid    8 and name   HA) 3.15 1.35 1.35 ! 0.9232  140:2  Intra  2.94, 2.96 A
assign (resid    8 and name   HN) (resid   34 and name   HA) 3.15 1.35 1.35 ! 0.9803  141:2  Long   2.57, 2.77 A
assign (resid   33 and name   HN) (resid   33 and name   HA) 3.15 1.35 1.35 ! 0.5933  142:2  Ambig  2.94, 2.95 A
    or (resid    9 and name   HN) (resid    8 and name   HA)                ! 0.3428  142:2  -----  3.22, 3.38 A
assign (resid    9 and name   HN) (resid    8 and name   HA) 3.15 1.35 1.35 ! 0.8567  143:2  Seq    3.22, 3.38 A
assign (resid   13 and name  HE*) (resid    8 and name   HA) 2.65 0.85 0.85 ! 0.9591  144:2  Long   2.04, 4.09 A
assign (resid   13 and name  HE*) (resid   17 and name   HA) 3.15 1.35 1.35 ! 0.9711  145:2  Mid    2.45, 5.21 A
assign (resid   17 and name   HA) (resid    8 and name   HA) 3.15 1.35 1.35 ! 0.9683  146:2  Long   2.27, 3.12 A
assign (resid    8 and name   HA) (resid   17 and name   HA) 2.65 0.85 0.85 ! 0.9863  147:2  Long   2.27, 3.12 A
assign (resid   17 and name   HB) (resid   17 and name   HA) 2.30 0.50 0.50 ! 0.9982  148:2  Intra  2.51, 2.55 A
assign (resid    7 and name   HA) (resid   34 and name   HA) 2.65 0.85 0.85 ! 0.9921  149:2  Long   2.10, 2.20 A
assign (resid   27 and name   HA) (resid   33 and name   HA) 2.30 0.50 0.50 ! 0.0000  150:2  Long   2.20, 2.34 A
assign (resid    3 and name  HB2) (resid  101 and name   H1) 2.65 0.85 0.85 ! 0.9975  151:2  Long   2.44, 2.88 A
assign (resid    3 and name  HB1) (resid  101 and name   H1) 2.30 0.50 0.50 ! 0.0000  152:2  Long   2.22, 2.53 A
assign (resid  101 and name   H2) (resid  101 and name   H1) 2.65 0.85 0.85 ! 0.0000  153:2  Intra  2.49, 2.74 A
assign (resid   33 and name  HB1) (resid   33 and name   HA) 2.65 0.85 0.85 ! 0.9951  154:2  Intra  2.41, 2.44 A
assign (resid   30 and name  HD2) (resid   29 and name   HA) 2.65 0.85 0.85 ! 0.0000  155:2  Seq    3.08, 3.13 A
assign (resid    8 and name  HB2) (resid    8 and name   HA) 2.65 0.85 0.85 ! 0.9983  156:2  Intra  2.39, 2.43 A
assign (resid   35 and name  HB1) (resid   35 and name   HA) 2.65 0.85 0.85 ! 0.9001  157:2  Intra  2.87, 2.90 A
assign (resid    8 and name  HB2) (resid   17 and name   HA) 2.65 0.85 0.85 ! 0.9835  159:2  Long   2.56, 3.28 A
assign (resid    8 and name  HB1) (resid    8 and name   HA) 2.30 0.50 0.50 ! 0.7888  160:2  Ambig  2.37, 2.42 A
    or (resid   33 and name  HB2) (resid   33 and name   HA)                ! 0.1743  160:2  -----  3.05, 3.07 A
assign (resid   35 and name  HB2) (resid   35 and name   HA) 2.65 0.85 0.85 ! 0.0000  161:2  Intra  2.89, 2.91 A
assign (resid    8 and name  HB1) (resid   34 and name   HA) 3.65 1.85 1.85 ! 0.7862  162:2  Ambig  3.63, 3.82 A
    or (resid   33 and name  HB2) (resid   34 and name   HA)                ! 0.1644  162:2  -----  4.71, 4.77 A
assign (resid    8 and name  HB1) (resid   34 and name   HA) 3.15 1.35 1.35 ! 0.4673  163:2  Ambig  3.63, 3.82 A
    or (resid    8 and name  HB1) (resid   17 and name   HA)                ! 0.3912  163:2  -----  3.74, 4.60 A
assign (resid   34 and name  HG1) (resid   34 and name   HA) 2.65 0.85 0.85 ! 0.0000  164:2  Intra  2.59, 2.67 A
assign (resid   34 and name  HG2) (resid   34 and name   HA) 2.65 0.85 0.85 ! 0.9804  165:2  Intra  3.01, 3.18 A
assign (resid   34 and name  HB1) (resid   34 and name   HA) 2.65 0.85 0.85 ! 0.8329  166:2  Intra  3.02, 3.03 A
assign (resid   34 and name  HB2) (resid   34 and name   HA) 2.65 0.85 0.85 ! 0.9983  167:2  Intra  2.35, 2.43 A
assign (resid    2 and name  HB*) (resid    8 and name   HA) 3.15 1.35 1.35 ! 0.0000  168:2  Long   2.29, 3.18 A
assign (resid   17 and name HG2*) (resid   17 and name   HA) 2.65 0.85 0.85 ! 0.0000  169:2  Intra  2.36, 3.00 A
assign (resid   27 and name HG1*) (resid   29 and name   HA) 3.15 1.35 1.35 ! 0.0000  170:2  Mid    3.24, 4.46 A
assign (resid   24 and name   HN) (resid   23 and name   HA) 2.65 0.85 0.85 ! 0.9969  171:2  Seq    2.17, 2.24 A
assign (resid   24 and name   HN) (resid   24 and name   HA) 2.65 0.85 0.85 ! 0.6660  172:2  Ambig  2.84, 2.86 A
    or (resid    5 and name   HN) (resid   36 and name   HA)                ! 0.1968  172:2  -----  3.47, 3.56 A
assign (resid   26 and name   HN) (resid   25 and name   HA) 2.30 0.50 0.50 ! 0.9918  173:2  Seq    2.17, 2.22 A
assign (resid   36 and name   HN) (resid   36 and name   HA) 2.65 0.85 0.85 ! 0.6011  174:2  Ambig  2.88, 2.89 A
    or (resid   36 and name   HN) (resid   25 and name   HA)                ! 0.3183  174:2  -----  3.20, 3.34 A
assign (resid   28 and name   HN) (resid   28 and name   HA) 2.65 0.85 0.85 ! 0.7544  175:2  Ambig  2.85, 2.89 A
    or (resid   29 and name   HN) (resid   28 and name   HA)                ! 0.2456  175:2  -----  3.43, 3.49 A
assign (resid   31 and name   HN) (resid   31 and name   HA) 3.15 1.35 1.35 ! 0.0000  176:2  Intra  2.87, 2.89 A
assign (resid   11 and name   HN) (resid   31 and name   HA) 2.30 0.50 0.50 ! 0.9986  177:2  Long   1.85, 2.02 A
assign (resid   35 and name   HN) (resid    7 and name   HA) 3.15 1.35 1.35 ! 0.6292  178:2  Ambig  3.76, 3.94 A
    or (resid   35 and name   HN) (resid    6 and name  HA2)                ! 0.1704  178:2  -----  4.68, 4.78 A
    or (resid   21 and name   HN) (resid    1 and name   HB)                ! 0.1309  178:2  -----  4.89, 5.57 A
assign (resid   23 and name   HN) (resid   23 and name   HA) 3.15 1.35 1.35 ! 0.9918  179:2  Intra  2.90, 2.91 A
assign (resid   32 and name   HN) (resid   32 and name   HA) 3.15 1.35 1.35 ! 0.9557  180:2  Intra  2.89, 2.90 A
assign (resid   32 and name   HN) (resid   31 and name   HA) 3.15 1.35 1.35 ! 0.9266  181:2  Seq    3.43, 3.47 A
assign (resid   23 and name   HN) (resid   22 and name  HA1) 3.15 1.35 1.35 ! 0.0000  182:2  Seq    3.33, 3.43 A
assign (resid   23 and name   HN) (resid   21 and name   HA) 3.15 1.35 1.35 ! 0.0000  183:2  Mid    3.35, 3.59 A
assign (resid    8 and name   HN) (resid    7 and name   HA) 2.30 0.50 0.50 ! 0.8728  184:2  Seq    2.15, 2.20 A
assign (resid   13 and name  HD*) (resid   13 and name   HA) 2.65 0.85 0.85 ! 0.0000  185:2  Intra  2.24, 3.45 A
assign (resid    7 and name HE21) (resid   32 and name   HA) 3.15 1.35 1.35 ! 0.9764  186:2  Long   2.07, 2.55 A
assign (resid   31 and name  HD*) (resid   31 and name   HA) 2.65 0.85 0.85 ! 0.0000  187:2  Intra  2.66, 3.49 A
assign (resid   13 and name  HD*) (resid    9 and name  HA2) 2.65 0.85 0.85 ! 0.0000  188:2  Mid    2.63, 4.98 A
assign (resid   32 and name  HD*) (resid   32 and name   HA) 2.65 0.85 0.85 ! 0.0000  189:2  Intra  2.27, 3.41 A
assign (resid   33 and name   HN) (resid   32 and name   HA) 2.30 0.50 0.50 ! 0.9997  190:2  Seq    2.05, 2.12 A
assign (resid    4 and name  HD2) (resid   36 and name   HA) 2.65 0.85 0.85 ! 0.9875  191:2  Long   2.02, 2.15 A
assign (resid   33 and name   HN) (resid   10 and name  HA2) 3.15 1.35 1.35 ! 0.3919  192:2  Ambig  3.66, 3.84 A
    or (resid    9 and name   HN) (resid    7 and name   HA)                ! 0.2850  192:2  -----  3.86, 4.00 A
    or (resid   33 and name   HN) (resid    7 and name   HA)                ! 0.2013  192:2  -----  4.09, 4.16 A
assign (resid    9 and name   HN) (resid    9 and name  HA2) 3.15 1.35 1.35 ! 0.9752  193:2  Intra  2.83, 2.89 A
assign (resid   32 and name  HE*) (resid    7 and name   HA) 3.15 1.35 1.35 ! 0.8784  194:2  Long   3.37, 4.64 A
assign (resid   17 and name   HA) (resid   17 and name   HB) 2.30 0.50 0.50 ! 0.9935  196:2  Intra  2.51, 2.55 A
assign (resid   35 and name   HA) (resid   25 and name   HA) 2.30 0.50 0.50 ! 0.9826  197:2  Long   2.01, 2.13 A
assign (resid   34 and name   HA) (resid    7 and name   HA) 2.65 0.85 0.85 ! 0.9919  198:2  Long   2.10, 2.20 A
assign (resid    3 and name  HB2) (resid    3 and name   HA) 2.30 0.50 0.50 ! 0.9513  200:2  Intra  2.36, 2.50 A
assign (resid    3 and name  HB1) (resid    3 and name   HA) 2.30 0.50 0.50 ! 0.6038  201:2  Ambig  2.31, 2.40 A
    or (resid   14 and name  HB2) (resid   14 and name   HA)                ! 0.3912  201:2  -----  2.48, 2.57 A
assign (resid   24 and name   HB) (resid   24 and name   HA) 2.30 0.50 0.50 ! 0.8638  202:2  Intra  2.65, 2.67 A
assign (resid   21 and name  HB*) (resid   21 and name   HA) 2.30 0.50 0.50 ! 0.9815  205:2  Intra  2.33, 2.69 A
assign (resid   23 and name   HB) (resid   23 and name   HA) 2.30 0.50 0.50 ! 0.0000  206:2  Intra  2.49, 2.56 A
assign (resid   19 and name  HB1) (resid   19 and name   HA) 2.65 0.85 0.85 ! 0.9732  207:2  Intra  2.46, 2.50 A
assign (resid   14 and name  HB1) (resid   14 and name   HA) 2.65 0.85 0.85 ! 0.9987  208:2  Intra  2.29, 2.35 A
assign (resid   19 and name  HB1) (resid   24 and name   HA) 3.65 1.85 1.85 ! 0.9310  209:2  Long   4.52, 4.56 A
assign (resid   25 and name  HB2) (resid   25 and name   HA) 2.65 0.85 0.85 ! 0.9152  214:2  Intra  2.43, 2.45 A
assign (resid   31 and name  HB1) (resid   31 and name   HA) 2.65 0.85 0.85 ! 0.0000  215:2  Intra  2.48, 2.53 A
assign (resid   13 and name  HB1) (resid   13 and name   HA) 2.65 0.85 0.85 ! 0.9919  216:2  Intra  3.01, 3.03 A
assign (resid   13 and name  HB2) (resid   13 and name   HA) 2.65 0.85 0.85 ! 0.9508  217:2  Intra  2.43, 2.48 A
assign (resid   25 and name  HB1) (resid   25 and name   HA) 2.65 0.85 0.85 ! 0.9113  218:2  Intra  3.01, 3.02 A
assign (resid   32 and name  HB2) (resid   32 and name   HA) 2.65 0.85 0.85 ! 0.8905  219:2  Intra  2.40, 2.44 A
assign (resid   31 and name  HB2) (resid   31 and name   HA) 2.65 0.85 0.85 ! 0.0000  220:2  Intra  2.98, 3.00 A
assign (resid   33 and name  HB2) (resid    9 and name  HA2) 3.15 1.35 1.35 ! 0.6844  221:2  Ambig  3.57, 3.64 A
    or (resid   13 and name  HB2) (resid    9 and name  HA2)                ! 0.2480  221:2  -----  4.22, 5.17 A
assign (resid   26 and name  HG1) (resid   26 and name   HA) 3.15 1.35 1.35 ! 0.0000  222:2  Intra  2.15, 2.21 A
assign (resid   32 and name  HB1) (resid   32 and name   HA) 3.15 1.35 1.35 ! 0.0000  223:2  Intra  3.00, 3.01 A
assign (resid   26 and name  HG2) (resid   26 and name   HA) 2.30 0.50 0.50 ! 0.5920  224:2  Ambig  2.82, 2.85 A
    or (resid   19 and name  HB2) (resid   19 and name   HA)                ! 0.3798  224:2  -----  3.03, 3.05 A
assign (resid   26 and name  HB1) (resid   26 and name   HA) 2.30 0.50 0.50 ! 0.9865  225:2  Intra  2.94, 2.95 A
assign (resid   16 and name  HB1) (resid   16 and name   HA) 2.30 0.50 0.50 ! 0.0000  226:2  Intra  2.22, 2.24 A
assign (resid   19 and name  HB2) (resid   24 and name   HA) 2.65 0.85 0.85 ! 0.8209  227:2  Long   3.51, 3.53 A
assign (resid    7 and name  HG1) (resid    7 and name   HA) 2.65 0.85 0.85 ! 0.9796  228:2  Intra  2.35, 2.46 A
assign (resid    7 and name  HB2) (resid    7 and name   HA) 2.65 0.85 0.85 ! 0.9448  229:2  Intra  2.36, 2.45 A
assign (resid   30 and name  HB1) (resid   30 and name   HA) 2.30 0.50 0.50 ! 0.0000  230:2  Intra  2.28, 2.30 A
assign (resid   30 and name  HG2) (resid   30 and name   HA) 3.15 1.35 1.35 ! 0.9815  231:2  Intra  3.82, 3.87 A
assign (resid   28 and name  HB2) (resid   28 and name   HA) 2.65 0.85 0.85 ! 0.9377  232:2  Intra  3.00, 3.02 A
assign (resid   28 and name  HB1) (resid   28 and name   HA) 2.30 0.50 0.50 ! 0.8246  233:2  Intra  2.41, 2.46 A
assign (resid   26 and name  HB2) (resid   26 and name   HA) 2.65 0.85 0.85 ! 0.0000  234:2  Intra  2.62, 2.66 A
assign (resid   16 and name  HG*) (resid   16 and name   HA) 3.15 1.35 1.35 ! 0.0000  235:2  Intra  3.76, 3.90 A
assign (resid   16 and name  HB2) (resid   16 and name   HA) 2.65 0.85 0.85 ! 0.9979  236:2  Intra  2.70, 2.76 A
assign (resid    7 and name  HB1) (resid    7 and name   HA) 3.15 1.35 1.35 ! 0.9367  237:2  Intra  3.00, 3.02 A
assign (resid   30 and name  HG1) (resid   30 and name   HA) 3.15 1.35 1.35 ! 0.9661  238:2  Intra  3.96, 3.99 A
assign (resid   18 and name   HB) (resid   18 and name   HA) 2.65 0.85 0.85 ! 0.0000  239:2  Intra  3.03, 3.04 A
assign (resid   36 and name  HB*) (resid   36 and name   HA) 2.30 0.50 0.50 ! 0.9833  240:2  Intra  2.41, 2.72 A
assign (resid   28 and name HD1*) (resid   28 and name   HA) 3.15 1.35 1.35 ! 0.0000  242:2  Intra  4.20, 4.67 A
assign (resid    2 and name  HB*) (resid   19 and name   HA) 2.30 0.50 0.50 ! 0.7954  243:2  Ambig  1.92, 3.09 A
    or (resid    2 and name  HB*) (resid    2 and name   HA)                ! 0.2046  243:2  -----  2.41, 2.64 A
assign (resid   17 and name HG2*) (resid   17 and name   HB) 2.30 0.50 0.50 ! 0.6565  244:2  Ambig  2.44, 2.65 A
    or (resid   20 and name  HB*) (resid    3 and name   HA)                ! 0.3435  244:2  -----  2.71, 3.67 A
assign (resid   24 and name HG2*) (resid   24 and name   HA) 2.65 0.85 0.85 ! 0.9961  245:2  Intra  2.07, 2.67 A
assign (resid   36 and name HD2*) (resid   36 and name   HA) 2.30 0.50 0.50 ! 0.9994  246:2  Intra  2.03, 2.93 A
assign (resid   30 and name  HB2) (resid   31 and name   HA) 3.15 1.35 1.35 ! 0.0000  247:2  Seq    4.00, 4.11 A
assign (resid   11 and name   HB) (resid   31 and name   HA) 3.15 1.35 1.35 ! 0.0000  248:2  Long   2.17, 2.56 A
assign (resid    1 and name HG2*) (resid    1 and name   HB) 2.30 0.50 0.50 ! 0.9911  249:2  Intra  2.43, 2.65 A
assign (resid   30 and name  HB2) (resid   30 and name   HA) 2.30 0.50 0.50 ! 0.9924  250:2  Intra  2.72, 2.73 A
assign (resid   28 and name HD2*) (resid   28 and name   HA) 2.65 0.85 0.85 ! 0.9966  251:2  Intra  2.11, 2.96 A
assign (resid   36 and name HD1*) (resid   36 and name   HA) 3.15 1.35 1.35 ! 0.7794  252:2  Ambig  4.40, 4.62 A
    or (resid   36 and name HD1*) (resid   25 and name   HA)                ! 0.1122  252:2  -----  6.08, 7.04 A
assign (resid   27 and name HG1*) (resid   30 and name   HA) 3.65 1.85 1.85 ! 0.0000  253:2  Mid    2.86, 3.45 A
assign (resid   18 and name HG1*) (resid   18 and name   HA) 2.30 0.50 0.50 ! 0.5242  254:2  Ambig  2.49, 3.13 A
    or (resid   18 and name HG2*) (resid   18 and name   HA)                ! 0.4758  254:2  -----  2.53, 3.17 A
assign (resid   23 and name HG2*) (resid   23 and name   HA) 2.65 0.85 0.85 ! 0.9939  255:2  Intra  2.26, 2.91 A
assign (resid   23 and name HG2*) (resid   36 and name   HA) 3.15 1.35 1.35 ! 0.6467  256:2  Ambig  3.37, 4.67 A
    or (resid   23 and name HG2*) (resid    3 and name   HA)                ! 0.3057  256:2  -----  3.82, 5.08 A
assign (resid   24 and name   HN) (resid   24 and name   HB) 3.15 1.35 1.35 ! 0.0000  257:2  Intra  3.46, 3.51 A
assign (resid   24 and name   HN) (resid   23 and name   HB) 2.30 0.50 0.50 ! 0.9555  258:2  Seq    2.61, 2.79 A
assign (resid   34 and name   HN) (resid   27 and name   HA) 3.15 1.35 1.35 ! 0.9797  259:2  Long   3.39, 3.55 A
assign (resid    6 and name   HN) (resid    6 and name  HA1) 2.65 0.85 0.85 ! 0.9201  260:2  Intra  2.32, 2.37 A
assign (resid   34 and name   HN) (resid   33 and name  HB1) 2.65 0.85 0.85 ! 0.0000  261:2  Seq    3.00, 3.12 A
assign (resid   28 and name   HN) (resid   27 and name   HA) 2.30 0.50 0.50 ! 0.9593  262:2  Seq    2.03, 2.10 A
assign (resid   11 and name   HN) (resid   11 and name   HA) 2.65 0.85 0.85 ! 0.5018  263:2  Ambig  2.70, 2.74 A
    or (resid   11 and name   HN) (resid   10 and name  HA1)                ! 0.4982  263:2  -----  2.71, 2.76 A
assign (resid   23 and name   HN) (resid   22 and name  HA2) 3.15 1.35 1.35 ! 0.9095  264:2  Seq    2.94, 3.01 A
assign (resid   13 and name  HD*) (resid    9 and name  HA1) 3.15 1.35 1.35 ! 0.8313  265:2  Mid    4.16, 6.17 A
assign (resid   31 and name  HD*) (resid   30 and name  HD2) 3.15 1.35 1.35 ! 0.9821  266:2  Seq    2.63, 5.05 A
assign (resid    4 and name  HD2) (resid    4 and name   HA) 2.30 0.50 0.50 ! 0.6104  267:2  Ambig  2.33, 2.47 A
    or (resid    5 and name  HD*) (resid    5 and name   HA)                ! 0.3084  267:2  -----  2.61, 3.45 A
assign (resid    9 and name   HN) (resid    9 and name  HA1) 3.15 1.35 1.35 ! 0.9602  268:2  Intra  2.62, 2.74 A
assign (resid    4 and name  HD2) (resid   23 and name   HB) 3.65 1.85 1.85 ! 0.9379  269:2  Long   3.90, 4.45 A
assign (resid    9 and name   HN) (resid   33 and name  HB1) 3.15 1.35 1.35 ! 0.6898  270:2  Ambig  3.31, 3.90 A
    or (resid   33 and name   HN) (resid   33 and name  HB1)                ! 0.3102  270:2  -----  3.78, 3.81 A
assign (resid    5 and name  HE*) (resid    5 and name   HA) 3.15 1.35 1.35 ! 0.7727  271:2  Ambig  4.69, 5.18 A
    or (resid    5 and name  HE*) (resid    4 and name   HA)                ! 0.2273  271:2  -----  5.75, 6.79 A
assign (resid   33 and name   HA) (resid   27 and name   HA) 2.30 0.50 0.50 ! 0.0000  272:2  Long   2.20, 2.34 A
assign (resid   33 and name   HA) (resid   33 and name  HB1) 2.65 0.85 0.85 ! 0.0000  273:2  Intra  2.41, 2.44 A
assign (resid  101 and name   H1) (resid    3 and name  HB2) 2.65 0.85 0.85 ! 0.9975  274:2  Long   2.44, 2.88 A
assign (resid   29 and name   HA) (resid   30 and name  HD1) 2.30 0.50 0.50 ! 0.0000  276:2  Seq    2.52, 2.59 A
assign (resid  101 and name   H1) (resid  101 and name   H2) 2.65 0.85 0.85 ! 0.8434  277:2  Intra  2.49, 2.74 A
assign (resid  101 and name   H1) (resid  101 and name  H61) 2.30 0.50 0.50 ! 0.4929  278:2  Ambig  2.21, 4.12 A
    or (resid  101 and name   H1) (resid    3 and name  HB1)                ! 0.4814  278:2  -----  2.22, 2.53 A
assign (resid   35 and name   HA) (resid   23 and name   HB) 3.15 1.35 1.35 ! 0.9465  280:2  Long   3.90, 4.00 A
assign (resid   29 and name   HA) (resid   30 and name  HD2) 2.65 0.85 0.85 ! 0.0000  281:2  Seq    3.08, 3.13 A
assign (resid    3 and name   HA) (resid    3 and name  HB2) 2.30 0.50 0.50 ! 0.9513  282:2  Intra  2.36, 2.50 A
assign (resid   24 and name   HA) (resid   24 and name   HB) 2.30 0.50 0.50 ! 0.8960  283:2  Intra  2.65, 2.67 A
assign (resid    3 and name   HA) (resid    3 and name  HB1) 2.30 0.50 0.50 ! 0.6889  284:2  Ambig  2.31, 2.40 A
    or (resid   32 and name   HA) (resid   10 and name  HA1)                ! 0.3024  284:2  -----  2.65, 2.86 A
assign (resid   14 and name   HA) (resid   14 and name  HB2) 2.30 0.50 0.50 ! 0.9905  285:2  Intra  2.48, 2.57 A
assign (resid   23 and name   HA) (resid   23 and name   HB) 2.30 0.50 0.50 ! 0.9674  286:2  Intra  2.49, 2.56 A
assign (resid   14 and name   HA) (resid   14 and name  HB1) 2.30 0.50 0.50 ! 0.9898  287:2  Intra  2.29, 2.35 A
assign (resid   19 and name   HA) (resid   19 and name  HB1) 2.65 0.85 0.85 ! 0.9732  288:2  Intra  2.46, 2.50 A
assign (resid   21 and name   HA) (resid   21 and name  HB*) 2.30 0.50 0.50 ! 0.0000  291:2  Intra  2.33, 2.69 A
assign (resid   19 and name  HB1) (resid   20 and name   HA) 3.15 1.35 1.35 ! 0.6050  299:2  Ambig  4.50, 4.61 A
    or (resid   19 and name  HB1) (resid    4 and name   HA)                ! 0.3477  299:2  -----  4.93, 5.08 A
assign (resid   33 and name  HB1) (resid   27 and name   HA) 2.65 0.85 0.85 ! 0.0000  300:2  Long   2.20, 2.61 A
assign (resid   16 and name  HD2) (resid   15 and name  HA2) 2.65 0.85 0.85 ! 0.0000  301:2  Seq    2.49, 2.79 A
assign (resid   16 and name  HD2) (resid   15 and name  HA1) 2.30 0.50 0.50 ! 0.0000  303:2  Seq    1.98, 2.12 A
assign (resid    5 and name  HB2) (resid    5 and name   HA) 2.65 0.85 0.85 ! 0.9149  304:2  Intra  3.00, 3.02 A
assign (resid   35 and name  HB1) (resid    4 and name   HA) 2.65 0.85 0.85 ! 0.9719  305:2  Long   2.27, 2.33 A
assign (resid    4 and name  HB1) (resid    4 and name   HA) 2.65 0.85 0.85 ! 0.8425  306:2  Intra  3.02, 3.04 A
assign (resid   29 and name  HB*) (resid   30 and name  HD1) 2.30 0.50 0.50 ! 0.0000  307:2  Seq    2.86, 3.57 A
assign (resid   29 and name  HB*) (resid   30 and name  HD2) 2.30 0.50 0.50 ! 0.0000  309:2  Seq    1.81, 2.57 A
assign (resid   35 and name  HB1) (resid   23 and name   HB) 2.65 0.85 0.85 ! 0.9859  310:2  Long   2.37, 2.52 A
assign (resid    5 and name  HB1) (resid    5 and name   HA) 2.30 0.50 0.50 ! 0.8850  311:2  Intra  2.48, 2.54 A
assign (resid   33 and name  HB2) (resid   27 and name   HA) 3.15 1.35 1.35 ! 0.8612  312:2  Long   3.70, 4.04 A
assign (resid    4 and name  HB2) (resid    4 and name   HA) 2.65 0.85 0.85 ! 0.9531  313:2  Intra  2.52, 2.60 A
assign (resid   33 and name  HB2) (resid    9 and name  HA1) 2.65 0.85 0.85 ! 0.9726  314:2  Long   2.15, 2.33 A
assign (resid   35 and name  HB2) (resid   23 and name   HB) 3.15 1.35 1.35 ! 0.8129  315:2  Long   3.46, 3.55 A
assign (resid   34 and name  HG1) (resid    5 and name   HA) 3.15 1.35 1.35 ! 0.9922  317:2  Long   2.22, 2.59 A
assign (resid   34 and name  HG2) (resid    5 and name   HA) 2.65 0.85 0.85 ! 0.9752  318:2  Long   2.10, 2.38 A
assign (resid   30 and name  HG2) (resid   30 and name  HD1) 2.65 0.85 0.85 ! 0.8731  319:2  Intra  2.96, 2.98 A
assign (resid   30 and name  HG2) (resid   30 and name  HD2) 2.65 0.85 0.85 ! 0.9931  320:2  Intra  2.19, 2.21 A
assign (resid   30 and name  HB1) (resid   30 and name  HD2) 3.15 1.35 1.35 ! 0.0000  321:2  Intra  3.86, 3.91 A
assign (resid   27 and name   HB) (resid   27 and name   HA) 2.65 0.85 0.85 ! 0.8015  323:2  Intra  3.03, 3.03 A
assign (resid   16 and name  HB2) (resid    1 and name   HA) 3.15 1.35 1.35 ! 0.9555  324:2  Long   2.34, 2.78 A
assign (resid   30 and name  HG1) (resid   30 and name  HD1) 2.65 0.85 0.85 ! 0.9983  325:2  Intra  2.33, 2.35 A
assign (resid   16 and name  HG*) (resid   16 and name  HD1) 2.65 0.85 0.85 ! 0.0000  326:2  Intra  2.29, 2.65 A
assign (resid   30 and name  HG1) (resid   30 and name  HD2) 2.65 0.85 0.85 ! 0.0000  327:2  Intra  2.67, 2.72 A
assign (resid   16 and name  HG*) (resid   15 and name  HA1) 2.65 0.85 0.85 ! 0.0000  328:2  Seq    3.74, 4.44 A
assign (resid   16 and name  HG*) (resid   16 and name  HD2) 2.65 0.85 0.85 ! 0.0000  329:2  Intra  2.27, 2.50 A
assign (resid   11 and name HG11) (resid   11 and name   HA) 2.65 0.85 0.85 ! 0.9257  330:2  Intra  2.93, 3.01 A
assign (resid   20 and name  HB*) (resid   20 and name   HA) 2.30 0.50 0.50 ! 0.9728  331:2  Intra  2.40, 2.65 A
assign (resid    1 and name HG2*) (resid   20 and name   HA) 2.65 0.85 0.85 ! 0.0000  332:2  Long   2.13, 3.74 A
assign (resid   36 and name HD2*) (resid    5 and name   HA) 2.65 0.85 0.85 ! 0.8743  333:2  Long   3.08, 4.00 A
assign (resid   24 and name HG2*) (resid   24 and name   HB) 2.30 0.50 0.50 ! 0.0000  334:2  Intra  2.19, 2.53 A
assign (resid    1 and name HG2*) (resid    1 and name   HA) 2.65 0.85 0.85 ! 0.9929  335:2  Intra  2.35, 2.98 A
assign (resid   11 and name   HB) (resid   11 and name   HA) 2.65 0.85 0.85 ! 0.9437  336:2  Intra  3.02, 3.03 A
assign (resid   27 and name HG2*) (resid   27 and name   HA) 2.30 0.50 0.50 ! 0.0000  337:2  Intra  2.34, 3.04 A
assign (resid   27 and name HG1*) (resid   27 and name   HA) 2.65 0.85 0.85 ! 0.0000  338:2  Intra  2.56, 3.18 A
assign (resid   11 and name HG12) (resid   11 and name   HA) 2.65 0.85 0.85 ! 0.9915  339:2  Intra  2.54, 2.60 A
assign (resid   11 and name HG2*) (resid   11 and name   HA) 2.30 0.50 0.50 ! 0.9193  340:2  Intra  2.48, 3.08 A
assign (resid   23 and name HG2*) (resid    4 and name   HA) 2.65 0.85 0.85 ! 0.9920  341:2  Long   2.06, 2.88 A
assign (resid   11 and name HD1*) (resid   11 and name   HA) 3.15 1.35 1.35 ! 0.8770  342:2  Intra  4.40, 4.67 A
assign (resid   23 and name HG2*) (resid   23 and name   HB) 2.30 0.50 0.50 ! 0.9955  343:2  Intra  2.29, 2.57 A
assign (resid   34 and name   HN) (resid   33 and name  HB2) 3.15 1.35 1.35 ! 0.8213  344:2  Seq    3.92, 4.00 A
assign (resid   31 and name   HN) (resid   31 and name  HB1) 3.15 1.35 1.35 ! 0.0000  345:2  Intra  3.57, 3.61 A
assign (resid   29 and name   HN) (resid   29 and name  HB*) 3.15 1.35 1.35 ! 0.9673  346:2  Intra  2.70, 3.33 A
assign (resid   31 and name   HN) (resid   31 and name  HB2) 2.65 0.85 0.85 ! 0.0000  347:2  Intra  2.32, 2.39 A
assign (resid   35 and name   HN) (resid   35 and name  HB1) 2.65 0.85 0.85 ! 0.9725  348:2  Intra  3.07, 3.11 A
assign (resid   35 and name   HN) (resid   35 and name  HB2) 2.65 0.85 0.85 ! 0.9915  349:2  Intra  2.69, 2.74 A
assign (resid   13 and name   HN) (resid   13 and name  HB2) 2.65 0.85 0.85 ! 0.6560  350:2  Ambig  2.56, 2.66 A
    or (resid   32 and name   HN) (resid   32 and name  HB2)                ! 0.3371  350:2  -----  2.86, 2.95 A
assign (resid    8 and name   HN) (resid    8 and name  HB1) 3.15 1.35 1.35 ! 0.5211  351:2  Ambig  2.93, 3.05 A
    or (resid    8 and name   HN) (resid   33 and name  HB2)                ! 0.4557  351:2  -----  2.99, 3.14 A
assign (resid   31 and name  HD*) (resid   31 and name  HB1) 2.30 0.50 0.50 ! 0.0000  352:2  Intra  2.35, 3.05 A
assign (resid   29 and name HD22) (resid   29 and name  HB*) 3.15 1.35 1.35 ! 0.5751  353:2  Ambig  3.45, 3.71 A
    or (resid   31 and name  HD*) (resid   29 and name  HB*)                ! 0.4249  353:2  -----  3.63, 6.16 A
assign (resid   13 and name  HD*) (resid   13 and name  HB1) 2.30 0.50 0.50 ! 0.0000  355:2  Intra  2.26, 3.01 A
assign (resid   31 and name  HD*) (resid   31 and name  HB2) 2.30 0.50 0.50 ! 0.9693  356:2  Intra  2.31, 3.03 A
assign (resid    7 and name HE21) (resid   13 and name  HB2) 3.15 1.35 1.35 ! 0.9820  357:2  Long   1.83, 2.97 A
assign (resid   13 and name  HD*) (resid   13 and name  HB2) 2.30 0.50 0.50 ! 0.9669  358:2  Intra  2.59, 3.07 A
assign (resid   31 and name  HE*) (resid   31 and name  HB1) 3.15 1.35 1.35 ! 0.0000  359:2  Intra  4.63, 5.06 A
assign (resid    5 and name  HD*) (resid    5 and name  HB2) 2.30 0.50 0.50 ! 0.9791  360:2  Intra  2.31, 3.03 A
assign (resid    5 and name  HD*) (resid    5 and name  HB1) 2.30 0.50 0.50 ! 0.9735  361:2  Intra  2.37, 3.05 A
assign (resid    4 and name  HD2) (resid    4 and name  HB2) 3.15 1.35 1.35 ! 0.7950  362:2  Ambig  3.38, 3.61 A
    or (resid    5 and name  HD*) (resid    4 and name  HB2)                ! 0.2050  362:2  -----  4.23, 6.21 A
assign (resid   31 and name  HE*) (resid   31 and name  HB2) 3.15 1.35 1.35 ! 0.0000  363:2  Intra  4.61, 5.03 A
assign (resid   32 and name  HD*) (resid   32 and name  HB2) 2.30 0.50 0.50 ! 0.9861  364:2  Intra  2.52, 3.08 A
assign (resid    9 and name   HN) (resid   33 and name  HB2) 2.65 0.85 0.85 ! 0.8699  365:2  Long   1.86, 2.29 A
assign (resid    5 and name  HE*) (resid    5 and name  HB2) 3.15 1.35 1.35 ! 0.0000  366:2  Intra  4.59, 5.04 A
assign (resid    5 and name  HE*) (resid    5 and name  HB1) 3.15 1.35 1.35 ! 0.0000  367:2  Intra  4.61, 5.04 A
assign (resid   32 and name  HE*) (resid   32 and name  HB2) 3.15 1.35 1.35 ! 0.9122  368:2  Intra  4.70, 5.04 A
assign (resid    8 and name   HA) (resid    8 and name  HB2) 2.30 0.50 0.50 ! 0.0000  369:2  Intra  2.39, 2.43 A
assign (resid   17 and name   HA) (resid    8 and name  HB2) 2.65 0.85 0.85 ! 0.9818  370:2  Long   2.56, 3.28 A
assign (resid   29 and name   HA) (resid   29 and name  HB*) 2.30 0.50 0.50 ! 0.0000  371:2  Intra  2.40, 2.74 A
assign (resid   35 and name   HA) (resid   35 and name  HB1) 2.65 0.85 0.85 ! 0.8980  372:2  Intra  2.87, 2.90 A
assign (resid   35 and name   HA) (resid   35 and name  HB2) 2.65 0.85 0.85 ! 0.0000  373:2  Intra  2.89, 2.91 A
assign (resid   33 and name   HA) (resid   33 and name  HB2) 2.65 0.85 0.85 ! 0.9626  374:2  Intra  3.05, 3.07 A
assign (resid   34 and name   HA) (resid    8 and name  HB1) 3.15 1.35 1.35 ! 0.4673  375:2  Ambig  3.63, 3.82 A
    or (resid   17 and name   HA) (resid    8 and name  HB1)                ! 0.3912  375:2  -----  3.74, 4.60 A
assign (resid   17 and name   HB) (resid    8 and name  HB2) 3.65 1.85 1.85 ! 0.9719  376:2  Long   4.06, 4.66 A
assign (resid   25 and name   HA) (resid   25 and name  HB2) 2.65 0.85 0.85 ! 0.9364  377:2  Intra  2.43, 2.45 A
assign (resid   26 and name   HA) (resid   25 and name  HB1) 3.15 1.35 1.35 ! 0.4934  378:2  Ambig  4.72, 4.84 A
    or (resid   17 and name   HB) (resid   25 and name  HB1)                ! 0.4189  378:2  -----  4.85, 5.41 A
assign (resid   13 and name   HA) (resid   13 and name  HB1) 2.65 0.85 0.85 ! 0.9919  379:2  Intra  3.01, 3.03 A
assign (resid   25 and name   HA) (resid   25 and name  HB1) 2.65 0.85 0.85 ! 0.8223  380:2  Intra  3.01, 3.02 A
assign (resid   13 and name   HA) (resid   13 and name  HB2) 2.30 0.50 0.50 ! 0.9508  381:2  Intra  2.43, 2.48 A
assign (resid   32 and name   HA) (resid   32 and name  HB2) 2.30 0.50 0.50 ! 0.9025  382:2  Intra  2.40, 2.44 A
assign (resid   31 and name   HA) (resid   31 and name  HB1) 2.65 0.85 0.85 ! 0.0000  383:2  Intra  2.48, 2.53 A
assign (resid   31 and name   HA) (resid   31 and name  HB2) 2.65 0.85 0.85 ! 0.0000  384:2  Intra  2.98, 3.00 A
assign (resid   10 and name  HA2) (resid   33 and name  HB2) 3.15 1.35 1.35 ! 0.5937  385:2  Ambig  3.41, 3.86 A
    or (resid    7 and name   HA) (resid    8 and name  HB1)                ! 0.1928  385:2  -----  4.11, 4.23 A
    or (resid    7 and name   HA) (resid   33 and name  HB2)                ! 0.0854  385:2  -----  4.71, 4.83 A
assign (resid    9 and name  HA2) (resid   13 and name  HB1) 3.15 1.35 1.35 ! 0.9811  386:2  Mid    3.05, 3.82 A
assign (resid    9 and name  HA2) (resid   33 and name  HB2) 3.15 1.35 1.35 ! 0.6844  387:2  Ambig  3.57, 3.64 A
    or (resid    9 and name  HA2) (resid   13 and name  HB2)                ! 0.2480  387:2  -----  4.22, 5.17 A
assign (resid   30 and name  HD1) (resid   29 and name  HB*) 2.30 0.50 0.50 ! 0.0000  388:2  Seq    2.86, 3.57 A
assign (resid    5 and name   HA) (resid    5 and name  HB1) 2.30 0.50 0.50 ! 0.8850  389:2  Intra  2.48, 2.54 A
assign (resid    4 and name   HA) (resid    4 and name  HB2) 2.65 0.85 0.85 ! 0.9531  390:2  Intra  2.52, 2.60 A
assign (resid   27 and name   HA) (resid   33 and name  HB2) 3.65 1.85 1.85 ! 0.9545  391:2  Long   3.70, 4.04 A
assign (resid   30 and name  HD2) (resid   29 and name  HB*) 2.30 0.50 0.50 ! 0.0000  392:2  Seq    1.81, 2.57 A
assign (resid   19 and name  HB1) (resid   35 and name  HB2) 3.15 1.35 1.35 ! 0.0000  393:2  Long   3.49, 3.51 A
assign (resid   23 and name HG2*) (resid    4 and name  HB1) 2.65 0.85 0.85 ! 0.5131  408:2  Ambig  3.84, 4.21 A
    or (resid   23 and name HG2*) (resid   35 and name  HB2)                ! 0.4869  408:2  -----  3.87, 4.75 A
assign (resid   23 and name HG2*) (resid    4 and name  HB2) 3.15 1.35 1.35 ! 0.0000  409:2  Long   2.31, 2.73 A
assign (resid   26 and name   HN) (resid   26 and name  HG1) 3.15 1.35 1.35 ! 0.0000  410:2  Intra  4.27, 4.33 A
assign (resid   26 and name   HN) (resid   26 and name  HG2) 3.15 1.35 1.35 ! 0.8826  411:2  Intra  4.50, 4.52 A
assign (resid   26 and name   HN) (resid   26 and name  HB1) 2.65 0.85 0.85 ! 0.9752  412:2  Ambig  2.70, 2.78 A
    or (resid   34 and name   HN) (resid   26 and name  HB1)                ! 0.0000  412:2  -----  0.00, 0.00 A
    or (resid   34 and name   HN) (resid   34 and name  HG2)                ! 0.0000  412:2  -----  0.00, 0.00 A
    or (resid   26 and name   HN) (resid   34 and name  HG2)                ! 0.0000  412:2  -----  0.00, 0.00 A
assign (resid   35 and name   HN) (resid   34 and name  HG1) 2.65 0.85 0.85 ! 0.0000  413:2  Seq    2.57, 2.77 A
assign (resid   35 and name   HN) (resid   34 and name  HG2) 2.65 0.85 0.85 ! 0.9951  414:2  Seq    2.19, 2.56 A
assign (resid   32 and name   HN) (resid   32 and name  HB1) 2.65 0.85 0.85 ! 0.0000  415:2  Intra  2.57, 2.67 A
assign (resid    8 and name   HN) (resid    7 and name  HG1) 3.15 1.35 1.35 ! 0.8932  416:2  Seq    2.31, 2.48 A
assign (resid    7 and name HE21) (resid    7 and name  HG1) 3.15 1.35 1.35 ! 0.9988  417:2  Intra  2.15, 2.28 A
assign (resid   32 and name  HD*) (resid   32 and name  HB1) 2.30 0.50 0.50 ! 0.0000  418:2  Intra  2.32, 3.05 A
assign (resid    9 and name   HN) (resid    7 and name  HG1) 2.65 0.85 0.85 ! 0.5338  419:2  Ambig  2.22, 2.67 A
    or (resid   33 and name   HN) (resid    7 and name  HG1)                ! 0.4662  419:2  -----  2.27, 2.43 A
assign (resid   32 and name  HD*) (resid    7 and name  HG1) 3.15 1.35 1.35 ! 0.0000  420:2  Long   3.27, 4.89 A
assign (resid   32 and name  HE*) (resid   32 and name  HB1) 3.15 1.35 1.35 ! 0.0000  421:2  Intra  4.61, 5.07 A
assign (resid   32 and name  HE*) (resid    7 and name  HG1) 3.15 1.35 1.35 ! 0.0000  422:2  Long   3.39, 5.19 A
assign (resid   32 and name  HE*) (resid    7 and name  HB2) 2.65 0.85 0.85 ! 0.9914  423:2  Long   2.02, 4.11 A
assign (resid   34 and name   HA) (resid   34 and name  HG1) 2.65 0.85 0.85 ! 0.0000  425:2  Intra  2.59, 2.67 A
assign (resid   34 and name   HA) (resid   34 and name  HG2) 3.15 1.35 1.35 ! 0.8498  426:2  Intra  3.01, 3.18 A
assign (resid   34 and name   HA) (resid   34 and name  HG2) 3.15 1.35 1.35 ! 0.8448  427:2  Intra  3.01, 3.18 A
assign (resid   32 and name   HA) (resid   32 and name  HB1) 2.65 0.85 0.85 ! 0.0000  428:2  Intra  3.00, 3.01 A
assign (resid   26 and name   HA) (resid   26 and name  HG1) 2.65 0.85 0.85 ! 0.0000  429:2  Intra  2.15, 2.21 A
assign (resid   16 and name   HA) (resid   16 and name  HB1) 2.30 0.50 0.50 ! 0.0000  430:2  Intra  2.22, 2.24 A
assign (resid   19 and name   HA) (resid   19 and name  HB2) 2.65 0.85 0.85 ! 0.9309  431:2  Intra  3.03, 3.05 A
assign (resid   26 and name   HA) (resid   26 and name  HG2) 2.65 0.85 0.85 ! 0.9970  432:2  Intra  2.82, 2.85 A
assign (resid   32 and name   HA) (resid    7 and name  HG1) 3.65 1.85 1.85 ! 0.8544  433:2  Long   3.34, 3.56 A
assign (resid   26 and name   HA) (resid   26 and name  HB1) 2.30 0.50 0.50 ! 0.9958  434:2  Intra  2.94, 2.95 A
assign (resid   32 and name   HA) (resid    7 and name  HB2) 3.15 1.35 1.35 ! 0.4548  435:2  Ambig  4.60, 4.82 A
    or (resid   25 and name   HA) (resid   26 and name  HB1)                ! 0.3680  435:2  -----  4.77, 4.84 A
assign (resid    7 and name   HA) (resid    7 and name  HG1) 2.65 0.85 0.85 ! 0.9860  436:2  Intra  2.35, 2.46 A
assign (resid   30 and name   HA) (resid   30 and name  HB1) 2.30 0.50 0.50 ! 0.9900  437:2  Intra  2.28, 2.30 A
assign (resid   30 and name   HA) (resid   30 and name  HG2) 3.15 1.35 1.35 ! 0.9815  438:2  Intra  3.82, 3.87 A
assign (resid   31 and name   HA) (resid   30 and name  HG2) 3.65 1.85 1.85 ! 0.0000  439:2  Seq    4.52, 4.54 A
assign (resid    7 and name   HA) (resid    7 and name  HB2) 2.30 0.50 0.50 ! 0.9448  440:2  Intra  2.36, 2.45 A
assign (resid   30 and name  HD1) (resid   30 and name  HG2) 2.65 0.85 0.85 ! 0.9312  441:2  Intra  2.96, 2.98 A
assign (resid    5 and name   HA) (resid   34 and name  HG2) 2.65 0.85 0.85 ! 0.9908  442:2  Long   2.10, 2.38 A
assign (resid   16 and name  HD2) (resid   16 and name  HB1) 3.15 1.35 1.35 ! 0.0000  443:2  Intra  3.87, 3.92 A
assign (resid   30 and name  HD2) (resid   30 and name  HB1) 3.15 1.35 1.35 ! 0.9829  445:2  Intra  3.86, 3.91 A
assign (resid   30 and name  HD2) (resid   30 and name  HG2) 2.65 0.85 0.85 ! 0.0000  446:2  Intra  2.19, 2.21 A
assign (resid   26 and name  HG1) (resid   26 and name  HB1) 2.65 0.85 0.85 ! 0.0000  449:2  Intra  2.95, 2.96 A
assign (resid   26 and name  HB1) (resid   26 and name  HG1) 2.65 0.85 0.85 ! 0.0000  450:2  Intra  2.95, 2.96 A
assign (resid   26 and name  HB1) (resid   26 and name  HG2) 2.30 0.50 0.50 ! 0.5648  452:2  Ambig  2.27, 2.32 A
    or (resid    7 and name  HB2) (resid    7 and name  HG1)                ! 0.3130  452:2  -----  2.51, 2.55 A
assign (resid   26 and name  HB2) (resid   26 and name  HG1) 2.65 0.85 0.85 ! 0.9907  453:2  Intra  2.45, 2.50 A
assign (resid   16 and name  HG*) (resid   16 and name  HB1) 2.30 0.50 0.50 ! 0.0000  454:2  Intra  2.27, 2.66 A
assign (resid   26 and name  HB2) (resid   26 and name  HG2) 2.65 0.85 0.85 ! 0.0000  456:2  Intra  2.96, 2.98 A
assign (resid   34 and name  HB2) (resid   34 and name  HG1) 2.65 0.85 0.85 ! 0.9977  458:2  Intra  2.36, 2.40 A
assign (resid   34 and name  HB2) (resid   34 and name  HG2) 2.65 0.85 0.85 ! 0.5084  459:2  Ambig  2.98, 2.99 A
    or (resid   36 and name  HB*) (resid   26 and name  HB1)                ! 0.4120  459:2  -----  3.09, 3.98 A
assign (resid   11 and name HD1*) (resid   30 and name  HB1) 3.15 1.35 1.35 ! 0.0000  462:2  Long   3.66, 4.44 A
assign (resid   26 and name   HN) (resid   26 and name  HB2) 2.30 0.50 0.50 ! 0.9947  463:2  Intra  2.49, 2.56 A
assign (resid   34 and name   HN) (resid   34 and name  HB2) 2.65 0.85 0.85 ! 0.9810  464:2  Intra  3.00, 3.16 A
assign (resid   36 and name   HN) (resid   36 and name  HB*) 2.65 0.85 0.85 ! 0.9861  465:2  Intra  2.50, 3.10 A
assign (resid   36 and name   HN) (resid   36 and name   HG) 3.15 1.35 1.35 ! 0.9858  466:2  Intra  2.87, 2.97 A
assign (resid   29 and name   HN) (resid   28 and name  HB2) 2.30 0.50 0.50 ! 0.6035  467:2  Ambig  2.20, 2.46 A
    or (resid   28 and name   HN) (resid   28 and name  HB2)                ! 0.3694  467:2  -----  2.39, 2.49 A
assign (resid   28 and name   HN) (resid   28 and name   HG) 2.30 0.50 0.50 ! 0.8568  468:2  Intra  2.20, 2.45 A
assign (resid   35 and name   HN) (resid   34 and name  HB2) 3.15 1.35 1.35 ! 0.9267  469:2  Seq    3.90, 4.02 A
assign (resid   11 and name   HN) (resid   11 and name HG11) 2.65 0.85 0.85 ! 0.0000  470:2  Intra  1.80, 1.86 A
assign (resid   32 and name  HD*) (resid   28 and name  HB2) 2.65 0.85 0.85 ! 0.9800  471:2  Mid    2.25, 4.30 A
assign (resid   32 and name  HD*) (resid   28 and name  HB1) 2.65 0.85 0.85 ! 0.5132  472:2  Ambig  3.26, 5.55 A
    or (resid   32 and name  HD*) (resid   28 and name   HG)                ! 0.4868  472:2  -----  3.29, 5.36 A
assign (resid   32 and name  HD*) (resid   34 and name  HB2) 3.15 1.35 1.35 ! 0.0000  473:2  Mid    3.60, 4.60 A
assign (resid   26 and name HE22) (resid   36 and name  HB*) 3.15 1.35 1.35 ! 0.9351  474:2  Long   2.62, 3.69 A
assign (resid   32 and name  HE*) (resid   34 and name  HB1) 2.65 0.85 0.85 ! 0.7722  475:2  Ambig  3.15, 4.79 A
    or (resid   32 and name  HE*) (resid   28 and name  HB2)                ! 0.2278  475:2  -----  3.86, 5.59 A
assign (resid   32 and name  HE*) (resid   28 and name   HG) 3.15 1.35 1.35 ! 0.7171  476:2  Ambig  3.78, 5.68 A
    or (resid   32 and name  HE*) (resid   28 and name  HB1)                ! 0.2829  476:2  -----  4.42, 6.52 A
assign (resid   13 and name  HE*) (resid    7 and name  HB1) 2.65 0.85 0.85 ! 0.8390  477:2  Long   2.80, 4.27 A
assign (resid   32 and name  HE*) (resid   34 and name  HB2) 2.65 0.85 0.85 ! 0.0000  478:2  Mid    2.12, 3.51 A
assign (resid   33 and name   HA) (resid   28 and name  HB2) 2.65 0.85 0.85 ! 0.6514  479:2  Ambig  3.59, 3.70 A
    or (resid   33 and name   HA) (resid   34 and name  HB1)                ! 0.2578  479:2  -----  4.19, 4.32 A
assign (resid   33 and name   HA) (resid   28 and name   HG) 3.15 1.35 1.35 ! 0.9756  480:2  Long   2.69, 3.26 A
assign (resid   29 and name   HA) (resid   28 and name  HB2) 3.15 1.35 1.35 ! 0.5461  481:2  Ambig  4.41, 4.67 A
    or (resid   29 and name   HA) (resid   30 and name  HG1)                ! 0.3191  481:2  -----  4.82, 4.89 A
assign (resid   34 and name   HA) (resid   34 and name  HB1) 2.65 0.85 0.85 ! 0.9785  482:2  Intra  3.02, 3.03 A
assign (resid   34 and name   HA) (resid   34 and name  HB2) 2.65 0.85 0.85 ! 0.9983  483:2  Intra  2.35, 2.43 A
assign (resid   16 and name   HA) (resid   16 and name  HG*) 2.65 0.85 0.85 ! 0.5411  484:2  Ambig  3.76, 3.90 A
    or (resid   36 and name   HA) (resid   34 and name  HG2)                ! 0.3905  484:2  -----  3.98, 4.31 A
assign (resid   26 and name   HA) (resid   26 and name  HB2) 2.65 0.85 0.85 ! 0.9520  485:2  Intra  2.62, 2.66 A
assign (resid   25 and name   HA) (resid   26 and name  HB2) 3.15 1.35 1.35 ! 0.8460  486:2  Seq    3.95, 4.02 A
assign (resid   28 and name   HA) (resid   28 and name  HB2) 2.65 0.85 0.85 ! 0.9303  487:2  Intra  3.00, 3.02 A
assign (resid   16 and name   HA) (resid   16 and name  HB2) 2.65 0.85 0.85 ! 0.9979  488:2  Intra  2.70, 2.76 A
assign (resid   28 and name   HA) (resid   28 and name  HB1) 2.30 0.50 0.50 ! 0.8246  489:2  Intra  2.41, 2.46 A
assign (resid   36 and name   HA) (resid   36 and name  HB*) 2.30 0.50 0.50 ! 0.9945  490:2  Intra  2.41, 2.72 A
assign (resid   18 and name   HA) (resid   18 and name   HB) 2.65 0.85 0.85 ! 0.0000  491:2  Intra  3.03, 3.04 A
assign (resid   30 and name   HA) (resid   30 and name  HG1) 3.15 1.35 1.35 ! 0.8310  493:2  Intra  3.96, 3.99 A
assign (resid    7 and name   HA) (resid    7 and name  HB1) 2.65 0.85 0.85 ! 0.9367  494:2  Intra  3.00, 3.02 A
assign (resid    7 and name   HA) (resid   34 and name  HB2) 3.15 1.35 1.35 ! 0.9250  495:2  Long   3.32, 3.51 A
assign (resid   16 and name  HD1) (resid   16 and name  HG*) 2.30 0.50 0.50 ! 0.0000  497:2  Intra  2.29, 2.65 A
assign (resid    1 and name   HA) (resid   16 and name  HG*) 2.65 0.85 0.85 ! 0.7120  498:2  Ambig  2.77, 4.13 A
    or (resid    1 and name   HA) (resid   18 and name   HB)                ! 0.2484  498:2  -----  3.30, 3.47 A
assign (resid   27 and name   HA) (resid   27 and name   HB) 2.65 0.85 0.85 ! 0.7931  499:2  Ambig  3.03, 3.03 A
    or (resid    5 and name   HA) (resid   34 and name  HB1)                ! 0.0860  499:2  -----  4.38, 4.59 A
assign (resid   30 and name  HD1) (resid   30 and name  HG1) 2.65 0.85 0.85 ! 0.9971  500:2  Intra  2.33, 2.35 A
assign (resid    1 and name   HA) (resid   16 and name  HB2) 3.15 1.35 1.35 ! 0.9970  501:2  Long   2.34, 2.78 A
assign (resid   10 and name  HA1) (resid   11 and name HG11) 3.65 1.85 1.85 ! 0.0000  502:2  Seq    4.51, 4.52 A
assign (resid   11 and name   HA) (resid   11 and name HG11) 2.65 0.85 0.85 ! 0.0000  503:2  Intra  2.93, 3.01 A
assign (resid   15 and name  HA1) (resid   16 and name  HG*) 2.65 0.85 0.85 ! 0.0000  504:2  Seq    3.74, 4.44 A
assign (resid   16 and name  HD2) (resid   16 and name  HG*) 2.30 0.50 0.50 ! 0.0000  505:2  Intra  2.27, 2.50 A
assign (resid   30 and name  HD2) (resid   30 and name  HG1) 2.65 0.85 0.85 ! 0.9950  506:2  Intra  2.67, 2.72 A
assign (resid   26 and name  HG1) (resid   26 and name  HB2) 2.65 0.85 0.85 ! 0.9907  507:2  Intra  2.45, 2.50 A
assign (resid   16 and name  HB1) (resid   16 and name  HG*) 2.30 0.50 0.50 ! 0.0000  508:2  Intra  2.27, 2.66 A
assign (resid   26 and name  HG2) (resid   26 and name  HB2) 2.65 0.85 0.85 ! 0.9154  509:2  Intra  2.96, 2.98 A
assign (resid   30 and name  HB1) (resid   30 and name  HG1) 2.65 0.85 0.85 ! 0.9940  511:2  Intra  2.29, 2.31 A
assign (resid    7 and name  HG1) (resid    7 and name  HB1) 2.65 0.85 0.85 ! 0.0000  513:2  Intra  2.98, 2.99 A
assign (resid   34 and name  HG1) (resid   34 and name  HB2) 2.65 0.85 0.85 ! 0.9977  515:2  Intra  2.36, 2.40 A
assign (resid   28 and name HD1*) (resid   34 and name  HB1) 2.65 0.85 0.85 ! 0.6775  520:2  Ambig  2.12, 3.18 A
    or (resid   28 and name HD1*) (resid   28 and name  HB2)                ! 0.2828  520:2  -----  2.45, 3.09 A
assign (resid   28 and name HD1*) (resid   28 and name  HB1) 2.30 0.50 0.50 ! 0.4981  521:2  Ambig  2.39, 3.05 A
    or (resid   28 and name HD1*) (resid   28 and name   HG)                ! 0.4977  521:2  -----  2.39, 2.62 A
assign (resid   36 and name   HG) (resid   36 and name  HB*) 2.30 0.50 0.50 ! 0.9735  522:2  Intra  2.48, 2.75 A
assign (resid   36 and name HD2*) (resid   36 and name  HB*) 2.30 0.50 0.50 ! 0.7291  523:2  Ambig  2.26, 3.42 A
    or (resid   28 and name HD1*) (resid   34 and name  HB2)                ! 0.2598  523:2  -----  2.68, 3.65 A
assign (resid   18 and name HG2*) (resid   18 and name   HB) 2.30 0.50 0.50 ! 0.5022  524:2  Ambig  2.41, 2.64 A
    or (resid   18 and name HG1*) (resid   18 and name   HB)                ! 0.4978  524:2  -----  2.41, 2.64 A
assign (resid   27 and name HG2*) (resid   27 and name   HB) 2.30 0.50 0.50 ! 0.9939  525:2  Intra  2.39, 2.63 A
assign (resid   27 and name HG1*) (resid   27 and name   HB) 2.30 0.50 0.50 ! 0.9861  526:2  Intra  2.44, 2.64 A
assign (resid   36 and name HD1*) (resid   36 and name  HB*) 2.30 0.50 0.50 ! 0.9377  527:2  Intra  2.35, 3.08 A
assign (resid   11 and name HD1*) (resid   11 and name HG11) 2.30 0.50 0.50 ! 0.0000  528:2  Intra  2.42, 2.63 A
assign (resid   24 and name   HN) (resid   24 and name HG2*) 3.15 1.35 1.35 ! 0.0000  529:2  Intra  3.75, 4.32 A
assign (resid   34 and name   HN) (resid   28 and name HD1*) 3.15 1.35 1.35 ! 0.9052  530:2  Long   3.93, 4.67 A
assign (resid   36 and name   HN) (resid   36 and name HD1*) 3.15 1.35 1.35 ! 0.8827  531:2  Intra  4.11, 4.83 A
assign (resid   12 and name   HN) (resid   11 and name HG2*) 2.65 0.85 0.85 ! 0.4572  532:2  Ambig  3.16, 3.71 A
    or (resid   34 and name   HN) (resid   28 and name HD2*)                ! 0.2737  532:2  -----  3.44, 4.93 A
    or (resid   26 and name   HN) (resid   36 and name HD1*)                ! 0.0688  532:2  -----  4.33, 5.32 A
    or (resid   12 and name   HN) (resid   11 and name HG12)                ! 0.0606  532:2  -----  4.43, 4.49 A
assign (resid   28 and name   HN) (resid   28 and name HD1*) 3.15 1.35 1.35 ! 0.7331  533:2  Ambig  3.89, 4.62 A
    or (resid   29 and name   HN) (resid   28 and name HD1*)                ! 0.2669  533:2  -----  4.60, 5.45 A
assign (resid   28 and name   HN) (resid   28 and name HD2*) 2.65 0.85 0.85 ! 0.7868  534:2  Ambig  2.90, 4.15 A
    or (resid   28 and name   HN) (resid   27 and name HG2*)                ! 0.0828  534:2  -----  4.21, 5.00 A
assign (resid   29 and name   HN) (resid   27 and name HG1*) 2.30 0.50 0.50 ! 0.6343  535:2  Ambig  2.99, 3.84 A
    or (resid   28 and name   HN) (resid   27 and name HG1*)                ! 0.3478  535:2  -----  3.31, 4.01 A
assign (resid   11 and name   HN) (resid   11 and name   HB) 2.65 0.85 0.85 ! 0.9558  536:2  Intra  2.57, 2.63 A
assign (resid   11 and name   HN) (resid   11 and name HG12) 3.15 1.35 1.35 ! 0.0000  537:2  Intra  3.09, 3.17 A
assign (resid    8 and name   HN) (resid    7 and name  HG2) 3.15 1.35 1.35 ! 0.0000  538:2  Seq    2.69, 2.96 A
assign (resid   13 and name  HD*) (resid   17 and name HG2*) 3.15 1.35 1.35 ! 0.0000  539:2  Mid    2.41, 5.50 A
assign (resid   31 and name  HD*) (resid   11 and name   HB) 2.65 0.85 0.85 ! 0.5950  540:2  Ambig  2.13, 3.58 A
    or (resid   31 and name  HD*) (resid   30 and name  HB2)                ! 0.4050  540:2  -----  2.27, 4.71 A
assign (resid    7 and name HE21) (resid    7 and name  HG2) 3.15 1.35 1.35 ! 0.0000  541:2  Intra  2.24, 2.78 A
assign (resid   31 and name  HD*) (resid   11 and name HG2*) 3.15 1.35 1.35 ! 0.9676  542:2  Long   2.92, 5.47 A
assign (resid    4 and name  HD2) (resid   36 and name   HG) 3.15 1.35 1.35 ! 0.6023  543:2  Ambig  4.09, 4.44 A
    or (resid    5 and name  HD*) (resid   36 and name   HG)                ! 0.1999  543:2  -----  4.92, 6.29 A
assign (resid   31 and name  HE*) (resid   11 and name   HB) 2.65 0.85 0.85 ! 0.6050  544:2  Ambig  2.84, 4.18 A
    or (resid   31 and name  HE*) (resid   30 and name  HB2)                ! 0.3950  544:2  -----  3.05, 5.10 A
assign (resid    9 and name   HN) (resid    7 and name  HG2) 2.65 0.85 0.85 ! 0.9228  545:2  Mid    2.33, 2.60 A
assign (resid   32 and name  HD*) (resid   28 and name HD1*) 2.65 0.85 0.85 ! 0.0000  546:2  Mid    1.95, 4.95 A
assign (resid    4 and name  HD2) (resid   36 and name HD2*) 2.30 0.50 0.50 ! 0.7738  547:2  Ambig  2.35, 4.07 A
    or (resid    5 and name  HD*) (resid   36 and name HD2*)                ! 0.2190  547:2  -----  2.90, 4.78 A
assign (resid   32 and name  HD*) (resid   28 and name HD2*) 3.15 1.35 1.35 ! 0.0000  548:2  Mid    5.05, 7.30 A
assign (resid   31 and name  HE*) (resid   11 and name HG2*) 2.65 0.85 0.85 ! 0.8524  549:2  Long   2.70, 5.09 A
assign (resid   13 and name  HE*) (resid   17 and name HG2*) 2.65 0.85 0.85 ! 0.0000  550:2  Mid    2.84, 6.03 A
assign (resid   32 and name  HE*) (resid   28 and name HD1*) 2.65 0.85 0.85 ! 0.0000  551:2  Mid    1.97, 4.66 A
assign (resid    5 and name  HE*) (resid   36 and name HD2*) 2.65 0.85 0.85 ! 0.0000  552:2  Long   2.96, 4.54 A
assign (resid   32 and name  HE*) (resid   28 and name HD2*) 3.15 1.35 1.35 ! 0.0000  553:2  Mid    5.03, 7.40 A
assign (resid   33 and name   HA) (resid   27 and name HG2*) 3.15 1.35 1.35 ! 0.6086  554:2  Ambig  3.85, 4.89 A
    or (resid   33 and name   HA) (resid   28 and name HD2*)                ! 0.3590  554:2  -----  4.21, 5.56 A
assign (resid   17 and name   HA) (resid   17 and name HG2*) 2.30 0.50 0.50 ! 0.9839  555:2  Intra  2.36, 3.00 A
assign (resid    8 and name   HA) (resid    2 and name  HB*) 2.65 0.85 0.85 ! 0.9139  556:2  Long   2.29, 3.18 A
assign (resid   29 and name   HA) (resid   27 and name HG1*) 3.15 1.35 1.35 ! 0.0000  557:2  Mid    3.24, 4.46 A
assign (resid   36 and name   HA) (resid   36 and name   HG) 2.65 0.85 0.85 ! 0.8145  558:2  Intra  2.78, 2.87 A
assign (resid   17 and name   HB) (resid   17 and name HG2*) 2.30 0.50 0.50 ! 0.9943  559:2  Intra  2.44, 2.65 A
assign (resid    3 and name   HA) (resid   20 and name  HB*) 2.65 0.85 0.85 ! 0.9802  560:2  Long   2.71, 3.67 A
assign (resid   19 and name   HA) (resid    2 and name  HB*) 2.30 0.50 0.50 ! 0.7952  562:2  Ambig  1.92, 3.09 A
    or (resid    2 and name   HA) (resid    2 and name  HB*)                ! 0.2046  562:2  -----  2.41, 2.64 A
assign (resid   25 and name   HA) (resid   24 and name HG2*) 4.15 2.35 2.35 ! 0.0000  564:2  Seq    5.21, 5.97 A
assign (resid   23 and name   HA) (resid   24 and name HG2*) 3.15 1.35 1.35 ! 0.0000  565:2  Seq    4.77, 5.65 A
assign (resid   24 and name   HA) (resid   24 and name HG2*) 2.65 0.85 0.85 ! 0.0000  566:2  Intra  2.07, 2.67 A
assign (resid   28 and name   HA) (resid   28 and name HD1*) 3.15 1.35 1.35 ! 0.0000  567:2  Intra  4.20, 4.67 A
assign (resid   36 and name   HA) (resid   36 and name HD2*) 2.30 0.50 0.50 ! 0.9885  568:2  Intra  2.03, 2.93 A
assign (resid   19 and name   HA) (resid   18 and name HG1*) 3.15 1.35 1.35 ! 0.9309  569:2  Seq    4.23, 5.29 A
assign (resid   28 and name   HA) (resid   28 and name HD2*) 2.65 0.85 0.85 ! 0.9954  570:2  Intra  2.11, 2.96 A
assign (resid   26 and name   HA) (resid   27 and name HG2*) 3.15 1.35 1.35 ! 0.7612  571:2  Ambig  3.56, 4.70 A
    or (resid   26 and name   HA) (resid   36 and name HD1*)                ! 0.1213  571:2  -----  4.84, 6.01 A
assign (resid    1 and name   HB) (resid   20 and name  HB*) 2.65 0.85 0.85 ! 0.9765  572:2  Long   2.75, 4.23 A
assign (resid    9 and name  HA2) (resid   17 and name HG2*) 2.65 0.85 0.85 ! 0.0000  573:2  Long   2.04, 3.21 A
assign (resid   31 and name   HA) (resid   11 and name   HB) 2.30 0.50 0.50 ! 0.9753  574:2  Long   2.17, 2.56 A
assign (resid    1 and name   HB) (resid    1 and name HG2*) 2.30 0.50 0.50 ! 0.9710  575:2  Intra  2.43, 2.65 A
assign (resid   30 and name   HA) (resid   30 and name  HB2) 2.30 0.50 0.50 ! 0.9844  576:2  Intra  2.72, 2.73 A
assign (resid    7 and name   HA) (resid    7 and name  HG2) 3.15 1.35 1.35 ! 0.9529  577:2  Intra  3.13, 3.31 A
assign (resid    1 and name   HB) (resid   18 and name HG1*) 3.15 1.35 1.35 ! 0.7987  578:2  Ambig  3.63, 5.43 A
    or (resid   10 and name  HA2) (resid   11 and name HG12)                ! 0.1731  578:2  -----  4.68, 4.77 A
assign (resid   18 and name   HA) (resid   18 and name HG1*) 2.30 0.50 0.50 ! 0.5242  579:2  Ambig  2.49, 3.13 A
    or (resid   18 and name   HA) (resid   18 and name HG2*)                ! 0.4758  579:2  -----  2.53, 3.17 A
assign (resid   12 and name  HA1) (resid   11 and name HG2*) 3.15 1.35 1.35 ! 0.0000  580:2  Seq    3.60, 4.67 A
assign (resid   30 and name   HA) (resid   27 and name HG1*) 3.15 1.35 1.35 ! 0.0000  582:2  Mid    2.86, 3.45 A
assign (resid   20 and name   HA) (resid   20 and name  HB*) 2.30 0.50 0.50 ! 0.9329  583:2  Intra  2.40, 2.65 A
assign (resid   21 and name  HB*) (resid   20 and name  HB*) 3.15 1.35 1.35 ! 0.0000  584:2  Seq    3.99, 5.70 A
assign (resid   11 and name   HA) (resid   11 and name   HB) 2.65 0.85 0.85 ! 0.8005  585:2  Intra  3.02, 3.03 A
assign (resid   20 and name   HA) (resid    1 and name HG2*) 2.65 0.85 0.85 ! 0.0000  586:2  Long   2.13, 3.74 A
assign (resid    1 and name   HA) (resid    1 and name HG2*) 2.30 0.50 0.50 ! 0.0000  587:2  Intra  2.35, 2.98 A
assign (resid   30 and name  HD1) (resid   30 and name  HB2) 3.15 1.35 1.35 ! 0.9790  588:2  Intra  3.97, 4.04 A
assign (resid   24 and name   HB) (resid   24 and name HG2*) 2.30 0.50 0.50 ! 0.0000  589:2  Intra  2.19, 2.53 A
assign (resid    5 and name   HA) (resid   36 and name HD2*) 2.65 0.85 0.85 ! 0.8842  590:2  Long   3.08, 4.00 A
assign (resid    1 and name   HA) (resid   18 and name HG1*) 3.15 1.35 1.35 ! 0.8513  591:2  Long   4.02, 5.18 A
assign (resid   27 and name   HA) (resid   27 and name HG2*) 2.30 0.50 0.50 ! 0.9614  592:2  Intra  2.34, 3.04 A
assign (resid   10 and name  HA1) (resid   27 and name HG2*) 3.65 1.85 1.85 ! 0.7107  593:2  Ambig  5.62, 6.77 A
    or (resid   10 and name  HA1) (resid   11 and name HG2*)                ! 0.2893  593:2  -----  6.53, 6.90 A
assign (resid   11 and name   HA) (resid   11 and name HG2*) 2.30 0.50 0.50 ! 0.0000  594:2  Intra  2.48, 3.08 A
assign (resid   27 and name   HA) (resid   27 and name HG1*) 2.30 0.50 0.50 ! 0.0000  595:2  Intra  2.56, 3.18 A
assign (resid   23 and name   HB) (resid   20 and name  HB*) 3.15 1.35 1.35 ! 0.0000  596:2  Mid    4.48, 5.76 A
assign (resid   30 and name  HD2) (resid   30 and name  HB2) 3.15 1.35 1.35 ! 0.9556  597:2  Intra  3.86, 3.91 A
assign (resid   33 and name  HB1) (resid   27 and name HG2*) 3.15 1.35 1.35 ! 0.9918  598:2  Long   2.45, 3.61 A
assign (resid    8 and name  HB2) (resid    2 and name  HB*) 2.65 0.85 0.85 ! 0.9434  599:2  Long   2.67, 3.29 A
assign (resid    8 and name  HB1) (resid    2 and name  HB*) 2.65 0.85 0.85 ! 0.9840  600:2  Long   2.19, 3.07 A
assign (resid   30 and name  HG2) (resid   30 and name  HB2) 2.65 0.85 0.85 ! 0.9927  602:2  Intra  2.23, 2.26 A
assign (resid    7 and name  HB2) (resid    7 and name  HG2) 2.65 0.85 0.85 ! 0.7748  604:2  Ambig  2.97, 3.00 A
    or (resid   34 and name  HG2) (resid   28 and name HD1*)                ! 0.1478  604:2  -----  3.92, 5.14 A
assign (resid   26 and name  HB1) (resid   36 and name HD1*) 2.65 0.85 0.85 ! 0.8788  605:2  Long   2.00, 3.17 A
assign (resid    7 and name  HB1) (resid    7 and name  HG2) 3.15 1.35 1.35 ! 0.0000  606:2  Intra  2.30, 2.34 A
assign (resid   34 and name  HB1) (resid   28 and name HD1*) 2.30 0.50 0.50 ! 0.6796  607:2  Ambig  2.12, 3.18 A
    or (resid   28 and name  HB2) (resid   28 and name HD1*)                ! 0.2837  607:2  -----  2.45, 3.09 A
assign (resid   28 and name  HB1) (resid   28 and name HD1*) 2.65 0.85 0.85 ! 0.4981  608:2  Ambig  2.39, 3.05 A
    or (resid   28 and name   HG) (resid   28 and name HD1*)                ! 0.4977  608:2  -----  2.39, 2.62 A
assign (resid   18 and name   HB) (resid   18 and name HG2*) 2.30 0.50 0.50 ! 0.5022  609:2  Ambig  2.41, 2.64 A
    or (resid   18 and name   HB) (resid   18 and name HG1*)                ! 0.4978  609:2  -----  2.41, 2.64 A
assign (resid   28 and name   HG) (resid   28 and name HD2*) 2.65 0.85 0.85 ! 0.4991  610:2  Ambig  2.40, 2.61 A
    or (resid   28 and name  HB1) (resid   28 and name HD2*)                ! 0.4544  610:2  -----  2.44, 3.16 A
assign (resid   27 and name   HB) (resid   27 and name HG2*) 2.30 0.50 0.50 ! 0.5060  611:2  Ambig  2.39, 2.63 A
    or (resid   34 and name  HB1) (resid   28 and name HD2*)                ! 0.3061  611:2  -----  2.60, 4.35 A
assign (resid   27 and name   HB) (resid   27 and name HG1*) 2.30 0.50 0.50 ! 0.9893  612:2  Intra  2.44, 2.64 A
assign (resid   36 and name  HB*) (resid   36 and name HD2*) 2.30 0.50 0.50 ! 0.7291  613:2  Ambig  2.26, 3.42 A
    or (resid   34 and name  HB2) (resid   28 and name HD1*)                ! 0.2598  613:2  -----  2.68, 3.65 A
assign (resid   36 and name   HG) (resid   36 and name HD2*) 2.30 0.50 0.50 ! 0.9628  614:2  Intra  2.39, 2.63 A
assign (resid   36 and name  HB*) (resid   36 and name HD1*) 2.30 0.50 0.50 ! 0.9377  616:2  Intra  2.35, 3.08 A
assign (resid   36 and name   HG) (resid   36 and name HD1*) 2.65 0.85 0.85 ! 0.8638  617:2  Intra  2.42, 2.65 A
assign (resid   23 and name HG2*) (resid   20 and name  HB*) 3.15 1.35 1.35 ! 0.9810  619:2  Mid    2.99, 5.19 A
assign (resid   11 and name HD1*) (resid   30 and name  HB2) 2.30 0.50 0.50 ! 0.6855  620:2  Ambig  2.23, 3.12 A
    or (resid   11 and name HD1*) (resid   11 and name   HB)                ! 0.3145  620:2  -----  2.53, 3.13 A
assign (resid   11 and name HD1*) (resid   11 and name HG2*) 2.30 0.50 0.50 ! 0.0000  621:2  Intra  2.05, 3.72 A
assign (resid   24 and name   HN) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.7351  622:2  Ambig  3.40, 4.31 A
    or (resid    5 and name   HN) (resid   23 and name HG2*)                ! 0.2649  622:2  -----  4.04, 4.73 A
assign (resid   11 and name   HN) (resid   11 and name HD1*) 3.15 1.35 1.35 ! 0.0000  623:2  Intra  3.68, 4.22 A
assign (resid    4 and name  HE1) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.0000  624:2  Long   3.93, 5.30 A
assign (resid   23 and name   HN) (resid   23 and name HG2*) 2.65 0.85 0.85 ! 0.0000  625:2  Intra  3.37, 4.21 A
assign (resid   31 and name  HD*) (resid   11 and name HD1*) 3.15 1.35 1.35 ! 0.0000  626:2  Long   2.91, 5.25 A
assign (resid   31 and name  HE*) (resid   11 and name HD1*) 3.15 1.35 1.35 ! 0.0000  627:2  Long   2.57, 4.85 A
assign (resid    4 and name  HD2) (resid   23 and name HG2*) 2.65 0.85 0.85 ! 0.9962  628:2  Long   2.15, 3.49 A
assign (resid   23 and name   HA) (resid   23 and name HG2*) 2.30 0.50 0.50 ! 0.9939  629:2  Intra  2.26, 2.91 A
assign (resid   36 and name   HA) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.9549  630:2  Long   3.37, 4.67 A
assign (resid   11 and name   HA) (resid   11 and name HD1*) 3.15 1.35 1.35 ! 0.0000  631:2  Intra  4.40, 4.67 A
assign (resid    4 and name   HA) (resid   23 and name HG2*) 2.65 0.85 0.85 ! 0.9920  632:2  Long   2.06, 2.88 A
assign (resid   23 and name   HB) (resid   23 and name HG2*) 2.30 0.50 0.50 ! 0.9985  633:2  Intra  2.29, 2.57 A
assign (resid   35 and name  HB1) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.9983  634:2  Long   2.51, 3.31 A
assign (resid   35 and name  HB2) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.0000  635:2  Long   3.87, 4.75 A
assign (resid    4 and name  HB2) (resid   23 and name HG2*) 2.65 0.85 0.85 ! 0.0000  636:2  Long   2.31, 2.73 A
assign (resid   30 and name  HB1) (resid   11 and name HD1*) 2.65 0.85 0.85 ! 0.0000  637:2  Long   3.66, 4.44 A
assign (resid   11 and name HG11) (resid   11 and name HD1*) 2.30 0.50 0.50 ! 0.0000  638:2  Intra  2.42, 2.63 A
assign (resid   36 and name   HN) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.7831  639:2  Ambig  4.12, 5.22 A
    or (resid    6 and name   HN) (resid   23 and name HG2*)                ! 0.2169  639:2  -----  5.10, 6.09 A
assign (resid   24 and name   HN) (resid   36 and name  HB*) 3.65 1.85 1.85 ! 0.0000  640:2  Long   4.07, 4.57 A
assign (resid   24 and name   HN) (resid   36 and name   HG) 4.15 2.35 2.35 ! 0.0000  641:2  Long   5.45, 5.52 A
assign (resid   26 and name   HN) (resid   36 and name   HG) 3.15 1.35 1.35 ! 0.6298  642:2  Ambig  3.94, 4.10 A
    or (resid   34 and name   HN) (resid   36 and name   HG)                ! 0.3510  642:2  -----  4.34, 4.51 A
assign (resid   31 and name   HN) (resid   30 and name  HB2) 3.65 1.85 1.85 ! 0.7542  643:2  Ambig  3.33, 3.42 A
    or (resid   19 and name   HN) (resid    1 and name HG2*)                ! 0.1334  643:2  -----  4.44, 5.74 A
assign (resid   21 and name   HN) (resid   20 and name  HB*) 3.65 1.85 1.85 ! 0.9864  644:2  Seq    1.94, 2.95 A
assign (resid   35 and name   HN) (resid   36 and name HD2*) 3.65 1.85 1.85 ! 0.8026  645:2  Seq    4.66, 5.61 A
assign (resid   35 and name   HN) (resid   34 and name  HB1) 3.15 1.35 1.35 ! 0.9485  646:2  Seq    3.78, 3.96 A
assign (resid    6 and name   HN) (resid   34 and name  HG2) 3.65 1.85 1.85 ! 0.5111  647:2  Ambig  3.58, 3.93 A
    or (resid   36 and name   HN) (resid   26 and name  HB1)                ! 0.3177  647:2  -----  3.87, 4.05 A
assign (resid   36 and name   HN) (resid   26 and name  HB2) 3.65 1.85 1.85 ! 0.9518  648:2  Long   2.92, 3.07 A
assign (resid   24 and name   HN) (resid   19 and name  HB2) 3.65 1.85 1.85 ! 0.9438  649:2  Long   4.75, 4.89 A
assign (resid   36 and name   HN) (resid   26 and name  HG2) 3.65 1.85 1.85 ! 0.4768  650:2  Ambig  5.80, 5.96 A
    or (resid   36 and name   HN) (resid   19 and name  HB2)                ! 0.4045  650:2  -----  5.96, 6.08 A
assign (resid   19 and name   HN) (resid   19 and name  HB2) 3.65 1.85 1.85 ! 0.6917  651:2  Ambig  2.44, 2.50 A
    or (resid   27 and name   HN) (resid   26 and name  HG2)                ! 0.2809  651:2  -----  2.84, 3.14 A
assign (resid    8 and name   HN) (resid    7 and name  HB1) 3.65 1.85 1.85 ! 0.0000  652:2  Seq    3.91, 4.01 A
assign (resid   32 and name   HN) (resid   27 and name HG1*) 3.65 1.85 1.85 ! 0.0000  653:2  Long   4.85, 5.83 A
assign (resid   36 and name   HN) (resid   26 and name  HG1) 3.65 1.85 1.85 ! 0.0000  654:2  Long   5.42, 5.50 A
assign (resid   26 and name   HN) (resid   25 and name  HB1) 3.65 1.85 1.85 ! 0.5303  655:2  Ambig  4.23, 4.31 A
    or (resid   12 and name   HN) (resid   13 and name  HB1)                ! 0.4697  655:2  -----  4.32, 4.48 A
assign (resid   26 and name   HN) (resid   25 and name  HB2) 3.15 1.35 1.35 ! 0.7992  656:2  Ambig  4.27, 4.35 A
    or (resid   26 and name   HN) (resid   35 and name  HB1)                ! 0.2008  656:2  -----  5.37, 5.49 A
assign (resid   24 and name   HN) (resid   35 and name  HB2) 3.65 1.85 1.85 ! 0.0000  657:2  Long   5.26, 5.37 A
assign (resid    6 and name   HN) (resid   35 and name  HB2) 3.15 1.35 1.35 ! 0.4962  658:2  Ambig  3.84, 4.06 A
    or (resid    6 and name   HN) (resid    5 and name  HB1)                ! 0.2775  658:2  -----  4.23, 4.35 A
    or (resid   36 and name   HN) (resid   35 and name  HB2)                ! 0.2263  658:2  -----  4.38, 4.44 A
assign (resid   36 and name   HN) (resid   35 and name  HB1) 3.15 1.35 1.35 ! 0.5796  659:2  Ambig  3.56, 3.63 A
    or (resid    6 and name   HN) (resid   35 and name  HB1)                ! 0.3777  659:2  -----  3.83, 4.03 A
assign (resid   29 and name   HN) (resid   32 and name  HB1) 3.65 1.85 1.85 ! 0.8640  660:2  Mid    3.26, 3.51 A
assign (resid   10 and name   HN) (resid   33 and name  HB2) 3.15 1.35 1.35 ! 0.9630  661:2  Long   1.80, 1.96 A
assign (resid   32 and name   HN) (resid   29 and name  HB*) 3.65 1.85 1.85 ! 0.0000  662:2  Mid    2.01, 2.82 A
assign (resid   32 and name   HN) (resid   31 and name  HB1) 3.65 1.85 1.85 ! 0.9454  663:2  Seq    3.72, 3.79 A
assign (resid    8 and name   HN) (resid    8 and name  HB2) 3.65 1.85 1.85 ! 0.9597  664:2  Intra  3.73, 3.78 A
assign (resid   10 and name   HN) (resid   33 and name  HB1) 3.15 1.35 1.35 ! 0.5294  665:2  Ambig  3.47, 3.63 A
    or (resid   28 and name   HN) (resid   33 and name  HB1)                ! 0.4220  665:2  -----  3.60, 4.02 A
assign (resid   31 and name   HN) (resid   29 and name  HB*) 3.15 1.35 1.35 ! 0.0000  666:2  Mid    2.83, 3.15 A
assign (resid   31 and name   HN) (resid   30 and name  HD2) 3.65 1.85 1.85 ! 0.0000  667:2  Seq    2.38, 2.52 A
assign (resid   31 and name   HN) (resid   30 and name  HD1) 3.65 1.85 1.85 ! 0.0000  668:2  Seq    3.70, 3.80 A
assign (resid   29 and name   HN) (resid   30 and name  HD2) 3.65 1.85 1.85 ! 0.8975  669:2  Seq    4.83, 4.91 A
assign (resid   35 and name   HN) (resid    6 and name  HA1) 3.65 1.85 1.85 ! 0.5143  670:2  Ambig  4.33, 4.48 A
    or (resid   14 and name   HN) (resid   12 and name  HA2)                ! 0.1994  670:2  -----  5.07, 5.28 A
    or (resid   35 and name   HN) (resid   23 and name   HB)                ! 0.1466  670:2  -----  5.34, 5.47 A
assign (resid   21 and name   HN) (resid   20 and name   HA) 3.15 1.35 1.35 ! 0.8206  671:2  Seq    2.56, 2.66 A
assign (resid   23 and name   HN) (resid   23 and name   HB) 3.65 1.85 1.85 ! 0.0000  672:2  Intra  3.68, 3.71 A
assign (resid   13 and name   HN) (resid   11 and name   HA) 3.65 1.85 1.85 ! 0.5325  673:2  Ambig  3.40, 3.48 A
    or (resid   32 and name   HN) (resid   10 and name  HA1)                ! 0.3611  673:2  -----  3.63, 3.74 A
assign (resid   32 and name   HN) (resid   30 and name   HA) 3.65 1.85 1.85 ! 0.6947  674:2  Ambig  4.41, 4.49 A
    or (resid   13 and name   HN) (resid    9 and name  HA2)                ! 0.3053  674:2  -----  5.05, 5.69 A
assign (resid   36 and name   HN) (resid   24 and name   HB) 3.65 1.85 1.85 ! 0.8565  675:2  Long   4.26, 4.32 A
assign (resid   31 and name   HN) (resid   30 and name   HA) 3.65 1.85 1.85 ! 0.9875  676:2  Seq    3.44, 3.49 A
assign (resid   14 and name   HN) (resid   14 and name   HA) 3.65 1.85 1.85 ! 0.8835  677:2  Intra  2.87, 2.89 A
assign (resid   36 and name   HN) (resid   23 and name   HA) 3.65 1.85 1.85 ! 0.8223  678:2  Long   4.21, 4.42 A
assign (resid   24 and name   HN) (resid   35 and name   HA) 3.15 1.35 1.35 ! 0.0000  679:2  Long   3.93, 4.03 A
assign (resid   29 and name   HN) (resid   32 and name  HD*) 3.65 1.85 1.85 ! 0.4883  680:2  Ambig  4.01, 5.37 A
    or (resid   28 and name   HN) (resid   32 and name  HD*)                ! 0.4169  680:2  -----  4.12, 5.70 A
assign (resid   32 and name   HN) (resid   33 and name   HN) 3.65 1.85 1.85 ! 0.7236  681:2  Ambig  4.17, 4.23 A
    or (resid   13 and name   HN) (resid    9 and name   HN)                ! 0.1316  681:2  -----  5.54, 5.87 A
assign (resid   32 and name   HN) (resid   32 and name  HD*) 3.65 1.85 1.85 ! 0.0000  682:2  Intra  4.80, 4.88 A
assign (resid   32 and name   HN) (resid   29 and name HD22) 3.65 1.85 1.85 ! 0.7274  683:2  Ambig  2.93, 5.33 A
    or (resid   13 and name   HN) (resid    7 and name HE22)                ! 0.1262  683:2  -----  3.92, 4.31 A
assign (resid   11 and name   HN) (resid   31 and name  HD*) 3.65 1.85 1.85 ! 0.8062  684:2  Long   3.85, 4.94 A
assign (resid   34 and name   HN) (resid   33 and name   HN) 3.65 1.85 1.85 ! 0.6026  685:2  Ambig  4.31, 4.38 A
    or (resid   34 and name   HN) (resid    9 and name   HN)                ! 0.3424  685:2  -----  4.73, 5.37 A
assign (resid   35 and name   HN) (resid    8 and name   HN) 3.65 1.85 1.85 ! 0.5745  686:2  Ambig  4.15, 4.32 A
    or (resid   21 and name   HN) (resid   20 and name   HN)                ! 0.4019  686:2  -----  4.41, 4.46 A
assign (resid    6 and name   HN) (resid   35 and name   HN) 3.65 1.85 1.85 ! 0.8724  687:2  Long   2.80, 3.08 A
assign (resid   34 and name   HN) (resid   35 and name   HN) 3.65 1.85 1.85 ! 0.0000  688:2  Seq    4.39, 4.42 A
assign (resid   28 and name   HN) (resid   34 and name   HN) 3.15 1.35 1.35 ! 0.8450  689:2  Long   3.21, 3.40 A
assign (resid   33 and name   HN) (resid   34 and name   HN) 3.65 1.85 1.85 ! 0.9440  690:2  Seq    4.31, 4.38 A
assign (resid   32 and name  HD*) (resid   29 and name   HN) 3.15 1.35 1.35 ! 0.4883  691:2  Ambig  4.01, 5.37 A
    or (resid   32 and name  HD*) (resid   28 and name   HN)                ! 0.4169  691:2  -----  4.12, 5.70 A
assign (resid   31 and name  HD*) (resid   11 and name   HN) 3.65 1.85 1.85 ! 0.0000  692:2  Long   3.85, 4.94 A
assign (resid   32 and name  HD*) (resid   29 and name HD21) 3.65 1.85 1.85 ! 0.9881  694:2  Mid    2.30, 4.56 A
assign (resid   33 and name   HN) (resid   32 and name   HN) 3.65 1.85 1.85 ! 0.8230  695:2  Seq    4.17, 4.23 A
assign (resid    5 and name  HE*) (resid    4 and name  HE1) 3.65 1.85 1.85 ! 0.0000  696:2  Seq    2.58, 5.01 A
assign (resid   31 and name  HE*) (resid   31 and name   HN) 3.65 1.85 1.85 ! 0.0000  697:2  Intra  4.60, 5.60 A
assign (resid    5 and name  HD*) (resid    4 and name  HE1) 3.65 1.85 1.85 ! 0.5960  698:2  Ambig  3.93, 6.14 A
    or (resid    4 and name  HD2) (resid    4 and name  HE1)                ! 0.3925  698:2  -----  4.21, 4.23 A
assign (resid    4 and name  HD2) (resid   36 and name   HN) 3.65 1.85 1.85 ! 0.4218  699:2  Ambig  3.89, 4.24 A
    or (resid    4 and name  HD2) (resid    6 and name   HN)                ! 0.1517  699:2  -----  4.61, 4.79 A
    or (resid   26 and name HE22) (resid   36 and name   HN)                ! 0.1235  699:2  -----  4.77, 5.33 A
    or (resid    4 and name  HD2) (resid    4 and name   HN)                ! 0.1113  699:2  -----  4.86, 4.95 A
assign (resid    9 and name   HN) (resid   10 and name   HN) 3.65 1.85 1.85 ! 0.7293  700:2  Ambig  1.86, 2.02 A
    or (resid   33 and name   HN) (resid   10 and name   HN)                ! 0.2649  700:2  -----  2.20, 2.32 A
assign (resid   32 and name  HE*) (resid   34 and name   HN) 3.65 1.85 1.85 ! 0.0000  701:2  Mid    4.72, 5.90 A
assign (resid   31 and name  HD*) (resid   30 and name  HD1) 3.65 1.85 1.85 ! 0.9097  703:2  Seq    4.22, 6.46 A
assign (resid    7 and name HE22) (resid   10 and name  HA1) 3.65 1.85 1.85 ! 0.8759  704:2  Mid    2.98, 3.15 A
assign (resid   13 and name  HE*) (resid   15 and name  HA1) 3.15 1.35 1.35 ! 0.0000  705:2  Mid    2.87, 3.53 A
assign (resid   13 and name  HE*) (resid   16 and name  HD1) 3.65 1.85 1.85 ! 0.9257  706:2  Mid    4.41, 5.59 A
assign (resid   13 and name  HE*) (resid    9 and name  HA2) 3.65 1.85 1.85 ! 0.0000  707:2  Mid    4.20, 6.19 A
assign (resid   32 and name  HE*) (resid   32 and name   HA) 3.65 1.85 1.85 ! 0.0000  708:2  Intra  4.50, 5.25 A
assign (resid   32 and name  HD*) (resid    7 and name   HA) 3.65 1.85 1.85 ! 0.8269  709:2  Long   4.59, 5.48 A
assign (resid   31 and name  HE*) (resid   31 and name   HA) 3.65 1.85 1.85 ! 0.0000  710:2  Intra  4.74, 5.24 A
assign (resid   31 and name  HE*) (resid   30 and name  HD2) 3.65 1.85 1.85 ! 0.9397  711:2  Seq    4.17, 6.33 A
assign (resid    7 and name HE21) (resid   10 and name  HA2) 3.15 1.35 1.35 ! 0.6492  713:2  Ambig  3.75, 3.92 A
    or (resid    7 and name HE21) (resid    7 and name   HA)                ! 0.2222  713:2  -----  4.49, 4.69 A
assign (resid   33 and name   HN) (resid   32 and name  HB1) 3.65 1.85 1.85 ! 0.9665  714:2  Seq    4.29, 4.34 A
assign (resid   13 and name  HE*) (resid   13 and name  HB1) 3.65 1.85 1.85 ! 0.0000  716:2  Intra  4.55, 5.03 A
assign (resid    7 and name HE22) (resid    7 and name  HG1) 3.15 1.35 1.35 ! 0.6679  717:2  Ambig  3.40, 3.46 A
    or (resid   31 and name  HD*) (resid   30 and name  HB1)                ! 0.3321  717:2  -----  3.83, 6.16 A
assign (resid   31 and name  HD*) (resid   30 and name  HG2) 3.65 1.85 1.85 ! 0.9911  718:2  Seq    1.94, 3.92 A
assign (resid   31 and name  HE*) (resid   30 and name  HG2) 3.65 1.85 1.85 ! 0.8330  719:2  Seq    2.63, 4.58 A
assign (resid    5 and name  HD*) (resid   34 and name  HG2) 3.15 1.35 1.35 ! 0.4058  720:2  Ambig  3.94, 5.23 A
    or (resid   26 and name HE22) (resid   26 and name  HB1)                ! 0.3060  720:2  -----  4.13, 4.46 A
    or (resid    4 and name  HD2) (resid   34 and name  HG2)                ! 0.2782  720:2  -----  4.20, 4.61 A
assign (resid   32 and name  HD*) (resid    7 and name  HB2) 3.15 1.35 1.35 ! 0.9847  721:2  Long   3.17, 4.90 A
assign (resid    5 and name  HD*) (resid   34 and name  HG1) 3.65 1.85 1.85 ! 0.6816  722:2  Ambig  4.34, 5.64 A
    or (resid    4 and name  HD2) (resid   34 and name  HG1)                ! 0.3184  722:2  -----  4.92, 5.79 A
assign (resid   31 and name  HE*) (resid   30 and name  HB1) 3.65 1.85 1.85 ! 0.0000  723:2  Seq    4.50, 6.57 A
assign (resid   33 and name   HN) (resid    7 and name  HB2) 3.65 1.85 1.85 ! 0.5964  724:2  Ambig  4.30, 4.54 A
    or (resid    9 and name   HN) (resid    7 and name  HB2)                ! 0.3377  724:2  -----  4.72, 4.97 A
assign (resid    9 and name   HN) (resid    7 and name  HB1) 3.65 1.85 1.85 ! 0.7094  725:2  Ambig  4.45, 4.67 A
    or (resid   33 and name   HN) (resid    7 and name  HB1)                ! 0.2906  725:2  -----  5.16, 5.36 A
assign (resid   31 and name  HE*) (resid   30 and name  HG1) 3.65 1.85 1.85 ! 0.5169  726:2  Ambig  3.74, 5.79 A
    or (resid   34 and name HE22) (resid   34 and name  HB1)                ! 0.4662  726:2  -----  3.81, 4.30 A
assign (resid   31 and name  HD*) (resid   30 and name  HG1) 3.65 1.85 1.85 ! 0.0000  727:2  Seq    3.60, 5.60 A
assign (resid    7 and name HE21) (resid    7 and name  HB2) 3.65 1.85 1.85 ! 0.0000  728:2  Intra  4.00, 4.11 A
assign (resid    8 and name   HN) (resid    7 and name  HB2) 3.65 1.85 1.85 ! 0.8737  729:2  Seq    3.90, 4.05 A
assign (resid   31 and name  HE*) (resid   11 and name HG11) 3.65 1.85 1.85 ! 0.0000  730:2  Long   4.79, 5.84 A
assign (resid   13 and name  HD*) (resid    7 and name  HG2) 3.65 1.85 1.85 ! 0.0000  732:2  Long   2.95, 3.53 A
assign (resid    7 and name HE22) (resid    7 and name  HG2) 3.15 1.35 1.35 ! 0.0000  733:2  Intra  3.44, 3.70 A
assign (resid   26 and name HE22) (resid   36 and name HD1*) 3.15 1.35 1.35 ! 0.8775  734:2  Long   3.38, 4.64 A
assign (resid   31 and name  HD*) (resid   11 and name HG11) 3.65 1.85 1.85 ! 0.0000  735:2  Long   4.02, 5.18 A
assign (resid    9 and name   HN) (resid   17 and name HG2*) 3.65 1.85 1.85 ! 0.9103  736:2  Long   3.80, 5.38 A
assign (resid   35 and name   HA) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.0000  737:2  Long   4.87, 5.60 A
assign (resid   33 and name   HA) (resid   27 and name HG1*) 3.15 1.35 1.35 ! 0.0000  738:2  Long   3.81, 4.84 A
assign (resid   35 and name   HA) (resid   36 and name   HG) 3.15 1.35 1.35 ! 0.0000  739:2  Seq    3.53, 3.67 A
assign (resid   35 and name   HA) (resid   36 and name  HB*) 3.15 1.35 1.35 ! 0.8586  740:2  Seq    4.24, 4.86 A
assign (resid   33 and name   HA) (resid   34 and name  HB2) 3.65 1.85 1.85 ! 0.0000  741:2  Seq    4.09, 4.33 A
assign (resid   31 and name   HA) (resid   11 and name HD1*) 3.15 1.35 1.35 ! 0.0000  743:2  Long   3.43, 4.63 A
assign (resid   22 and name  HA1) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.0000  744:2  Seq    3.92, 5.00 A
assign (resid   30 and name   HA) (resid   11 and name HD1*) 3.15 1.35 1.35 ! 0.0000  745:2  Long   4.30, 5.11 A
assign (resid   30 and name  HD1) (resid   27 and name HG1*) 3.65 1.85 1.85 ! 0.0000  746:2  Mid    4.78, 5.41 A
assign (resid   19 and name  HB1) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.0000  747:2  Mid    3.43, 4.20 A
assign (resid   22 and name  HA2) (resid   23 and name HG2*) 3.65 1.85 1.85 ! 0.0000  748:2  Seq    4.86, 5.75 A
assign (resid   19 and name  HB1) (resid    2 and name  HB*) 3.15 1.35 1.35 ! 0.6933  749:2  Ambig  3.39, 4.62 A
    or (resid   19 and name  HB1) (resid   20 and name  HB*)                ! 0.3067  749:2  -----  3.88, 4.69 A
assign (resid   29 and name  HB*) (resid   30 and name  HB2) 3.65 1.85 1.85 ! 0.8616  750:2  Seq    5.36, 5.86 A
assign (resid   29 and name  HB*) (resid   27 and name HG1*) 3.65 1.85 1.85 ! 0.0000  751:2  Mid    5.25, 6.05 A
assign (resid   33 and name  HB1) (resid   27 and name HG1*) 3.65 1.85 1.85 ! 0.0000  752:2  Long   3.91, 5.05 A
assign (resid   29 and name  HB*) (resid   28 and name  HB1) 3.65 1.85 1.85 ! 0.8291  753:2  Seq    4.39, 5.32 A
assign (resid   29 and name  HB*) (resid   28 and name  HB2) 3.65 1.85 1.85 ! 0.7678  754:2  Ambig  3.65, 4.59 A
    or (resid   29 and name  HB*) (resid   30 and name  HG1)                ! 0.2322  754:2  -----  4.45, 5.22 A
assign (resid   29 and name  HB*) (resid   30 and name  HG2) 3.65 1.85 1.85 ! 0.0000  755:2  Seq    3.89, 4.53 A
assign (resid   16 and name  HD2) (resid   16 and name  HB2) 3.15 1.35 1.35 ! 0.0000  756:2  Intra  3.91, 4.02 A
assign (resid   16 and name  HD1) (resid   16 and name  HB2) 3.15 1.35 1.35 ! 0.0000  757:2  Intra  3.85, 3.90 A
assign (resid    6 and name  HA1) (resid    7 and name  HB1) 3.65 1.85 1.85 ! 0.0000  758:2  Seq    4.87, 5.13 A
assign (resid   15 and name  HA1) (resid    7 and name  HB1) 4.15 2.35 2.35 ! 0.0000  759:2  Long   5.96, 6.37 A
assign (resid   24 and name   HB) (resid   26 and name  HG2) 4.15 2.35 2.35 ! 0.5145  761:2  Ambig  5.99, 6.09 A
    or (resid   24 and name   HB) (resid   19 and name  HB2)                ! 0.4855  761:2  -----  6.05, 6.09 A
assign (resid    1 and name   HA) (resid   16 and name  HB1) 3.15 1.35 1.35 ! 0.0000  762:2  Long   2.79, 3.24 A
assign (resid   30 and name  HD1) (resid   30 and name  HB1) 3.15 1.35 1.35 ! 0.0000  763:2  Intra  3.10, 3.25 A
assign (resid   16 and name  HD1) (resid   16 and name  HB1) 3.15 1.35 1.35 ! 0.9318  764:2  Intra  2.90, 3.03 A
assign (resid    5 and name   HA) (resid   34 and name  HG1) 2.65 0.85 0.85 ! 0.9922  765:2  Long   2.22, 2.59 A
assign (resid   27 and name   HA) (resid   28 and name   HG) 3.15 1.35 1.35 ! 0.8617  766:2  Seq    3.84, 4.03 A
assign (resid    5 and name   HA) (resid   34 and name  HB2) 3.65 1.85 1.85 ! 0.7564  768:2  Ambig  4.42, 4.67 A
    or (resid    5 and name   HA) (resid   36 and name  HB*)                ! 0.1305  768:2  -----  5.93, 6.45 A
assign (resid   24 and name   HB) (resid   26 and name  HG1) 3.65 1.85 1.85 ! 0.0000  770:2  Mid    4.44, 4.56 A
assign (resid   25 and name  HB2) (resid   19 and name  HB2) 3.65 1.85 1.85 ! 0.7379  771:2  Ambig  3.99, 4.15 A
    or (resid   35 and name  HB1) (resid   19 and name  HB2)                ! 0.2621  771:2  -----  4.74, 4.79 A
assign (resid    5 and name   HA) (resid    5 and name  HB2) 2.65 0.85 0.85 ! 0.9102  772:2  Intra  3.00, 3.02 A
assign (resid   10 and name  HA1) (resid   33 and name  HB2) 3.65 1.85 1.85 ! 0.4822  773:2  Ambig  3.63, 3.89 A
    or (resid   10 and name  HA1) (resid   13 and name  HB2)                ! 0.2832  773:2  -----  3.96, 4.41 A
    or (resid   10 and name  HA1) (resid   31 and name  HB2)                ! 0.0822  773:2  -----  4.87, 5.01 A
assign (resid    9 and name  HA1) (resid   33 and name  HB2) 2.65 0.85 0.85 ! 0.9838  774:2  Long   2.15, 2.33 A
assign (resid   15 and name  HA2) (resid   16 and name  HD2) 2.65 0.85 0.85 ! 0.0000  775:2  Seq    2.49, 2.79 A
assign (resid   16 and name  HD2) (resid   16 and name   HA) 3.65 1.85 1.85 ! 0.0000  779:2  Intra  3.98, 4.06 A
assign (resid    8 and name  HB2) (resid   17 and name   HB) 3.65 1.85 1.85 ! 0.7605  780:2  Ambig  4.06, 4.66 A
    or (resid    8 and name  HB2) (resid    2 and name   HA)                ! 0.2175  780:2  -----  5.01, 5.51 A
assign (resid    5 and name   HA) (resid    5 and name  HE*) 3.15 1.35 1.35 ! 0.5871  781:2  Ambig  4.69, 5.18 A
    or (resid    5 and name   HA) (resid   32 and name  HE*)                ! 0.2402  781:2  -----  5.45, 6.63 A
assign (resid   23 and name   HB) (resid    4 and name  HD2) 3.65 1.85 1.85 ! 0.9379  782:2  Long   3.90, 4.45 A
assign (resid   15 and name  HA1) (resid   13 and name  HE*) 3.65 1.85 1.85 ! 0.0000  783:2  Mid    2.87, 3.53 A
assign (resid   30 and name  HD2) (resid   31 and name  HD*) 3.15 1.35 1.35 ! 0.9821  784:2  Seq    2.63, 5.05 A
assign (resid   31 and name  HB1) (resid   31 and name  HE*) 3.65 1.85 1.85 ! 0.0000  785:2  Intra  4.63, 5.06 A
assign (resid   29 and name  HB*) (resid   29 and name HD22) 3.65 1.85 1.85 ! 0.5687  786:2  Ambig  3.45, 3.71 A
    or (resid   29 and name  HB*) (resid   31 and name  HD*)                ! 0.4202  786:2  -----  3.63, 6.16 A
assign (resid    5 and name  HB2) (resid    5 and name  HE*) 3.65 1.85 1.85 ! 0.0000  787:2  Intra  4.59, 5.04 A
assign (resid   10 and name  HA2) (resid    7 and name HE21) 3.15 1.35 1.35 ! 0.6774  788:2  Ambig  3.75, 3.92 A
    or (resid    7 and name   HA) (resid    7 and name HE21)                ! 0.2319  788:2  -----  4.49, 4.69 A
assign (resid    7 and name   HA) (resid   32 and name  HD*) 3.65 1.85 1.85 ! 0.8269  789:2  Long   4.59, 5.48 A
assign (resid   32 and name   HA) (resid    7 and name HE21) 3.15 1.35 1.35 ! 0.0000  792:2  Long   2.07, 2.55 A
assign (resid   32 and name   HA) (resid   32 and name  HE*) 3.15 1.35 1.35 ! 0.0000  793:2  Intra  4.50, 5.25 A
assign (resid    2 and name   HA) (resid   13 and name  HE*) 3.15 1.35 1.35 ! 0.5148  794:2  Ambig  4.46, 5.88 A
    or (resid   13 and name   HA) (resid   13 and name  HE*)                ! 0.4852  794:2  -----  4.51, 5.31 A
assign (resid   10 and name  HA2) (resid    7 and name HE22) 3.65 1.85 1.85 ! 0.6192  795:2  Ambig  4.58, 4.77 A
    or (resid   10 and name  HA2) (resid   31 and name  HD*)                ! 0.2020  795:2  -----  5.52, 6.42 A
assign (resid   31 and name   HA) (resid   32 and name   HN) 3.15 1.35 1.35 ! 0.9125  796:2  Seq    3.43, 3.47 A
assign (resid   10 and name  HA2) (resid   32 and name   HN) 3.15 1.35 1.35 ! 0.6542  797:2  Ambig  4.52, 4.55 A
    or (resid   10 and name  HA2) (resid   13 and name   HN)                ! 0.3458  797:2  -----  5.02, 5.11 A
assign (resid   30 and name   HA) (resid   32 and name   HN) 3.65 1.85 1.85 ! 0.6651  798:2  Ambig  4.41, 4.49 A
    or (resid    9 and name  HA2) (resid   13 and name   HN)                ! 0.2922  798:2  -----  5.05, 5.69 A
assign (resid   30 and name  HD1) (resid   31 and name  HD*) 3.65 1.85 1.85 ! 0.9097  799:2  Seq    4.22, 6.46 A
assign (resid   10 and name  HA1) (resid   33 and name   HN) 3.15 1.35 1.35 ! 0.9587  800:2  Long   2.51, 2.73 A
assign (resid   10 and name  HA1) (resid   32 and name   HN) 3.65 1.85 1.85 ! 0.7825  801:2  Ambig  3.63, 3.74 A
    or (resid   10 and name  HA1) (resid   13 and name   HN)                ! 0.2015  801:2  -----  4.55, 4.69 A
assign (resid   21 and name  HB*) (resid   23 and name   HN) 3.65 1.85 1.85 ! 0.0000  802:2  Mid    5.08, 5.56 A
assign (resid   23 and name   HB) (resid   23 and name   HN) 3.65 1.85 1.85 ! 0.0000  803:2  Intra  3.68, 3.71 A
assign (resid   31 and name  HB1) (resid   32 and name   HN) 3.65 1.85 1.85 ! 0.8946  804:2  Seq    3.72, 3.79 A
assign (resid    8 and name  HB2) (resid    8 and name   HN) 3.65 1.85 1.85 ! 0.9597  805:2  Intra  3.73, 3.78 A
assign (resid   29 and name  HB*) (resid   32 and name   HN) 3.65 1.85 1.85 ! 0.6149  806:2  Ambig  2.01, 2.82 A
    or (resid   29 and name  HB*) (resid   29 and name HD21)                ! 0.3851  806:2  -----  2.17, 2.75 A
assign (resid   33 and name  HB1) (resid   10 and name   HN) 3.15 1.35 1.35 ! 0.4301  807:2  Ambig  3.47, 3.63 A
    or (resid   33 and name  HB1) (resid   28 and name   HN)                ! 0.3429  807:2  -----  3.60, 4.02 A
    or (resid   33 and name  HB1) (resid   27 and name   HN)                ! 0.1876  807:2  -----  3.98, 4.33 A
assign (resid   30 and name  HD2) (resid   31 and name   HN) 3.15 1.35 1.35 ! 0.9843  808:2  Seq    2.38, 2.52 A
assign (resid   30 and name  HD1) (resid   31 and name   HN) 3.15 1.35 1.35 ! 0.8334  809:2  Seq    3.70, 3.80 A
assign (resid   20 and name   HA) (resid   21 and name   HN) 3.15 1.35 1.35 ! 0.8133  810:2  Seq    2.56, 2.66 A
assign (resid   30 and name   HA) (resid   31 and name   HN) 3.15 1.35 1.35 ! 0.8206  811:2  Seq    3.44, 3.49 A
assign (resid    6 and name  HA2) (resid    7 and name   HN) 3.15 1.35 1.35 ! 0.7420  812:2  Ambig  2.26, 2.42 A
    or (resid    7 and name   HA) (resid    7 and name   HN)                ! 0.2092  812:2  -----  2.80, 2.83 A
assign (resid   14 and name   HA) (resid   14 and name   HN) 3.65 1.85 1.85 ! 0.9067  813:2  Intra  2.87, 2.89 A
assign (resid   26 and name   HA) (resid   27 and name   HN) 3.65 1.85 1.85 ! 0.9935  814:2  Seq    2.02, 2.12 A
assign (resid   24 and name   HA) (resid   23 and name   HN) 3.65 1.85 1.85 ! 0.9304  815:2  Seq    4.64, 4.72 A
assign (resid    8 and name   HA) (resid    8 and name   HN) 3.15 1.35 1.35 ! 0.9921  816:2  Intra  2.94, 2.96 A
assign (resid   15 and name   HN) (resid   13 and name  HD*) 3.65 1.85 1.85 ! 0.5725  817:2  Ambig  3.17, 3.65 A
    or (resid    8 and name   HA) (resid   13 and name  HD*)                ! 0.4275  817:2  -----  3.33, 5.00 A
assign (resid   33 and name   HA) (resid   32 and name  HD*) 3.65 1.85 1.85 ! 0.0000  818:2  Seq    4.19, 5.13 A
assign (resid   35 and name  HB1) (resid   36 and name   HN) 3.65 1.85 1.85 ! 0.4809  819:2  Ambig  3.56, 3.63 A
    or (resid   35 and name  HB1) (resid    6 and name   HN)                ! 0.3134  819:2  -----  3.83, 4.03 A
    or (resid   35 and name  HB1) (resid    4 and name   HN)                ! 0.1433  819:2  -----  4.36, 4.53 A
assign (resid   25 and name  HB2) (resid   26 and name   HN) 3.15 1.35 1.35 ! 0.7136  820:2  Ambig  4.27, 4.35 A
    or (resid   35 and name  HB1) (resid   26 and name   HN)                ! 0.1793  820:2  -----  5.37, 5.49 A
assign (resid   35 and name  HB2) (resid    6 and name   HN) 3.15 1.35 1.35 ! 0.4247  821:2  Ambig  3.84, 4.06 A
    or (resid    5 and name  HB1) (resid    6 and name   HN)                ! 0.2375  821:2  -----  4.23, 4.35 A
    or (resid   35 and name  HB2) (resid   36 and name   HN)                ! 0.1937  821:2  -----  4.38, 4.44 A
assign (resid   33 and name  HB2) (resid   10 and name   HN) 3.15 1.35 1.35 ! 0.9577  822:2  Long   1.80, 1.96 A
assign (resid   32 and name  HB1) (resid   29 and name   HN) 3.15 1.35 1.35 ! 0.8640  823:2  Mid    3.26, 3.51 A
assign (resid   26 and name  HG1) (resid   26 and name   HN) 3.15 1.35 1.35 ! 0.8939  824:2  Intra  4.27, 4.33 A
assign (resid   26 and name  HG2) (resid   26 and name   HN) 3.15 1.35 1.35 ! 0.4793  825:2  Ambig  4.50, 4.52 A
    or (resid    7 and name  HG1) (resid   34 and name   HN)                ! 0.2682  825:2  -----  4.96, 5.21 A
    or (resid   26 and name  HG2) (resid   34 and name   HN)                ! 0.1888  825:2  -----  5.26, 5.46 A
assign (resid   25 and name  HB1) (resid   26 and name   HN) 3.65 1.85 1.85 ! 0.5094  826:2  Ambig  4.23, 4.31 A
    or (resid   13 and name  HB1) (resid   12 and name   HN)                ! 0.4512  826:2  -----  4.32, 4.48 A
assign (resid    8 and name  HB1) (resid    8 and name   HN) 3.15 1.35 1.35 ! 0.5211  827:2  Ambig  2.93, 3.05 A
    or (resid   33 and name  HB2) (resid    8 and name   HN)                ! 0.4557  827:2  -----  2.99, 3.14 A
assign (resid   31 and name  HB2) (resid   32 and name   HN) 3.15 1.35 1.35 ! 0.9414  828:2  Seq    2.81, 2.92 A
assign (resid    7 and name  HG1) (resid    7 and name HE21) 3.15 1.35 1.35 ! 0.9988  829:2  Intra  2.15, 2.28 A
assign (resid    7 and name  HG1) (resid    7 and name HE22) 3.15 1.35 1.35 ! 0.4076  830:2  Ambig  3.40, 3.46 A
    or (resid   26 and name  HG2) (resid   26 and name HE21)                ! 0.3896  830:2  -----  3.43, 3.46 A
    or (resid   30 and name  HB1) (resid   31 and name  HD*)                ! 0.2027  830:2  -----  3.83, 6.16 A
assign (resid    7 and name  HB2) (resid    8 and name   HN) 3.65 1.85 1.85 ! 0.8737  831:2  Seq    3.90, 4.05 A
assign (resid   34 and name  HB1) (resid   35 and name   HN) 3.65 1.85 1.85 ! 0.9628  832:2  Seq    3.78, 3.96 A
assign (resid    7 and name  HG1) (resid   32 and name  HD*) 3.65 1.85 1.85 ! 0.0000  833:2  Long   3.27, 4.89 A
assign (resid    7 and name  HG1) (resid   32 and name  HE*) 3.15 1.35 1.35 ! 0.8967  834:2  Long   3.39, 5.19 A
assign (resid   34 and name  HG1) (resid   32 and name  HE*) 3.15 1.35 1.35 ! 0.0000  835:2  Mid    3.76, 4.70 A
assign (resid   32 and name  HB1) (resid   33 and name   HN) 3.65 1.85 1.85 ! 0.9665  836:2  Seq    4.29, 4.34 A
assign (resid   32 and name  HB1) (resid   32 and name  HE*) 3.65 1.85 1.85 ! 0.0000  837:2  Intra  4.61, 5.07 A
assign (resid    5 and name  HB1) (resid    5 and name  HE*) 3.65 1.85 1.85 ! 0.0000  838:2  Intra  4.61, 5.04 A
assign (resid   28 and name  HB2) (resid   33 and name   HA) 3.15 1.35 1.35 ! 0.6662  839:2  Ambig  3.59, 3.70 A
    or (resid   34 and name  HB1) (resid   33 and name   HA)                ! 0.2637  839:2  -----  4.19, 4.32 A
assign (resid   30 and name  HB1) (resid   30 and name  HD1) 3.65 1.85 1.85 ! 0.0000  840:2  Intra  3.10, 3.25 A
assign (resid   16 and name  HB1) (resid    1 and name   HA) 3.65 1.85 1.85 ! 0.9487  841:2  Long   2.79, 3.24 A
assign (resid   16 and name  HB1) (resid   16 and name  HD1) 3.65 1.85 1.85 ! 0.9318  842:2  Intra  2.90, 3.03 A
assign (resid   35 and name  HB2) (resid   19 and name   HA) 3.15 1.35 1.35 ! 0.6721  843:2  Ambig  4.16, 4.31 A
    or (resid   35 and name  HB2) (resid    2 and name   HA)                ! 0.2399  843:2  -----  4.94, 5.19 A
assign (resid   35 and name  HB2) (resid   25 and name   HA) 3.15 1.35 1.35 ! 0.6537  844:2  Ambig  3.86, 3.96 A
    or (resid   35 and name  HB2) (resid    3 and name   HA)                ! 0.1905  844:2  -----  4.74, 4.98 A
assign (resid   35 and name  HB2) (resid   19 and name  HB1) 3.15 1.35 1.35 ! 0.0000  845:2  Long   3.49, 3.51 A
assign (resid   35 and name  HB1) (resid   19 and name  HB1) 3.15 1.35 1.35 ! 0.8556  846:2  Long   3.55, 3.59 A
assign (resid   16 and name  HB1) (resid   16 and name  HD2) 3.15 1.35 1.35 ! 0.0000  847:2  Intra  3.87, 3.92 A
assign (resid   30 and name  HG2) (resid   29 and name  HB*) 3.15 1.35 1.35 ! 0.0000  848:2  Seq    3.89, 4.53 A
assign (resid   19 and name  HB2) (resid   35 and name  HB2) 3.65 1.85 1.85 ! 0.9456  849:2  Long   4.54, 4.55 A
assign (resid   19 and name  HB2) (resid   25 and name  HB2) 3.15 1.35 1.35 ! 0.7379  850:2  Ambig  3.99, 4.15 A
    or (resid   19 and name  HB2) (resid   35 and name  HB1)                ! 0.2621  850:2  -----  4.74, 4.79 A
assign (resid   28 and name  HB2) (resid   29 and name  HB*) 3.15 1.35 1.35 ! 0.7678  851:2  Ambig  3.65, 4.59 A
    or (resid   30 and name  HG1) (resid   29 and name  HB*)                ! 0.2322  851:2  -----  4.45, 5.22 A
assign (resid   28 and name  HB2) (resid   32 and name  HB2) 3.65 1.85 1.85 ! 0.5183  852:2  Ambig  4.84, 5.02 A
    or (resid   34 and name  HB1) (resid    8 and name  HB1)                ! 0.1265  852:2  -----  6.12, 6.47 A
    or (resid   34 and name  HB1) (resid   33 and name  HB2)                ! 0.1153  852:2  -----  6.22, 6.30 A
    or (resid   27 and name   HB) (resid   33 and name  HB2)                ! 0.1095  852:2  -----  6.27, 6.49 A
assign (resid   28 and name  HB2) (resid   32 and name  HB1) 3.15 1.35 1.35 ! 0.9847  853:2  Mid    3.13, 3.35 A
assign (resid   33 and name  HB2) (resid    7 and name  HG1) 3.65 1.85 1.85 ! 0.4613  854:2  Ambig  3.51, 3.71 A
    or (resid   13 and name  HB2) (resid    7 and name  HG1)                ! 0.4236  854:2  -----  3.56, 4.03 A
assign (resid   32 and name  HB2) (resid   28 and name  HB2) 3.65 1.85 1.85 ! 0.4766  855:2  Ambig  4.84, 5.02 A
    or (resid    8 and name  HB1) (resid   34 and name  HB1)                ! 0.1163  855:2  -----  6.12, 6.47 A
    or (resid   33 and name  HB2) (resid   34 and name  HB1)                ! 0.1060  855:2  -----  6.22, 6.30 A
    or (resid   33 and name  HB2) (resid   27 and name   HB)                ! 0.1006  855:2  -----  6.27, 6.49 A
    or (resid   33 and name  HB2) (resid   28 and name  HB2)                ! 0.0760  855:2  -----  6.57, 6.67 A
assign (resid    8 and name  HB1) (resid   16 and name  HB2) 3.65 1.85 1.85 ! 0.4584  856:2  Ambig  5.07, 6.58 A
    or (resid   33 and name  HB2) (resid   28 and name   HG)                ! 0.2568  856:2  -----  5.59, 6.17 A
    or (resid   32 and name  HB2) (resid   28 and name  HB1)                ! 0.1479  856:2  -----  6.13, 6.35 A
assign (resid   32 and name  HB1) (resid   28 and name  HB1) 3.65 1.85 1.85 ! 0.6031  857:2  Ambig  4.44, 4.66 A
    or (resid   32 and name  HB1) (resid   28 and name   HG)                ! 0.3969  857:2  -----  4.76, 5.26 A
assign (resid   32 and name  HB1) (resid   28 and name  HB2) 3.65 1.85 1.85 ! 0.9847  858:2  Mid    3.13, 3.35 A
assign (resid   35 and name  HB2) (resid   19 and name  HB2) 3.65 1.85 1.85 ! 0.9456  860:2  Long   4.54, 4.55 A
assign (resid   26 and name  HG1) (resid   36 and name  HB*) 3.65 1.85 1.85 ! 0.0000  861:2  Long   4.43, 5.30 A
assign (resid   13 and name  HB2) (resid    7 and name  HG2) 3.65 1.85 1.85 ! 0.9525  863:2  Long   2.45, 2.94 A
assign (resid   35 and name  HB2) (resid   36 and name   HG) 3.65 1.85 1.85 ! 0.4205  864:2  Ambig  5.69, 5.84 A
    or (resid   35 and name  HB2) (resid   20 and name  HB*)                ! 0.3776  864:2  -----  5.79, 6.81 A
    or (resid    5 and name  HB1) (resid   36 and name   HG)                ! 0.2018  864:2  -----  6.43, 6.78 A
assign (resid    4 and name  HB2) (resid   20 and name  HB*) 3.65 1.85 1.85 ! 0.9875  865:2  Long   3.68, 5.32 A
assign (resid   30 and name  HG1) (resid   30 and name  HB2) 3.15 1.35 1.35 ! 0.9943  866:2  Intra  2.67, 2.70 A
assign (resid   18 and name   HB) (resid    1 and name HG2*) 3.15 1.35 1.35 ! 0.0000  867:2  Long   2.44, 4.06 A
assign (resid   16 and name  HG*) (resid    2 and name  HB*) 3.15 1.35 1.35 ! 0.0000  868:2  Long   2.53, 4.99 A
assign (resid   34 and name  HG2) (resid   36 and name   HG) 3.15 1.35 1.35 ! 0.8876  869:2  Mid    2.27, 2.82 A
assign (resid   34 and name  HB1) (resid   36 and name   HG) 3.65 1.85 1.85 ! 0.9946  870:2  Mid    2.95, 3.28 A
assign (resid   34 and name  HG1) (resid   36 and name   HG) 3.65 1.85 1.85 ! 0.0000  871:2  Mid    4.02, 4.53 A
assign (resid   26 and name  HG2) (resid   36 and name  HB*) 3.65 1.85 1.85 ! 0.5165  872:2  Ambig  4.51, 5.37 A
    or (resid    7 and name  HG1) (resid   34 and name  HB2)                ! 0.4583  872:2  -----  4.60, 4.90 A
assign (resid   36 and name  HB*) (resid   36 and name   HG) 2.30 0.50 0.50 ! 0.9735  873:2  Intra  2.48, 2.75 A
assign (resid   11 and name HG11) (resid   11 and name   HB) 3.15 1.35 1.35 ! 0.8219  874:2  Intra  2.46, 2.50 A
assign (resid   11 and name   HB) (resid   11 and name HG2*) 2.65 0.85 0.85 ! 0.0000  876:2  Intra  2.43, 2.64 A
assign (resid   30 and name  HB2) (resid   11 and name HD1*) 2.65 0.85 0.85 ! 0.6855  877:2  Ambig  2.23, 3.12 A
    or (resid   11 and name   HB) (resid   11 and name HD1*)                ! 0.3145  877:2  -----  2.53, 3.13 A
assign (resid   20 and name  HB*) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.0000  878:2  Mid    2.99, 5.19 A
assign (resid   11 and name HG2*) (resid   11 and name HD1*) 2.30 0.50 0.50 ! 0.0000  879:2  Intra  2.05, 3.72 A
assign (resid   36 and name HD2*) (resid   36 and name   HG) 2.30 0.50 0.50 ! 0.9628  881:2  Intra  2.39, 2.63 A
assign (resid   11 and name HG2*) (resid   11 and name   HB) 2.30 0.50 0.50 ! 0.9886  882:2  Intra  2.43, 2.64 A
assign (resid   30 and name  HB2) (resid   30 and name  HG2) 2.65 0.85 0.85 ! 0.0000  883:2  Intra  2.23, 2.26 A
assign (resid    2 and name  HB*) (resid   16 and name  HG*) 2.65 0.85 0.85 ! 0.9968  884:2  Long   2.53, 4.99 A
assign (resid    7 and name  HG2) (resid    7 and name  HB2) 3.15 1.35 1.35 ! 0.0000  885:2  Intra  2.97, 3.00 A
assign (resid   36 and name HD1*) (resid   26 and name  HB1) 2.65 0.85 0.85 ! 0.8802  887:2  Long   2.00, 3.17 A
assign (resid   36 and name  HB*) (resid   26 and name  HG1) 3.15 1.35 1.35 ! 0.0000  888:2  Long   4.43, 5.30 A
assign (resid    7 and name  HB1) (resid    7 and name  HG1) 2.65 0.85 0.85 ! 0.0000  889:2  Intra  2.98, 2.99 A
assign (resid   28 and name  HB1) (resid   32 and name  HB1) 3.15 1.35 1.35 ! 0.6031  890:2  Ambig  4.44, 4.66 A
    or (resid   28 and name   HG) (resid   32 and name  HB1)                ! 0.3969  890:2  -----  4.76, 5.26 A
assign (resid   28 and name   HG) (resid   33 and name  HB2) 3.65 1.85 1.85 ! 0.4741  891:2  Ambig  5.59, 6.17 A
    or (resid   28 and name  HB1) (resid   32 and name  HB2)                ! 0.2731  891:2  -----  6.13, 6.35 A
    or (resid   28 and name   HG) (resid   32 and name  HB2)                ! 0.2528  891:2  -----  6.21, 6.69 A
assign (resid    2 and name  HB*) (resid    8 and name  HB1) 3.15 1.35 1.35 ! 0.9991  892:2  Long   2.19, 3.07 A
assign (resid   36 and name HD1*) (resid   26 and name  HG1) 3.15 1.35 1.35 ! 0.6791  893:2  Ambig  4.14, 5.27 A
    or (resid   28 and name HD2*) (resid   26 and name  HG1)                ! 0.3209  893:2  -----  4.69, 5.96 A
assign (resid   28 and name HD2*) (resid   26 and name  HG2) 3.15 1.35 1.35 ! 0.6280  894:2  Ambig  3.02, 4.33 A
    or (resid   36 and name HD1*) (resid   26 and name  HG2)                ! 0.3720  894:2  -----  3.29, 4.41 A
assign (resid   27 and name HG2*) (resid   33 and name  HB2) 3.65 1.85 1.85 ! 0.9847  895:2  Long   3.58, 4.81 A
assign (resid    2 and name  HB*) (resid    8 and name  HB2) 3.15 1.35 1.35 ! 0.0000  896:2  Long   2.67, 3.29 A
assign (resid   27 and name HG2*) (resid   33 and name  HB1) 3.65 1.85 1.85 ! 0.0000  897:2  Long   2.45, 3.61 A
assign (resid   36 and name HD2*) (resid    5 and name  HB1) 3.65 1.85 1.85 ! 0.7284  898:2  Ambig  4.93, 5.66 A
    or (resid   36 and name HD2*) (resid   35 and name  HB2)                ! 0.1746  898:2  -----  6.25, 7.33 A
assign (resid   27 and name HG2*) (resid   30 and name   HA) 3.15 1.35 1.35 ! 0.5778  899:2  Ambig  4.89, 5.55 A
    or (resid   27 and name HG2*) (resid    9 and name  HA2)                ! 0.3552  899:2  -----  5.30, 6.68 A
assign (resid   11 and name HG2*) (resid   12 and name  HA1) 2.65 0.85 0.85 ! 0.7740  901:2  Ambig  3.60, 4.67 A
    or (resid   11 and name HG2*) (resid   31 and name   HA)                ! 0.2260  901:2  -----  4.41, 5.04 A
assign (resid    7 and name  HG2) (resid    7 and name   HA) 3.15 1.35 1.35 ! 0.9529  902:2  Intra  3.13, 3.31 A
assign (resid   34 and name  HB2) (resid    7 and name   HA) 3.15 1.35 1.35 ! 0.9250  903:2  Long   3.32, 3.51 A
assign (resid   30 and name  HB2) (resid   30 and name  HD2) 3.15 1.35 1.35 ! 0.0000  905:2  Intra  3.86, 3.91 A
assign (resid   36 and name  HB*) (resid   35 and name   HA) 3.15 1.35 1.35 ! 0.8586  906:2  Seq    4.24, 4.86 A
assign (resid   28 and name   HG) (resid   33 and name   HA) 3.15 1.35 1.35 ! 0.9756  907:2  Long   2.69, 3.26 A
assign (resid   16 and name  HB2) (resid   17 and name   HA) 3.65 1.85 1.85 ! 0.4445  908:2  Ambig  4.30, 4.40 A
    or (resid   28 and name   HG) (resid   34 and name   HA)                ! 0.2842  908:2  -----  4.63, 5.10 A
    or (resid   28 and name  HB1) (resid   29 and name   HA)                ! 0.2134  908:2  -----  4.86, 4.97 A
assign (resid   36 and name   HG) (resid   35 and name   HA) 3.65 1.85 1.85 ! 0.0000  909:2  Seq    3.53, 3.67 A
assign (resid   17 and name HG2*) (resid    8 and name   HA) 3.65 1.85 1.85 ! 0.7744  910:2  Ambig  3.55, 5.13 A
    or (resid   17 and name HG2*) (resid   15 and name   HN)                ! 0.2256  910:2  -----  4.36, 5.59 A
assign (resid   36 and name HD2*) (resid   35 and name   HA) 3.65 1.85 1.85 ! 0.8763  911:2  Seq    4.95, 5.79 A
assign (resid   28 and name HD1*) (resid   33 and name   HA) 3.65 1.85 1.85 ! 0.0000  912:2  Long   4.24, 5.19 A
assign (resid   27 and name HG2*) (resid   33 and name   HA) 3.15 1.35 1.35 ! 0.0000  913:2  Long   3.85, 4.89 A
assign (resid   28 and name HD2*) (resid   34 and name   HA) 3.65 1.85 1.85 ! 0.4620  914:2  Ambig  5.35, 7.09 A
    or (resid   36 and name HD1*) (resid   34 and name   HA)                ! 0.2768  914:2  -----  5.83, 6.79 A
    or (resid   28 and name HD2*) (resid   29 and name   HA)                ! 0.1382  914:2  -----  6.54, 7.25 A
assign (resid   27 and name HG1*) (resid   33 and name   HA) 3.65 1.85 1.85 ! 0.0000  915:2  Long   3.81, 4.84 A
assign (resid   27 and name HG1*) (resid   28 and name   HA) 3.65 1.85 1.85 ! 0.0000  916:2  Seq    4.04, 5.19 A
assign (resid   27 and name HG1*) (resid   29 and name  HB*) 3.65 1.85 1.85 ! 0.0000  917:2  Mid    5.25, 6.05 A
assign (resid   11 and name HG2*) (resid   31 and name  HB1) 3.65 1.85 1.85 ! 0.0000  918:2  Long   4.92, 6.13 A
assign (resid    2 and name  HB*) (resid   18 and name   HA) 3.65 1.85 1.85 ! 0.6013  919:2  Ambig  4.66, 5.65 A
    or (resid    2 and name  HB*) (resid    4 and name   HA)                ! 0.1433  919:2  -----  5.91, 6.67 A
    or (resid    2 and name  HB*) (resid   20 and name   HA)                ! 0.1364  919:2  -----  5.96, 7.00 A
assign (resid    2 and name  HB1) (resid    1 and name   HA) 3.65 1.85 1.85 ! 0.9817  920:2  Ambig  2.30, 5.91 A
    or (resid    2 and name  HB1) (resid  101 and name  H62)                ! 0.0000  920:2  -----  0.00, 0.00 A
assign (resid   17 and name HG2*) (resid    9 and name  HA1) 3.15 1.35 1.35 ! 0.8340  921:2  Long   3.20, 4.67 A
assign (resid   24 and name HG2*) (resid   23 and name   HA) 3.65 1.85 1.85 ! 0.0000  922:2  Seq    4.77, 5.65 A
assign (resid   24 and name HG2*) (resid   26 and name   HA) 4.15 2.35 2.35 ! 0.0000  923:2  Mid    6.16, 6.76 A
assign (resid    1 and name HG2*) (resid   19 and name   HA) 3.15 1.35 1.35 ! 0.9429  924:2  Long   2.73, 4.88 A
assign (resid   18 and name HG1*) (resid    1 and name   HB) 3.65 1.85 1.85 ! 0.7790  925:2  Ambig  3.63, 5.43 A
    or (resid   11 and name HG12) (resid   10 and name  HA2)                ! 0.1688  925:2  -----  4.68, 4.77 A
assign (resid   18 and name HG1*) (resid    1 and name   HA) 3.15 1.35 1.35 ! 0.8513  926:2  Long   4.02, 5.18 A
assign (resid    2 and name  HB*) (resid   17 and name   HA) 3.65 1.85 1.85 ! 0.9730  927:2  Long   2.94, 4.16 A
assign (resid   20 and name  HB*) (resid    1 and name   HB) 3.65 1.85 1.85 ! 0.9765  928:2  Long   2.75, 4.23 A
assign (resid   17 and name HG2*) (resid    9 and name  HA2) 3.15 1.35 1.35 ! 0.9923  929:2  Long   2.04, 3.21 A
assign (resid   30 and name  HB2) (resid   29 and name   HA) 4.15 2.35 2.35 ! 0.0000  930:2  Seq    5.85, 5.87 A
assign (resid   28 and name   HG) (resid   32 and name  HE*) 3.65 1.85 1.85 ! 0.7171  931:2  Ambig  3.78, 5.68 A
    or (resid   28 and name  HB1) (resid   32 and name  HE*)                ! 0.2829  931:2  -----  4.42, 6.52 A
assign (resid   34 and name  HB2) (resid   32 and name  HD*) 3.65 1.85 1.85 ! 0.0000  932:2  Mid    3.60, 4.60 A
assign (resid    7 and name  HB2) (resid   32 and name  HD*) 3.65 1.85 1.85 ! 0.9847  933:2  Long   3.17, 4.90 A
assign (resid   11 and name   HB) (resid   31 and name  HE*) 3.15 1.35 1.35 ! 0.6050  934:2  Ambig  2.84, 4.18 A
    or (resid   30 and name  HB2) (resid   31 and name  HE*)                ! 0.3950  934:2  -----  3.05, 5.10 A
assign (resid    7 and name  HG2) (resid   13 and name  HE*) 3.65 1.85 1.85 ! 0.8886  935:2  Long   3.28, 4.25 A
assign (resid   28 and name HD2*) (resid   32 and name  HD*) 3.15 1.35 1.35 ! 0.0000  936:2  Mid    5.05, 7.30 A
assign (resid    7 and name  HG2) (resid    7 and name HE21) 3.15 1.35 1.35 ! 0.0000  937:2  Intra  2.24, 2.78 A
assign (resid   36 and name HD1*) (resid   26 and name HE21) 3.65 1.85 1.85 ! 0.9155  938:2  Long   3.22, 5.16 A
assign (resid    7 and name  HG2) (resid    8 and name   HN) 3.15 1.35 1.35 ! 0.0000  939:2  Seq    2.69, 2.96 A
assign (resid   11 and name HG12) (resid   11 and name   HN) 3.15 1.35 1.35 ! 0.0000  940:2  Intra  3.09, 3.17 A
assign (resid   34 and name  HB2) (resid   35 and name   HN) 3.65 1.85 1.85 ! 0.7703  941:2  Ambig  3.90, 4.02 A
    or (resid   34 and name  HB2) (resid    7 and name   HN)                ! 0.1688  941:2  -----  5.02, 5.40 A
assign (resid   30 and name  HB2) (resid   31 and name   HN) 3.65 1.85 1.85 ! 0.7542  942:2  Ambig  3.33, 3.42 A
    or (resid    1 and name HG2*) (resid   19 and name   HN)                ! 0.1334  942:2  -----  4.44, 5.74 A
assign (resid   36 and name   HG) (resid   36 and name   HN) 3.15 1.35 1.35 ! 0.9858  943:2  Intra  2.87, 2.97 A
assign (resid   28 and name   HG) (resid   34 and name   HN) 3.65 1.85 1.85 ! 0.9735  944:2  Long   2.53, 2.86 A
assign (resid   28 and name HD1*) (resid   34 and name   HN) 3.15 1.35 1.35 ! 0.8029  945:2  Long   3.93, 4.67 A
assign (resid   36 and name HD2*) (resid   36 and name   HN) 3.65 1.85 1.85 ! 0.8241  946:2  Intra  4.13, 4.84 A
assign (resid   11 and name HD1*) (resid   11 and name   HN) 3.15 1.35 1.35 ! 0.0000  947:2  Intra  3.68, 4.22 A
assign (resid   23 and name HG2*) (resid    4 and name   HN) 3.65 1.85 1.85 ! 0.8281  948:2  Long   3.04, 4.05 A
assign (resid   23 and name HG2*) (resid    4 and name  HE1) 3.65 1.85 1.85 ! 0.9037  949:2  Long   3.93, 5.30 A
assign (resid   27 and name HG1*) (resid   32 and name   HN) 3.65 1.85 1.85 ! 0.8107  950:2  Long   4.85, 5.83 A
assign (resid   11 and name HG2*) (resid   11 and name   HN) 3.15 1.35 1.35 ! 0.9025  951:2  Intra  4.37, 4.51 A
assign (resid   11 and name HD1*) (resid   31 and name  HD*) 3.65 1.85 1.85 ! 0.0000  952:2  Long   2.91, 5.25 A
assign (resid   28 and name HD2*) (resid   32 and name  HE*) 3.15 1.35 1.35 ! 0.0000  953:2  Mid    5.03, 7.40 A
assign (resid   23 and name HG2*) (resid   35 and name   HA) 3.65 1.85 1.85 ! 0.0000  954:2  Long   4.87, 5.60 A
assign (resid   11 and name HD1*) (resid   31 and name   HA) 3.65 1.85 1.85 ! 0.0000  955:2  Long   3.43, 4.63 A
assign (resid   11 and name HD1*) (resid   30 and name   HA) 3.65 1.85 1.85 ! 0.0000  956:2  Long   4.30, 5.11 A
assign (resid   23 and name HG2*) (resid   22 and name  HA1) 3.65 1.85 1.85 ! 0.0000  957:2  Seq    3.92, 5.00 A
assign (resid   27 and name HG1*) (resid   30 and name  HD1) 3.65 1.85 1.85 ! 0.0000  958:2  Mid    4.78, 5.41 A
assign (resid   20 and name  HB*) (resid    4 and name  HB2) 3.65 1.85 1.85 ! 0.9593  959:2  Long   3.68, 5.32 A
assign (resid   36 and name HD1*) (resid   36 and name   HG) 2.30 0.50 0.50 ! 0.8638  964:2  Intra  2.42, 2.65 A
assign (resid   36 and name   HA) (resid   36 and name   HN) 3.15 1.35 1.35 ! 0.8679  965:2  Intra  2.88, 2.89 A
assign (resid   36 and name HD1*) (resid   36 and name   HN) 3.65 1.85 1.85 ! 0.8827  966:2  Intra  4.11, 4.83 A
assign (resid    7 and name HE21) (resid   32 and name  HE*) 3.65 1.85 1.85 ! 0.5739  967:2  Ambig  4.38, 6.29 A
    or (resid   18 and name   HN) (resid   13 and name  HE*)                ! 0.2208  967:2  -----  5.14, 7.51 A
    or (resid    7 and name HE21) (resid   13 and name  HE*)                ! 0.2053  967:2  -----  5.20, 6.55 A
assign (resid   30 and name  HD1) (resid   29 and name   HA) 2.65 0.85 0.85 ! 0.9920  968:2  Seq    2.52, 2.59 A
assign (resid   13 and name   HN) (resid   12 and name  HA1) 3.65 1.85 1.85 ! 0.8927  969:2  Seq    2.96, 3.08 A
assign (resid  101 and name   H2) (resid    6 and name  HA2) 3.65 1.85 1.85 ! 0.9718  971:2  Long   2.40, 3.12 A
assign (resid  101 and name  H62) (resid  101 and name   H5) 2.30 0.50 0.50 ! 0.5456  973:2  Ambig  2.39, 2.43 A
    or (resid  101 and name   H3) (resid  101 and name   H5)                ! 0.4544  973:2  -----  2.46, 2.88 A
assign (resid   15 and name  HA2) (resid   16 and name  HD1) 2.65 0.85 0.85 ! 0.9619  974:2  Seq    2.58, 2.76 A
assign (resid  101 and name   H5) (resid  101 and name  H62) 2.30 0.50 0.50 ! 0.5456  975:2  Ambig  2.39, 2.43 A
    or (resid  101 and name   H5) (resid  101 and name   H3)                ! 0.4544  975:2  -----  2.46, 2.88 A
assign (resid   23 and name   HB) (resid    4 and name   HA) 2.65 0.85 0.85 ! 0.5791  976:2  Ambig  3.62, 3.82 A
    or (resid  101 and name   H5) (resid    3 and name  HB2)                ! 0.4008  976:2  -----  3.84, 4.90 A
assign (resid   16 and name   HA) (resid   16 and name  HD1) 2.65 0.85 0.85 ! 0.9956  978:2  Intra  3.12, 3.41 A
assign (resid   16 and name   HA) (resid   16 and name  HD2) 3.15 1.35 1.35 ! 0.0000  979:2  Intra  3.98, 4.06 A
assign (resid   18 and name   HB) (resid    1 and name   HA) 3.15 1.35 1.35 ! 0.0000  980:2  Long   3.30, 3.47 A
assign (resid   16 and name  HB2) (resid   16 and name  HD2) 3.15 1.35 1.35 ! 0.0000  981:2  Intra  3.91, 4.02 A
assign (resid    7 and name HE21) (resid   13 and name  HB1) 3.65 1.85 1.85 ! 0.9949  982:2  Long   2.97, 3.79 A
assign (resid    8 and name   HA) (resid    8 and name  HB1) 2.30 0.50 0.50 ! 0.9633  983:2  Intra  2.37, 2.42 A
assign (resid   10 and name  HA2) (resid   13 and name  HB1) 3.65 1.85 1.85 ! 0.8562  984:2  Mid    4.75, 5.05 A
assign (resid   19 and name  HB1) (resid   35 and name  HB1) 3.15 1.35 1.35 ! 0.8556  985:2  Long   3.55, 3.59 A
assign (resid   32 and name  HE*) (resid   34 and name  HG1) 3.15 1.35 1.35 ! 0.0000  986:2  Mid    3.76, 4.70 A
assign (resid   15 and name  HA2) (resid   16 and name  HG*) 3.15 1.35 1.35 ! 0.7534  987:2  Ambig  4.55, 4.90 A
    or (resid   24 and name   HB) (resid   26 and name  HB1)                ! 0.2466  987:2  -----  5.48, 5.62 A
assign (resid   34 and name   HN) (resid   28 and name   HG) 3.15 1.35 1.35 ! 0.9904  988:2  Long   2.53, 2.86 A
assign (resid   34 and name   HN) (resid   34 and name  HB1) 2.65 0.85 0.85 ! 0.9451  989:2  Intra  2.46, 2.60 A
assign (resid   34 and name  HG2) (resid   34 and name  HB2) 2.65 0.85 0.85 ! 0.5084  990:2  Ambig  2.98, 2.99 A
    or (resid   26 and name  HB1) (resid   36 and name  HB*)                ! 0.4120  990:2  -----  3.09, 3.98 A
assign (resid   28 and name HD2*) (resid   28 and name   HG) 2.65 0.85 0.85 ! 0.4991  991:2  Ambig  2.40, 2.61 A
    or (resid   28 and name HD2*) (resid   28 and name  HB1)                ! 0.4544  991:2  -----  2.44, 3.16 A
assign (resid   36 and name HD2*) (resid   34 and name  HG2) 2.65 0.85 0.85 ! 0.8509  992:2  Mid    2.68, 3.66 A
assign (resid   36 and name   HN) (resid   36 and name HD2*) 3.15 1.35 1.35 ! 0.8241  995:2  Intra  4.13, 4.84 A
assign (resid   23 and name   HB) (resid   36 and name  HB*) 3.65 1.85 1.85 ! 0.5226  996:2  Ambig  5.95, 6.37 A
    or (resid    6 and name  HA1) (resid   34 and name  HB2)                ! 0.4774  996:2  -----  6.04, 6.33 A
assign (resid   28 and name  HB1) (resid   29 and name  HB*) 3.65 1.85 1.85 ! 0.8291  997:2  Seq    4.39, 5.32 A
assign (resid    4 and name  HB1) (resid   23 and name HG2*) 3.15 1.35 1.35 ! 0.0000  998:2  Long   3.84, 4.21 A
# Restraints file 2: talos.tbl

!    2 A  -88.887  135.834   18.753   12.090    1.023 0.786 25 13 Strong
assign (resid    1 and name C    ) (resid    2 and name N    )
       (resid    2 and name CA   ) (resid    2 and name C    )    1.0  -88.9   37.5 2
assign (resid    2 and name N    ) (resid    2 and name CA   )
       (resid    2 and name C    ) (resid    3 and name N    )    1.0  135.8   24.2 2

!    3 S -142.102  157.961   12.028   10.003    0.936 0.812 25 15 Strong
!assign (resid    2 and name C    ) (resid    3 and name N    )
!       (resid    3 and name CA   ) (resid    3 and name C    )    1.0 -142.1   24.1 2
!assign (resid    3 and name N    ) (resid    3 and name CA   )
!       (resid    3 and name C    ) (resid    4 and name N    )    1.0  158.0   20.0 2

!    4 H  -76.096  138.350   26.143   12.693    1.121 0.817 25 15 Strong
assign (resid    3 and name C    ) (resid    4 and name N    )
       (resid    4 and name CA   ) (resid    4 and name C    )    1.0  -76.1   52.3 2
assign (resid    4 and name N    ) (resid    4 and name CA   )
       (resid    4 and name C    ) (resid    5 and name N    )    1.0  138.3   25.4 2

!    5 Y   64.912   21.882    9.728   10.995    1.378 0.802 25 14 Strong
assign (resid    4 and name C    ) (resid    5 and name N    )
       (resid    5 and name CA   ) (resid    5 and name C    )    1.0   64.9   20.0 2
assign (resid    5 and name N    ) (resid    5 and name CA   )
       (resid    5 and name C    ) (resid    6 and name N    )    1.0   21.9   22.0 2

!   10 G  -78.729  167.251   13.205   17.282    1.276 0.800 25 13 Strong
assign (resid    9 and name C    ) (resid   10 and name N    )
       (resid   10 and name CA   ) (resid   10 and name C    )    1.0  -78.7   26.4 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name C    ) (resid   11 and name N    )    1.0  167.3   34.6 2

!   11 I  -60.120  136.254    7.636    9.578    0.858 0.761 25 13 Strong
assign (resid   10 and name C    ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    1.0  -60.1   20.0 2
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name C    ) (resid   12 and name N    )    1.0  136.3   20.0 2

!   13 Y  -71.543  128.425   14.579   10.678    0.892 0.705 25 14 Strong
assign (resid   12 and name C    ) (resid   13 and name N    )
       (resid   13 and name CA   ) (resid   13 and name C    )    1.0  -71.5   29.2 2
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name C    ) (resid   14 and name N    )    1.0  128.4   21.4 2

!   14 S -111.849    1.823   10.820   18.422    0.931 0.703 25 14 Strong
assign (resid   13 and name C    ) (resid   14 and name N    )
       (resid   14 and name CA   ) (resid   14 and name C    )    1.0 -111.8   21.6 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name C    ) (resid   15 and name N    )    1.0    1.8   36.8 2

!   18 V  -89.421  132.728   21.525   10.646    1.223 0.694 25 15 Strong
assign (resid   17 and name C    ) (resid   18 and name N    )
       (resid   18 and name CA   ) (resid   18 and name C    )    1.0  -89.4   43.0 2
assign (resid   18 and name N    ) (resid   18 and name CA   )
       (resid   18 and name C    ) (resid   19 and name N    )    1.0  132.7   21.3 2

!   19 C  -73.970  134.861   12.708   21.211    1.266 0.792 10 15 Generous
assign (resid   18 and name C    ) (resid   19 and name N    )
       (resid   19 and name CA   ) (resid   19 and name C    )    1.0  -74.0   38.1 2
assign (resid   19 and name N    ) (resid   19 and name CA   )
       (resid   19 and name C    ) (resid   20 and name N    )    1.0  134.9   63.6 2

!   21 S  -59.045  133.340    5.920    5.102    0.327 0.768 25 14 Strong
assign (resid   20 and name C    ) (resid   21 and name N    )
       (resid   21 and name CA   ) (resid   21 and name C    )    1.0  -59.0   20.0 2
assign (resid   21 and name N    ) (resid   21 and name CA   )
       (resid   21 and name C    ) (resid   22 and name N    )    1.0  133.3   20.0 2

!   22 G   90.400   -0.445    7.487    8.327    0.262 0.755 25 14 Strong
assign (resid   21 and name C    ) (resid   22 and name N    )
       (resid   22 and name CA   ) (resid   22 and name C    )    1.0   90.4   20.0 2
assign (resid   22 and name N    ) (resid   22 and name CA   )
       (resid   22 and name C    ) (resid   23 and name N    )    1.0   -0.4   20.0 2

!   23 T -126.808  155.197   11.573    9.915    0.381 0.784 25 14 Strong
assign (resid   22 and name C    ) (resid   23 and name N    )
       (resid   23 and name CA   ) (resid   23 and name C    )    1.0 -126.8   23.1 2
assign (resid   23 and name N    ) (resid   23 and name CA   )
       (resid   23 and name C    ) (resid   24 and name N    )    1.0  155.2   20.0 2

!   24 T -127.591  146.972   14.678    9.792    0.427 0.798 25 15 Strong
assign (resid   23 and name C    ) (resid   24 and name N    )
       (resid   24 and name CA   ) (resid   24 and name C    )    1.0 -127.6   29.4 2
assign (resid   24 and name N    ) (resid   24 and name CA   )
       (resid   24 and name C    ) (resid   25 and name N    )    1.0  147.0   20.0 2

!   25 C  -70.492  132.607    6.625   16.407    0.558 0.806 25 15 Strong
assign (resid   24 and name C    ) (resid   25 and name N    )
       (resid   25 and name CA   ) (resid   25 and name C    )    1.0  -70.5   20.0 2
assign (resid   25 and name N    ) (resid   25 and name CA   )
       (resid   25 and name C    ) (resid   26 and name N    )    1.0  132.6   32.8 2

!   26 Q  -90.193  134.980   17.532   14.545    0.559 0.800 25 15 Strong
assign (resid   25 and name C    ) (resid   26 and name N    )
       (resid   26 and name CA   ) (resid   26 and name C    )    1.0  -90.2   35.1 2
assign (resid   26 and name N    ) (resid   26 and name CA   )
       (resid   26 and name C    ) (resid   27 and name N    )    1.0  135.0   29.1 2

!   27 V  -77.077  130.696   13.968   18.216    0.529 0.799 25 15 Strong
assign (resid   26 and name C    ) (resid   27 and name N    )
       (resid   27 and name CA   ) (resid   27 and name C    )    1.0  -77.1   27.9 2
assign (resid   27 and name N    ) (resid   27 and name CA   )
       (resid   27 and name C    ) (resid   28 and name N    )    1.0  130.7   36.4 2

!   30 P  -61.395  -22.914    5.440    8.724    0.734 0.802 25 13 Strong
assign (resid   29 and name C    ) (resid   30 and name N    )
       (resid   30 and name CA   ) (resid   30 and name C    )    1.0  -61.4   20.0 2
assign (resid   30 and name N    ) (resid   30 and name CA   )
       (resid   30 and name C    ) (resid   31 and name N    )    1.0  -22.9   20.0 2

!   31 Y  -97.178   -3.646    8.484    9.629    0.670 0.816 25 13 Strong
assign (resid   30 and name C    ) (resid   31 and name N    )
       (resid   31 and name CA   ) (resid   31 and name C    )    1.0  -97.2   20.0 2
assign (resid   31 and name N    ) (resid   31 and name CA   )
       (resid   31 and name C    ) (resid   32 and name N    )    1.0   -3.6   20.0 2

!   32 Y  -70.891  135.712   15.262    6.758    0.854 0.847 25 15 Strong
assign (resid   31 and name C    ) (resid   32 and name N    )
       (resid   32 and name CA   ) (resid   32 and name C    )    1.0  -70.9   30.5 2
assign (resid   32 and name N    ) (resid   32 and name CA   )
       (resid   32 and name C    ) (resid   33 and name N    )    1.0  135.7   20.0 2

!   33 S -115.900  133.416   13.994   11.004    0.895 0.877 25 15 Strong
assign (resid   32 and name C    ) (resid   33 and name N    )
       (resid   33 and name CA   ) (resid   33 and name C    )    1.0 -115.9   28.0 2
assign (resid   33 and name N    ) (resid   33 and name CA   )
       (resid   33 and name C    ) (resid   34 and name N    )    1.0  133.4   22.0 2

!   34 Q -132.908  141.095   10.451   12.687    1.019 0.886 25 15 Strong
assign (resid   33 and name C    ) (resid   34 and name N    )
       (resid   34 and name CA   ) (resid   34 and name C    )    1.0 -132.9   20.9 2
assign (resid   34 and name N    ) (resid   34 and name CA   )
       (resid   34 and name C    ) (resid   35 and name N    )    1.0  141.1   25.4 2

!   35 C  -84.169  129.994   11.219   12.884    1.399 0.883 25 15 Strong
assign (resid   34 and name C    ) (resid   35 and name N    )
       (resid   35 and name CA   ) (resid   35 and name C    )    1.0  -84.2   22.4 2
assign (resid   35 and name N    ) (resid   35 and name CA   )
       (resid   35 and name C    ) (resid   36 and name N    )    1.0  130.0   25.8 2


!    3 S Chi1 g+  60+-30deg
!assign (resid    3 and name N    ) (resid    3 and name CA   )
!       (resid    3 and name CB   ) (resid    3 and name OG   )    1.0   60.0   30.0 2
!    4 H Chi1 t  180+-30deg
assign (resid    4 and name N    ) (resid    4 and name CA   )
       (resid    4 and name CB   ) (resid    4 and name CG   )    1.0  180.0   30.0 2
!    5 Y Chi1 g- -60+-30deg
assign (resid    5 and name N    ) (resid    5 and name CA   )
       (resid    5 and name CB   ) (resid    5 and name CG   )    1.0  -60.0   30.0 2
!    7 Q Chi1 t  180+-30deg
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name CB   ) (resid    7 and name CG   )    1.0  180.0   30.0 2
!    8 c Chi1 g+   60+-30deg
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name CB   ) (resid    8 and name SG   )    1.0   60.0   30.0 2
!   11 I Chi1 g- -60+-30deg
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name CB   ) (resid   11 and name CG1  )    1.0  -60.0   30.0 2
!   11 I Chi2 t  180+-30deg
assign (resid   11 and name CA   ) (resid   11 and name CB   )
       (resid   11 and name CG1  ) (resid   11 and name CD1  )    1.0  180.0   30.0 2
!   13 Q Chi1 t  180+-30deg
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name CB   ) (resid   13 and name CG   )    1.0  180.0   30.0 2
!   14 S Chi1 g+  60+-30deg
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name CB   ) (resid   14 and name OG   )    1.0   60.0   30.0 2
!   17 T Chi1 g+  60+-30deg
assign (resid   17 and name N    ) (resid   17 and name CA   )
       (resid   17 and name CB   ) (resid   17 and name OG1  )    1.0   60.0   30.0 2
!   18 V Chi1 t  180+-30deg
assign (resid   18 and name N    ) (resid   18 and name CA   )
       (resid   18 and name CB   ) (resid   18 and name CG1  )    1.0  180.0   30.0 2
!   19 c Chi1 g- -60+-30deg
assign (resid   19 and name N    ) (resid   19 and name CA   )
       (resid   19 and name CB   ) (resid   19 and name SG   )    1.0  -60.0   30.0 2
!   23 T Chi1 g+  60+-30deg
assign (resid   23 and name N    ) (resid   23 and name CA   )
       (resid   23 and name CB   ) (resid   23 and name OG1  )    1.0   60.0   30.0 2
!   24 T Chi1 g+ 180+-30deg
assign (resid   24 and name N    ) (resid   24 and name CA   )
       (resid   24 and name CB   ) (resid   24 and name OG1  )    1.0   60.0   30.0 2
!   25 c Chi1 t  180+-30deg
assign (resid   25 and name N    ) (resid   25 and name CA   )
       (resid   25 and name CB   ) (resid   25 and name SG   )    1.0  180.0   30.0 2
!   26 Q Chi1 g- -60+-30deg
assign (resid   26 and name N    ) (resid   26 and name CA   )
       (resid   26 and name CB   ) (resid   26 and name CG   )    1.0  -60.0   30.0 2
!   27 V Chi1 t  180+-30deg
assign (resid   27 and name N    ) (resid   27 and name CA   )
       (resid   27 and name CB   ) (resid   27 and name CG1  )    1.0  180.0   30.0 2
!   28 L Chi1 g- -60+-30deg
assign (resid   28 and name N    ) (resid   28 and name CA   )
       (resid   28 and name CB   ) (resid   28 and name CG   )    1.0  -60.0   30.0 2
!   28 L Chi2 t  180+-30deg
assign (resid   28 and name CA   ) (resid   28 and name CB   )
       (resid   28 and name CG   ) (resid   28 and name CD1  )    1.0  180.0   30.0 2
!   31 Y Chi1 g- -60+-30deg
assign (resid   31 and name N    ) (resid   31 and name CA   )
       (resid   31 and name CB   ) (resid   31 and name CG   )    1.0  -60.0   30.0 2
!   32 Y Chi1 t  180+-30deg
assign (resid   32 and name N    ) (resid   32 and name CA   )
       (resid   32 and name CB   ) (resid   32 and name CG   )    1.0  180.0   30.0 2
!   33 S Chi1 g- -60+-30deg
assign (resid   33 and name N    ) (resid   33 and name CA   )
       (resid   33 and name CB   ) (resid   33 and name OG   )    1.0  -60.0   30.0 2
!   35 c Chi1 t  180+-30deg
assign (resid   35 and name N    ) (resid   35 and name CA   )
       (resid   35 and name CB   ) (resid   35 and name SG   )    1.0  180.0   30.0 2
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   THR   1           H1       THR   1  -3.897 -11.769  -3.911
    2    H2   THR   1           H2       THR   1  -2.988 -11.786  -2.480
    3    H3   THR   1           H3       THR   1  -2.435 -10.907  -3.810
    4    HA   THR   1           HA       THR   1  -4.333  -9.433  -3.557
    5    HB   THR   1           HB       THR   1  -5.489  -9.760  -1.263
    6    HG1  THR   1           HG1      THR   1  -4.580 -11.454  -0.286
    7   HG21  THR   1          HG21      THR   1  -6.651 -10.016  -3.417
    8   HG22  THR   1          HG22      THR   1  -7.194 -11.234  -2.263
    9   HG23  THR   1          HG23      THR   1  -6.059 -11.673  -3.542
   10    H    ALA   2           H        ALA   2  -4.255  -7.665  -2.039
   11    HA   ALA   2           HA       ALA   2  -1.618  -7.355  -1.003
   12    HB1  ALA   2           HB1      ALA   2  -3.982  -5.478  -0.731
   13    HB2  ALA   2           HB2      ALA   2  -2.800  -5.476  -2.041
   14    HB3  ALA   2           HB3      ALA   2  -2.291  -5.105  -0.399
   15    H    SER   3           H        SER   3  -1.165  -6.776   1.168
   16    HA   SER   3           HA       SER   3  -2.630  -8.515   2.978
   17    HB2  SER   3           HB2      SER   3  -0.332  -8.312   4.178
   18    HB3  SER   3           HB3      SER   3  -0.433  -9.309   2.725
   19    H    HIS   4           H        HIS   4  -2.865  -7.842   5.160
   20    HA   HIS   4           HA       HIS   4  -3.720  -5.143   5.458
   21    HB2  HIS   4           HB2      HIS   4  -4.676  -7.241   6.596
   22    HB3  HIS   4           HB3      HIS   4  -3.267  -7.188   7.633
   23    HD1  HIS   4           HD1      HIS   4  -4.594  -6.767   9.761
   24    HD2  HIS   4           HD2      HIS   4  -5.275  -3.914   6.822
   25    HE1  HIS   4           HE1      HIS   4  -5.984  -4.995  10.848
   26    HE2  HIS   4           HE2      HIS   4  -6.368  -3.271   9.075
   27    H    TYR   5           H        TYR   5  -2.488  -3.483   5.968
   28    HA   TYR   5           HA       TYR   5  -0.928  -2.167   6.814
   29    HB2  TYR   5           HB2      TYR   5  -0.043  -4.574   8.398
   30    HB3  TYR   5           HB3      TYR   5   0.831  -3.046   8.459
   31    HD1  TYR   5           HD1      TYR   5  -2.132  -4.858   9.512
   32    HD2  TYR   5           HD2      TYR   5  -0.241  -1.058   9.418
   33    HE1  TYR   5           HE1      TYR   5  -3.663  -4.054  11.243
   34    HE2  TYR   5           HE2      TYR   5  -1.775  -0.245  11.150
   35    HH   TYR   5           HH       TYR   5  -4.008  -0.793  11.997
   36    H    GLY   6           H        GLY   6  -0.573  -4.297   4.599
   37    HA2  GLY   6           HA2      GLY   6   2.249  -3.713   4.113
   38    HA3  GLY   6           HA3      GLY   6   1.280  -4.940   3.289
   39    H    GLN   7           H        GLN   7   2.704  -3.169   1.790
   40    HA   GLN   7           HA       GLN   7   1.172  -0.891   1.055
   41    HB2  GLN   7           HB2      GLN   7   3.625  -1.103   0.686
   42    HB3  GLN   7           HB3      GLN   7   3.299  -2.361  -0.505
   43    HG2  GLN   7           HG2      GLN   7   2.235  -0.788  -1.954
   44    HG3  GLN   7           HG3      GLN   7   2.368   0.496  -0.752
   45   HE21  GLN   7          HE21      GLN   7   3.673   1.840  -2.153
   46   HE22  GLN   7          HE22      GLN   7   5.278   1.386  -2.506
   47    H    CYS   8           H        CYS   8  -0.513  -0.800  -0.223
   48    HA   CYS   8           HA       CYS   8  -1.329  -3.255  -1.608
   49    HB2  CYS   8           HB2      CYS   8  -3.560  -2.222  -1.695
   50    HB3  CYS   8           HB3      CYS   8  -2.951  -2.492  -0.062
   51    H    GLY   9           H        GLY   9  -0.810   0.196  -2.217
   52    HA2  GLY   9           HA2      GLY   9  -0.515  -0.355  -5.010
   53    HA3  GLY   9           HA3      GLY   9  -2.071   0.363  -4.619
   54    H    GLY  10           H        GLY  10   1.364   0.837  -4.237
   55    HA2  GLY  10           HA2      GLY  10   0.849   3.729  -4.252
   56    HA3  GLY  10           HA3      GLY  10   2.330   2.967  -3.664
   57    H    ILE  11           H        ILE  11   2.562   4.964  -5.482
   58    HA   ILE  11           HA       ILE  11   2.667   4.058  -8.152
   59    HB   ILE  11           HB       ILE  11   4.336   6.250  -6.863
   60   HG12  ILE  11          HG12      ILE  11   1.684   6.484  -8.308
   61   HG13  ILE  11          HG13      ILE  11   1.867   6.527  -6.559
   62   HG21  ILE  11          HG21      ILE  11   3.581   5.772  -9.755
   63   HG22  ILE  11          HG22      ILE  11   5.176   5.526  -9.056
   64   HG23  ILE  11          HG23      ILE  11   4.494   7.152  -9.146
   65   HD11  ILE  11          HD11      ILE  11   1.628   8.754  -7.484
   66   HD12  ILE  11          HD12      ILE  11   3.037   8.490  -8.513
   67   HD13  ILE  11          HD13      ILE  11   3.223   8.543  -6.760
   68    H    GLY  12           H        GLY  12   3.988   2.603  -8.982
   69    HA2  GLY  12           HA2      GLY  12   6.207   1.833  -9.465
   70    HA3  GLY  12           HA3      GLY  12   6.673   2.289  -7.828
   71    H    TYR  13           H        TYR  13   3.954   1.109  -7.046
   72    HA   TYR  13           HA       TYR  13   5.051  -1.512  -6.517
   73    HB2  TYR  13           HB2      TYR  13   3.948  -0.239  -4.705
   74    HB3  TYR  13           HB3      TYR  13   2.445  -0.252  -5.608
   75    HD1  TYR  13           HD1      TYR  13   4.942  -2.520  -4.035
   76    HD2  TYR  13           HD2      TYR  13   0.911  -1.979  -5.248
   77    HE1  TYR  13           HE1      TYR  13   4.329  -4.599  -2.885
   78    HE2  TYR  13           HE2      TYR  13   0.285  -4.058  -4.107
   79    HH   TYR  13           HH       TYR  13   1.135  -5.958  -3.225
   80    H    SER  14           H        SER  14   4.922  -2.882  -8.147
   81    HA   SER  14           HA       SER  14   2.661  -2.886  -9.928
   82    HB2  SER  14           HB2      SER  14   4.242  -4.622 -11.018
   83    HB3  SER  14           HB3      SER  14   4.708  -2.915 -11.030
   84    HG   SER  14           HG       SER  14   6.478  -3.984 -10.292
   85    H    GLY  15           H        GLY  15   3.132  -4.120  -7.021
   86    HA2  GLY  15           HA2      GLY  15   2.600  -6.929  -7.383
   87    HA3  GLY  15           HA3      GLY  15   2.593  -6.053  -5.856
   88    HA   PRO  16           HA       PRO  16  -1.748  -7.357  -6.794
   89    HB2  PRO  16           HB2      PRO  16  -2.118  -8.038  -4.147
   90    HB3  PRO  16           HB3      PRO  16  -1.594  -9.172  -5.399
   91    HG2  PRO  16           HG2      PRO  16   0.111  -7.532  -3.533
   92    HG3  PRO  16           HG3      PRO  16   0.211  -9.294  -3.836
   93    HD2  PRO  16           HD2      PRO  16   1.866  -7.672  -4.962
   94    HD3  PRO  16           HD3      PRO  16   1.074  -8.895  -5.979
   95    H    THR  17           H        THR  17  -2.895  -5.498  -6.921
   96    HA   THR  17           HA       THR  17  -2.664  -3.500  -4.841
   97    HB   THR  17           HB       THR  17  -4.179  -2.255  -6.543
   98    HG1  THR  17           HG1      THR  17  -4.435  -3.162  -8.433
   99   HG21  THR  17          HG21      THR  17  -2.201  -1.585  -7.864
  100   HG22  THR  17          HG22      THR  17  -1.314  -2.971  -7.221
  101   HG23  THR  17          HG23      THR  17  -1.830  -1.678  -6.143
  102    H    VAL  18           H        VAL  18  -4.715  -6.012  -5.798
  103    HA   VAL  18           HA       VAL  18  -7.055  -4.856  -4.536
  104    HB   VAL  18           HB       VAL  18  -6.679  -7.631  -5.716
  105   HG11  VAL  18          HG11      VAL  18  -8.467  -7.554  -4.071
  106   HG12  VAL  18          HG12      VAL  18  -9.134  -7.742  -5.695
  107   HG13  VAL  18          HG13      VAL  18  -9.188  -6.172  -4.893
  108   HG21  VAL  18          HG21      VAL  18  -6.448  -5.898  -7.418
  109   HG22  VAL  18          HG22      VAL  18  -7.979  -5.182  -6.912
  110   HG23  VAL  18          HG23      VAL  18  -7.954  -6.790  -7.634
  111    H    CYS  19           H        CYS  19  -7.389  -5.049  -2.457
  112    HA   CYS  19           HA       CYS  19  -5.647  -6.519  -0.772
  113    HB2  CYS  19           HB2      CYS  19  -8.074  -4.839  -0.222
  114    HB3  CYS  19           HB3      CYS  19  -7.188  -5.698   1.034
  115    H    ALA  20           H        ALA  20  -6.441  -7.788   1.042
  116    HA   ALA  20           HA       ALA  20  -7.923 -10.058   0.158
  117    HB1  ALA  20           HB1      ALA  20  -5.946 -10.279   1.604
  118    HB2  ALA  20           HB2      ALA  20  -7.376 -10.888   2.439
  119    HB3  ALA  20           HB3      ALA  20  -6.722  -9.301   2.837
  120    H    SER  21           H        SER  21  -9.761 -10.853   1.590
  121    HA   SER  21           HA       SER  21 -11.789  -8.927   1.688
  122    HB2  SER  21           HB2      SER  21 -11.705 -11.604   3.057
  123    HB3  SER  21           HB3      SER  21 -13.139 -10.716   2.547
  124    HG   SER  21           HG       SER  21 -12.050 -12.497   1.157
  125    H    GLY  22           H        GLY  22 -12.213  -7.477   3.204
  126    HA2  GLY  22           HA2      GLY  22 -12.743  -6.944   5.466
  127    HA3  GLY  22           HA3      GLY  22 -11.511  -8.086   5.976
  128    H    THR  23           H        THR  23 -10.227  -6.447   3.442
  129    HA   THR  23           HA       THR  23  -9.157  -4.356   5.175
  130    HB   THR  23           HB       THR  23  -6.880  -4.753   4.126
  131    HG1  THR  23           HG1      THR  23  -8.329  -6.689   2.779
  132   HG21  THR  23          HG21      THR  23  -6.336  -6.730   5.464
  133   HG22  THR  23          HG22      THR  23  -8.055  -7.077   5.653
  134   HG23  THR  23          HG23      THR  23  -7.365  -5.614   6.360
  135    H    THR  24           H        THR  24  -8.396  -2.439   4.042
  136    HA   THR  24           HA       THR  24  -9.332  -2.296   1.277
  137    HB   THR  24           HB       THR  24 -10.125   0.060   1.757
  138    HG1  THR  24           HG1      THR  24  -9.359  -0.647   4.312
  139   HG21  THR  24          HG21      THR  24 -11.602  -2.226   3.062
  140   HG22  THR  24          HG22      THR  24 -11.718  -1.733   1.373
  141   HG23  THR  24          HG23      THR  24 -12.310  -0.668   2.646
  142    H    CYS  25           H        CYS  25  -8.124  -1.120  -0.103
  143    HA   CYS  25           HA       CYS  25  -5.482  -0.449   0.730
  144    HB2  CYS  25           HB2      CYS  25  -5.969  -1.399  -1.516
  145    HB3  CYS  25           HB3      CYS  25  -6.861   0.071  -1.912
  146    H    GLN  26           H        GLN  26  -5.009   1.396   1.764
  147    HA   GLN  26           HA       GLN  26  -6.516   3.735   0.994
  148    HB2  GLN  26           HB2      GLN  26  -5.637   2.790   3.694
  149    HB3  GLN  26           HB3      GLN  26  -6.085   4.461   3.398
  150    HG2  GLN  26           HG2      GLN  26  -8.302   3.721   2.636
  151    HG3  GLN  26           HG3      GLN  26  -7.835   2.050   2.927
  152   HE21  GLN  26          HE21      GLN  26  -7.861   1.286   4.977
  153   HE22  GLN  26          HE22      GLN  26  -8.486   2.161   6.317
  154    H    VAL  27           H        VAL  27  -5.351   5.160   0.062
  155    HA   VAL  27           HA       VAL  27  -2.517   5.048  -0.089
  156    HB   VAL  27           HB       VAL  27  -4.412   7.259  -0.970
  157   HG11  VAL  27          HG11      VAL  27  -2.643   7.948  -2.490
  158   HG12  VAL  27          HG12      VAL  27  -1.576   6.725  -1.801
  159   HG13  VAL  27          HG13      VAL  27  -2.139   8.064  -0.804
  160   HG21  VAL  27          HG21      VAL  27  -4.958   5.146  -2.037
  161   HG22  VAL  27          HG22      VAL  27  -3.276   4.955  -2.541
  162   HG23  VAL  27          HG23      VAL  27  -4.248   6.272  -3.195
  163    H    LEU  28           H        LEU  28  -1.189   5.741   1.413
  164    HA   LEU  28           HA       LEU  28  -2.110   7.693   3.407
  165    HB2  LEU  28           HB2      LEU  28   0.400   6.032   3.357
  166    HB3  LEU  28           HB3      LEU  28  -0.130   7.036   4.692
  167    HG   LEU  28           HG       LEU  28  -1.322   4.445   3.723
  168   HD11  LEU  28          HD11      LEU  28   0.663   4.300   5.108
  169   HD12  LEU  28          HD12      LEU  28  -0.759   3.672   5.941
  170   HD13  LEU  28          HD13      LEU  28  -0.127   5.265   6.354
  171   HD21  LEU  28          HD21      LEU  28  -2.355   6.304   5.847
  172   HD22  LEU  28          HD22      LEU  28  -2.928   4.662   5.538
  173   HD23  LEU  28          HD23      LEU  28  -3.156   5.922   4.314
  174    H    ASN  29           H        ASN  29   0.382   7.035   1.064
  175    HA   ASN  29           HA       ASN  29   1.005   9.866   0.863
  176    HB2  ASN  29           HB2      ASN  29   3.065   7.611   0.958
  177    HB3  ASN  29           HB3      ASN  29   3.393   9.291   0.548
  178   HD21  ASN  29          HD21      ASN  29   2.797   7.034   3.100
  179   HD22  ASN  29          HD22      ASN  29   3.179   8.096   4.407
  180    HA   PRO  30           HA       PRO  30   0.412   8.840  -3.372
  181    HB2  PRO  30           HB2      PRO  30   2.826   9.763  -4.531
  182    HB3  PRO  30           HB3      PRO  30   1.263  10.557  -4.547
  183    HG2  PRO  30           HG2      PRO  30   3.571  11.319  -3.101
  184    HG3  PRO  30           HG3      PRO  30   1.968  12.063  -3.004
  185    HD2  PRO  30           HD2      PRO  30   3.344  10.369  -1.119
  186    HD3  PRO  30           HD3      PRO  30   1.828  11.224  -0.870
  187    H    TYR  31           H        TYR  31   3.636   8.041  -2.220
  188    HA   TYR  31           HA       TYR  31   3.661   5.894  -4.174
  189    HB2  TYR  31           HB2      TYR  31   5.826   6.932  -2.353
  190    HB3  TYR  31           HB3      TYR  31   6.027   5.519  -3.373
  191    HD1  TYR  31           HD1      TYR  31   6.837   5.785  -5.536
  192    HD2  TYR  31           HD2      TYR  31   5.124   9.150  -3.589
  193    HE1  TYR  31           HE1      TYR  31   7.512   7.222  -7.415
  194    HE2  TYR  31           HE2      TYR  31   5.800  10.586  -5.457
  195    HH   TYR  31           HH       TYR  31   7.394  10.622  -7.240
  196    H    TYR  32           H        TYR  32   3.277   6.387  -0.729
  197    HA   TYR  32           HA       TYR  32   3.237   3.486  -0.456
  198    HB2  TYR  32           HB2      TYR  32   4.768   4.619   1.116
  199    HB3  TYR  32           HB3      TYR  32   3.394   5.484   1.804
  200    HD1  TYR  32           HD1      TYR  32   2.157   4.507   3.571
  201    HD2  TYR  32           HD2      TYR  32   4.689   2.056   1.175
  202    HE1  TYR  32           HE1      TYR  32   1.737   2.607   5.063
  203    HE2  TYR  32           HE2      TYR  32   4.270   0.156   2.666
  204    HH   TYR  32           HH       TYR  32   3.544  -0.303   4.929
  205    H    SER  33           H        SER  33   1.342   2.589  -0.638
  206    HA   SER  33           HA       SER  33  -0.913   3.878   0.717
  207    HB2  SER  33           HB2      SER  33  -1.034   2.021  -1.703
  208    HB3  SER  33           HB3      SER  33  -2.384   2.870  -0.956
  209    HG   SER  33           HG       SER  33  -1.247   3.775  -2.926
  210    H    GLN  34           H        GLN  34  -1.910   2.563   2.236
  211    HA   GLN  34           HA       GLN  34  -0.591  -0.044   2.598
  212    HB2  GLN  34           HB2      GLN  34  -0.029   1.811   4.226
  213    HB3  GLN  34           HB3      GLN  34  -1.702   1.745   4.754
  214    HG2  GLN  34           HG2      GLN  34  -1.402  -0.551   5.464
  215    HG3  GLN  34           HG3      GLN  34   0.262  -0.529   4.882
  216   HE21  GLN  34          HE21      GLN  34   1.243  -0.880   6.804
  217   HE22  GLN  34          HE22      GLN  34   1.214   0.208   8.131
  218    H    CYS  35           H        CYS  35  -1.925  -1.762   3.034
  219    HA   CYS  35           HA       CYS  35  -4.735  -1.227   2.610
  220    HB2  CYS  35           HB2      CYS  35  -3.527  -3.262   1.546
  221    HB3  CYS  35           HB3      CYS  35  -3.586  -3.947   3.155
  222    H    LEU  36           H        LEU  36  -5.933  -0.738   4.184
  223    HA   LEU  36           HA       LEU  36  -5.423  -1.883   6.819
  224    HB2  LEU  36           HB2      LEU  36  -6.552   0.836   6.130
  225    HB3  LEU  36           HB3      LEU  36  -6.367   0.194   7.747
  226    HG   LEU  36           HG       LEU  36  -4.092   0.759   5.860
  227   HD11  LEU  36          HD11      LEU  36  -5.199   2.820   6.524
  228   HD12  LEU  36          HD12      LEU  36  -3.632   2.676   7.319
  229   HD13  LEU  36          HD13      LEU  36  -5.112   2.343   8.221
  230   HD21  LEU  36          HD21      LEU  36  -2.701   0.500   7.872
  231   HD22  LEU  36          HD22      LEU  36  -3.559  -0.979   7.451
  232   HD23  LEU  36          HD23      LEU  36  -4.133   0.021   8.783
  233    H1   MAN 101           H1       MAN 101   2.077  -8.234   3.492
  234    H2   MAN 101           H2       MAN 101   2.717  -6.075   2.256
  235    H3   MAN 101           H3       MAN 101   1.342  -6.516   0.272
  236    H4   MAN 101           H4       MAN 101   3.445  -8.636  -0.211
  237    H5   MAN 101           H5       MAN 101   0.419  -8.809   0.288
  238    H61  MAN 101           H61      MAN 101   2.489 -10.978  -0.222
  239    H62  MAN 101           H62      MAN 101   1.085 -10.593  -1.253
  240    HO2  MAN 101           HO2      MAN 101   4.336  -7.602   2.787
  241    HO3  MAN 101           HO3      MAN 101   2.896  -5.877  -1.255
  242    HO4  MAN 101           HO4      MAN 101   2.669  -7.453  -2.084
  243    HO6  MAN 101           HO6      MAN 101   0.927 -11.402   1.481
  Start of MODEL    2
    1    H1   THR   1           H1       THR   1  -3.624 -11.931  -3.620
    2    H2   THR   1           H2       THR   1  -2.727 -11.959  -2.200
    3    H3   THR   1           H3       THR   1  -2.169 -11.069  -3.533
    4    HA   THR   1           HA       THR   1  -4.089  -9.621  -3.299
    5    HB   THR   1           HB       THR   1  -5.343  -9.855  -1.109
    6    HG1  THR   1           HG1      THR   1  -5.308 -12.170  -0.378
    7   HG21  THR   1          HG21      THR   1  -6.344 -10.505  -3.268
    8   HG22  THR   1          HG22      THR   1  -6.880 -11.571  -1.971
    9   HG23  THR   1          HG23      THR   1  -5.643 -12.115  -3.103
   10    H    ALA   2           H        ALA   2  -3.958  -7.778  -1.979
   11    HA   ALA   2           HA       ALA   2  -1.402  -7.337  -0.818
   12    HB1  ALA   2           HB1      ALA   2  -2.229  -5.084  -0.383
   13    HB2  ALA   2           HB2      ALA   2  -3.863  -5.577  -0.815
   14    HB3  ALA   2           HB3      ALA   2  -2.594  -5.564  -2.038
   15    H    SER   3           H        SER   3  -0.984  -6.932   1.309
   16    HA   SER   3           HA       SER   3  -2.686  -8.487   3.040
   17    HB2  SER   3           HB2      SER   3  -0.585  -8.548   4.398
   18    HB3  SER   3           HB3      SER   3  -0.460  -9.277   2.786
   19    H    HIS   4           H        HIS   4  -3.126  -7.759   5.136
   20    HA   HIS   4           HA       HIS   4  -3.764  -5.019   5.454
   21    HB2  HIS   4           HB2      HIS   4  -4.841  -7.053   6.608
   22    HB3  HIS   4           HB3      HIS   4  -3.430  -7.085   7.641
   23    HD1  HIS   4           HD1      HIS   4  -4.863  -6.670   9.725
   24    HD2  HIS   4           HD2      HIS   4  -5.183  -3.668   6.884
   25    HE1  HIS   4           HE1      HIS   4  -6.093  -4.793  10.871
   26    HE2  HIS   4           HE2      HIS   4  -6.574  -3.183   9.028
   27    H    TYR   5           H        TYR   5  -2.421  -3.424   5.942
   28    HA   TYR   5           HA       TYR   5  -0.738  -2.186   6.768
   29    HB2  TYR   5           HB2      TYR   5   0.162  -4.666   8.240
   30    HB3  TYR   5           HB3      TYR   5   1.003  -3.128   8.335
   31    HD1  TYR   5           HD1      TYR   5  -1.873  -5.066   9.425
   32    HD2  TYR   5           HD2      TYR   5  -0.044  -1.232   9.475
   33    HE1  TYR   5           HE1      TYR   5  -3.310  -4.411  11.288
   34    HE2  TYR   5           HE2      TYR   5  -1.479  -0.562  11.336
   35    HH   TYR   5           HH       TYR   5  -3.311  -2.809  13.106
   36    H    GLY   6           H        GLY   6  -0.648  -4.188   4.451
   37    HA2  GLY   6           HA2      GLY   6   2.222  -3.919   3.901
   38    HA3  GLY   6           HA3      GLY   6   1.084  -5.018   3.112
   39    H    GLN   7           H        GLN   7   2.685  -3.432   1.550
   40    HA   GLN   7           HA       GLN   7   1.231  -1.046   0.827
   41    HB2  GLN   7           HB2      GLN   7   3.718  -1.194   0.533
   42    HB3  GLN   7           HB3      GLN   7   3.463  -2.445  -0.679
   43    HG2  GLN   7           HG2      GLN   7   2.356  -0.898  -2.132
   44    HG3  GLN   7           HG3      GLN   7   2.428   0.393  -0.945
   45   HE21  GLN   7          HE21      GLN   7   3.702   1.797  -2.298
   46   HE22  GLN   7          HE22      GLN   7   5.310   1.414  -2.683
   47    H    CYS   8           H        CYS   8  -0.435  -0.992  -0.420
   48    HA   CYS   8           HA       CYS   8  -1.210  -3.430  -1.882
   49    HB2  CYS   8           HB2      CYS   8  -3.466  -2.364  -1.820
   50    HB3  CYS   8           HB3      CYS   8  -2.789  -2.845  -0.262
   51    H    GLY   9           H        GLY   9  -0.775   0.048  -2.364
   52    HA2  GLY   9           HA2      GLY   9  -0.659  -0.340  -5.196
   53    HA3  GLY   9           HA3      GLY   9  -2.230   0.256  -4.666
   54    H    GLY  10           H        GLY  10   1.165   0.935  -4.199
   55    HA2  GLY  10           HA2      GLY  10   0.437   3.776  -4.240
   56    HA3  GLY  10           HA3      GLY  10   1.916   3.126  -3.521
   57    H    ILE  11           H        ILE  11   2.040   5.152  -5.391
   58    HA   ILE  11           HA       ILE  11   2.504   4.218  -8.002
   59    HB   ILE  11           HB       ILE  11   3.877   6.542  -6.586
   60   HG12  ILE  11          HG12      ILE  11   1.375   6.559  -8.299
   61   HG13  ILE  11          HG13      ILE  11   1.388   6.676  -6.544
   62   HG21  ILE  11          HG21      ILE  11   3.489   5.982  -9.533
   63   HG22  ILE  11          HG22      ILE  11   5.011   5.872  -8.648
   64   HG23  ILE  11          HG23      ILE  11   4.218   7.435  -8.845
   65   HD11  ILE  11          HD11      ILE  11   2.617   8.785  -6.705
   66   HD12  ILE  11          HD12      ILE  11   1.083   8.849  -7.572
   67   HD13  ILE  11          HD13      ILE  11   2.592   8.657  -8.464
   68    H    GLY  12           H        GLY  12   4.102   3.011  -8.788
   69    HA2  GLY  12           HA2      GLY  12   6.394   2.384  -8.952
   70    HA3  GLY  12           HA3      GLY  12   6.595   2.812  -7.257
   71    H    TYR  13           H        TYR  13   3.823   1.312  -7.037
   72    HA   TYR  13           HA       TYR  13   5.092  -1.283  -6.564
   73    HB2  TYR  13           HB2      TYR  13   3.965  -0.182  -4.647
   74    HB3  TYR  13           HB3      TYR  13   2.457  -0.187  -5.550
   75    HD1  TYR  13           HD1      TYR  13   1.008  -2.041  -5.400
   76    HD2  TYR  13           HD2      TYR  13   5.029  -2.433  -4.082
   77    HE1  TYR  13           HE1      TYR  13   0.483  -4.244  -4.448
   78    HE2  TYR  13           HE2      TYR  13   4.512  -4.634  -3.126
   79    HH   TYR  13           HH       TYR  13   2.436  -5.850  -2.277
   80    H    SER  14           H        SER  14   4.613  -2.962  -7.888
   81    HA   SER  14           HA       SER  14   2.252  -2.691  -9.611
   82    HB2  SER  14           HB2      SER  14   3.611  -4.064 -11.247
   83    HB3  SER  14           HB3      SER  14   4.203  -2.429 -10.949
   84    HG   SER  14           HG       SER  14   5.902  -3.182  -9.977
   85    H    GLY  15           H        GLY  15   2.882  -4.125  -6.955
   86    HA2  GLY  15           HA2      GLY  15   2.566  -6.943  -7.540
   87    HA3  GLY  15           HA3      GLY  15   2.588  -6.167  -5.961
   88    HA   PRO  16           HA       PRO  16  -1.777  -7.687  -6.395
   89    HB2  PRO  16           HB2      PRO  16  -1.856  -7.778  -3.621
   90    HB3  PRO  16           HB3      PRO  16  -1.583  -9.152  -4.688
   91    HG2  PRO  16           HG2      PRO  16   0.414  -7.431  -3.254
   92    HG3  PRO  16           HG3      PRO  16   0.436  -9.197  -3.489
   93    HD2  PRO  16           HD2      PRO  16   1.983  -7.621  -4.878
   94    HD3  PRO  16           HD3      PRO  16   1.149  -8.957  -5.689
   95    H    THR  17           H        THR  17  -2.766  -5.746  -6.957
   96    HA   THR  17           HA       THR  17  -2.805  -3.607  -5.033
   97    HB   THR  17           HB       THR  17  -4.387  -2.612  -6.872
   98    HG1  THR  17           HG1      THR  17  -3.122  -4.008  -8.788
   99   HG21  THR  17          HG21      THR  17  -1.464  -3.162  -7.444
  100   HG22  THR  17          HG22      THR  17  -2.085  -1.839  -6.461
  101   HG23  THR  17          HG23      THR  17  -2.432  -1.892  -8.191
  102    H    VAL  18           H        VAL  18  -4.585  -6.345  -5.718
  103    HA   VAL  18           HA       VAL  18  -7.090  -5.388  -4.586
  104    HB   VAL  18           HB       VAL  18  -6.249  -8.151  -5.535
  105   HG11  VAL  18          HG11      VAL  18  -8.966  -7.214  -4.606
  106   HG12  VAL  18          HG12      VAL  18  -7.911  -8.342  -3.759
  107   HG13  VAL  18          HG13      VAL  18  -8.606  -8.788  -5.319
  108   HG21  VAL  18          HG21      VAL  18  -6.498  -6.545  -7.330
  109   HG22  VAL  18          HG22      VAL  18  -8.106  -6.114  -6.749
  110   HG23  VAL  18          HG23      VAL  18  -7.800  -7.732  -7.376
  111    H    CYS  19           H        CYS  19  -7.445  -5.433  -2.481
  112    HA   CYS  19           HA       CYS  19  -5.536  -6.637  -0.698
  113    HB2  CYS  19           HB2      CYS  19  -8.018  -5.004  -0.276
  114    HB3  CYS  19           HB3      CYS  19  -7.165  -5.767   1.058
  115    H    ALA  20           H        ALA  20  -6.484  -7.756   1.296
  116    HA   ALA  20           HA       ALA  20  -7.866 -10.120   0.453
  117    HB1  ALA  20           HB1      ALA  20  -6.961  -9.193   3.196
  118    HB2  ALA  20           HB2      ALA  20  -6.007 -10.169   2.093
  119    HB3  ALA  20           HB3      ALA  20  -7.495 -10.824   2.781
  120    H    SER  21           H        SER  21  -9.853 -10.817   1.739
  121    HA   SER  21           HA       SER  21 -11.839  -8.838   1.542
  122    HB2  SER  21           HB2      SER  21 -11.929 -11.507   2.963
  123    HB3  SER  21           HB3      SER  21 -13.320 -10.548   2.457
  124    HG   SER  21           HG       SER  21 -12.269 -10.662   0.314
  125    H    GLY  22           H        GLY  22 -12.334  -7.285   2.924
  126    HA2  GLY  22           HA2      GLY  22 -13.020  -6.552   5.068
  127    HA3  GLY  22           HA3      GLY  22 -11.974  -7.766   5.789
  128    H    THR  23           H        THR  23 -10.345  -6.299   3.282
  129    HA   THR  23           HA       THR  23  -9.271  -4.189   5.013
  130    HB   THR  23           HB       THR  23  -6.969  -4.669   4.024
  131    HG1  THR  23           HG1      THR  23  -8.424  -6.679   2.778
  132   HG21  THR  23          HG21      THR  23  -6.499  -6.651   5.418
  133   HG22  THR  23          HG22      THR  23  -8.235  -6.873   5.657
  134   HG23  THR  23          HG23      THR  23  -7.433  -5.429   6.269
  135    H    THR  24           H        THR  24  -8.455  -2.297   3.863
  136    HA   THR  24           HA       THR  24  -9.254  -2.212   1.053
  137    HB   THR  24           HB       THR  24 -10.043   0.197   1.550
  138    HG1  THR  24           HG1      THR  24  -9.269  -0.417   3.996
  139   HG21  THR  24          HG21      THR  24 -11.589  -1.607   0.934
  140   HG22  THR  24          HG22      THR  24 -12.307  -0.560   2.160
  141   HG23  THR  24          HG23      THR  24 -11.652  -2.130   2.617
  142    H    CYS  25           H        CYS  25  -7.932  -1.023  -0.276
  143    HA   CYS  25           HA       CYS  25  -5.329  -0.411   0.727
  144    HB2  CYS  25           HB2      CYS  25  -5.800  -1.277  -1.588
  145    HB3  CYS  25           HB3      CYS  25  -6.511   0.297  -1.952
  146    H    GLN  26           H        GLN  26  -4.939   1.368   1.917
  147    HA   GLN  26           HA       GLN  26  -6.437   3.724   1.214
  148    HB2  GLN  26           HB2      GLN  26  -5.150   2.898   3.798
  149    HB3  GLN  26           HB3      GLN  26  -5.956   4.442   3.532
  150    HG2  GLN  26           HG2      GLN  26  -8.034   3.124   2.971
  151    HG3  GLN  26           HG3      GLN  26  -7.173   1.691   3.516
  152   HE21  GLN  26          HE21      GLN  26  -8.566   1.281   5.171
  153   HE22  GLN  26          HE22      GLN  26  -8.705   2.250   6.574
  154    H    VAL  27           H        VAL  27  -5.400   5.509   0.679
  155    HA   VAL  27           HA       VAL  27  -2.599   5.274   0.032
  156    HB   VAL  27           HB       VAL  27  -4.583   7.510  -0.512
  157   HG11  VAL  27          HG11      VAL  27  -2.295   8.355  -0.428
  158   HG12  VAL  27          HG12      VAL  27  -2.915   8.385  -2.079
  159   HG13  VAL  27          HG13      VAL  27  -1.787   7.125  -1.580
  160   HG21  VAL  27          HG21      VAL  27  -4.543   6.697  -2.820
  161   HG22  VAL  27          HG22      VAL  27  -5.115   5.444  -1.710
  162   HG23  VAL  27          HG23      VAL  27  -3.464   5.391  -2.338
  163    H    LEU  28           H        LEU  28  -1.295   5.587   1.672
  164    HA   LEU  28           HA       LEU  28  -1.862   7.561   3.741
  165    HB2  LEU  28           HB2      LEU  28   0.570   5.822   3.332
  166    HB3  LEU  28           HB3      LEU  28   0.214   6.761   4.764
  167    HG   LEU  28           HG       LEU  28  -1.284   4.324   3.797
  168   HD11  LEU  28          HD11      LEU  28   0.874   3.845   4.738
  169   HD12  LEU  28          HD12      LEU  28  -0.408   3.316   5.833
  170   HD13  LEU  28          HD13      LEU  28   0.493   4.795   6.175
  171   HD21  LEU  28          HD21      LEU  28  -2.812   5.878   4.887
  172   HD22  LEU  28          HD22      LEU  28  -1.677   5.998   6.246
  173   HD23  LEU  28          HD23      LEU  28  -2.470   4.462   5.895
  174    H    ASN  29           H        ASN  29   0.271   6.971   1.051
  175    HA   ASN  29           HA       ASN  29   1.083   9.739   0.937
  176    HB2  ASN  29           HB2      ASN  29   3.020   7.375   0.970
  177    HB3  ASN  29           HB3      ASN  29   3.443   9.027   0.563
  178   HD21  ASN  29          HD21      ASN  29   2.761   6.808   3.130
  179   HD22  ASN  29          HD22      ASN  29   3.212   7.864   4.417
  180    HA   PRO  30           HA       PRO  30   0.402   8.810  -3.326
  181    HB2  PRO  30           HB2      PRO  30   2.857   9.606  -4.498
  182    HB3  PRO  30           HB3      PRO  30   1.342  10.493  -4.488
  183    HG2  PRO  30           HG2      PRO  30   3.697  11.136  -3.062
  184    HG3  PRO  30           HG3      PRO  30   2.118  11.916  -2.912
  185    HD2  PRO  30           HD2      PRO  30   3.468  10.110  -1.104
  186    HD3  PRO  30           HD3      PRO  30   2.008  11.065  -0.820
  187    H    TYR  31           H        TYR  31   3.707   7.931  -2.431
  188    HA   TYR  31           HA       TYR  31   3.593   5.784  -4.382
  189    HB2  TYR  31           HB2      TYR  31   5.810   6.746  -2.576
  190    HB3  TYR  31           HB3      TYR  31   5.963   5.361  -3.646
  191    HD1  TYR  31           HD1      TYR  31   6.862   5.706  -5.744
  192    HD2  TYR  31           HD2      TYR  31   5.054   8.991  -3.753
  193    HE1  TYR  31           HE1      TYR  31   7.577   7.192  -7.556
  194    HE2  TYR  31           HE2      TYR  31   5.766  10.485  -5.561
  195    HH   TYR  31           HH       TYR  31   7.475  10.559  -7.291
  196    H    TYR  32           H        TYR  32   3.333   6.282  -0.946
  197    HA   TYR  32           HA       TYR  32   3.320   3.378  -0.634
  198    HB2  TYR  32           HB2      TYR  32   4.866   4.695   0.823
  199    HB3  TYR  32           HB3      TYR  32   3.451   5.425   1.568
  200    HD1  TYR  32           HD1      TYR  32   5.071   2.154   0.921
  201    HD2  TYR  32           HD2      TYR  32   2.391   4.363   3.363
  202    HE1  TYR  32           HE1      TYR  32   4.990   0.282   2.503
  203    HE2  TYR  32           HE2      TYR  32   2.279   2.509   4.950
  204    HH   TYR  32           HH       TYR  32   2.779   0.215   5.191
  205    H    SER  33           H        SER  33   1.400   2.518  -0.817
  206    HA   SER  33           HA       SER  33  -0.813   3.781   0.617
  207    HB2  SER  33           HB2      SER  33  -1.039   1.973  -1.836
  208    HB3  SER  33           HB3      SER  33  -2.340   2.829  -1.023
  209    HG   SER  33           HG       SER  33  -1.382   3.736  -3.012
  210    H    GLN  34           H        GLN  34  -1.744   2.440   2.116
  211    HA   GLN  34           HA       GLN  34  -0.544  -0.222   2.301
  212    HB2  GLN  34           HB2      GLN  34   0.442   1.362   3.919
  213    HB3  GLN  34           HB3      GLN  34  -1.163   1.683   4.551
  214    HG2  GLN  34           HG2      GLN  34  -1.362  -0.573   5.328
  215    HG3  GLN  34           HG3      GLN  34   0.173  -1.005   4.578
  216   HE21  GLN  34          HE21      GLN  34  -1.354   0.544   7.214
  217   HE22  GLN  34          HE22      GLN  34   0.079   0.850   8.133
  218    H    CYS  35           H        CYS  35  -1.907  -1.824   2.834
  219    HA   CYS  35           HA       CYS  35  -4.687  -1.176   2.525
  220    HB2  CYS  35           HB2      CYS  35  -3.533  -3.260   1.525
  221    HB3  CYS  35           HB3      CYS  35  -3.634  -3.908   3.153
  222    H    LEU  36           H        LEU  36  -5.921  -0.661   4.057
  223    HA   LEU  36           HA       LEU  36  -5.496  -1.717   6.716
  224    HB2  LEU  36           HB2      LEU  36  -6.283   1.080   5.901
  225    HB3  LEU  36           HB3      LEU  36  -6.401   0.466   7.537
  226    HG   LEU  36           HG       LEU  36  -3.807   0.705   5.999
  227   HD11  LEU  36          HD11      LEU  36  -4.993   2.504   8.107
  228   HD12  LEU  36          HD12      LEU  36  -4.752   2.907   6.408
  229   HD13  LEU  36          HD13      LEU  36  -3.361   2.623   7.455
  230   HD21  LEU  36          HD21      LEU  36  -3.717  -1.005   7.710
  231   HD22  LEU  36          HD22      LEU  36  -4.443   0.090   8.882
  232   HD23  LEU  36          HD23      LEU  36  -2.827   0.413   8.273
  233    H1   MAN 101           H1       MAN 101   1.891  -8.561   3.962
  234    H2   MAN 101           H2       MAN 101   2.666  -6.192   3.709
  235    H3   MAN 101           H3       MAN 101   1.739  -5.825   1.425
  236    H4   MAN 101           H4       MAN 101   3.925  -7.773   0.707
  237    H5   MAN 101           H5       MAN 101   0.870  -7.860   0.485
  238    H61  MAN 101           H61      MAN 101   2.983  -9.887  -0.362
  239    H62  MAN 101           H62      MAN 101   1.886  -9.017  -1.453
  240    HO2  MAN 101           HO2      MAN 101   4.148  -7.959   3.895
  241    HO3  MAN 101           HO3      MAN 101   4.588  -5.682   1.564
  242    HO4  MAN 101           HO4      MAN 101   3.672  -5.982  -0.630
  243    HO6  MAN 101           HO6      MAN 101   0.113 -10.135  -0.531
  Start of MODEL    3
    1    H1   THR   1           H1       THR   1  -1.865 -11.891  -2.062
    2    H2   THR   1           H2       THR   1  -1.513 -10.999  -3.448
    3    H3   THR   1           H3       THR   1  -2.741 -12.193  -3.462
    4    HA   THR   1           HA       THR   1  -3.699  -9.946  -3.266
    5    HB   THR   1           HB       THR   1  -3.969 -11.422  -0.671
    6    HG1  THR   1           HG1      THR   1  -5.358 -12.258  -3.009
    7   HG21  THR   1          HG21      THR   1  -5.988 -10.189  -2.552
    8   HG22  THR   1          HG22      THR   1  -5.415  -9.494  -1.036
    9   HG23  THR   1          HG23      THR   1  -6.367 -10.978  -1.022
   10    H    ALA   2           H        ALA   2  -3.860  -8.085  -1.928
   11    HA   ALA   2           HA       ALA   2  -1.379  -7.430  -0.625
   12    HB1  ALA   2           HB1      ALA   2  -2.494  -5.752  -2.028
   13    HB2  ALA   2           HB2      ALA   2  -2.336  -5.192  -0.365
   14    HB3  ALA   2           HB3      ALA   2  -3.891  -5.765  -0.954
   15    H    SER   3           H        SER   3  -0.999  -7.564   1.446
   16    HA   SER   3           HA       SER   3  -3.001  -8.755   3.123
   17    HB2  SER   3           HB2      SER   3  -1.100  -9.111   4.581
   18    HB3  SER   3           HB3      SER   3  -0.704  -9.592   2.925
   19    H    HIS   4           H        HIS   4  -3.097  -7.970   5.383
   20    HA   HIS   4           HA       HIS   4  -3.822  -5.225   5.481
   21    HB2  HIS   4           HB2      HIS   4  -4.887  -7.154   6.763
   22    HB3  HIS   4           HB3      HIS   4  -3.474  -7.170   7.790
   23    HD1  HIS   4           HD1      HIS   4  -5.071  -6.588   9.824
   24    HD2  HIS   4           HD2      HIS   4  -4.902  -3.716   6.844
   25    HE1  HIS   4           HE1      HIS   4  -6.208  -4.591  10.769
   26    HE2  HIS   4           HE2      HIS   4  -6.498  -3.132   8.767
   27    H    TYR   5           H        TYR   5  -2.496  -3.578   5.882
   28    HA   TYR   5           HA       TYR   5  -0.836  -2.319   6.559
   29    HB2  TYR   5           HB2      TYR   5  -0.133  -4.635   8.353
   30    HB3  TYR   5           HB3      TYR   5   0.950  -3.257   8.219
   31    HD1  TYR   5           HD1      TYR   5   0.491  -1.232   9.327
   32    HD2  TYR   5           HD2      TYR   5  -2.497  -4.248   9.212
   33    HE1  TYR   5           HE1      TYR   5  -0.840   0.031  10.959
   34    HE2  TYR   5           HE2      TYR   5  -3.836  -2.982  10.847
   35    HH   TYR   5           HH       TYR   5  -3.104   0.262  11.608
   36    H    GLY   6           H        GLY   6  -0.696  -4.461   4.396
   37    HA2  GLY   6           HA2      GLY   6   2.154  -4.153   3.796
   38    HA3  GLY   6           HA3      GLY   6   1.007  -5.196   2.949
   39    H    GLN   7           H        GLN   7   2.708  -3.345   1.615
   40    HA   GLN   7           HA       GLN   7   1.136  -1.057   0.917
   41    HB2  GLN   7           HB2      GLN   7   3.608  -0.991   0.674
   42    HB3  GLN   7           HB3      GLN   7   3.510  -2.285  -0.515
   43    HG2  GLN   7           HG2      GLN   7   2.364  -0.873  -2.075
   44    HG3  GLN   7           HG3      GLN   7   2.220   0.423  -0.907
   45   HE21  GLN   7          HE21      GLN   7   3.397   1.926  -2.275
   46   HE22  GLN   7          HE22      GLN   7   5.063   1.735  -2.521
   47    H    CYS   8           H        CYS   8  -0.482  -1.030  -0.367
   48    HA   CYS   8           HA       CYS   8  -1.121  -3.464  -1.865
   49    HB2  CYS   8           HB2      CYS   8  -3.433  -2.466  -1.829
   50    HB3  CYS   8           HB3      CYS   8  -2.751  -2.951  -0.278
   51    H    GLY   9           H        GLY   9  -1.005   0.067  -2.282
   52    HA2  GLY   9           HA2      GLY   9  -0.902  -0.313  -5.148
   53    HA3  GLY   9           HA3      GLY   9  -2.432   0.308  -4.537
   54    H    GLY  10           H        GLY  10   0.988   0.914  -4.238
   55    HA2  GLY  10           HA2      GLY  10   0.334   3.775  -4.239
   56    HA3  GLY  10           HA3      GLY  10   1.840   3.075  -3.627
   57    H    ILE  11           H        ILE  11   1.749   5.116  -5.542
   58    HA   ILE  11           HA       ILE  11   1.930   4.134  -8.164
   59    HB   ILE  11           HB       ILE  11   3.336   6.567  -6.991
   60   HG12  ILE  11          HG12      ILE  11   0.591   6.342  -8.272
   61   HG13  ILE  11          HG13      ILE  11   0.911   6.602  -6.569
   62   HG21  ILE  11          HG21      ILE  11   4.206   5.923  -9.187
   63   HG22  ILE  11          HG22      ILE  11   3.288   7.424  -9.301
   64   HG23  ILE  11          HG23      ILE  11   2.569   5.909  -9.846
   65   HD11  ILE  11          HD11      ILE  11   1.934   8.760  -7.072
   66   HD12  ILE  11          HD12      ILE  11   0.275   8.673  -7.663
   67   HD13  ILE  11          HD13      ILE  11   1.624   8.506  -8.790
   68    H    GLY  12           H        GLY  12   3.422   2.886  -9.048
   69    HA2  GLY  12           HA2      GLY  12   5.700   2.399  -9.581
   70    HA3  GLY  12           HA3      GLY  12   6.148   2.919  -7.958
   71    H    TYR  13           H        TYR  13   3.592   1.328  -7.164
   72    HA   TYR  13           HA       TYR  13   5.065  -1.138  -6.710
   73    HB2  TYR  13           HB2      TYR  13   3.974   0.003  -4.783
   74    HB3  TYR  13           HB3      TYR  13   2.414  -0.222  -5.561
   75    HD1  TYR  13           HD1      TYR  13   1.220  -2.255  -5.301
   76    HD2  TYR  13           HD2      TYR  13   5.283  -2.015  -4.077
   77    HE1  TYR  13           HE1      TYR  13   1.014  -4.446  -4.223
   78    HE2  TYR  13           HE2      TYR  13   5.101  -4.207  -2.989
   79    HH   TYR  13           HH       TYR  13   3.220  -5.611  -2.010
   80    H    SER  14           H        SER  14   4.796  -2.767  -8.072
   81    HA   SER  14           HA       SER  14   2.297  -2.899  -9.586
   82    HB2  SER  14           HB2      SER  14   3.826  -4.257 -11.177
   83    HB3  SER  14           HB3      SER  14   4.009  -2.502 -11.120
   84    HG   SER  14           HG       SER  14   5.944  -2.804 -10.534
   85    H    GLY  15           H        GLY  15   3.032  -4.064  -6.933
   86    HA2  GLY  15           HA2      GLY  15   3.038  -6.959  -7.313
   87    HA3  GLY  15           HA3      GLY  15   2.953  -6.064  -5.803
   88    HA   PRO  16           HA       PRO  16  -1.288  -7.850  -6.209
   89    HB2  PRO  16           HB2      PRO  16  -1.461  -8.050  -3.477
   90    HB3  PRO  16           HB3      PRO  16  -0.834  -9.337  -4.514
   91    HG2  PRO  16           HG2      PRO  16   0.710  -7.183  -3.075
   92    HG3  PRO  16           HG3      PRO  16   0.995  -8.945  -3.063
   93    HD2  PRO  16           HD2      PRO  16   2.433  -7.414  -4.585
   94    HD3  PRO  16           HD3      PRO  16   1.736  -8.892  -5.275
   95    H    THR  17           H        THR  17  -2.550  -6.084  -6.674
   96    HA   THR  17           HA       THR  17  -2.461  -3.810  -4.863
   97    HB   THR  17           HB       THR  17  -3.817  -2.667  -6.614
   98    HG1  THR  17           HG1      THR  17  -3.312  -4.521  -8.567
   99   HG21  THR  17          HG21      THR  17  -1.283  -3.988  -7.609
  100   HG22  THR  17          HG22      THR  17  -1.365  -2.516  -6.649
  101   HG23  THR  17          HG23      THR  17  -2.012  -2.535  -8.294
  102    H    VAL  18           H        VAL  18  -4.333  -6.498  -5.644
  103    HA   VAL  18           HA       VAL  18  -6.855  -5.485  -4.684
  104    HB   VAL  18           HB       VAL  18  -6.007  -8.319  -5.360
  105   HG11  VAL  18          HG11      VAL  18  -8.400  -8.802  -5.536
  106   HG12  VAL  18          HG12      VAL  18  -8.767  -7.154  -5.031
  107   HG13  VAL  18          HG13      VAL  18  -7.973  -8.259  -3.909
  108   HG21  VAL  18          HG21      VAL  18  -7.191  -7.958  -7.484
  109   HG22  VAL  18          HG22      VAL  18  -5.807  -6.879  -7.295
  110   HG23  VAL  18          HG23      VAL  18  -7.439  -6.269  -7.039
  111    H    CYS  19           H        CYS  19  -7.232  -5.304  -2.579
  112    HA   CYS  19           HA       CYS  19  -5.621  -6.613  -0.600
  113    HB2  CYS  19           HB2      CYS  19  -8.023  -4.806  -0.433
  114    HB3  CYS  19           HB3      CYS  19  -7.298  -5.574   0.976
  115    H    ALA  20           H        ALA  20  -6.548  -7.812   1.173
  116    HA   ALA  20           HA       ALA  20  -8.201  -9.966   0.289
  117    HB1  ALA  20           HB1      ALA  20  -6.366 -10.331   1.865
  118    HB2  ALA  20           HB2      ALA  20  -7.897 -10.754   2.638
  119    HB3  ALA  20           HB3      ALA  20  -7.106  -9.222   3.014
  120    H    SER  21           H        SER  21 -10.301 -10.478   1.317
  121    HA   SER  21           HA       SER  21 -11.991  -8.257   1.263
  122    HB2  SER  21           HB2      SER  21 -12.513 -11.039   2.313
  123    HB3  SER  21           HB3      SER  21 -13.747  -9.854   1.875
  124    HG   SER  21           HG       SER  21 -12.320  -9.892  -0.194
  125    H    GLY  22           H        GLY  22 -12.426  -6.811   2.713
  126    HA2  GLY  22           HA2      GLY  22 -13.177  -6.255   4.948
  127    HA3  GLY  22           HA3      GLY  22 -12.034  -7.448   5.558
  128    H    THR  23           H        THR  23 -10.097  -6.425   3.442
  129    HA   THR  23           HA       THR  23  -9.261  -4.123   5.025
  130    HB   THR  23           HB       THR  23  -6.939  -4.592   4.095
  131    HG1  THR  23           HG1      THR  23  -8.338  -6.533   2.738
  132   HG21  THR  23          HG21      THR  23  -8.229  -6.785   5.721
  133   HG22  THR  23          HG22      THR  23  -7.565  -5.281   6.353
  134   HG23  THR  23          HG23      THR  23  -6.498  -6.473   5.612
  135    H    THR  24           H        THR  24  -8.459  -2.239   3.976
  136    HA   THR  24           HA       THR  24  -9.347  -2.002   1.195
  137    HB   THR  24           HB       THR  24 -10.008   0.378   1.817
  138    HG1  THR  24           HG1      THR  24  -9.188  -0.539   4.287
  139   HG21  THR  24          HG21      THR  24 -12.198  -0.275   2.736
  140   HG22  THR  24          HG22      THR  24 -11.557  -1.875   3.111
  141   HG23  THR  24          HG23      THR  24 -11.699  -1.352   1.432
  142    H    CYS  25           H        CYS  25  -7.957  -1.000  -0.124
  143    HA   CYS  25           HA       CYS  25  -5.313  -0.426   0.792
  144    HB2  CYS  25           HB2      CYS  25  -5.870  -1.342  -1.486
  145    HB3  CYS  25           HB3      CYS  25  -6.552   0.236  -1.882
  146    H    GLN  26           H        GLN  26  -4.826   1.428   1.898
  147    HA   GLN  26           HA       GLN  26  -6.309   3.778   1.113
  148    HB2  GLN  26           HB2      GLN  26  -5.226   2.943   3.779
  149    HB3  GLN  26           HB3      GLN  26  -5.903   4.531   3.441
  150    HG2  GLN  26           HG2      GLN  26  -8.046   3.445   2.840
  151    HG3  GLN  26           HG3      GLN  26  -7.337   1.883   3.239
  152   HE21  GLN  26          HE21      GLN  26  -8.845   1.475   4.806
  153   HE22  GLN  26          HE22      GLN  26  -8.824   2.283   6.335
  154    H    VAL  27           H        VAL  27  -5.212   5.498   0.571
  155    HA   VAL  27           HA       VAL  27  -2.411   5.310   0.046
  156    HB   VAL  27           HB       VAL  27  -4.390   7.591  -0.298
  157   HG11  VAL  27          HG11      VAL  27  -2.126   8.486  -0.090
  158   HG12  VAL  27          HG12      VAL  27  -2.717   8.648  -1.744
  159   HG13  VAL  27          HG13      VAL  27  -1.564   7.376  -1.339
  160   HG21  VAL  27          HG21      VAL  27  -4.302   7.013  -2.667
  161   HG22  VAL  27          HG22      VAL  27  -4.829   5.639  -1.685
  162   HG23  VAL  27          HG23      VAL  27  -3.184   5.698  -2.304
  163    H    LEU  28           H        LEU  28  -0.921   5.689   1.538
  164    HA   LEU  28           HA       LEU  28  -1.582   7.419   3.794
  165    HB2  LEU  28           HB2      LEU  28   0.924   5.815   3.297
  166    HB3  LEU  28           HB3      LEU  28   0.514   6.648   4.784
  167    HG   LEU  28           HG       LEU  28  -0.682   4.131   3.654
  168   HD11  LEU  28          HD11      LEU  28   0.037   3.188   5.772
  169   HD12  LEU  28          HD12      LEU  28   0.664   4.761   6.258
  170   HD13  LEU  28          HD13      LEU  28   1.385   3.911   4.895
  171   HD21  LEU  28          HD21      LEU  28  -2.531   5.462   4.500
  172   HD22  LEU  28          HD22      LEU  28  -1.655   5.735   6.008
  173   HD23  LEU  28          HD23      LEU  28  -2.193   4.109   5.583
  174    H    ASN  29           H        ASN  29   0.800   6.959   1.283
  175    HA   ASN  29           HA       ASN  29   1.246   9.843   1.152
  176    HB2  ASN  29           HB2      ASN  29   3.378   7.671   0.872
  177    HB3  ASN  29           HB3      ASN  29   3.615   9.387   0.566
  178   HD21  ASN  29          HD21      ASN  29   5.101   7.710   2.323
  179   HD22  ASN  29          HD22      ASN  29   4.911   8.365   3.904
  180    HA   PRO  30           HA       PRO  30   0.253   9.153  -3.069
  181    HB2  PRO  30           HB2      PRO  30   2.539  10.026  -4.480
  182    HB3  PRO  30           HB3      PRO  30   1.049  10.914  -4.204
  183    HG2  PRO  30           HG2      PRO  30   3.615  11.354  -3.018
  184    HG3  PRO  30           HG3      PRO  30   2.127  12.269  -2.765
  185    HD2  PRO  30           HD2      PRO  30   3.440  10.452  -1.007
  186    HD3  PRO  30           HD3      PRO  30   1.965  11.357  -0.677
  187    H    TYR  31           H        TYR  31   3.536   8.056  -2.351
  188    HA   TYR  31           HA       TYR  31   3.162   6.050  -4.422
  189    HB2  TYR  31           HB2      TYR  31   5.696   6.811  -2.928
  190    HB3  TYR  31           HB3      TYR  31   5.574   5.550  -4.133
  191    HD1  TYR  31           HD1      TYR  31   5.695   6.020  -6.411
  192    HD2  TYR  31           HD2      TYR  31   5.242   9.227  -3.667
  193    HE1  TYR  31           HE1      TYR  31   6.105   7.612  -8.216
  194    HE2  TYR  31           HE2      TYR  31   5.656  10.836  -5.480
  195    HH   TYR  31           HH       TYR  31   5.655   9.929  -8.774
  196    H    TYR  32           H        TYR  32   3.257   6.400  -0.976
  197    HA   TYR  32           HA       TYR  32   3.268   3.475  -0.801
  198    HB2  TYR  32           HB2      TYR  32   4.919   4.702   0.626
  199    HB3  TYR  32           HB3      TYR  32   3.564   5.401   1.509
  200    HD1  TYR  32           HD1      TYR  32   5.252   2.223   0.660
  201    HD2  TYR  32           HD2      TYR  32   2.470   4.159   3.213
  202    HE1  TYR  32           HE1      TYR  32   5.205   0.239   2.083
  203    HE2  TYR  32           HE2      TYR  32   2.409   2.163   4.668
  204    HH   TYR  32           HH       TYR  32   4.695  -0.289   4.437
  205    H    SER  33           H        SER  33   1.362   2.584  -0.857
  206    HA   SER  33           HA       SER  33  -0.802   3.794   0.706
  207    HB2  SER  33           HB2      SER  33  -1.109   2.020  -1.765
  208    HB3  SER  33           HB3      SER  33  -2.389   2.832  -0.878
  209    HG   SER  33           HG       SER  33  -1.459   3.790  -2.899
  210    H    GLN  34           H        GLN  34  -1.710   2.443   2.183
  211    HA   GLN  34           HA       GLN  34  -0.540  -0.238   2.353
  212    HB2  GLN  34           HB2      GLN  34   0.495   1.289   3.967
  213    HB3  GLN  34           HB3      GLN  34  -1.092   1.722   4.579
  214    HG2  GLN  34           HG2      GLN  34  -1.406  -0.500   5.431
  215    HG3  GLN  34           HG3      GLN  34   0.110  -1.027   4.707
  216   HE21  GLN  34          HE21      GLN  34   2.057  -0.376   5.641
  217   HE22  GLN  34          HE22      GLN  34   2.138   0.229   7.243
  218    H    CYS  35           H        CYS  35  -1.934  -1.842   2.918
  219    HA   CYS  35           HA       CYS  35  -4.716  -1.145   2.610
  220    HB2  CYS  35           HB2      CYS  35  -3.595  -3.156   1.490
  221    HB3  CYS  35           HB3      CYS  35  -3.650  -3.917   3.072
  222    H    LEU  36           H        LEU  36  -6.051  -0.833   4.186
  223    HA   LEU  36           HA       LEU  36  -5.379  -1.800   6.851
  224    HB2  LEU  36           HB2      LEU  36  -6.623   0.837   6.071
  225    HB3  LEU  36           HB3      LEU  36  -6.385   0.270   7.712
  226    HG   LEU  36           HG       LEU  36  -4.165   0.850   5.751
  227   HD11  LEU  36          HD11      LEU  36  -5.128   2.445   8.122
  228   HD12  LEU  36          HD12      LEU  36  -5.285   2.895   6.426
  229   HD13  LEU  36          HD13      LEU  36  -3.690   2.790   7.165
  230   HD21  LEU  36          HD21      LEU  36  -2.698   0.630   7.714
  231   HD22  LEU  36          HD22      LEU  36  -3.538  -0.870   7.347
  232   HD23  LEU  36          HD23      LEU  36  -4.084   0.139   8.686
  233    H1   MAN 101           H1       MAN 101   1.403  -9.327   4.209
  234    H2   MAN 101           H2       MAN 101   2.477  -6.628   3.353
  235    H3   MAN 101           H3       MAN 101   4.599  -7.442   4.171
  236    H4   MAN 101           H4       MAN 101   5.047  -9.236   2.464
  237    H5   MAN 101           H5       MAN 101   3.024  -9.766   0.922
  238    H61  MAN 101           H61      MAN 101   3.024 -10.743   3.800
  239    H62  MAN 101           H62      MAN 101   3.625 -11.579   2.352
  240    HO2  MAN 101           HO2      MAN 101   1.299  -6.869   5.361
  241    HO3  MAN 101           HO3      MAN 101   3.743  -8.825   5.697
  242    HO4  MAN 101           HO4      MAN 101   4.363  -7.842   0.739
  243    HO6  MAN 101           HO6      MAN 101   1.107 -10.877   1.881
  Start of MODEL    4
    1    H1   THR   1           H1       THR   1  -1.905 -11.029  -3.481
    2    H2   THR   1           H2       THR   1  -3.403 -11.787  -3.720
    3    H3   THR   1           H3       THR   1  -2.646 -11.853  -2.205
    4    HA   THR   1           HA       THR   1  -3.689  -9.447  -3.483
    5    HB   THR   1           HB       THR   1  -5.136  -9.552  -1.354
    6    HG1  THR   1           HG1      THR   1  -5.385 -12.093  -1.060
    7   HG21  THR   1          HG21      THR   1  -6.818 -10.969  -2.432
    8   HG22  THR   1          HG22      THR   1  -5.592 -11.635  -3.501
    9   HG23  THR   1          HG23      THR   1  -6.035  -9.931  -3.624
   10    H    ALA   2           H        ALA   2  -3.776  -7.694  -1.806
   11    HA   ALA   2           HA       ALA   2  -1.239  -7.511  -0.447
   12    HB1  ALA   2           HB1      ALA   2  -1.945  -5.192   0.003
   13    HB2  ALA   2           HB2      ALA   2  -3.512  -5.532  -0.737
   14    HB3  ALA   2           HB3      ALA   2  -2.040  -5.586  -1.710
   15    H    SER   3           H        SER   3  -1.002  -7.704   1.653
   16    HA   SER   3           HA       SER   3  -3.194  -8.794   3.134
   17    HB2  SER   3           HB2      SER   3  -1.441  -9.316   4.838
   18    HB3  SER   3           HB3      SER   3  -1.101 -10.023   3.264
   19    H    HIS   4           H        HIS   4  -3.450  -8.101   5.414
   20    HA   HIS   4           HA       HIS   4  -4.032  -5.352   5.506
   21    HB2  HIS   4           HB2      HIS   4  -5.170  -7.235   6.823
   22    HB3  HIS   4           HB3      HIS   4  -3.794  -7.193   7.896
   23    HD1  HIS   4           HD1      HIS   4  -5.704  -6.542   9.727
   24    HD2  HIS   4           HD2      HIS   4  -4.896  -3.715   6.801
   25    HE1  HIS   4           HE1      HIS   4  -6.715  -4.409  10.534
   26    HE2  HIS   4           HE2      HIS   4  -6.668  -3.011   8.436
   27    H    TYR   5           H        TYR   5  -2.731  -3.737   5.947
   28    HA   TYR   5           HA       TYR   5  -1.159  -2.452   6.748
   29    HB2  TYR   5           HB2      TYR   5  -0.274  -4.809   8.429
   30    HB3  TYR   5           HB3      TYR   5   0.544  -3.251   8.454
   31    HD1  TYR   5           HD1      TYR   5  -2.257  -5.164   9.703
   32    HD2  TYR   5           HD2      TYR   5  -0.763  -1.212   9.168
   33    HE1  TYR   5           HE1      TYR   5  -3.846  -4.331  11.380
   34    HE2  TYR   5           HE2      TYR   5  -2.355  -0.377  10.847
   35    HH   TYR   5           HH       TYR   5  -4.595  -1.122  11.726
   36    H    GLY   6           H        GLY   6  -0.897  -4.601   4.549
   37    HA2  GLY   6           HA2      GLY   6   1.949  -4.212   4.028
   38    HA3  GLY   6           HA3      GLY   6   0.861  -5.283   3.143
   39    H    GLN   7           H        GLN   7   2.477  -3.549   1.750
   40    HA   GLN   7           HA       GLN   7   1.089  -1.106   1.157
   41    HB2  GLN   7           HB2      GLN   7   3.556  -1.315   0.967
   42    HB3  GLN   7           HB3      GLN   7   3.334  -2.488  -0.330
   43    HG2  GLN   7           HG2      GLN   7   2.299  -0.711  -1.685
   44    HG3  GLN   7           HG3      GLN   7   2.613   0.436  -0.378
   45   HE21  GLN   7          HE21      GLN   7   4.052   1.725  -1.694
   46   HE22  GLN   7          HE22      GLN   7   5.595   1.116  -2.068
   47    H    CYS   8           H        CYS   8  -0.504  -0.859  -0.267
   48    HA   CYS   8           HA       CYS   8  -1.300  -3.248  -1.808
   49    HB2  CYS   8           HB2      CYS   8  -3.574  -2.355  -1.599
   50    HB3  CYS   8           HB3      CYS   8  -2.786  -2.703  -0.055
   51    H    GLY   9           H        GLY   9   0.031  -0.259  -2.487
   52    HA2  GLY   9           HA2      GLY   9  -0.252  -0.365  -5.191
   53    HA3  GLY   9           HA3      GLY   9  -1.797   0.251  -4.667
   54    H    GLY  10           H        GLY  10   1.634   0.896  -4.397
   55    HA2  GLY  10           HA2      GLY  10   1.004   3.730  -4.118
   56    HA3  GLY  10           HA3      GLY  10   2.590   2.989  -3.915
   57    H    ILE  11           H        ILE  11   2.248   5.206  -5.525
   58    HA   ILE  11           HA       ILE  11   1.882   4.604  -8.231
   59    HB   ILE  11           HB       ILE  11   3.582   6.739  -6.944
   60   HG12  ILE  11          HG12      ILE  11   0.765   6.817  -8.057
   61   HG13  ILE  11          HG13      ILE  11   1.222   6.850  -6.358
   62   HG21  ILE  11          HG21      ILE  11   3.459   7.900  -9.143
   63   HG22  ILE  11          HG22      ILE  11   2.595   6.496  -9.793
   64   HG23  ILE  11          HG23      ILE  11   4.263   6.327  -9.263
   65   HD11  ILE  11          HD11      ILE  11   0.605   9.053  -7.156
   66   HD12  ILE  11          HD12      ILE  11   1.866   8.966  -8.391
   67   HD13  ILE  11          HD13      ILE  11   2.303   9.000  -6.683
   68    H    GLY  12           H        GLY  12   2.976   3.282  -9.448
   69    HA2  GLY  12           HA2      GLY  12   4.886   2.507 -10.588
   70    HA3  GLY  12           HA3      GLY  12   5.895   3.203  -9.327
   71    H    TYR  13           H        TYR  13   3.471   1.621  -7.806
   72    HA   TYR  13           HA       TYR  13   5.164  -0.718  -7.421
   73    HB2  TYR  13           HB2      TYR  13   4.715   0.436  -5.370
   74    HB3  TYR  13           HB3      TYR  13   2.999   0.525  -5.713
   75    HD1  TYR  13           HD1      TYR  13   1.614  -0.957  -4.652
   76    HD2  TYR  13           HD2      TYR  13   5.684  -2.043  -5.200
   77    HE1  TYR  13           HE1      TYR  13   1.235  -2.969  -3.328
   78    HE2  TYR  13           HE2      TYR  13   5.318  -4.076  -3.865
   79    HH   TYR  13           HH       TYR  13   2.107  -5.010  -2.833
   80    H    SER  14           H        SER  14   4.664  -2.293  -8.736
   81    HA   SER  14           HA       SER  14   1.906  -2.644  -9.585
   82    HB2  SER  14           HB2      SER  14   3.101  -4.093 -11.337
   83    HB3  SER  14           HB3      SER  14   3.303  -2.345 -11.438
   84    HG   SER  14           HG       SER  14   5.153  -4.185 -11.242
   85    H    GLY  15           H        GLY  15   3.295  -3.624  -7.057
   86    HA2  GLY  15           HA2      GLY  15   3.202  -6.517  -7.235
   87    HA3  GLY  15           HA3      GLY  15   3.339  -5.575  -5.748
   88    HA   PRO  16           HA       PRO  16  -0.887  -7.589  -5.594
   89    HB2  PRO  16           HB2      PRO  16  -0.711  -7.407  -2.802
   90    HB3  PRO  16           HB3      PRO  16  -0.360  -8.852  -3.759
   91    HG2  PRO  16           HG2      PRO  16   1.522  -6.742  -2.754
   92    HG3  PRO  16           HG3      PRO  16   1.736  -8.514  -2.745
   93    HD2  PRO  16           HD2      PRO  16   2.965  -7.048  -4.507
   94    HD3  PRO  16           HD3      PRO  16   2.147  -8.530  -5.050
   95    H    THR  17           H        THR  17  -2.342  -6.050  -6.066
   96    HA   THR  17           HA       THR  17  -2.335  -3.588  -4.499
   97    HB   THR  17           HB       THR  17  -3.707  -2.755  -6.503
   98    HG1  THR  17           HG1      THR  17  -3.868  -4.000  -8.157
   99   HG21  THR  17          HG21      THR  17  -0.800  -3.530  -6.899
  100   HG22  THR  17          HG22      THR  17  -1.374  -2.075  -6.089
  101   HG23  THR  17          HG23      THR  17  -1.667  -2.295  -7.814
  102    H    VAL  18           H        VAL  18  -4.224  -6.274  -5.564
  103    HA   VAL  18           HA       VAL  18  -6.735  -5.272  -4.611
  104    HB   VAL  18           HB       VAL  18  -5.891  -8.060  -5.494
  105   HG11  VAL  18          HG11      VAL  18  -7.843  -8.151  -4.056
  106   HG12  VAL  18          HG12      VAL  18  -8.278  -8.515  -5.731
  107   HG13  VAL  18          HG13      VAL  18  -8.631  -6.925  -5.046
  108   HG21  VAL  18          HG21      VAL  18  -7.369  -5.894  -6.978
  109   HG22  VAL  18          HG22      VAL  18  -7.051  -7.516  -7.582
  110   HG23  VAL  18          HG23      VAL  18  -5.711  -6.407  -7.280
  111    H    CYS  19           H        CYS  19  -7.500  -5.527  -2.558
  112    HA   CYS  19           HA       CYS  19  -5.719  -6.741  -0.616
  113    HB2  CYS  19           HB2      CYS  19  -8.140  -4.970  -0.334
  114    HB3  CYS  19           HB3      CYS  19  -7.356  -5.752   1.035
  115    H    ALA  20           H        ALA  20  -6.917  -7.781   1.314
  116    HA   ALA  20           HA       ALA  20  -8.342 -10.075   0.288
  117    HB1  ALA  20           HB1      ALA  20  -8.002 -10.963   2.558
  118    HB2  ALA  20           HB2      ALA  20  -7.332  -9.413   3.064
  119    HB3  ALA  20           HB3      ALA  20  -6.482 -10.387   1.869
  120    H    SER  21           H        SER  21 -10.218 -10.860   1.718
  121    HA   SER  21           HA       SER  21 -12.317  -9.013   1.636
  122    HB2  SER  21           HB2      SER  21 -12.181 -11.588   3.221
  123    HB3  SER  21           HB3      SER  21 -13.622 -10.800   2.566
  124    HG   SER  21           HG       SER  21 -12.545 -11.082   0.471
  125    H    GLY  22           H        GLY  22 -12.491  -7.300   2.980
  126    HA2  GLY  22           HA2      GLY  22 -13.155  -6.558   5.149
  127    HA3  GLY  22           HA3      GLY  22 -12.091  -7.772   5.843
  128    H    THR  23           H        THR  23 -10.619  -6.194   3.226
  129    HA   THR  23           HA       THR  23  -9.429  -4.197   4.998
  130    HB   THR  23           HB       THR  23  -7.146  -4.734   3.911
  131    HG1  THR  23           HG1      THR  23  -8.725  -6.671   2.774
  132   HG21  THR  23          HG21      THR  23  -7.653  -5.336   6.235
  133   HG22  THR  23          HG22      THR  23  -6.663  -6.569   5.455
  134   HG23  THR  23          HG23      THR  23  -8.393  -6.840   5.682
  135    H    THR  24           H        THR  24  -8.548  -2.307   3.916
  136    HA   THR  24           HA       THR  24  -9.446  -2.070   1.141
  137    HB   THR  24           HB       THR  24 -10.081   0.312   1.695
  138    HG1  THR  24           HG1      THR  24  -9.280  -0.536   4.196
  139   HG21  THR  24          HG21      THR  24 -12.288  -0.287   2.589
  140   HG22  THR  24          HG22      THR  24 -11.674  -1.878   3.041
  141   HG23  THR  24          HG23      THR  24 -11.780  -1.423   1.339
  142    H    CYS  25           H        CYS  25  -8.115  -0.910  -0.204
  143    HA   CYS  25           HA       CYS  25  -5.464  -0.422   0.755
  144    HB2  CYS  25           HB2      CYS  25  -5.960  -1.293  -1.543
  145    HB3  CYS  25           HB3      CYS  25  -6.674   0.276  -1.918
  146    H    GLN  26           H        GLN  26  -4.882   1.412   1.767
  147    HA   GLN  26           HA       GLN  26  -6.397   3.781   1.095
  148    HB2  GLN  26           HB2      GLN  26  -5.241   2.884   3.717
  149    HB3  GLN  26           HB3      GLN  26  -5.893   4.490   3.421
  150    HG2  GLN  26           HG2      GLN  26  -8.071   3.507   2.873
  151    HG3  GLN  26           HG3      GLN  26  -7.415   1.904   3.151
  152   HE21  GLN  26          HE21      GLN  26  -8.925   1.474   4.703
  153   HE22  GLN  26          HE22      GLN  26  -8.886   2.162   6.275
  154    H    VAL  27           H        VAL  27  -5.316   5.430   0.414
  155    HA   VAL  27           HA       VAL  27  -2.492   5.205  -0.052
  156    HB   VAL  27           HB       VAL  27  -4.452   7.431  -0.720
  157   HG11  VAL  27          HG11      VAL  27  -2.713   8.279  -2.240
  158   HG12  VAL  27          HG12      VAL  27  -1.599   7.046  -1.647
  159   HG13  VAL  27          HG13      VAL  27  -2.176   8.307  -0.562
  160   HG21  VAL  27          HG21      VAL  27  -4.278   6.568  -3.010
  161   HG22  VAL  27          HG22      VAL  27  -4.933   5.360  -1.899
  162   HG23  VAL  27          HG23      VAL  27  -3.253   5.259  -2.427
  163    H    LEU  28           H        LEU  28  -1.113   5.723   1.440
  164    HA   LEU  28           HA       LEU  28  -1.846   7.652   3.527
  165    HB2  LEU  28           HB2      LEU  28   0.594   5.893   3.296
  166    HB3  LEU  28           HB3      LEU  28   0.170   6.871   4.681
  167    HG   LEU  28           HG       LEU  28  -1.249   4.395   3.696
  168   HD11  LEU  28          HD11      LEU  28  -0.534   3.457   5.807
  169   HD12  LEU  28          HD12      LEU  28   0.218   4.991   6.241
  170   HD13  LEU  28          HD13      LEU  28   0.848   4.060   4.885
  171   HD21  LEU  28          HD21      LEU  28  -2.890   5.985   4.541
  172   HD22  LEU  28          HD22      LEU  28  -1.931   6.185   6.014
  173   HD23  LEU  28          HD23      LEU  28  -2.676   4.627   5.651
  174    H    ASN  29           H        ASN  29   0.575   6.922   1.115
  175    HA   ASN  29           HA       ASN  29   1.266   9.727   0.876
  176    HB2  ASN  29           HB2      ASN  29   3.251   7.391   1.014
  177    HB3  ASN  29           HB3      ASN  29   3.660   9.055   0.617
  178   HD21  ASN  29          HD21      ASN  29   2.897   6.829   3.171
  179   HD22  ASN  29          HD22      ASN  29   3.238   7.872   4.484
  180    HA   PRO  30           HA       PRO  30   0.631   8.664  -3.365
  181    HB2  PRO  30           HB2      PRO  30   3.109   9.386  -4.533
  182    HB3  PRO  30           HB3      PRO  30   1.595  10.274  -4.587
  183    HG2  PRO  30           HG2      PRO  30   3.924  10.983  -3.164
  184    HG3  PRO  30           HG3      PRO  30   2.338  11.755  -3.050
  185    HD2  PRO  30           HD2      PRO  30   3.693  10.016  -1.170
  186    HD3  PRO  30           HD3      PRO  30   2.238  10.986  -0.921
  187    H    TYR  31           H        TYR  31   3.945   7.766  -2.450
  188    HA   TYR  31           HA       TYR  31   3.746   5.594  -4.341
  189    HB2  TYR  31           HB2      TYR  31   6.111   6.404  -2.612
  190    HB3  TYR  31           HB3      TYR  31   6.115   5.167  -3.857
  191    HD1  TYR  31           HD1      TYR  31   5.902   8.826  -3.276
  192    HD2  TYR  31           HD2      TYR  31   6.296   5.738  -6.178
  193    HE1  TYR  31           HE1      TYR  31   6.536  10.494  -4.961
  194    HE2  TYR  31           HE2      TYR  31   6.929   7.414  -7.864
  195    HH   TYR  31           HH       TYR  31   7.835  10.525  -7.039
  196    H    TYR  32           H        TYR  32   3.537   6.163  -0.903
  197    HA   TYR  32           HA       TYR  32   3.432   3.257  -0.516
  198    HB2  TYR  32           HB2      TYR  32   5.008   4.483   0.979
  199    HB3  TYR  32           HB3      TYR  32   3.626   5.336   1.667
  200    HD1  TYR  32           HD1      TYR  32   5.131   1.990   1.219
  201    HD2  TYR  32           HD2      TYR  32   2.275   4.319   3.345
  202    HE1  TYR  32           HE1      TYR  32   4.781   0.135   2.775
  203    HE2  TYR  32           HE2      TYR  32   1.931   2.455   4.919
  204    HH   TYR  32           HH       TYR  32   4.023  -0.152   5.081
  205    H    SER  33           H        SER  33   1.518   2.414  -0.660
  206    HA   SER  33           HA       SER  33  -0.728   3.757   0.670
  207    HB2  SER  33           HB2      SER  33  -0.798   1.909  -1.745
  208    HB3  SER  33           HB3      SER  33  -2.199   2.677  -1.007
  209    HG   SER  33           HG       SER  33  -1.291   3.698  -2.907
  210    H    GLN  34           H        GLN  34  -1.813   2.402   2.136
  211    HA   GLN  34           HA       GLN  34  -0.585  -0.252   2.440
  212    HB2  GLN  34           HB2      GLN  34   0.198   1.496   4.082
  213    HB3  GLN  34           HB3      GLN  34  -1.450   1.575   4.676
  214    HG2  GLN  34           HG2      GLN  34  -1.340  -0.773   5.301
  215    HG3  GLN  34           HG3      GLN  34   0.317  -0.856   4.705
  216   HE21  GLN  34          HE21      GLN  34   1.208  -1.367   6.649
  217   HE22  GLN  34          HE22      GLN  34   1.271  -0.303   7.997
  218    H    CYS  35           H        CYS  35  -2.003  -1.895   2.938
  219    HA   CYS  35           HA       CYS  35  -4.789  -1.231   2.559
  220    HB2  CYS  35           HB2      CYS  35  -3.662  -3.335   1.529
  221    HB3  CYS  35           HB3      CYS  35  -3.770  -4.002   3.152
  222    H    LEU  36           H        LEU  36  -6.008  -0.716   4.143
  223    HA   LEU  36           HA       LEU  36  -5.371  -1.651   6.826
  224    HB2  LEU  36           HB2      LEU  36  -6.560   0.986   5.966
  225    HB3  LEU  36           HB3      LEU  36  -6.258   0.493   7.619
  226    HG   LEU  36           HG       LEU  36  -4.132   0.938   5.521
  227   HD11  LEU  36          HD11      LEU  36  -4.923   2.635   7.880
  228   HD12  LEU  36          HD12      LEU  36  -5.168   3.026   6.181
  229   HD13  LEU  36          HD13      LEU  36  -3.533   2.910   6.830
  230   HD21  LEU  36          HD21      LEU  36  -3.899   0.322   8.464
  231   HD22  LEU  36          HD22      LEU  36  -2.564   0.766   7.401
  232   HD23  LEU  36          HD23      LEU  36  -3.447  -0.733   7.126
  233    H1   MAN 101           H1       MAN 101   1.149  -9.972   2.859
  234    H2   MAN 101           H2       MAN 101   2.389  -7.182   3.124
  235    H3   MAN 101           H3       MAN 101   4.349  -8.090   2.159
  236    H4   MAN 101           H4       MAN 101   3.562  -8.768  -0.160
  237    H5   MAN 101           H5       MAN 101   1.035  -8.564  -0.506
  238    H61  MAN 101           H61      MAN 101   2.122 -10.869   1.181
  239    H62  MAN 101           H62      MAN 101   1.922 -10.814  -0.571
  240    HO2  MAN 101           HO2      MAN 101   3.818  -8.518   4.466
  241    HO3  MAN 101           HO3      MAN 101   4.098 -10.137   3.025
  242    HO4  MAN 101           HO4      MAN 101   3.697  -6.583   0.540
  243    HO6  MAN 101           HO6      MAN 101  -0.433 -10.354  -0.020
  Start of MODEL    5
    1    H1   THR   1           H1       THR   1  -1.179 -11.049  -3.155
    2    H2   THR   1           H2       THR   1  -2.325 -12.297  -2.996
    3    H3   THR   1           H3       THR   1  -1.523 -11.694  -1.646
    4    HA   THR   1           HA       THR   1  -3.369 -10.075  -3.253
    5    HB   THR   1           HB       THR   1  -3.849 -11.265  -0.517
    6    HG1  THR   1           HG1      THR   1  -4.534 -13.093  -1.408
    7   HG21  THR   1          HG21      THR   1  -5.318  -9.436  -1.295
    8   HG22  THR   1          HG22      THR   1  -6.200 -10.947  -1.111
    9   HG23  THR   1          HG23      THR   1  -5.734 -10.390  -2.719
   10    H    ALA   2           H        ALA   2  -3.821  -8.051  -2.000
   11    HA   ALA   2           HA       ALA   2  -1.449  -7.182  -0.655
   12    HB1  ALA   2           HB1      ALA   2  -4.051  -5.731  -1.227
   13    HB2  ALA   2           HB2      ALA   2  -2.549  -5.637  -2.157
   14    HB3  ALA   2           HB3      ALA   2  -2.605  -5.008  -0.514
   15    H    SER   3           H        SER   3  -1.132  -7.573   1.283
   16    HA   SER   3           HA       SER   3  -3.148  -8.678   2.949
   17    HB2  SER   3           HB2      SER   3  -1.052  -9.013   4.393
   18    HB3  SER   3           HB3      SER   3  -1.178  -9.898   2.869
   19    H    HIS   4           H        HIS   4  -3.512  -8.042   5.083
   20    HA   HIS   4           HA       HIS   4  -3.980  -5.296   5.479
   21    HB2  HIS   4           HB2      HIS   4  -5.130  -7.317   6.610
   22    HB3  HIS   4           HB3      HIS   4  -3.736  -7.361   7.666
   23    HD1  HIS   4           HD1      HIS   4  -5.278  -6.856   9.718
   24    HD2  HIS   4           HD2      HIS   4  -5.273  -3.898   6.811
   25    HE1  HIS   4           HE1      HIS   4  -6.434  -4.891  10.753
   26    HE2  HIS   4           HE2      HIS   4  -6.723  -3.299   8.879
   27    H    TYR   5           H        TYR   5  -2.562  -3.776   5.906
   28    HA   TYR   5           HA       TYR   5  -0.938  -2.587   6.822
   29    HB2  TYR   5           HB2      TYR   5  -0.119  -5.079   8.330
   30    HB3  TYR   5           HB3      TYR   5   0.774  -3.566   8.437
   31    HD1  TYR   5           HD1      TYR   5  -2.187  -5.391   9.498
   32    HD2  TYR   5           HD2      TYR   5  -0.305  -1.580   9.434
   33    HE1  TYR   5           HE1      TYR   5  -3.715  -4.608  11.252
   34    HE2  TYR   5           HE2      TYR   5  -1.833  -0.788  11.197
   35    HH   TYR   5           HH       TYR   5  -3.773  -2.880  12.995
   36    H    GLY   6           H        GLY   6  -0.692  -4.741   4.536
   37    HA2  GLY   6           HA2      GLY   6   2.143  -4.278   4.047
   38    HA3  GLY   6           HA3      GLY   6   1.089  -5.370   3.142
   39    H    GLN   7           H        GLN   7   2.696  -3.579   1.791
   40    HA   GLN   7           HA       GLN   7   1.207  -1.217   1.161
   41    HB2  GLN   7           HB2      GLN   7   3.646  -1.188   0.862
   42    HB3  GLN   7           HB3      GLN   7   3.535  -2.505  -0.312
   43    HG2  GLN   7           HG2      GLN   7   2.405  -1.075  -1.865
   44    HG3  GLN   7           HG3      GLN   7   2.314   0.230  -0.693
   45   HE21  GLN   7          HE21      GLN   7   3.507   1.668  -2.060
   46   HE22  GLN   7          HE22      GLN   7   5.168   1.420  -2.329
   47    H    CYS   8           H        CYS   8  -0.310  -0.979  -0.266
   48    HA   CYS   8           HA       CYS   8  -1.121  -3.399  -1.698
   49    HB2  CYS   8           HB2      CYS   8  -3.371  -2.351  -1.702
   50    HB3  CYS   8           HB3      CYS   8  -2.711  -2.741  -0.114
   51    H    GLY   9           H        GLY   9  -0.857   0.145  -2.205
   52    HA2  GLY   9           HA2      GLY   9  -0.526  -0.320  -5.036
   53    HA3  GLY   9           HA3      GLY   9  -2.117   0.271  -4.567
   54    H    GLY  10           H        GLY  10   1.286   1.044  -4.197
   55    HA2  GLY  10           HA2      GLY  10   0.492   3.883  -4.267
   56    HA3  GLY  10           HA3      GLY  10   2.027   3.279  -3.613
   57    H    ILE  11           H        ILE  11   1.993   5.277  -5.511
   58    HA   ILE  11           HA       ILE  11   2.155   4.362  -8.156
   59    HB   ILE  11           HB       ILE  11   3.611   6.733  -6.936
   60   HG12  ILE  11          HG12      ILE  11   0.884   6.555  -8.251
   61   HG13  ILE  11          HG13      ILE  11   1.208   6.856  -6.560
   62   HG21  ILE  11          HG21      ILE  11   4.531   6.100  -9.114
   63   HG22  ILE  11          HG22      ILE  11   3.650   7.623  -9.233
   64   HG23  ILE  11          HG23      ILE  11   2.913   6.132  -9.818
   65   HD11  ILE  11          HD11      ILE  11   2.257   8.977  -7.086
   66   HD12  ILE  11          HD12      ILE  11   0.616   8.914  -7.736
   67   HD13  ILE  11          HD13      ILE  11   1.997   8.693  -8.805
   68    H    GLY  12           H        GLY  12   3.552   3.074  -9.072
   69    HA2  GLY  12           HA2      GLY  12   5.778   2.524  -9.709
   70    HA3  GLY  12           HA3      GLY  12   6.330   3.039  -8.119
   71    H    TYR  13           H        TYR  13   3.655   1.492  -7.390
   72    HA   TYR  13           HA       TYR  13   5.090  -1.004  -6.921
   73    HB2  TYR  13           HB2      TYR  13   4.264   0.150  -4.923
   74    HB3  TYR  13           HB3      TYR  13   2.635   0.151  -5.579
   75    HD1  TYR  13           HD1      TYR  13   1.198  -1.665  -5.185
   76    HD2  TYR  13           HD2      TYR  13   5.342  -2.067  -4.360
   77    HE1  TYR  13           HE1      TYR  13   0.756  -3.785  -4.042
   78    HE2  TYR  13           HE2      TYR  13   4.903  -4.192  -3.203
   79    HH   TYR  13           HH       TYR  13   1.791  -5.710  -3.343
   80    H    SER  14           H        SER  14   4.738  -2.394  -8.521
   81    HA   SER  14           HA       SER  14   2.088  -2.615  -9.709
   82    HB2  SER  14           HB2      SER  14   3.399  -3.895 -11.451
   83    HB3  SER  14           HB3      SER  14   3.819  -2.187 -11.304
   84    HG   SER  14           HG       SER  14   5.730  -3.227 -11.299
   85    H    GLY  15           H        GLY  15   2.878  -3.708  -7.080
   86    HA2  GLY  15           HA2      GLY  15   2.962  -6.604  -7.468
   87    HA3  GLY  15           HA3      GLY  15   2.939  -5.772  -5.910
   88    HA   PRO  16           HA       PRO  16  -1.294  -7.629  -6.445
   89    HB2  PRO  16           HB2      PRO  16  -1.424  -8.106  -3.732
   90    HB3  PRO  16           HB3      PRO  16  -0.803  -9.273  -4.904
   91    HG2  PRO  16           HG2      PRO  16   0.731  -7.239  -3.313
   92    HG3  PRO  16           HG3      PRO  16   1.055  -8.996  -3.423
   93    HD2  PRO  16           HD2      PRO  16   2.456  -7.350  -4.836
   94    HD3  PRO  16           HD3      PRO  16   1.740  -8.751  -5.672
   95    H    THR  17           H        THR  17  -2.577  -5.854  -6.718
   96    HA   THR  17           HA       THR  17  -2.531  -3.778  -4.679
   97    HB   THR  17           HB       THR  17  -3.880  -2.447  -6.356
   98    HG1  THR  17           HG1      THR  17  -3.869  -3.188  -8.464
   99   HG21  THR  17          HG21      THR  17  -1.195  -3.462  -7.320
  100   HG22  THR  17          HG22      THR  17  -1.445  -2.164  -6.153
  101   HG23  THR  17          HG23      THR  17  -1.978  -1.961  -7.822
  102    H    VAL  18           H        VAL  18  -4.295  -6.457  -5.478
  103    HA   VAL  18           HA       VAL  18  -6.906  -5.477  -4.673
  104    HB   VAL  18           HB       VAL  18  -5.950  -8.294  -5.258
  105   HG11  VAL  18          HG11      VAL  18  -7.925  -8.313  -3.857
  106   HG12  VAL  18          HG12      VAL  18  -8.318  -8.870  -5.482
  107   HG13  VAL  18          HG13      VAL  18  -8.766  -7.240  -4.981
  108   HG21  VAL  18          HG21      VAL  18  -5.767  -6.875  -7.216
  109   HG22  VAL  18          HG22      VAL  18  -7.437  -6.348  -7.011
  110   HG23  VAL  18          HG23      VAL  18  -7.083  -8.030  -7.416
  111    H    CYS  19           H        CYS  19  -7.434  -5.323  -2.579
  112    HA   CYS  19           HA       CYS  19  -5.813  -6.612  -0.577
  113    HB2  CYS  19           HB2      CYS  19  -8.086  -4.646  -0.420
  114    HB3  CYS  19           HB3      CYS  19  -7.409  -5.448   0.995
  115    H    ALA  20           H        ALA  20  -6.716  -7.769   1.192
  116    HA   ALA  20           HA       ALA  20  -8.390  -9.903   0.326
  117    HB1  ALA  20           HB1      ALA  20  -6.484 -10.251   1.807
  118    HB2  ALA  20           HB2      ALA  20  -7.983 -10.803   2.564
  119    HB3  ALA  20           HB3      ALA  20  -7.258  -9.270   3.053
  120    H    SER  21           H        SER  21 -10.150 -10.639   1.958
  121    HA   SER  21           HA       SER  21 -12.287  -8.840   1.803
  122    HB2  SER  21           HB2      SER  21 -12.035 -11.330   3.484
  123    HB3  SER  21           HB3      SER  21 -13.518 -10.608   2.849
  124    HG   SER  21           HG       SER  21 -12.589 -10.942   0.735
  125    H    GLY  22           H        GLY  22 -12.462  -7.083   3.030
  126    HA2  GLY  22           HA2      GLY  22 -13.120  -6.207   5.178
  127    HA3  GLY  22           HA3      GLY  22 -12.021  -7.355   5.928
  128    H    THR  23           H        THR  23 -10.361  -6.282   3.366
  129    HA   THR  23           HA       THR  23  -9.250  -4.072   4.922
  130    HB   THR  23           HB       THR  23  -7.021  -4.666   3.879
  131    HG1  THR  23           HG1      THR  23  -8.590  -6.481   2.602
  132   HG21  THR  23          HG21      THR  23  -7.547  -5.305   6.168
  133   HG22  THR  23          HG22      THR  23  -6.599  -6.558   5.363
  134   HG23  THR  23          HG23      THR  23  -8.335  -6.769   5.583
  135    H    THR  24           H        THR  24  -8.466  -2.269   3.794
  136    HA   THR  24           HA       THR  24  -9.241  -2.111   0.971
  137    HB   THR  24           HB       THR  24  -9.906   0.315   1.435
  138    HG1  THR  24           HG1      THR  24  -9.175  -0.258   3.928
  139   HG21  THR  24          HG21      THR  24 -11.622  -1.898   2.560
  140   HG22  THR  24          HG22      THR  24 -11.555  -1.384   0.874
  141   HG23  THR  24          HG23      THR  24 -12.199  -0.295   2.104
  142    H    CYS  25           H        CYS  25  -7.920  -0.912  -0.329
  143    HA   CYS  25           HA       CYS  25  -5.283  -0.483   0.676
  144    HB2  CYS  25           HB2      CYS  25  -5.708  -1.339  -1.616
  145    HB3  CYS  25           HB3      CYS  25  -6.445   0.212  -2.015
  146    H    GLN  26           H        GLN  26  -4.994   1.209   2.007
  147    HA   GLN  26           HA       GLN  26  -6.273   3.662   1.219
  148    HB2  GLN  26           HB2      GLN  26  -5.373   2.671   3.891
  149    HB3  GLN  26           HB3      GLN  26  -5.637   4.390   3.612
  150    HG2  GLN  26           HG2      GLN  26  -7.937   3.852   2.847
  151    HG3  GLN  26           HG3      GLN  26  -7.652   2.170   3.296
  152   HE21  GLN  26          HE21      GLN  26  -7.802   1.596   5.440
  153   HE22  GLN  26          HE22      GLN  26  -8.224   2.717   6.680
  154    H    VAL  27           H        VAL  27  -5.284   5.248   0.509
  155    HA   VAL  27           HA       VAL  27  -2.479   5.132  -0.022
  156    HB   VAL  27           HB       VAL  27  -4.556   7.273  -0.610
  157   HG11  VAL  27          HG11      VAL  27  -1.779   6.942  -1.740
  158   HG12  VAL  27          HG12      VAL  27  -2.295   8.195  -0.614
  159   HG13  VAL  27          HG13      VAL  27  -2.966   8.146  -2.246
  160   HG21  VAL  27          HG21      VAL  27  -4.571   6.372  -2.873
  161   HG22  VAL  27          HG22      VAL  27  -5.038   5.135  -1.705
  162   HG23  VAL  27          HG23      VAL  27  -3.414   5.133  -2.397
  163    H    LEU  28           H        LEU  28  -1.108   5.699   1.506
  164    HA   LEU  28           HA       LEU  28  -1.899   7.636   3.549
  165    HB2  LEU  28           HB2      LEU  28   0.598   5.961   3.291
  166    HB3  LEU  28           HB3      LEU  28   0.192   6.969   4.665
  167    HG   LEU  28           HG       LEU  28  -1.318   4.503   3.779
  168   HD11  LEU  28          HD11      LEU  28   0.817   3.988   4.710
  169   HD12  LEU  28          HD12      LEU  28  -0.455   3.543   5.853
  170   HD13  LEU  28          HD13      LEU  28   0.507   5.001   6.118
  171   HD21  LEU  28          HD21      LEU  28  -1.668   6.288   6.160
  172   HD22  LEU  28          HD22      LEU  28  -2.490   4.747   5.900
  173   HD23  LEU  28          HD23      LEU  28  -2.812   6.110   4.816
  174    H    ASN  29           H        ASN  29   0.379   7.046   1.001
  175    HA   ASN  29           HA       ASN  29   1.007   9.859   0.772
  176    HB2  ASN  29           HB2      ASN  29   3.033   7.585   0.870
  177    HB3  ASN  29           HB3      ASN  29   3.404   9.240   0.416
  178   HD21  ASN  29          HD21      ASN  29   2.787   7.058   2.985
  179   HD22  ASN  29          HD22      ASN  29   3.184   8.108   4.278
  180    HA   PRO  30           HA       PRO  30   0.307   8.711  -3.416
  181    HB2  PRO  30           HB2      PRO  30   2.685   9.518  -4.717
  182    HB3  PRO  30           HB3      PRO  30   1.148  10.366  -4.670
  183    HG2  PRO  30           HG2      PRO  30   3.558  11.100  -3.376
  184    HG3  PRO  30           HG3      PRO  30   1.976  11.879  -3.220
  185    HD2  PRO  30           HD2      PRO  30   3.397  10.195  -1.350
  186    HD3  PRO  30           HD3      PRO  30   1.924  11.142  -1.087
  187    H    TYR  31           H        TYR  31   3.583   7.815  -2.422
  188    HA   TYR  31           HA       TYR  31   3.479   5.687  -4.409
  189    HB2  TYR  31           HB2      TYR  31   5.865   6.484  -2.709
  190    HB3  TYR  31           HB3      TYR  31   5.857   5.458  -4.137
  191    HD1  TYR  31           HD1      TYR  31   5.591   8.913  -2.932
  192    HD2  TYR  31           HD2      TYR  31   5.772   6.418  -6.363
  193    HE1  TYR  31           HE1      TYR  31   5.953  10.882  -4.325
  194    HE2  TYR  31           HE2      TYR  31   6.149   8.397  -7.777
  195    HH   TYR  31           HH       TYR  31   6.885  11.461  -6.454
  196    H    TYR  32           H        TYR  32   3.400   6.266  -0.986
  197    HA   TYR  32           HA       TYR  32   3.406   3.368  -0.545
  198    HB2  TYR  32           HB2      TYR  32   4.955   4.720   0.861
  199    HB3  TYR  32           HB3      TYR  32   3.555   5.545   1.541
  200    HD1  TYR  32           HD1      TYR  32   2.505   4.662   3.473
  201    HD2  TYR  32           HD2      TYR  32   4.992   2.140   1.096
  202    HE1  TYR  32           HE1      TYR  32   2.321   2.880   5.153
  203    HE2  TYR  32           HE2      TYR  32   4.792   0.364   2.776
  204    HH   TYR  32           HH       TYR  32   2.551   0.510   5.371
  205    H    SER  33           H        SER  33   1.515   2.458  -0.624
  206    HA   SER  33           HA       SER  33  -0.700   3.732   0.790
  207    HB2  SER  33           HB2      SER  33  -0.954   1.980  -1.714
  208    HB3  SER  33           HB3      SER  33  -2.247   2.809  -0.852
  209    HG   SER  33           HG       SER  33  -1.288   3.824  -2.822
  210    H    GLN  34           H        GLN  34  -1.672   2.363   2.253
  211    HA   GLN  34           HA       GLN  34  -0.450  -0.304   2.466
  212    HB2  GLN  34           HB2      GLN  34   0.415   1.384   4.105
  213    HB3  GLN  34           HB3      GLN  34  -1.216   1.553   4.720
  214    HG2  GLN  34           HG2      GLN  34  -1.211  -0.755   5.443
  215    HG3  GLN  34           HG3      GLN  34   0.397  -0.984   4.757
  216   HE21  GLN  34          HE21      GLN  34   1.397  -1.486   6.682
  217   HE22  GLN  34          HE22      GLN  34   1.607  -0.351   7.951
  218    H    CYS  35           H        CYS  35  -1.864  -1.951   2.953
  219    HA   CYS  35           HA       CYS  35  -4.625  -1.248   2.560
  220    HB2  CYS  35           HB2      CYS  35  -3.535  -3.317   1.500
  221    HB3  CYS  35           HB3      CYS  35  -3.644  -4.043   3.097
  222    H    LEU  36           H        LEU  36  -5.901  -0.745   4.057
  223    HA   LEU  36           HA       LEU  36  -5.720  -1.937   6.706
  224    HB2  LEU  36           HB2      LEU  36  -6.191   0.986   6.061
  225    HB3  LEU  36           HB3      LEU  36  -6.237   0.268   7.655
  226    HG   LEU  36           HG       LEU  36  -3.760   0.467   5.934
  227   HD11  LEU  36          HD11      LEU  36  -4.633   2.134   8.287
  228   HD12  LEU  36          HD12      LEU  36  -4.543   2.661   6.606
  229   HD13  LEU  36          HD13      LEU  36  -3.070   2.230   7.474
  230   HD21  LEU  36          HD21      LEU  36  -3.690  -1.395   7.505
  231   HD22  LEU  36          HD22      LEU  36  -4.135  -0.317   8.825
  232   HD23  LEU  36          HD23      LEU  36  -2.585  -0.116   8.008
  233    H1   MAN 101           H1       MAN 101   1.342  -9.468   4.058
  234    H2   MAN 101           H2       MAN 101   2.570  -7.420   3.249
  235    H3   MAN 101           H3       MAN 101   1.696  -7.385   0.923
  236    H4   MAN 101           H4       MAN 101   3.370  -9.898   0.666
  237    H5   MAN 101           H5       MAN 101   0.328  -9.458   0.495
  238    H61  MAN 101           H61      MAN 101   0.212 -11.925   0.382
  239    H62  MAN 101           H62      MAN 101   1.988 -12.032   0.295
  240    HO2  MAN 101           HO2      MAN 101   3.639  -9.321   3.883
  241    HO3  MAN 101           HO3      MAN 101   4.473  -7.928   1.203
  242    HO4  MAN 101           HO4      MAN 101   3.337  -8.434  -1.109
  243    HO6  MAN 101           HO6      MAN 101   1.620 -10.467  -1.562
  Start of MODEL    6
    1    H1   THR   1           H1       THR   1  -3.816 -11.756  -3.975
    2    H2   THR   1           H2       THR   1  -3.035 -11.807  -2.489
    3    H3   THR   1           H3       THR   1  -2.306 -10.975  -3.765
    4    HA   THR   1           HA       THR   1  -4.290  -9.474  -3.656
    5    HB   THR   1           HB       THR   1  -5.322  -9.700  -1.270
    6    HG1  THR   1           HG1      THR   1  -5.437 -12.008  -0.716
    7   HG21  THR   1          HG21      THR   1  -7.119 -11.141  -2.137
    8   HG22  THR   1          HG22      THR   1  -6.074 -11.665  -3.453
    9   HG23  THR   1          HG23      THR   1  -6.604  -9.987  -3.366
   10    H    ALA   2           H        ALA   2  -4.190  -7.647  -2.179
   11    HA   ALA   2           HA       ALA   2  -1.548  -7.233  -1.166
   12    HB1  ALA   2           HB1      ALA   2  -2.709  -5.430  -2.308
   13    HB2  ALA   2           HB2      ALA   2  -2.367  -4.972  -0.638
   14    HB3  ALA   2           HB3      ALA   2  -4.002  -5.456  -1.106
   15    H    SER   3           H        SER   3  -1.072  -6.815   1.014
   16    HA   SER   3           HA       SER   3  -2.758  -8.435   2.716
   17    HB2  SER   3           HB2      SER   3  -0.629  -8.719   3.970
   18    HB3  SER   3           HB3      SER   3  -0.599  -9.326   2.310
   19    H    HIS   4           H        HIS   4  -2.956  -7.842   4.920
   20    HA   HIS   4           HA       HIS   4  -3.656  -5.120   5.317
   21    HB2  HIS   4           HB2      HIS   4  -4.632  -7.235   6.488
   22    HB3  HIS   4           HB3      HIS   4  -3.200  -7.167   7.492
   23    HD1  HIS   4           HD1      HIS   4  -5.499  -6.944   9.189
   24    HD2  HIS   4           HD2      HIS   4  -4.186  -3.600   7.115
   25    HE1  HIS   4           HE1      HIS   4  -6.489  -4.993  10.381
   26    HE2  HIS   4           HE2      HIS   4  -6.005  -3.071   8.871
   27    H    TYR   5           H        TYR   5  -2.355  -3.538   5.856
   28    HA   TYR   5           HA       TYR   5  -0.744  -2.311   6.789
   29    HB2  TYR   5           HB2      TYR   5   0.339  -4.865   8.009
   30    HB3  TYR   5           HB3      TYR   5   1.054  -3.283   8.260
   31    HD1  TYR   5           HD1      TYR   5  -0.355  -1.509   9.392
   32    HD2  TYR   5           HD2      TYR   5  -1.448  -5.620   9.331
   33    HE1  TYR   5           HE1      TYR   5  -1.812  -1.145  11.324
   34    HE2  TYR   5           HE2      TYR   5  -2.918  -5.261  11.267
   35    HH   TYR   5           HH       TYR   5  -2.933  -3.565  13.201
   36    H    GLY   6           H        GLY   6  -0.479  -4.439   4.424
   37    HA2  GLY   6           HA2      GLY   6   2.322  -3.879   3.838
   38    HA3  GLY   6           HA3      GLY   6   1.259  -4.993   2.973
   39    H    GLN   7           H        GLN   7   2.667  -3.359   1.433
   40    HA   GLN   7           HA       GLN   7   1.206  -0.937   0.931
   41    HB2  GLN   7           HB2      GLN   7   3.663  -1.106   0.582
   42    HB3  GLN   7           HB3      GLN   7   3.392  -2.290  -0.678
   43    HG2  GLN   7           HG2      GLN   7   2.252  -0.596  -2.023
   44    HG3  GLN   7           HG3      GLN   7   2.494   0.595  -0.747
   45   HE21  GLN   7          HE21      GLN   7   3.837   1.979  -2.059
   46   HE22  GLN   7          HE22      GLN   7   5.396   1.464  -2.496
   47    H    CYS   8           H        CYS   8  -0.411  -0.744  -0.458
   48    HA   CYS   8           HA       CYS   8  -1.209  -3.199  -1.876
   49    HB2  CYS   8           HB2      CYS   8  -3.490  -2.325  -1.708
   50    HB3  CYS   8           HB3      CYS   8  -2.718  -2.654  -0.152
   51    H    GLY   9           H        GLY   9  -0.591   0.213  -2.375
   52    HA2  GLY   9           HA2      GLY   9  -0.689  -0.109  -5.203
   53    HA3  GLY   9           HA3      GLY   9  -2.193   0.576  -4.602
   54    H    GLY  10           H        GLY  10   1.267   1.045  -4.206
   55    HA2  GLY  10           HA2      GLY  10   0.744   3.940  -4.246
   56    HA3  GLY  10           HA3      GLY  10   2.184   3.188  -3.550
   57    H    ILE  11           H        ILE  11   2.402   5.209  -5.426
   58    HA   ILE  11           HA       ILE  11   2.727   4.327  -8.063
   59    HB   ILE  11           HB       ILE  11   4.368   6.455  -6.640
   60   HG12  ILE  11          HG12      ILE  11   1.835   6.755  -8.279
   61   HG13  ILE  11          HG13      ILE  11   1.912   6.846  -6.523
   62   HG21  ILE  11          HG21      ILE  11   3.836   6.009  -9.580
   63   HG22  ILE  11          HG22      ILE  11   5.353   5.701  -8.743
   64   HG23  ILE  11          HG23      ILE  11   4.755   7.357  -8.896
   65   HD11  ILE  11          HD11      ILE  11   3.244   8.723  -8.468
   66   HD12  ILE  11          HD12      ILE  11   3.371   8.812  -6.713
   67   HD13  ILE  11          HD13      ILE  11   1.812   9.067  -7.493
   68    H    GLY  12           H        GLY  12   4.016   2.809  -8.820
   69    HA2  GLY  12           HA2      GLY  12   6.165   1.951  -9.286
   70    HA3  GLY  12           HA3      GLY  12   6.719   2.553  -7.734
   71    H    TYR  13           H        TYR  13   3.847   1.230  -7.045
   72    HA   TYR  13           HA       TYR  13   5.093  -1.288  -6.315
   73    HB2  TYR  13           HB2      TYR  13   3.905  -0.182  -4.509
   74    HB3  TYR  13           HB3      TYR  13   2.444  -0.075  -5.481
   75    HD1  TYR  13           HD1      TYR  13   0.809  -1.680  -5.212
   76    HD2  TYR  13           HD2      TYR  13   4.781  -2.634  -4.041
   77    HE1  TYR  13           HE1      TYR  13   0.023  -3.811  -4.298
   78    HE2  TYR  13           HE2      TYR  13   3.997  -4.780  -3.113
   79    HH   TYR  13           HH       TYR  13   0.701  -5.844  -3.647
   80    H    SER  14           H        SER  14   5.039  -2.764  -7.757
   81    HA   SER  14           HA       SER  14   2.796  -2.932  -9.597
   82    HB2  SER  14           HB2      SER  14   4.645  -4.409 -10.785
   83    HB3  SER  14           HB3      SER  14   4.654  -2.650 -10.914
   84    HG   SER  14           HG       SER  14   6.364  -2.555  -9.787
   85    H    GLY  15           H        GLY  15   2.914  -4.007  -6.855
   86    HA2  GLY  15           HA2      GLY  15   2.750  -6.887  -7.372
   87    HA3  GLY  15           HA3      GLY  15   2.685  -6.130  -5.779
   88    HA   PRO  16           HA       PRO  16  -1.649  -7.448  -6.916
   89    HB2  PRO  16           HB2      PRO  16  -2.076  -8.214  -4.297
   90    HB3  PRO  16           HB3      PRO  16  -1.500  -9.311  -5.559
   91    HG2  PRO  16           HG2      PRO  16   0.115  -7.682  -3.611
   92    HG3  PRO  16           HG3      PRO  16   0.251  -9.437  -3.940
   93    HD2  PRO  16           HD2      PRO  16   1.935  -7.804  -5.003
   94    HD3  PRO  16           HD3      PRO  16   1.158  -8.982  -6.079
   95    H    THR  17           H        THR  17  -3.117  -5.860  -6.830
   96    HA   THR  17           HA       THR  17  -2.806  -3.704  -4.872
   97    HB   THR  17           HB       THR  17  -4.377  -2.558  -6.584
   98    HG1  THR  17           HG1      THR  17  -4.873  -3.753  -8.246
   99   HG21  THR  17          HG21      THR  17  -1.999  -1.962  -6.311
  100   HG22  THR  17          HG22      THR  17  -2.455  -1.937  -8.014
  101   HG23  THR  17          HG23      THR  17  -1.537  -3.295  -7.367
  102    H    VAL  18           H        VAL  18  -4.901  -6.266  -5.795
  103    HA   VAL  18           HA       VAL  18  -7.265  -5.159  -4.551
  104    HB   VAL  18           HB       VAL  18  -6.696  -7.996  -5.496
  105   HG11  VAL  18          HG11      VAL  18  -9.126  -8.289  -5.484
  106   HG12  VAL  18          HG12      VAL  18  -9.312  -6.667  -4.827
  107   HG13  VAL  18          HG13      VAL  18  -8.512  -7.917  -3.871
  108   HG21  VAL  18          HG21      VAL  18  -6.577  -6.387  -7.330
  109   HG22  VAL  18          HG22      VAL  18  -8.170  -5.770  -6.886
  110   HG23  VAL  18          HG23      VAL  18  -7.997  -7.425  -7.468
  111    H    CYS  19           H        CYS  19  -7.588  -5.237  -2.433
  112    HA   CYS  19           HA       CYS  19  -5.730  -6.554  -0.703
  113    HB2  CYS  19           HB2      CYS  19  -8.154  -4.868  -0.205
  114    HB3  CYS  19           HB3      CYS  19  -7.288  -5.688   1.093
  115    H    ALA  20           H        ALA  20  -6.657  -7.660   1.315
  116    HA   ALA  20           HA       ALA  20  -8.094  -9.990   0.454
  117    HB1  ALA  20           HB1      ALA  20  -6.100 -10.199   1.879
  118    HB2  ALA  20           HB2      ALA  20  -7.528 -10.834   2.700
  119    HB3  ALA  20           HB3      ALA  20  -6.892  -9.247   3.128
  120    H    SER  21           H        SER  21  -9.884 -10.806   1.907
  121    HA   SER  21           HA       SER  21 -12.049  -9.085   1.982
  122    HB2  SER  21           HB2      SER  21 -11.682 -11.542   3.684
  123    HB3  SER  21           HB3      SER  21 -13.194 -10.881   3.053
  124    HG   SER  21           HG       SER  21 -11.634 -12.667   1.978
  125    H    GLY  22           H        GLY  22 -12.321  -7.365   3.258
  126    HA2  GLY  22           HA2      GLY  22 -12.966  -6.614   5.436
  127    HA3  GLY  22           HA3      GLY  22 -11.716  -7.644   6.118
  128    H    THR  23           H        THR  23 -10.102  -6.532   3.661
  129    HA   THR  23           HA       THR  23  -9.210  -4.175   5.161
  130    HB   THR  23           HB       THR  23  -6.926  -4.630   4.134
  131    HG1  THR  23           HG1      THR  23  -8.366  -6.570   2.877
  132   HG21  THR  23          HG21      THR  23  -8.115  -6.787   5.878
  133   HG22  THR  23          HG22      THR  23  -7.449  -5.254   6.441
  134   HG23  THR  23          HG23      THR  23  -6.395  -6.451   5.684
  135    H    THR  24           H        THR  24  -8.491  -2.308   4.001
  136    HA   THR  24           HA       THR  24  -9.390  -2.227   1.214
  137    HB   THR  24           HB       THR  24 -10.124   0.150   1.667
  138    HG1  THR  24           HG1      THR  24  -9.341  -0.598   4.233
  139   HG21  THR  24          HG21      THR  24 -11.587  -2.014   3.185
  140   HG22  THR  24          HG22      THR  24 -11.786  -1.634   1.473
  141   HG23  THR  24          HG23      THR  24 -12.277  -0.468   2.700
  142    H    CYS  25           H        CYS  25  -8.078  -1.082  -0.151
  143    HA   CYS  25           HA       CYS  25  -5.420  -0.535   0.746
  144    HB2  CYS  25           HB2      CYS  25  -5.917  -1.420  -1.529
  145    HB3  CYS  25           HB3      CYS  25  -6.732   0.100  -1.900
  146    H    GLN  26           H        GLN  26  -4.987   1.261   1.916
  147    HA   GLN  26           HA       GLN  26  -6.483   3.623   1.204
  148    HB2  GLN  26           HB2      GLN  26  -5.222   2.792   3.799
  149    HB3  GLN  26           HB3      GLN  26  -6.005   4.348   3.524
  150    HG2  GLN  26           HG2      GLN  26  -8.107   3.118   2.997
  151    HG3  GLN  26           HG3      GLN  26  -7.283   1.619   3.404
  152   HE21  GLN  26          HE21      GLN  26  -8.724   1.154   5.030
  153   HE22  GLN  26          HE22      GLN  26  -8.727   1.995   6.535
  154    H    VAL  27           H        VAL  27  -5.409   5.120   0.250
  155    HA   VAL  27           HA       VAL  27  -2.568   4.941  -0.113
  156    HB   VAL  27           HB       VAL  27  -4.553   7.033  -1.072
  157   HG11  VAL  27          HG11      VAL  27  -2.302   7.921  -1.043
  158   HG12  VAL  27          HG12      VAL  27  -2.814   7.637  -2.711
  159   HG13  VAL  27          HG13      VAL  27  -1.711   6.511  -1.912
  160   HG21  VAL  27          HG21      VAL  27  -5.053   4.816  -1.967
  161   HG22  VAL  27          HG22      VAL  27  -3.384   4.654  -2.516
  162   HG23  VAL  27          HG23      VAL  27  -4.431   5.877  -3.230
  163    H    LEU  28           H        LEU  28  -1.295   5.624   1.412
  164    HA   LEU  28           HA       LEU  28  -2.174   7.663   3.297
  165    HB2  LEU  28           HB2      LEU  28   0.408   6.085   3.221
  166    HB3  LEU  28           HB3      LEU  28  -0.143   7.091   4.541
  167    HG   LEU  28           HG       LEU  28  -1.417   4.501   3.642
  168   HD11  LEU  28          HD11      LEU  28   0.177   5.215   6.089
  169   HD12  LEU  28          HD12      LEU  28   0.677   4.161   4.760
  170   HD13  LEU  28          HD13      LEU  28  -0.649   3.680   5.820
  171   HD21  LEU  28          HD21      LEU  28  -3.096   6.022   4.519
  172   HD22  LEU  28          HD22      LEU  28  -2.064   6.310   5.934
  173   HD23  LEU  28          HD23      LEU  28  -2.756   4.710   5.664
  174    H    ASN  29           H        ASN  29   0.479   6.964   1.142
  175    HA   ASN  29           HA       ASN  29   0.957   9.823   0.714
  176    HB2  ASN  29           HB2      ASN  29   2.987   7.543   0.862
  177    HB3  ASN  29           HB3      ASN  29   3.336   9.162   0.273
  178   HD21  ASN  29          HD21      ASN  29   4.500   7.641   2.495
  179   HD22  ASN  29          HD22      ASN  29   4.306   8.631   3.881
  180    HA   PRO  30           HA       PRO  30   0.306   8.552  -3.488
  181    HB2  PRO  30           HB2      PRO  30   2.681   9.501  -4.708
  182    HB3  PRO  30           HB3      PRO  30   1.086  10.232  -4.760
  183    HG2  PRO  30           HG2      PRO  30   3.354  11.186  -3.394
  184    HG3  PRO  30           HG3      PRO  30   1.705  11.825  -3.270
  185    HD2  PRO  30           HD2      PRO  30   3.251  10.240  -1.396
  186    HD3  PRO  30           HD3      PRO  30   1.739  11.092  -1.099
  187    H    TYR  31           H        TYR  31   3.595   7.992  -2.339
  188    HA   TYR  31           HA       TYR  31   3.743   5.725  -4.139
  189    HB2  TYR  31           HB2      TYR  31   5.798   7.002  -2.339
  190    HB3  TYR  31           HB3      TYR  31   6.086   5.468  -3.149
  191    HD1  TYR  31           HD1      TYR  31   4.756   8.849  -4.121
  192    HD2  TYR  31           HD2      TYR  31   7.381   5.636  -5.035
  193    HE1  TYR  31           HE1      TYR  31   5.513  10.046  -6.119
  194    HE2  TYR  31           HE2      TYR  31   8.151   6.827  -7.038
  195    HH   TYR  31           HH       TYR  31   7.376   8.520  -8.542
  196    H    TYR  32           H        TYR  32   3.231   6.406  -0.740
  197    HA   TYR  32           HA       TYR  32   3.333   3.526  -0.306
  198    HB2  TYR  32           HB2      TYR  32   4.790   4.829   1.204
  199    HB3  TYR  32           HB3      TYR  32   3.368   5.648   1.844
  200    HD1  TYR  32           HD1      TYR  32   4.599   2.165   1.260
  201    HD2  TYR  32           HD2      TYR  32   2.455   4.812   3.815
  202    HE1  TYR  32           HE1      TYR  32   4.323   0.348   2.897
  203    HE2  TYR  32           HE2      TYR  32   2.170   3.011   5.453
  204    HH   TYR  32           HH       TYR  32   2.244   0.689   5.652
  205    H    SER  33           H        SER  33   1.514   2.542  -0.452
  206    HA   SER  33           HA       SER  33  -0.832   3.770   0.792
  207    HB2  SER  33           HB2      SER  33  -0.854   1.967  -1.666
  208    HB3  SER  33           HB3      SER  33  -2.227   2.799  -0.936
  209    HG   SER  33           HG       SER  33  -1.147   3.798  -2.845
  210    H    GLN  34           H        GLN  34  -1.741   2.458   2.287
  211    HA   GLN  34           HA       GLN  34  -0.564  -0.209   2.536
  212    HB2  GLN  34           HB2      GLN  34   0.401   1.150   4.242
  213    HB3  GLN  34           HB3      GLN  34  -1.144   1.881   4.624
  214    HG2  GLN  34           HG2      GLN  34  -1.921  -0.168   5.613
  215    HG3  GLN  34           HG3      GLN  34  -0.455  -1.003   5.096
  216   HE21  GLN  34          HE21      GLN  34   1.382  -0.826   6.312
  217   HE22  GLN  34          HE22      GLN  34   1.415   0.048   7.806
  218    H    CYS  35           H        CYS  35  -1.940  -1.845   2.934
  219    HA   CYS  35           HA       CYS  35  -4.736  -1.199   2.627
  220    HB2  CYS  35           HB2      CYS  35  -3.627  -3.213   1.489
  221    HB3  CYS  35           HB3      CYS  35  -3.619  -3.954   3.080
  222    H    LEU  36           H        LEU  36  -6.058  -0.911   4.199
  223    HA   LEU  36           HA       LEU  36  -5.451  -1.970   6.841
  224    HB2  LEU  36           HB2      LEU  36  -6.597   0.729   6.118
  225    HB3  LEU  36           HB3      LEU  36  -6.497   0.091   7.744
  226    HG   LEU  36           HG       LEU  36  -4.127   0.709   5.980
  227   HD11  LEU  36          HD11      LEU  36  -3.745   2.575   7.528
  228   HD12  LEU  36          HD12      LEU  36  -5.271   2.204   8.336
  229   HD13  LEU  36          HD13      LEU  36  -5.268   2.738   6.655
  230   HD21  LEU  36          HD21      LEU  36  -2.829   0.377   8.038
  231   HD22  LEU  36          HD22      LEU  36  -3.664  -1.093   7.549
  232   HD23  LEU  36          HD23      LEU  36  -4.299  -0.116   8.876
  233    H1   MAN 101           H1       MAN 101   1.722  -9.103   3.190
  234    H2   MAN 101           H2       MAN 101   2.684  -6.481   2.930
  235    H3   MAN 101           H3       MAN 101   4.330  -6.465   1.279
  236    H4   MAN 101           H4       MAN 101   3.127  -6.800  -0.843
  237    H5   MAN 101           H5       MAN 101   0.537  -7.621  -0.030
  238    H61  MAN 101           H61      MAN 101   1.624  -8.213  -2.147
  239    H62  MAN 101           H62      MAN 101   0.915  -9.644  -1.353
  240    HO2  MAN 101           HO2      MAN 101   4.656  -7.616   3.416
  241    HO3  MAN 101           HO3      MAN 101   4.889  -8.688   1.591
  242    HO4  MAN 101           HO4      MAN 101   1.426  -5.390  -0.285
  243    HO6  MAN 101           HO6      MAN 101   3.408  -9.397  -0.448
  Start of MODEL    7
    1    H1   THR   1           H1       THR   1  -2.287 -11.879  -1.563
    2    H2   THR   1           H2       THR   1  -1.456 -11.243  -2.888
    3    H3   THR   1           H3       THR   1  -2.876 -12.141  -3.121
    4    HA   THR   1           HA       THR   1  -3.283  -9.813  -3.367
    5    HB   THR   1           HB       THR   1  -5.051  -9.646  -1.499
    6    HG1  THR   1           HG1      THR   1  -5.420 -11.643  -0.391
    7   HG21  THR   1          HG21      THR   1  -5.582 -10.512  -3.737
    8   HG22  THR   1          HG22      THR   1  -6.474 -11.372  -2.485
    9   HG23  THR   1          HG23      THR   1  -5.063 -12.124  -3.233
   10    H    ALA   2           H        ALA   2  -3.807  -7.851  -1.934
   11    HA   ALA   2           HA       ALA   2  -1.399  -7.157  -0.534
   12    HB1  ALA   2           HB1      ALA   2  -3.910  -5.560  -1.100
   13    HB2  ALA   2           HB2      ALA   2  -2.423  -5.534  -2.045
   14    HB3  ALA   2           HB3      ALA   2  -2.426  -4.924  -0.390
   15    H    SER   3           H        SER   3  -1.197  -7.736   1.425
   16    HA   SER   3           HA       SER   3  -3.357  -8.603   3.048
   17    HB2  SER   3           HB2      SER   3  -1.403  -8.925   4.662
   18    HB3  SER   3           HB3      SER   3  -1.412  -9.894   3.191
   19    H    HIS   4           H        HIS   4  -3.552  -7.909   5.278
   20    HA   HIS   4           HA       HIS   4  -4.019  -5.137   5.533
   21    HB2  HIS   4           HB2      HIS   4  -5.102  -7.132   6.786
   22    HB3  HIS   4           HB3      HIS   4  -3.684  -7.086   7.818
   23    HD1  HIS   4           HD1      HIS   4  -6.087  -6.709   9.332
   24    HD2  HIS   4           HD2      HIS   4  -4.389  -3.493   7.354
   25    HE1  HIS   4           HE1      HIS   4  -7.037  -4.660  10.449
   26    HE2  HIS   4           HE2      HIS   4  -5.933  -2.730   9.319
   27    H    TYR   5           H        TYR   5  -2.583  -3.626   5.910
   28    HA   TYR   5           HA       TYR   5  -0.875  -2.458   6.706
   29    HB2  TYR   5           HB2      TYR   5  -0.023  -4.966   8.174
   30    HB3  TYR   5           HB3      TYR   5   0.926  -3.486   8.199
   31    HD1  TYR   5           HD1      TYR   5  -2.046  -5.171   9.457
   32    HD2  TYR   5           HD2      TYR   5   0.058  -1.482   9.319
   33    HE1  TYR   5           HE1      TYR   5  -3.392  -4.338  11.331
   34    HE2  TYR   5           HE2      TYR   5  -1.284  -0.641  11.199
   35    HH   TYR   5           HH       TYR   5  -3.249  -2.684  13.064
   36    H    GLY   6           H        GLY   6  -0.902  -4.603   4.441
   37    HA2  GLY   6           HA2      GLY   6   1.906  -4.312   3.709
   38    HA3  GLY   6           HA3      GLY   6   0.716  -5.337   2.911
   39    H    GLN   7           H        GLN   7   2.359  -3.533   1.524
   40    HA   GLN   7           HA       GLN   7   0.938  -1.122   0.976
   41    HB2  GLN   7           HB2      GLN   7   3.389  -1.372   0.618
   42    HB3  GLN   7           HB3      GLN   7   3.073  -2.531  -0.659
   43    HG2  GLN   7           HG2      GLN   7   1.965  -0.744  -1.960
   44    HG3  GLN   7           HG3      GLN   7   2.347   0.396  -0.666
   45   HE21  GLN   7          HE21      GLN   7   3.691   1.691  -2.122
   46   HE22  GLN   7          HE22      GLN   7   5.208   1.073  -2.582
   47    H    CYS   8           H        CYS   8  -0.544  -0.736  -0.624
   48    HA   CYS   8           HA       CYS   8  -1.513  -3.148  -2.054
   49    HB2  CYS   8           HB2      CYS   8  -3.754  -2.259  -1.733
   50    HB3  CYS   8           HB3      CYS   8  -2.922  -2.667  -0.224
   51    H    GLY   9           H        GLY   9  -0.350  -0.010  -2.657
   52    HA2  GLY   9           HA2      GLY   9  -0.791  -0.051  -5.383
   53    HA3  GLY   9           HA3      GLY   9  -2.274   0.564  -4.687
   54    H    GLY  10           H        GLY  10   1.187   1.128  -4.544
   55    HA2  GLY  10           HA2      GLY  10   0.592   4.004  -4.311
   56    HA3  GLY  10           HA3      GLY  10   2.109   3.242  -3.845
   57    H    ILE  11           H        ILE  11   2.155   5.386  -5.561
   58    HA   ILE  11           HA       ILE  11   2.151   4.671  -8.292
   59    HB   ILE  11           HB       ILE  11   3.805   6.814  -6.918
   60   HG12  ILE  11          HG12      ILE  11   1.149   7.048  -8.362
   61   HG13  ILE  11          HG13      ILE  11   1.351   7.075  -6.615
   62   HG21  ILE  11          HG21      ILE  11   3.121   6.464  -9.846
   63   HG22  ILE  11          HG22      ILE  11   4.711   6.263  -9.115
   64   HG23  ILE  11          HG23      ILE  11   3.955   7.860  -9.153
   65   HD11  ILE  11          HD11      ILE  11   1.071   9.327  -7.497
   66   HD12  ILE  11          HD12      ILE  11   2.453   9.093  -8.563
   67   HD13  ILE  11          HD13      ILE  11   2.686   9.124  -6.818
   68    H    GLY  12           H        GLY  12   3.420   3.302  -9.327
   69    HA2  GLY  12           HA2      GLY  12   5.463   2.452 -10.093
   70    HA3  GLY  12           HA3      GLY  12   6.261   3.186  -8.711
   71    H    TYR  13           H        TYR  13   3.472   1.488  -7.904
   72    HA   TYR  13           HA       TYR  13   5.091  -0.734  -6.928
   73    HB2  TYR  13           HB2      TYR  13   3.917   0.390  -5.175
   74    HB3  TYR  13           HB3      TYR  13   2.402   0.330  -6.048
   75    HD1  TYR  13           HD1      TYR  13   4.985  -2.141  -4.916
   76    HD2  TYR  13           HD2      TYR  13   0.886  -1.105  -5.150
   77    HE1  TYR  13           HE1      TYR  13   4.399  -4.183  -3.669
   78    HE2  TYR  13           HE2      TYR  13   0.291  -3.135  -3.916
   79    HH   TYR  13           HH       TYR  13   1.103  -5.183  -3.321
   80    H    SER  14           H        SER  14   5.103  -2.470  -8.120
   81    HA   SER  14           HA       SER  14   2.943  -2.991  -9.989
   82    HB2  SER  14           HB2      SER  14   4.718  -4.531 -10.959
   83    HB3  SER  14           HB3      SER  14   5.055  -2.801 -11.025
   84    HG   SER  14           HG       SER  14   6.855  -3.753 -10.280
   85    H    GLY  15           H        GLY  15   3.419  -3.811  -6.955
   86    HA2  GLY  15           HA2      GLY  15   3.249  -6.712  -7.132
   87    HA3  GLY  15           HA3      GLY  15   3.225  -5.773  -5.647
   88    HA   PRO  16           HA       PRO  16  -1.049  -7.519  -6.247
   89    HB2  PRO  16           HB2      PRO  16  -1.276  -7.796  -3.497
   90    HB3  PRO  16           HB3      PRO  16  -0.730  -9.077  -4.589
   91    HG2  PRO  16           HG2      PRO  16   0.932  -7.086  -3.050
   92    HG3  PRO  16           HG3      PRO  16   1.147  -8.862  -3.144
   93    HD2  PRO  16           HD2      PRO  16   2.641  -7.288  -4.542
   94    HD3  PRO  16           HD3      PRO  16   1.901  -8.683  -5.356
   95    H    THR  17           H        THR  17  -2.443  -5.897  -6.585
   96    HA   THR  17           HA       THR  17  -2.508  -3.633  -4.719
   97    HB   THR  17           HB       THR  17  -3.817  -2.536  -6.606
   98    HG1  THR  17           HG1      THR  17  -3.211  -3.603  -8.701
   99   HG21  THR  17          HG21      THR  17  -0.977  -3.408  -7.200
  100   HG22  THR  17          HG22      THR  17  -1.445  -2.025  -6.214
  101   HG23  THR  17          HG23      THR  17  -1.801  -2.034  -7.940
  102    H    VAL  18           H        VAL  18  -4.037  -6.458  -5.313
  103    HA   VAL  18           HA       VAL  18  -6.718  -5.484  -4.707
  104    HB   VAL  18           HB       VAL  18  -5.735  -8.247  -5.484
  105   HG11  VAL  18          HG11      VAL  18  -8.088  -8.786  -5.818
  106   HG12  VAL  18          HG12      VAL  18  -8.529  -7.192  -5.203
  107   HG13  VAL  18          HG13      VAL  18  -7.739  -8.357  -4.142
  108   HG21  VAL  18          HG21      VAL  18  -7.166  -6.148  -7.094
  109   HG22  VAL  18          HG22      VAL  18  -6.815  -7.789  -7.633
  110   HG23  VAL  18          HG23      VAL  18  -5.493  -6.665  -7.303
  111    H    CYS  19           H        CYS  19  -7.267  -5.420  -2.628
  112    HA   CYS  19           HA       CYS  19  -5.677  -6.732  -0.625
  113    HB2  CYS  19           HB2      CYS  19  -8.121  -4.968  -0.448
  114    HB3  CYS  19           HB3      CYS  19  -7.360  -5.718   0.953
  115    H    ALA  20           H        ALA  20  -7.098  -7.652   1.313
  116    HA   ALA  20           HA       ALA  20  -8.463  -9.981   0.227
  117    HB1  ALA  20           HB1      ALA  20  -8.074 -10.921   2.464
  118    HB2  ALA  20           HB2      ALA  20  -7.375  -9.388   2.984
  119    HB3  ALA  20           HB3      ALA  20  -6.572 -10.348   1.741
  120    H    SER  21           H        SER  21 -10.189 -10.752   2.049
  121    HA   SER  21           HA       SER  21 -12.281  -8.840   1.966
  122    HB2  SER  21           HB2      SER  21 -12.157 -11.421   3.551
  123    HB3  SER  21           HB3      SER  21 -13.597 -10.572   2.991
  124    HG   SER  21           HG       SER  21 -12.243 -12.442   1.744
  125    H    GLY  22           H        GLY  22 -12.606  -7.221   3.403
  126    HA2  GLY  22           HA2      GLY  22 -12.945  -6.369   5.547
  127    HA3  GLY  22           HA3      GLY  22 -11.948  -7.662   6.197
  128    H    THR  23           H        THR  23 -10.748  -6.007   3.449
  129    HA   THR  23           HA       THR  23  -9.166  -4.198   5.064
  130    HB   THR  23           HB       THR  23  -7.099  -4.831   3.746
  131    HG1  THR  23           HG1      THR  23  -8.839  -6.657   2.731
  132   HG21  THR  23          HG21      THR  23  -7.285  -5.439   6.092
  133   HG22  THR  23          HG22      THR  23  -6.496  -6.736   5.194
  134   HG23  THR  23          HG23      THR  23  -8.189  -6.893   5.664
  135    H    THR  24           H        THR  24  -8.484  -2.392   3.961
  136    HA   THR  24           HA       THR  24  -9.400  -2.155   1.200
  137    HB   THR  24           HB       THR  24 -10.160   0.227   1.830
  138    HG1  THR  24           HG1      THR  24  -9.307  -0.315   4.221
  139   HG21  THR  24          HG21      THR  24 -12.411  -0.558   2.452
  140   HG22  THR  24          HG22      THR  24 -11.749  -2.159   2.787
  141   HG23  THR  24          HG23      THR  24 -11.721  -1.518   1.142
  142    H    CYS  25           H        CYS  25  -8.186  -0.855  -0.111
  143    HA   CYS  25           HA       CYS  25  -5.510  -0.397   0.744
  144    HB2  CYS  25           HB2      CYS  25  -6.197  -1.088  -1.591
  145    HB3  CYS  25           HB3      CYS  25  -6.837   0.549  -1.778
  146    H    GLN  26           H        GLN  26  -4.925   1.307   1.947
  147    HA   GLN  26           HA       GLN  26  -6.368   3.786   1.501
  148    HB2  GLN  26           HB2      GLN  26  -4.885   2.771   3.898
  149    HB3  GLN  26           HB3      GLN  26  -5.525   4.401   3.783
  150    HG2  GLN  26           HG2      GLN  26  -7.794   3.291   3.435
  151    HG3  GLN  26           HG3      GLN  26  -7.009   1.790   3.926
  152   HE21  GLN  26          HE21      GLN  26  -8.177   1.542   5.810
  153   HE22  GLN  26          HE22      GLN  26  -7.993   2.610   7.151
  154    H    VAL  27           H        VAL  27  -5.247   5.377   0.605
  155    HA   VAL  27           HA       VAL  27  -2.437   4.997   0.085
  156    HB   VAL  27           HB       VAL  27  -4.317   7.245  -0.731
  157   HG11  VAL  27          HG11      VAL  27  -1.498   6.690  -1.659
  158   HG12  VAL  27          HG12      VAL  27  -2.002   8.041  -0.647
  159   HG13  VAL  27          HG13      VAL  27  -2.569   7.928  -2.313
  160   HG21  VAL  27          HG21      VAL  27  -4.866   5.097  -1.764
  161   HG22  VAL  27          HG22      VAL  27  -3.204   4.940  -2.333
  162   HG23  VAL  27          HG23      VAL  27  -4.228   6.228  -2.958
  163    H    LEU  28           H        LEU  28  -1.077   5.458   1.638
  164    HA   LEU  28           HA       LEU  28  -1.697   7.430   3.689
  165    HB2  LEU  28           HB2      LEU  28   0.822   5.815   3.303
  166    HB3  LEU  28           HB3      LEU  28   0.364   6.695   4.744
  167    HG   LEU  28           HG       LEU  28  -0.859   4.154   3.677
  168   HD11  LEU  28          HD11      LEU  28  -0.055   3.218   5.775
  169   HD12  LEU  28          HD12      LEU  28   0.631   4.782   6.207
  170   HD13  LEU  28          HD13      LEU  28   1.271   3.891   4.826
  171   HD21  LEU  28          HD21      LEU  28  -2.251   4.158   5.657
  172   HD22  LEU  28          HD22      LEU  28  -2.626   5.545   4.621
  173   HD23  LEU  28          HD23      LEU  28  -1.661   5.760   6.092
  174    H    ASN  29           H        ASN  29   0.560   6.837   1.096
  175    HA   ASN  29           HA       ASN  29   1.233   9.645   0.910
  176    HB2  ASN  29           HB2      ASN  29   3.256   7.355   1.039
  177    HB3  ASN  29           HB3      ASN  29   3.647   9.011   0.586
  178   HD21  ASN  29          HD21      ASN  29   2.960   6.843   3.170
  179   HD22  ASN  29          HD22      ASN  29   3.294   7.904   4.470
  180    HA   PRO  30           HA       PRO  30   0.515   8.671  -3.281
  181    HB2  PRO  30           HB2      PRO  30   2.877   9.559  -4.551
  182    HB3  PRO  30           HB3      PRO  30   1.335  10.390  -4.450
  183    HG2  PRO  30           HG2      PRO  30   3.746  11.062  -3.135
  184    HG3  PRO  30           HG3      PRO  30   2.170  11.830  -2.921
  185    HD2  PRO  30           HD2      PRO  30   3.612  10.053  -1.162
  186    HD3  PRO  30           HD3      PRO  30   2.138  10.969  -0.829
  187    H    TYR  31           H        TYR  31   3.730   7.712  -2.268
  188    HA   TYR  31           HA       TYR  31   3.664   5.680  -4.358
  189    HB2  TYR  31           HB2      TYR  31   5.939   6.442  -2.510
  190    HB3  TYR  31           HB3      TYR  31   6.038   5.325  -3.866
  191    HD1  TYR  31           HD1      TYR  31   5.764   8.856  -2.894
  192    HD2  TYR  31           HD2      TYR  31   6.082   6.148  -6.152
  193    HE1  TYR  31           HE1      TYR  31   6.265  10.734  -4.391
  194    HE2  TYR  31           HE2      TYR  31   6.590   8.012  -7.659
  195    HH   TYR  31           HH       TYR  31   7.357  11.117  -6.495
  196    H    TYR  32           H        TYR  32   3.475   6.094  -0.903
  197    HA   TYR  32           HA       TYR  32   3.379   3.192  -0.647
  198    HB2  TYR  32           HB2      TYR  32   5.023   4.416   0.792
  199    HB3  TYR  32           HB3      TYR  32   3.657   5.158   1.623
  200    HD1  TYR  32           HD1      TYR  32   2.381   3.913   3.207
  201    HD2  TYR  32           HD2      TYR  32   5.412   2.009   0.941
  202    HE1  TYR  32           HE1      TYR  32   2.224   1.955   4.684
  203    HE2  TYR  32           HE2      TYR  32   5.289   0.038   2.385
  204    HH   TYR  32           HH       TYR  32   4.605  -0.397   4.754
  205    H    SER  33           H        SER  33   1.429   2.374  -0.725
  206    HA   SER  33           HA       SER  33  -0.718   3.737   0.725
  207    HB2  SER  33           HB2      SER  33  -0.985   1.970  -1.743
  208    HB3  SER  33           HB3      SER  33  -2.281   2.849  -0.939
  209    HG   SER  33           HG       SER  33  -1.258   3.829  -2.883
  210    H    GLN  34           H        GLN  34  -1.808   2.360   2.160
  211    HA   GLN  34           HA       GLN  34  -0.606  -0.312   2.387
  212    HB2  GLN  34           HB2      GLN  34   0.261   1.426   4.000
  213    HB3  GLN  34           HB3      GLN  34  -1.361   1.496   4.669
  214    HG2  GLN  34           HG2      GLN  34  -1.229  -0.843   5.278
  215    HG3  GLN  34           HG3      GLN  34   0.382  -0.949   4.574
  216   HE21  GLN  34          HE21      GLN  34   1.418  -1.473   6.433
  217   HE22  GLN  34          HE22      GLN  34   1.606  -0.382   7.752
  218    H    CYS  35           H        CYS  35  -2.014  -1.921   2.849
  219    HA   CYS  35           HA       CYS  35  -4.793  -1.249   2.541
  220    HB2  CYS  35           HB2      CYS  35  -3.635  -3.302   1.472
  221    HB3  CYS  35           HB3      CYS  35  -3.749  -4.009   3.066
  222    H    LEU  36           H        LEU  36  -5.977  -0.727   4.133
  223    HA   LEU  36           HA       LEU  36  -5.699  -2.033   6.711
  224    HB2  LEU  36           HB2      LEU  36  -6.201   0.910   6.217
  225    HB3  LEU  36           HB3      LEU  36  -6.114   0.122   7.776
  226    HG   LEU  36           HG       LEU  36  -3.777   0.366   5.883
  227   HD11  LEU  36          HD11      LEU  36  -4.498   2.562   6.595
  228   HD12  LEU  36          HD12      LEU  36  -2.984   2.120   7.387
  229   HD13  LEU  36          HD13      LEU  36  -4.506   2.032   8.276
  230   HD21  LEU  36          HD21      LEU  36  -3.583  -1.488   7.450
  231   HD22  LEU  36          HD22      LEU  36  -3.952  -0.414   8.797
  232   HD23  LEU  36          HD23      LEU  36  -2.460  -0.199   7.880
  233    H1   MAN 101           H1       MAN 101   0.930  -9.318   4.685
  234    H2   MAN 101           H2       MAN 101   2.366  -7.480   3.697
  235    H3   MAN 101           H3       MAN 101   1.881  -7.777   1.325
  236    H4   MAN 101           H4       MAN 101   3.264 -10.453   1.683
  237    H5   MAN 101           H5       MAN 101   0.320  -9.782   1.109
  238    H61  MAN 101           H61      MAN 101  -0.047 -12.205   1.379
  239    H62  MAN 101           H62      MAN 101   1.707 -12.491   1.469
  240    HO2  MAN 101           HO2      MAN 101   3.298  -9.305   4.838
  241    HO3  MAN 101           HO3      MAN 101   4.508  -8.656   2.027
  242    HO4  MAN 101           HO4      MAN 101   3.577  -9.326  -0.268
  243    HO6  MAN 101           HO6      MAN 101   1.580 -11.186  -0.670
  Start of MODEL    8
    1    H1   THR   1           H1       THR   1  -3.696 -12.031  -3.771
    2    H2   THR   1           H2       THR   1  -2.746 -12.093  -2.379
    3    H3   THR   1           H3       THR   1  -2.243 -11.153  -3.677
    4    HA   THR   1           HA       THR   1  -4.199  -9.750  -3.340
    5    HB   THR   1           HB       THR   1  -5.284 -10.080  -1.050
    6    HG1  THR   1           HG1      THR   1  -5.269 -12.491  -0.607
    7   HG21  THR   1          HG21      THR   1  -6.909 -11.692  -1.909
    8   HG22  THR   1          HG22      THR   1  -5.778 -12.173  -3.170
    9   HG23  THR   1          HG23      THR   1  -6.451 -10.541  -3.162
   10    H    ALA   2           H        ALA   2  -4.023  -7.936  -1.974
   11    HA   ALA   2           HA       ALA   2  -1.424  -7.601  -0.801
   12    HB1  ALA   2           HB1      ALA   2  -3.776  -5.700  -0.984
   13    HB2  ALA   2           HB2      ALA   2  -2.402  -5.776  -2.091
   14    HB3  ALA   2           HB3      ALA   2  -2.158  -5.278  -0.419
   15    H    SER   3           H        SER   3  -1.023  -7.304   1.349
   16    HA   SER   3           HA       SER   3  -3.014  -8.567   3.045
   17    HB2  SER   3           HB2      SER   3  -1.055  -8.965   4.550
   18    HB3  SER   3           HB3      SER   3  -0.953  -9.738   2.967
   19    H    HIS   4           H        HIS   4  -3.176  -7.884   5.276
   20    HA   HIS   4           HA       HIS   4  -3.808  -5.127   5.452
   21    HB2  HIS   4           HB2      HIS   4  -4.936  -7.100   6.643
   22    HB3  HIS   4           HB3      HIS   4  -3.569  -7.093   7.739
   23    HD1  HIS   4           HD1      HIS   4  -5.333  -6.604   9.612
   24    HD2  HIS   4           HD2      HIS   4  -4.892  -3.620   6.802
   25    HE1  HIS   4           HE1      HIS   4  -6.513  -4.622  10.575
   26    HE2  HIS   4           HE2      HIS   4  -6.647  -3.093   8.564
   27    H    TYR   5           H        TYR   5  -2.499  -3.521   5.966
   28    HA   TYR   5           HA       TYR   5  -0.856  -2.294   6.753
   29    HB2  TYR   5           HB2      TYR   5  -0.099  -4.716   8.375
   30    HB3  TYR   5           HB3      TYR   5   0.957  -3.312   8.313
   31    HD1  TYR   5           HD1      TYR   5  -2.487  -4.388   9.211
   32    HD2  TYR   5           HD2      TYR   5   0.550  -1.453   9.688
   33    HE1  TYR   5           HE1      TYR   5  -3.792  -3.337  11.008
   34    HE2  TYR   5           HE2      TYR   5  -0.743  -0.397  11.485
   35    HH   TYR   5           HH       TYR   5  -3.386  -1.921  12.948
   36    H    GLY   6           H        GLY   6  -0.666  -4.451   4.519
   37    HA2  GLY   6           HA2      GLY   6   2.162  -3.978   3.924
   38    HA3  GLY   6           HA3      GLY   6   1.100  -5.126   3.100
   39    H    GLN   7           H        GLN   7   2.614  -3.294   1.660
   40    HA   GLN   7           HA       GLN   7   1.075  -0.995   0.972
   41    HB2  GLN   7           HB2      GLN   7   3.549  -1.207   0.650
   42    HB3  GLN   7           HB3      GLN   7   3.246  -2.403  -0.599
   43    HG2  GLN   7           HG2      GLN   7   2.126  -0.716  -1.952
   44    HG3  GLN   7           HG3      GLN   7   2.394   0.484  -0.686
   45   HE21  GLN   7          HE21      GLN   7   3.696   1.827  -2.088
   46   HE22  GLN   7          HE22      GLN   7   5.260   1.291  -2.502
   47    H    CYS   8           H        CYS   8  -0.430  -0.778  -0.615
   48    HA   CYS   8           HA       CYS   8  -1.221  -3.280  -1.981
   49    HB2  CYS   8           HB2      CYS   8  -3.534  -2.449  -1.724
   50    HB3  CYS   8           HB3      CYS   8  -2.714  -2.902  -0.224
   51    H    GLY   9           H        GLY   9  -0.554   0.102  -2.499
   52    HA2  GLY   9           HA2      GLY   9  -0.897  -0.158  -5.301
   53    HA3  GLY   9           HA3      GLY   9  -2.351   0.519  -4.582
   54    H    GLY  10           H        GLY  10   1.127   1.001  -4.414
   55    HA2  GLY  10           HA2      GLY  10   0.577   3.887  -4.305
   56    HA3  GLY  10           HA3      GLY  10   2.040   3.121  -3.698
   57    H    ILE  11           H        ILE  11   2.086   5.267  -5.488
   58    HA   ILE  11           HA       ILE  11   2.407   4.454  -8.163
   59    HB   ILE  11           HB       ILE  11   3.719   6.795  -6.731
   60   HG12  ILE  11          HG12      ILE  11   1.170   6.668  -8.376
   61   HG13  ILE  11          HG13      ILE  11   1.257   6.843  -6.629
   62   HG21  ILE  11          HG21      ILE  11   3.978   7.768  -8.994
   63   HG22  ILE  11          HG22      ILE  11   3.356   6.265  -9.684
   64   HG23  ILE  11          HG23      ILE  11   4.879   6.262  -8.804
   65   HD11  ILE  11          HD11      ILE  11   2.270   8.834  -8.644
   66   HD12  ILE  11          HD12      ILE  11   2.327   9.012  -6.887
   67   HD13  ILE  11          HD13      ILE  11   0.774   8.963  -7.715
   68    H    GLY  12           H        GLY  12   3.855   3.172  -8.981
   69    HA2  GLY  12           HA2      GLY  12   6.151   2.714  -9.508
   70    HA3  GLY  12           HA3      GLY  12   6.555   3.027  -7.824
   71    H    TYR  13           H        TYR  13   4.013   1.606  -7.139
   72    HA   TYR  13           HA       TYR  13   5.192  -1.027  -6.843
   73    HB2  TYR  13           HB2      TYR  13   4.280   0.074  -4.887
   74    HB3  TYR  13           HB3      TYR  13   2.755   0.340  -5.701
   75    HD1  TYR  13           HD1      TYR  13   4.960  -2.355  -4.393
   76    HD2  TYR  13           HD2      TYR  13   1.023  -1.173  -5.437
   77    HE1  TYR  13           HE1      TYR  13   4.072  -4.386  -3.328
   78    HE2  TYR  13           HE2      TYR  13   0.128  -3.197  -4.394
   79    HH   TYR  13           HH       TYR  13   0.686  -5.230  -3.602
   80    H    SER  14           H        SER  14   4.513  -2.777  -7.967
   81    HA   SER  14           HA       SER  14   2.041  -2.547  -9.511
   82    HB2  SER  14           HB2      SER  14   3.275  -3.752 -11.371
   83    HB3  SER  14           HB3      SER  14   3.781  -2.089 -11.086
   84    HG   SER  14           HG       SER  14   5.122  -4.460 -10.738
   85    H    GLY  15           H        GLY  15   3.044  -3.945  -6.991
   86    HA2  GLY  15           HA2      GLY  15   2.843  -6.777  -7.582
   87    HA3  GLY  15           HA3      GLY  15   2.997  -6.019  -6.003
   88    HA   PRO  16           HA       PRO  16  -1.274  -7.885  -6.071
   89    HB2  PRO  16           HB2      PRO  16  -1.179  -7.843  -3.271
   90    HB3  PRO  16           HB3      PRO  16  -0.833  -9.243  -4.289
   91    HG2  PRO  16           HG2      PRO  16   1.055  -7.240  -3.106
   92    HG3  PRO  16           HG3      PRO  16   1.241  -9.009  -3.213
   93    HD2  PRO  16           HD2      PRO  16   2.556  -7.463  -4.855
   94    HD3  PRO  16           HD3      PRO  16   1.717  -8.879  -5.510
   95    H    THR  17           H        THR  17  -2.711  -6.301  -6.479
   96    HA   THR  17           HA       THR  17  -2.721  -3.895  -4.824
   97    HB   THR  17           HB       THR  17  -4.258  -3.085  -6.699
   98    HG1  THR  17           HG1      THR  17  -4.792  -4.549  -8.060
   99   HG21  THR  17          HG21      THR  17  -1.900  -2.387  -6.524
  100   HG22  THR  17          HG22      THR  17  -2.363  -2.613  -8.212
  101   HG23  THR  17          HG23      THR  17  -1.405  -3.842  -7.388
  102    H    VAL  18           H        VAL  18  -4.557  -6.740  -5.550
  103    HA   VAL  18           HA       VAL  18  -7.052  -5.642  -4.603
  104    HB   VAL  18           HB       VAL  18  -6.341  -8.531  -5.218
  105   HG11  VAL  18          HG11      VAL  18  -8.763  -8.875  -5.428
  106   HG12  VAL  18          HG12      VAL  18  -9.038  -7.206  -4.930
  107   HG13  VAL  18          HG13      VAL  18  -8.305  -8.350  -3.808
  108   HG21  VAL  18          HG21      VAL  18  -7.659  -6.480  -7.007
  109   HG22  VAL  18          HG22      VAL  18  -7.434  -8.187  -7.391
  110   HG23  VAL  18          HG23      VAL  18  -6.035  -7.133  -7.201
  111    H    CYS  19           H        CYS  19  -7.232  -5.313  -2.510
  112    HA   CYS  19           HA       CYS  19  -5.657  -6.595  -0.544
  113    HB2  CYS  19           HB2      CYS  19  -8.059  -4.815  -0.376
  114    HB3  CYS  19           HB3      CYS  19  -7.353  -5.568   1.048
  115    H    ALA  20           H        ALA  20  -6.314  -7.881   1.188
  116    HA   ALA  20           HA       ALA  20  -7.855 -10.135   0.571
  117    HB1  ALA  20           HB1      ALA  20  -6.033 -10.143   2.201
  118    HB2  ALA  20           HB2      ALA  20  -7.534 -10.679   2.960
  119    HB3  ALA  20           HB3      ALA  20  -6.943  -9.043   3.235
  120    H    SER  21           H        SER  21  -9.818 -10.824   1.769
  121    HA   SER  21           HA       SER  21 -11.862  -8.926   1.412
  122    HB2  SER  21           HB2      SER  21 -11.956 -11.570   2.861
  123    HB3  SER  21           HB3      SER  21 -13.321 -10.713   2.141
  124    HG   SER  21           HG       SER  21 -11.746 -10.891   0.163
  125    H    GLY  22           H        GLY  22 -12.249  -7.268   2.738
  126    HA2  GLY  22           HA2      GLY  22 -13.177  -6.590   4.860
  127    HA3  GLY  22           HA3      GLY  22 -12.086  -7.730   5.638
  128    H    THR  23           H        THR  23 -10.283  -6.398   3.256
  129    HA   THR  23           HA       THR  23  -9.462  -4.175   4.977
  130    HB   THR  23           HB       THR  23  -7.082  -4.578   4.107
  131    HG1  THR  23           HG1      THR  23  -8.413  -6.690   2.895
  132   HG21  THR  23          HG21      THR  23  -8.368  -6.729   5.792
  133   HG22  THR  23          HG22      THR  23  -7.729  -5.189   6.377
  134   HG23  THR  23          HG23      THR  23  -6.640  -6.397   5.696
  135    H    THR  24           H        THR  24  -8.565  -2.294   3.939
  136    HA   THR  24           HA       THR  24  -9.369  -2.076   1.138
  137    HB   THR  24           HB       THR  24 -10.009   0.325   1.772
  138    HG1  THR  24           HG1      THR  24  -9.377  -0.677   4.263
  139   HG21  THR  24          HG21      THR  24 -11.639  -1.380   1.126
  140   HG22  THR  24          HG22      THR  24 -12.275  -0.355   2.408
  141   HG23  THR  24          HG23      THR  24 -11.682  -1.977   2.785
  142    H    CYS  25           H        CYS  25  -8.046  -0.912  -0.154
  143    HA   CYS  25           HA       CYS  25  -5.401  -0.402   0.801
  144    HB2  CYS  25           HB2      CYS  25  -5.946  -1.251  -1.516
  145    HB3  CYS  25           HB3      CYS  25  -6.593   0.354  -1.871
  146    H    GLN  26           H        GLN  26  -4.843   1.455   1.860
  147    HA   GLN  26           HA       GLN  26  -6.355   3.814   1.171
  148    HB2  GLN  26           HB2      GLN  26  -5.273   2.889   3.813
  149    HB3  GLN  26           HB3      GLN  26  -5.924   4.497   3.523
  150    HG2  GLN  26           HG2      GLN  26  -8.079   3.540   2.916
  151    HG3  GLN  26           HG3      GLN  26  -7.429   1.921   3.113
  152   HE21  GLN  26          HE21      GLN  26  -8.948   1.366   4.609
  153   HE22  GLN  26          HE22      GLN  26  -8.949   2.011   6.205
  154    H    VAL  27           H        VAL  27  -5.254   5.409   0.422
  155    HA   VAL  27           HA       VAL  27  -2.429   5.234   0.054
  156    HB   VAL  27           HB       VAL  27  -4.384   7.440  -0.661
  157   HG11  VAL  27          HG11      VAL  27  -2.658   8.210  -2.222
  158   HG12  VAL  27          HG12      VAL  27  -1.541   7.010  -1.569
  159   HG13  VAL  27          HG13      VAL  27  -2.130   8.319  -0.544
  160   HG21  VAL  27          HG21      VAL  27  -4.245   6.514  -2.925
  161   HG22  VAL  27          HG22      VAL  27  -4.897   5.359  -1.763
  162   HG23  VAL  27          HG23      VAL  27  -3.229   5.207  -2.314
  163    H    LEU  28           H        LEU  28  -1.010   5.844   1.484
  164    HA   LEU  28           HA       LEU  28  -1.697   7.833   3.534
  165    HB2  LEU  28           HB2      LEU  28   0.668   5.961   3.326
  166    HB3  LEU  28           HB3      LEU  28   0.306   7.004   4.687
  167    HG   LEU  28           HG       LEU  28  -1.377   4.659   3.789
  168   HD11  LEU  28          HD11      LEU  28   0.470   5.001   6.131
  169   HD12  LEU  28          HD12      LEU  28   0.693   3.931   4.739
  170   HD13  LEU  28          HD13      LEU  28  -0.618   3.637   5.879
  171   HD21  LEU  28          HD21      LEU  28  -2.543   4.998   5.892
  172   HD22  LEU  28          HD22      LEU  28  -2.721   6.392   4.813
  173   HD23  LEU  28          HD23      LEU  28  -1.581   6.450   6.174
  174    H    ASN  29           H        ASN  29   0.727   6.969   1.149
  175    HA   ASN  29           HA       ASN  29   1.457   9.782   0.786
  176    HB2  ASN  29           HB2      ASN  29   3.351   7.380   0.722
  177    HB3  ASN  29           HB3      ASN  29   3.782   9.011   0.258
  178   HD21  ASN  29          HD21      ASN  29   5.043   7.348   2.185
  179   HD22  ASN  29          HD22      ASN  29   4.937   8.129   3.720
  180    HA   PRO  30           HA       PRO  30   0.483   8.708  -3.382
  181    HB2  PRO  30           HB2      PRO  30   2.901   9.410  -4.699
  182    HB3  PRO  30           HB3      PRO  30   1.382  10.292  -4.697
  183    HG2  PRO  30           HG2      PRO  30   3.768  11.050  -3.426
  184    HG3  PRO  30           HG3      PRO  30   2.183  11.802  -3.205
  185    HD2  PRO  30           HD2      PRO  30   3.697  10.058  -1.439
  186    HD3  PRO  30           HD3      PRO  30   2.272  11.040  -1.061
  187    H    TYR  31           H        TYR  31   3.734   7.791  -2.434
  188    HA   TYR  31           HA       TYR  31   3.683   5.595  -4.343
  189    HB2  TYR  31           HB2      TYR  31   5.838   6.210  -2.325
  190    HB3  TYR  31           HB3      TYR  31   5.974   5.250  -3.788
  191    HD1  TYR  31           HD1      TYR  31   5.914   6.415  -6.016
  192    HD2  TYR  31           HD2      TYR  31   6.135   8.540  -2.347
  193    HE1  TYR  31           HE1      TYR  31   6.686   8.403  -7.220
  194    HE2  TYR  31           HE2      TYR  31   6.896  10.536  -3.536
  195    HH   TYR  31           HH       TYR  31   6.644  10.971  -6.773
  196    H    TYR  32           H        TYR  32   3.342   6.235  -0.910
  197    HA   TYR  32           HA       TYR  32   3.286   3.357  -0.471
  198    HB2  TYR  32           HB2      TYR  32   4.848   4.617   0.970
  199    HB3  TYR  32           HB3      TYR  32   3.486   5.511   1.639
  200    HD1  TYR  32           HD1      TYR  32   4.542   1.983   1.069
  201    HD2  TYR  32           HD2      TYR  32   2.610   4.755   3.662
  202    HE1  TYR  32           HE1      TYR  32   4.260   0.215   2.748
  203    HE2  TYR  32           HE2      TYR  32   2.331   2.992   5.333
  204    HH   TYR  32           HH       TYR  32   2.292   0.653   5.524
  205    H    SER  33           H        SER  33   1.413   2.476  -0.550
  206    HA   SER  33           HA       SER  33  -0.811   3.806   0.773
  207    HB2  SER  33           HB2      SER  33  -0.972   2.160  -1.795
  208    HB3  SER  33           HB3      SER  33  -2.295   3.009  -1.004
  209    HG   SER  33           HG       SER  33  -0.596   4.890  -1.321
  210    H    GLN  34           H        GLN  34  -1.667   2.500   2.300
  211    HA   GLN  34           HA       GLN  34  -0.603  -0.232   2.427
  212    HB2  GLN  34           HB2      GLN  34   0.468   1.076   4.117
  213    HB3  GLN  34           HB3      GLN  34  -1.046   1.826   4.588
  214    HG2  GLN  34           HG2      GLN  34  -1.812  -0.265   5.541
  215    HG3  GLN  34           HG3      GLN  34  -0.351  -1.072   4.973
  216   HE21  GLN  34          HE21      GLN  34   1.508  -0.915   6.153
  217   HE22  GLN  34          HE22      GLN  34   1.608  -0.079   7.647
  218    H    CYS  35           H        CYS  35  -2.009  -1.826   2.976
  219    HA   CYS  35           HA       CYS  35  -4.787  -1.135   2.652
  220    HB2  CYS  35           HB2      CYS  35  -3.632  -3.176   1.584
  221    HB3  CYS  35           HB3      CYS  35  -3.734  -3.899   3.186
  222    H    LEU  36           H        LEU  36  -6.132  -0.802   4.232
  223    HA   LEU  36           HA       LEU  36  -5.471  -1.726   6.912
  224    HB2  LEU  36           HB2      LEU  36  -6.603   0.941   6.080
  225    HB3  LEU  36           HB3      LEU  36  -6.479   0.386   7.737
  226    HG   LEU  36           HG       LEU  36  -4.134   0.850   5.893
  227   HD11  LEU  36          HD11      LEU  36  -3.672   2.792   7.310
  228   HD12  LEU  36          HD12      LEU  36  -5.192   2.519   8.169
  229   HD13  LEU  36          HD13      LEU  36  -5.207   2.941   6.458
  230   HD21  LEU  36          HD21      LEU  36  -2.789   0.596   7.922
  231   HD22  LEU  36          HD22      LEU  36  -3.689  -0.874   7.571
  232   HD23  LEU  36          HD23      LEU  36  -4.241   0.214   8.846
  233    H1   MAN 101           H1       MAN 101   1.378  -9.354   4.485
  234    H2   MAN 101           H2       MAN 101   2.688  -7.267   4.002
  235    H3   MAN 101           H3       MAN 101   2.054  -6.960   1.668
  236    H4   MAN 101           H4       MAN 101   3.714  -9.471   1.154
  237    H5   MAN 101           H5       MAN 101   0.666  -9.020   0.941
  238    H61  MAN 101           H61      MAN 101   2.471 -11.405   0.402
  239    H62  MAN 101           H62      MAN 101   1.343 -10.628  -0.737
  240    HO2  MAN 101           HO2      MAN 101   3.722  -9.251   4.575
  241    HO3  MAN 101           HO3      MAN 101   4.215  -6.676   0.832
  242    HO4  MAN 101           HO4      MAN 101   3.742  -7.844  -0.495
  243    HO6  MAN 101           HO6      MAN 101   0.483 -11.774   1.734
  Start of MODEL    9
    1    H1   THR   1           H1       THR   1  -3.531 -11.668  -3.804
    2    H2   THR   1           H2       THR   1  -2.807 -11.760  -2.285
    3    H3   THR   1           H3       THR   1  -2.078 -10.830  -3.489
    4    HA   THR   1           HA       THR   1  -4.045  -9.370  -3.382
    5    HB   THR   1           HB       THR   1  -5.439  -9.702  -1.308
    6    HG1  THR   1           HG1      THR   1  -5.347 -11.737  -0.323
    7   HG21  THR   1          HG21      THR   1  -6.870 -11.449  -2.288
    8   HG22  THR   1          HG22      THR   1  -5.558 -11.926  -3.363
    9   HG23  THR   1          HG23      THR   1  -6.301 -10.334  -3.529
   10    H    ALA   2           H        ALA   2  -4.028  -7.615  -1.908
   11    HA   ALA   2           HA       ALA   2  -1.509  -7.332  -0.577
   12    HB1  ALA   2           HB1      ALA   2  -3.852  -5.431  -0.760
   13    HB2  ALA   2           HB2      ALA   2  -2.460  -5.465  -1.841
   14    HB3  ALA   2           HB3      ALA   2  -2.246  -5.042  -0.144
   15    H    SER   3           H        SER   3  -1.181  -7.854   1.351
   16    HA   SER   3           HA       SER   3  -3.189  -8.849   3.114
   17    HB2  SER   3           HB2      SER   3  -1.185  -9.170   4.604
   18    HB3  SER   3           HB3      SER   3  -1.062  -9.930   3.009
   19    H    HIS   4           H        HIS   4  -3.200  -8.104   5.439
   20    HA   HIS   4           HA       HIS   4  -3.967  -5.373   5.454
   21    HB2  HIS   4           HB2      HIS   4  -4.959  -7.324   6.834
   22    HB3  HIS   4           HB3      HIS   4  -3.578  -7.129   7.890
   23    HD1  HIS   4           HD1      HIS   4  -5.730  -6.667   9.582
   24    HD2  HIS   4           HD2      HIS   4  -4.780  -3.731   6.821
   25    HE1  HIS   4           HE1      HIS   4  -6.925  -4.611  10.349
   26    HE2  HIS   4           HE2      HIS   4  -6.759  -3.191   8.283
   27    H    TYR   5           H        TYR   5  -2.777  -3.660   5.927
   28    HA   TYR   5           HA       TYR   5  -1.206  -2.290   6.609
   29    HB2  TYR   5           HB2      TYR   5  -0.024  -4.555   8.231
   30    HB3  TYR   5           HB3      TYR   5   0.502  -2.883   8.303
   31    HD1  TYR   5           HD1      TYR   5  -1.857  -5.319   9.484
   32    HD2  TYR   5           HD2      TYR   5  -1.121  -1.148   9.153
   33    HE1  TYR   5           HE1      TYR   5  -3.532  -4.894  11.213
   34    HE2  TYR   5           HE2      TYR   5  -2.803  -0.714  10.891
   35    HH   TYR   5           HH       TYR   5  -4.743  -1.802  11.812
   36    H    GLY   6           H        GLY   6  -0.844  -4.556   4.474
   37    HA2  GLY   6           HA2      GLY   6   1.995  -4.122   3.980
   38    HA3  GLY   6           HA3      GLY   6   0.920  -5.179   3.064
   39    H    GLN   7           H        GLN   7   2.606  -3.438   1.744
   40    HA   GLN   7           HA       GLN   7   1.212  -1.038   1.052
   41    HB2  GLN   7           HB2      GLN   7   3.679  -1.207   0.820
   42    HB3  GLN   7           HB3      GLN   7   3.467  -2.469  -0.385
   43    HG2  GLN   7           HG2      GLN   7   2.481  -0.945  -1.921
   44    HG3  GLN   7           HG3      GLN   7   2.458   0.361  -0.746
   45   HE21  GLN   7          HE21      GLN   7   3.809   1.738  -2.056
   46   HE22  GLN   7          HE22      GLN   7   5.446   1.368  -2.307
   47    H    CYS   8           H        CYS   8  -0.454  -0.940  -0.204
   48    HA   CYS   8           HA       CYS   8  -1.190  -3.353  -1.673
   49    HB2  CYS   8           HB2      CYS   8  -3.456  -2.375  -1.684
   50    HB3  CYS   8           HB3      CYS   8  -2.782  -2.655  -0.077
   51    H    GLY   9           H        GLY   9  -0.731   0.126  -2.228
   52    HA2  GLY   9           HA2      GLY   9  -0.497  -0.318  -5.051
   53    HA3  GLY   9           HA3      GLY   9  -2.097   0.251  -4.599
   54    H    GLY  10           H        GLY  10   1.286   1.057  -4.231
   55    HA2  GLY  10           HA2      GLY  10   0.461   3.879  -4.226
   56    HA3  GLY  10           HA3      GLY  10   2.009   3.273  -3.629
   57    H    ILE  11           H        ILE  11   2.071   5.282  -5.449
   58    HA   ILE  11           HA       ILE  11   2.132   4.443  -8.136
   59    HB   ILE  11           HB       ILE  11   3.675   6.707  -6.814
   60   HG12  ILE  11          HG12      ILE  11   1.095   6.754  -8.410
   61   HG13  ILE  11          HG13      ILE  11   1.203   6.882  -6.657
   62   HG21  ILE  11          HG21      ILE  11   4.730   6.074  -8.929
   63   HG22  ILE  11          HG22      ILE  11   3.929   7.638  -9.078
   64   HG23  ILE  11          HG23      ILE  11   3.176   6.195  -9.754
   65   HD11  ILE  11          HD11      ILE  11   2.426   8.984  -6.891
   66   HD12  ILE  11          HD12      ILE  11   0.859   9.052  -7.700
   67   HD13  ILE  11          HD13      ILE  11   2.332   8.841  -8.647
   68    H    GLY  12           H        GLY  12   3.539   3.268  -9.253
   69    HA2  GLY  12           HA2      GLY  12   5.668   2.511  -9.882
   70    HA3  GLY  12           HA3      GLY  12   6.276   2.982  -8.303
   71    H    TYR  13           H        TYR  13   3.813   1.622  -7.148
   72    HA   TYR  13           HA       TYR  13   5.146  -0.885  -6.760
   73    HB2  TYR  13           HB2      TYR  13   4.155   0.238  -4.833
   74    HB3  TYR  13           HB3      TYR  13   2.573   0.198  -5.580
   75    HD1  TYR  13           HD1      TYR  13   1.129  -1.552  -5.081
   76    HD2  TYR  13           HD2      TYR  13   5.284  -2.070  -4.380
   77    HE1  TYR  13           HE1      TYR  13   0.667  -3.686  -3.976
   78    HE2  TYR  13           HE2      TYR  13   4.828  -4.218  -3.257
   79    HH   TYR  13           HH       TYR  13   1.600  -5.600  -3.287
   80    H    SER  14           H        SER  14   4.879  -2.536  -8.013
   81    HA   SER  14           HA       SER  14   2.458  -2.732  -9.641
   82    HB2  SER  14           HB2      SER  14   3.982  -4.254 -11.038
   83    HB3  SER  14           HB3      SER  14   4.341  -2.527 -11.033
   84    HG   SER  14           HG       SER  14   6.037  -2.857  -9.707
   85    H    GLY  15           H        GLY  15   3.079  -3.705  -6.840
   86    HA2  GLY  15           HA2      GLY  15   2.889  -6.589  -7.035
   87    HA3  GLY  15           HA3      GLY  15   2.813  -5.666  -5.549
   88    HA   PRO  16           HA       PRO  16  -1.452  -7.430  -6.541
   89    HB2  PRO  16           HB2      PRO  16  -1.753  -8.000  -3.837
   90    HB3  PRO  16           HB3      PRO  16  -1.221  -9.155  -5.065
   91    HG2  PRO  16           HG2      PRO  16   0.478  -7.401  -3.287
   92    HG3  PRO  16           HG3      PRO  16   0.644  -9.158  -3.582
   93    HD2  PRO  16           HD2      PRO  16   2.201  -7.504  -4.794
   94    HD3  PRO  16           HD3      PRO  16   1.385  -8.739  -5.781
   95    H    THR  17           H        THR  17  -2.660  -5.585  -6.823
   96    HA   THR  17           HA       THR  17  -2.719  -3.579  -4.759
   97    HB   THR  17           HB       THR  17  -4.278  -2.414  -6.408
   98    HG1  THR  17           HG1      THR  17  -3.407  -3.674  -8.556
   99   HG21  THR  17          HG21      THR  17  -1.490  -3.145  -7.327
  100   HG22  THR  17          HG22      THR  17  -1.895  -1.843  -6.211
  101   HG23  THR  17          HG23      THR  17  -2.418  -1.755  -7.892
  102    H    VAL  18           H        VAL  18  -4.625  -6.230  -5.797
  103    HA   VAL  18           HA       VAL  18  -7.064  -5.298  -4.572
  104    HB   VAL  18           HB       VAL  18  -6.338  -8.102  -5.492
  105   HG11  VAL  18          HG11      VAL  18  -8.187  -8.094  -3.901
  106   HG12  VAL  18          HG12      VAL  18  -8.754  -8.507  -5.519
  107   HG13  VAL  18          HG13      VAL  18  -9.032  -6.889  -4.874
  108   HG21  VAL  18          HG21      VAL  18  -6.246  -6.518  -7.339
  109   HG22  VAL  18          HG22      VAL  18  -7.860  -5.933  -6.935
  110   HG23  VAL  18          HG23      VAL  18  -7.640  -7.587  -7.509
  111    H    CYS  19           H        CYS  19  -7.349  -5.306  -2.470
  112    HA   CYS  19           HA       CYS  19  -5.559  -6.580  -0.664
  113    HB2  CYS  19           HB2      CYS  19  -8.075  -4.994  -0.286
  114    HB3  CYS  19           HB3      CYS  19  -7.226  -5.754   1.051
  115    H    ALA  20           H        ALA  20  -6.439  -7.752   1.251
  116    HA   ALA  20           HA       ALA  20  -7.760 -10.144   0.397
  117    HB1  ALA  20           HB1      ALA  20  -7.325 -10.883   2.706
  118    HB2  ALA  20           HB2      ALA  20  -6.796  -9.250   3.117
  119    HB3  ALA  20           HB3      ALA  20  -5.874 -10.207   1.959
  120    H    SER  21           H        SER  21  -9.431 -10.967   2.274
  121    HA   SER  21           HA       SER  21 -11.740  -9.385   1.899
  122    HB2  SER  21           HB2      SER  21 -11.303 -11.710   3.784
  123    HB3  SER  21           HB3      SER  21 -12.835 -11.160   3.106
  124    HG   SER  21           HG       SER  21 -12.075 -11.732   1.048
  125    H    GLY  22           H        GLY  22 -12.264  -7.608   3.097
  126    HA2  GLY  22           HA2      GLY  22 -12.889  -6.610   5.117
  127    HA3  GLY  22           HA3      GLY  22 -11.872  -7.757   5.979
  128    H    THR  23           H        THR  23 -10.536  -6.147   3.254
  129    HA   THR  23           HA       THR  23  -9.302  -4.155   4.965
  130    HB   THR  23           HB       THR  23  -7.074  -4.645   3.803
  131    HG1  THR  23           HG1      THR  23  -8.619  -6.738   2.824
  132   HG21  THR  23          HG21      THR  23  -6.451  -6.458   5.356
  133   HG22  THR  23          HG22      THR  23  -8.156  -6.769   5.667
  134   HG23  THR  23          HG23      THR  23  -7.438  -5.236   6.151
  135    H    THR  24           H        THR  24  -8.584  -2.281   3.861
  136    HA   THR  24           HA       THR  24  -9.459  -2.078   1.076
  137    HB   THR  24           HB       THR  24 -10.034   0.347   1.675
  138    HG1  THR  24           HG1      THR  24  -9.382  -0.638   4.162
  139   HG21  THR  24          HG21      THR  24 -11.720  -1.891   2.792
  140   HG22  THR  24          HG22      THR  24 -11.766  -1.248   1.144
  141   HG23  THR  24          HG23      THR  24 -12.284  -0.249   2.494
  142    H    CYS  25           H        CYS  25  -8.057  -1.069  -0.260
  143    HA   CYS  25           HA       CYS  25  -5.426  -0.450   0.673
  144    HB2  CYS  25           HB2      CYS  25  -5.843  -1.482  -1.544
  145    HB3  CYS  25           HB3      CYS  25  -6.667  -0.011  -2.051
  146    H    GLN  26           H        GLN  26  -4.972   1.444   1.701
  147    HA   GLN  26           HA       GLN  26  -6.408   3.805   0.805
  148    HB2  GLN  26           HB2      GLN  26  -5.394   3.033   3.528
  149    HB3  GLN  26           HB3      GLN  26  -6.118   4.583   3.118
  150    HG2  GLN  26           HG2      GLN  26  -8.204   3.447   2.519
  151    HG3  GLN  26           HG3      GLN  26  -7.469   1.897   2.895
  152   HE21  GLN  26          HE21      GLN  26  -9.035   1.440   4.406
  153   HE22  GLN  26          HE22      GLN  26  -9.071   2.184   5.950
  154    H    VAL  27           H        VAL  27  -5.197   5.383   0.072
  155    HA   VAL  27           HA       VAL  27  -2.363   5.103  -0.167
  156    HB   VAL  27           HB       VAL  27  -4.185   7.426  -0.871
  157   HG11  VAL  27          HG11      VAL  27  -1.885   8.173  -0.647
  158   HG12  VAL  27          HG12      VAL  27  -2.377   8.189  -2.342
  159   HG13  VAL  27          HG13      VAL  27  -1.345   6.893  -1.732
  160   HG21  VAL  27          HG21      VAL  27  -4.769   5.419  -2.111
  161   HG22  VAL  27          HG22      VAL  27  -3.090   5.220  -2.612
  162   HG23  VAL  27          HG23      VAL  27  -4.019   6.605  -3.181
  163    H    LEU  28           H        LEU  28  -0.924   5.737   1.303
  164    HA   LEU  28           HA       LEU  28  -1.750   7.643   3.387
  165    HB2  LEU  28           HB2      LEU  28   0.594   5.749   3.271
  166    HB3  LEU  28           HB3      LEU  28   0.269   6.844   4.595
  167    HG   LEU  28           HG       LEU  28  -1.514   4.543   3.767
  168   HD11  LEU  28          HD11      LEU  28  -0.738   3.538   5.871
  169   HD12  LEU  28          HD12      LEU  28   0.422   4.865   6.048
  170   HD13  LEU  28          HD13      LEU  28   0.537   3.762   4.678
  171   HD21  LEU  28          HD21      LEU  28  -2.639   4.961   5.870
  172   HD22  LEU  28          HD22      LEU  28  -2.759   6.371   4.807
  173   HD23  LEU  28          HD23      LEU  28  -1.604   6.358   6.156
  174    H    ASN  29           H        ASN  29   0.647   6.978   0.948
  175    HA   ASN  29           HA       ASN  29   1.376   9.778   0.811
  176    HB2  ASN  29           HB2      ASN  29   3.370   7.466   0.963
  177    HB3  ASN  29           HB3      ASN  29   3.775   9.116   0.509
  178   HD21  ASN  29          HD21      ASN  29   3.102   6.946   3.115
  179   HD22  ASN  29          HD22      ASN  29   3.494   8.044   4.371
  180    HA   PRO  30           HA       PRO  30   0.803   8.843  -3.419
  181    HB2  PRO  30           HB2      PRO  30   3.264   9.532  -4.624
  182    HB3  PRO  30           HB3      PRO  30   1.797  10.495  -4.568
  183    HG2  PRO  30           HG2      PRO  30   4.239  10.920  -3.143
  184    HG3  PRO  30           HG3      PRO  30   2.770  11.896  -3.090
  185    HD2  PRO  30           HD2      PRO  30   3.842  10.120  -1.130
  186    HD3  PRO  30           HD3      PRO  30   2.390  11.115  -0.984
  187    H    TYR  31           H        TYR  31   3.923   7.664  -2.266
  188    HA   TYR  31           HA       TYR  31   3.715   5.550  -4.275
  189    HB2  TYR  31           HB2      TYR  31   6.030   6.131  -2.420
  190    HB3  TYR  31           HB3      TYR  31   6.019   4.999  -3.764
  191    HD1  TYR  31           HD1      TYR  31   5.664   5.947  -6.108
  192    HD2  TYR  31           HD2      TYR  31   6.627   8.366  -2.754
  193    HE1  TYR  31           HE1      TYR  31   6.407   7.728  -7.619
  194    HE2  TYR  31           HE2      TYR  31   7.370  10.155  -4.246
  195    HH   TYR  31           HH       TYR  31   6.655  10.220  -7.522
  196    H    TYR  32           H        TYR  32   3.464   6.114  -0.863
  197    HA   TYR  32           HA       TYR  32   3.313   3.229  -0.469
  198    HB2  TYR  32           HB2      TYR  32   4.871   4.503   0.964
  199    HB3  TYR  32           HB3      TYR  32   3.497   5.364   1.647
  200    HD1  TYR  32           HD1      TYR  32   2.333   4.447   3.471
  201    HD2  TYR  32           HD2      TYR  32   4.954   1.975   1.227
  202    HE1  TYR  32           HE1      TYR  32   2.096   2.688   5.160
  203    HE2  TYR  32           HE2      TYR  32   4.736   0.204   2.894
  204    HH   TYR  32           HH       TYR  32   2.372   0.306   5.404
  205    H    SER  33           H        SER  33   1.393   2.426  -0.638
  206    HA   SER  33           HA       SER  33  -0.806   3.779   0.722
  207    HB2  SER  33           HB2      SER  33  -1.020   1.964  -1.722
  208    HB3  SER  33           HB3      SER  33  -2.326   2.835  -0.927
  209    HG   SER  33           HG       SER  33  -1.314   3.790  -2.881
  210    H    GLN  34           H        GLN  34  -1.867   2.466   2.148
  211    HA   GLN  34           HA       GLN  34  -0.663  -0.191   2.462
  212    HB2  GLN  34           HB2      GLN  34   0.152   1.484   4.103
  213    HB3  GLN  34           HB3      GLN  34  -1.499   1.715   4.641
  214    HG2  GLN  34           HG2      GLN  34  -1.610  -0.574   5.377
  215    HG3  GLN  34           HG3      GLN  34   0.024  -0.868   4.778
  216   HE21  GLN  34          HE21      GLN  34  -1.888   0.537   7.250
  217   HE22  GLN  34          HE22      GLN  34  -0.594   0.955   8.308
  218    H    CYS  35           H        CYS  35  -2.050  -1.798   3.005
  219    HA   CYS  35           HA       CYS  35  -4.823  -1.158   2.564
  220    HB2  CYS  35           HB2      CYS  35  -3.664  -3.177   1.530
  221    HB3  CYS  35           HB3      CYS  35  -3.698  -3.884   3.142
  222    H    LEU  36           H        LEU  36  -6.146  -0.725   4.107
  223    HA   LEU  36           HA       LEU  36  -5.597  -1.659   6.816
  224    HB2  LEU  36           HB2      LEU  36  -6.911   0.883   5.864
  225    HB3  LEU  36           HB3      LEU  36  -6.934   0.341   7.525
  226    HG   LEU  36           HG       LEU  36  -4.428   1.018   5.981
  227   HD11  LEU  36          HD11      LEU  36  -4.359   3.022   7.392
  228   HD12  LEU  36          HD12      LEU  36  -5.917   2.579   8.092
  229   HD13  LEU  36          HD13      LEU  36  -5.807   3.001   6.384
  230   HD21  LEU  36          HD21      LEU  36  -3.399   0.963   8.228
  231   HD22  LEU  36          HD22      LEU  36  -4.004  -0.606   7.709
  232   HD23  LEU  36          HD23      LEU  36  -4.918   0.349   8.878
  233    H1   MAN 101           H1       MAN 101   1.343  -9.418   4.334
  234    H2   MAN 101           H2       MAN 101   2.271  -7.045   3.548
  235    H3   MAN 101           H3       MAN 101   3.296  -6.909   1.462
  236    H4   MAN 101           H4       MAN 101   2.067  -8.122  -0.317
  237    H5   MAN 101           H5       MAN 101   0.082  -9.647   0.750
  238    H61  MAN 101           H61      MAN 101   2.961 -10.425   0.227
  239    H62  MAN 101           H62      MAN 101   1.614 -10.490  -0.925
  240    HO2  MAN 101           HO2      MAN 101   4.335  -7.987   3.806
  241    HO3  MAN 101           HO3      MAN 101   4.704  -8.603   1.915
  242    HO4  MAN 101           HO4      MAN 101   0.491  -7.140   1.831
  243    HO6  MAN 101           HO6      MAN 101   2.298 -12.271   1.098
  Start of MODEL   10
    1    H1   THR   1           H1       THR   1  -2.485 -11.246  -3.744
    2    H2   THR   1           H2       THR   1  -3.912 -12.148  -3.500
    3    H3   THR   1           H3       THR   1  -2.831 -11.888  -2.233
    4    HA   THR   1           HA       THR   1  -4.349  -9.757  -3.493
    5    HB   THR   1           HB       THR   1  -5.387  -9.752  -1.156
    6    HG1  THR   1           HG1      THR   1  -5.257 -12.000  -0.217
    7   HG21  THR   1          HG21      THR   1  -5.904 -12.190  -2.885
    8   HG22  THR   1          HG22      THR   1  -6.612 -10.594  -3.135
    9   HG23  THR   1          HG23      THR   1  -7.009 -11.516  -1.687
   10    H    ALA   2           H        ALA   2  -4.248  -7.874  -1.865
   11    HA   ALA   2           HA       ALA   2  -1.508  -7.501  -0.963
   12    HB1  ALA   2           HB1      ALA   2  -2.547  -5.711  -2.289
   13    HB2  ALA   2           HB2      ALA   2  -2.188  -5.154  -0.650
   14    HB3  ALA   2           HB3      ALA   2  -3.839  -5.564  -1.095
   15    H    SER   3           H        SER   3  -0.983  -7.588   1.119
   16    HA   SER   3           HA       SER   3  -2.987  -8.467   2.938
   17    HB2  SER   3           HB2      SER   3  -0.903  -8.615   4.482
   18    HB3  SER   3           HB3      SER   3  -1.125  -9.784   3.186
   19    H    HIS   4           H        HIS   4  -3.117  -7.777   5.066
   20    HA   HIS   4           HA       HIS   4  -3.728  -5.055   5.359
   21    HB2  HIS   4           HB2      HIS   4  -4.689  -7.096   6.573
   22    HB3  HIS   4           HB3      HIS   4  -3.250  -7.053   7.568
   23    HD1  HIS   4           HD1      HIS   4  -4.464  -6.497   9.736
   24    HD2  HIS   4           HD2      HIS   4  -5.253  -3.834   6.676
   25    HE1  HIS   4           HE1      HIS   4  -5.811  -4.676  10.784
   26    HE2  HIS   4           HE2      HIS   4  -6.601  -3.351   8.809
   27    H    TYR   5           H        TYR   5  -2.447  -3.428   5.860
   28    HA   TYR   5           HA       TYR   5  -0.842  -2.151   6.595
   29    HB2  TYR   5           HB2      TYR   5   0.027  -4.530   8.218
   30    HB3  TYR   5           HB3      TYR   5   0.986  -3.052   8.192
   31    HD1  TYR   5           HD1      TYR   5  -2.123  -4.594   9.351
   32    HD2  TYR   5           HD2      TYR   5   0.107  -0.983   9.143
   33    HE1  TYR   5           HE1      TYR   5  -3.588  -3.586  11.045
   34    HE2  TYR   5           HE2      TYR   5  -1.354   0.026  10.836
   35    HH   TYR   5           HH       TYR   5  -3.594  -0.256  11.671
   36    H    GLY   6           H        GLY   6  -0.472  -4.389   4.392
   37    HA2  GLY   6           HA2      GLY   6   2.325  -3.779   3.835
   38    HA3  GLY   6           HA3      GLY   6   1.313  -4.941   2.972
   39    H    GLN   7           H        GLN   7   2.848  -3.083   1.613
   40    HA   GLN   7           HA       GLN   7   1.344  -0.797   0.864
   41    HB2  GLN   7           HB2      GLN   7   3.816  -1.046   0.448
   42    HB3  GLN   7           HB3      GLN   7   3.431  -2.257  -0.773
   43    HG2  GLN   7           HG2      GLN   7   2.267  -0.617  -2.100
   44    HG3  GLN   7           HG3      GLN   7   2.539   0.627  -0.891
   45   HE21  GLN   7          HE21      GLN   7   3.748   1.978  -2.301
   46   HE22  GLN   7          HE22      GLN   7   5.282   1.525  -2.854
   47    H    CYS   8           H        CYS   8  -0.450  -0.767  -0.265
   48    HA   CYS   8           HA       CYS   8  -1.211  -3.214  -1.687
   49    HB2  CYS   8           HB2      CYS   8  -3.495  -2.296  -1.590
   50    HB3  CYS   8           HB3      CYS   8  -2.732  -2.619  -0.029
   51    H    GLY   9           H        GLY   9  -0.639   0.183  -2.319
   52    HA2  GLY   9           HA2      GLY   9  -0.726  -0.260  -5.135
   53    HA3  GLY   9           HA3      GLY   9  -2.228   0.448  -4.555
   54    H    GLY  10           H        GLY  10   1.229   0.913  -4.209
   55    HA2  GLY  10           HA2      GLY  10   0.703   3.801  -4.213
   56    HA3  GLY  10           HA3      GLY  10   2.137   3.043  -3.518
   57    H    ILE  11           H        ILE  11   2.316   5.099  -5.385
   58    HA   ILE  11           HA       ILE  11   2.610   4.254  -8.036
   59    HB   ILE  11           HB       ILE  11   4.215   6.398  -6.602
   60   HG12  ILE  11          HG12      ILE  11   1.660   6.670  -8.208
   61   HG13  ILE  11          HG13      ILE  11   1.747   6.692  -6.452
   62   HG21  ILE  11          HG21      ILE  11   4.522   7.371  -8.851
   63   HG22  ILE  11          HG22      ILE  11   3.676   5.991  -9.557
   64   HG23  ILE  11          HG23      ILE  11   5.219   5.754  -8.741
   65   HD11  ILE  11          HD11      ILE  11   3.040   8.670  -8.307
   66   HD12  ILE  11          HD12      ILE  11   3.114   8.705  -6.544
   67   HD13  ILE  11          HD13      ILE  11   1.571   8.935  -7.366
   68    H    GLY  12           H        GLY  12   4.025   2.878  -8.922
   69    HA2  GLY  12           HA2      GLY  12   6.249   2.146  -9.334
   70    HA3  GLY  12           HA3      GLY  12   6.661   2.589  -7.687
   71    H    TYR  13           H        TYR  13   3.915   1.218  -7.072
   72    HA   TYR  13           HA       TYR  13   5.124  -1.361  -6.521
   73    HB2  TYR  13           HB2      TYR  13   3.953  -0.267  -4.696
   74    HB3  TYR  13           HB3      TYR  13   2.506  -0.107  -5.670
   75    HD1  TYR  13           HD1      TYR  13   0.835  -1.698  -5.481
   76    HD2  TYR  13           HD2      TYR  13   4.753  -2.700  -4.175
   77    HE1  TYR  13           HE1      TYR  13  -0.024  -3.788  -4.538
   78    HE2  TYR  13           HE2      TYR  13   3.898  -4.803  -3.222
   79    HH   TYR  13           HH       TYR  13   0.574  -5.796  -3.790
   80    H    SER  14           H        SER  14   4.984  -2.887  -7.994
   81    HA   SER  14           HA       SER  14   2.822  -2.843  -9.929
   82    HB2  SER  14           HB2      SER  14   4.422  -4.501 -11.053
   83    HB3  SER  14           HB3      SER  14   4.947  -2.821 -10.932
   84    HG   SER  14           HG       SER  14   6.617  -3.596  -9.971
   85    H    GLY  15           H        GLY  15   3.073  -4.074  -7.028
   86    HA2  GLY  15           HA2      GLY  15   2.631  -6.887  -7.545
   87    HA3  GLY  15           HA3      GLY  15   2.641  -6.122  -5.963
   88    HA   PRO  16           HA       PRO  16  -1.731  -7.450  -6.951
   89    HB2  PRO  16           HB2      PRO  16  -2.016  -8.268  -4.316
   90    HB3  PRO  16           HB3      PRO  16  -1.555  -9.333  -5.650
   91    HG2  PRO  16           HG2      PRO  16   0.242  -7.842  -3.736
   92    HG3  PRO  16           HG3      PRO  16   0.317  -9.566  -4.202
   93    HD2  PRO  16           HD2      PRO  16   1.938  -7.849  -5.252
   94    HD3  PRO  16           HD3      PRO  16   1.102  -8.988  -6.331
   95    H    THR  17           H        THR  17  -3.084  -5.759  -6.844
   96    HA   THR  17           HA       THR  17  -2.812  -3.816  -4.681
   97    HB   THR  17           HB       THR  17  -4.254  -2.383  -6.182
   98    HG1  THR  17           HG1      THR  17  -3.595  -4.324  -8.163
   99   HG21  THR  17          HG21      THR  17  -1.811  -2.132  -6.112
  100   HG22  THR  17          HG22      THR  17  -2.433  -1.833  -7.731
  101   HG23  THR  17          HG23      THR  17  -1.646  -3.372  -7.357
  102    H    VAL  18           H        VAL  18  -4.852  -6.320  -5.777
  103    HA   VAL  18           HA       VAL  18  -7.240  -5.352  -4.514
  104    HB   VAL  18           HB       VAL  18  -6.547  -8.117  -5.592
  105   HG11  VAL  18          HG11      VAL  18  -8.322  -8.252  -3.916
  106   HG12  VAL  18          HG12      VAL  18  -8.946  -8.579  -5.532
  107   HG13  VAL  18          HG13      VAL  18  -9.231  -7.010  -4.778
  108   HG21  VAL  18          HG21      VAL  18  -7.951  -7.499  -7.506
  109   HG22  VAL  18          HG22      VAL  18  -6.584  -6.399  -7.336
  110   HG23  VAL  18          HG23      VAL  18  -8.189  -5.898  -6.813
  111    H    CYS  19           H        CYS  19  -7.412  -5.322  -2.405
  112    HA   CYS  19           HA       CYS  19  -5.621  -6.656  -0.641
  113    HB2  CYS  19           HB2      CYS  19  -8.077  -4.991  -0.222
  114    HB3  CYS  19           HB3      CYS  19  -7.218  -5.760   1.107
  115    H    ALA  20           H        ALA  20  -6.463  -7.861   1.277
  116    HA   ALA  20           HA       ALA  20  -7.992 -10.126   0.433
  117    HB1  ALA  20           HB1      ALA  20  -6.063 -10.383   1.916
  118    HB2  ALA  20           HB2      ALA  20  -7.536 -10.935   2.719
  119    HB3  ALA  20           HB3      ALA  20  -6.848  -9.359   3.118
  120    H    SER  21           H        SER  21  -9.757 -10.892   1.969
  121    HA   SER  21           HA       SER  21 -11.936  -9.166   1.900
  122    HB2  SER  21           HB2      SER  21 -11.554 -11.570   3.683
  123    HB3  SER  21           HB3      SER  21 -13.092 -10.884   3.146
  124    HG   SER  21           HG       SER  21 -11.930 -11.251   0.961
  125    H    GLY  22           H        GLY  22 -12.371  -7.440   3.076
  126    HA2  GLY  22           HA2      GLY  22 -13.059  -6.545   5.171
  127    HA3  GLY  22           HA3      GLY  22 -11.841  -7.539   5.952
  128    H    THR  23           H        THR  23 -10.033  -6.636   3.637
  129    HA   THR  23           HA       THR  23  -9.185  -4.232   5.068
  130    HB   THR  23           HB       THR  23  -6.922  -4.690   4.083
  131    HG1  THR  23           HG1      THR  23  -8.349  -6.638   2.751
  132   HG21  THR  23          HG21      THR  23  -7.444  -5.432   6.342
  133   HG22  THR  23          HG22      THR  23  -6.415  -6.610   5.534
  134   HG23  THR  23          HG23      THR  23  -8.142  -6.922   5.709
  135    H    THR  24           H        THR  24  -8.500  -2.365   3.931
  136    HA   THR  24           HA       THR  24  -9.386  -2.250   1.129
  137    HB   THR  24           HB       THR  24 -10.184   0.091   1.615
  138    HG1  THR  24           HG1      THR  24  -9.354  -0.650   4.174
  139   HG21  THR  24          HG21      THR  24 -12.328  -0.606   2.619
  140   HG22  THR  24          HG22      THR  24 -11.598  -2.142   3.087
  141   HG23  THR  24          HG23      THR  24 -11.790  -1.737   1.378
  142    H    CYS  25           H        CYS  25  -8.181  -0.828  -0.226
  143    HA   CYS  25           HA       CYS  25  -5.516  -0.372   0.763
  144    HB2  CYS  25           HB2      CYS  25  -5.905  -1.270  -1.540
  145    HB3  CYS  25           HB3      CYS  25  -6.659   0.263  -1.972
  146    H    GLN  26           H        GLN  26  -5.028   1.405   1.876
  147    HA   GLN  26           HA       GLN  26  -6.454   3.838   1.211
  148    HB2  GLN  26           HB2      GLN  26  -5.254   2.898   3.820
  149    HB3  GLN  26           HB3      GLN  26  -5.982   4.478   3.559
  150    HG2  GLN  26           HG2      GLN  26  -8.124   3.407   3.027
  151    HG3  GLN  26           HG3      GLN  26  -7.393   1.831   3.266
  152   HE21  GLN  26          HE21      GLN  26  -8.867   1.288   4.837
  153   HE22  GLN  26          HE22      GLN  26  -8.852   1.964   6.418
  154    H    VAL  27           H        VAL  27  -5.235   5.175   0.098
  155    HA   VAL  27           HA       VAL  27  -2.397   4.897  -0.065
  156    HB   VAL  27           HB       VAL  27  -4.162   7.104  -1.176
  157   HG11  VAL  27          HG11      VAL  27  -1.398   6.228  -1.959
  158   HG12  VAL  27          HG12      VAL  27  -1.814   7.706  -1.107
  159   HG13  VAL  27          HG13      VAL  27  -2.344   7.468  -2.779
  160   HG21  VAL  27          HG21      VAL  27  -4.905   4.942  -2.031
  161   HG22  VAL  27          HG22      VAL  27  -3.244   4.561  -2.513
  162   HG23  VAL  27          HG23      VAL  27  -4.102   5.878  -3.299
  163    H    LEU  28           H        LEU  28  -1.264   5.513   1.647
  164    HA   LEU  28           HA       LEU  28  -2.165   7.611   3.425
  165    HB2  LEU  28           HB2      LEU  28   0.428   6.076   3.410
  166    HB3  LEU  28           HB3      LEU  28  -0.153   7.090   4.718
  167    HG   LEU  28           HG       LEU  28  -1.301   4.447   3.814
  168   HD11  LEU  28          HD11      LEU  28   0.041   5.287   6.369
  169   HD12  LEU  28          HD12      LEU  28   0.762   4.323   5.091
  170   HD13  LEU  28          HD13      LEU  28  -0.604   3.681   6.011
  171   HD21  LEU  28          HD21      LEU  28  -2.216   6.294   6.000
  172   HD22  LEU  28          HD22      LEU  28  -2.792   4.645   5.724
  173   HD23  LEU  28          HD23      LEU  28  -3.110   5.907   4.519
  174    H    ASN  29           H        ASN  29   0.524   7.001   1.250
  175    HA   ASN  29           HA       ASN  29   1.024   9.877   0.992
  176    HB2  ASN  29           HB2      ASN  29   3.150   7.665   1.041
  177    HB3  ASN  29           HB3      ASN  29   3.420   9.342   0.609
  178   HD21  ASN  29          HD21      ASN  29   1.542   8.217   3.346
  179   HD22  ASN  29          HD22      ASN  29   2.583   8.845   4.570
  180    HA   PRO  30           HA       PRO  30   0.426   8.878  -3.252
  181    HB2  PRO  30           HB2      PRO  30   2.835   9.750  -4.454
  182    HB3  PRO  30           HB3      PRO  30   1.286  10.570  -4.446
  183    HG2  PRO  30           HG2      PRO  30   3.635  11.285  -3.034
  184    HG3  PRO  30           HG3      PRO  30   2.057  12.079  -2.944
  185    HD2  PRO  30           HD2      PRO  30   3.386  10.410  -1.021
  186    HD3  PRO  30           HD3      PRO  30   1.868  11.274  -0.807
  187    H    TYR  31           H        TYR  31   3.738   8.065  -2.248
  188    HA   TYR  31           HA       TYR  31   3.670   5.876  -4.153
  189    HB2  TYR  31           HB2      TYR  31   5.883   6.808  -2.311
  190    HB3  TYR  31           HB3      TYR  31   6.003   5.410  -3.361
  191    HD1  TYR  31           HD1      TYR  31   5.386   9.089  -3.461
  192    HD2  TYR  31           HD2      TYR  31   6.755   5.645  -5.537
  193    HE1  TYR  31           HE1      TYR  31   6.171  10.515  -5.289
  194    HE2  TYR  31           HE2      TYR  31   7.538   7.061  -7.379
  195    HH   TYR  31           HH       TYR  31   7.776  10.436  -7.094
  196    H    TYR  32           H        TYR  32   3.256   6.447  -0.748
  197    HA   TYR  32           HA       TYR  32   3.331   3.554  -0.377
  198    HB2  TYR  32           HB2      TYR  32   4.796   4.834   1.153
  199    HB3  TYR  32           HB3      TYR  32   3.358   5.624   1.812
  200    HD1  TYR  32           HD1      TYR  32   2.272   4.656   3.657
  201    HD2  TYR  32           HD2      TYR  32   4.769   2.230   1.204
  202    HE1  TYR  32           HE1      TYR  32   1.953   2.766   5.194
  203    HE2  TYR  32           HE2      TYR  32   4.456   0.343   2.741
  204    HH   TYR  32           HH       TYR  32   2.138   0.529   5.323
  205    H    SER  33           H        SER  33   1.500   2.607  -0.580
  206    HA   SER  33           HA       SER  33  -0.839   3.818   0.710
  207    HB2  SER  33           HB2      SER  33  -0.874   1.911  -1.663
  208    HB3  SER  33           HB3      SER  33  -2.231   2.803  -0.980
  209    HG   SER  33           HG       SER  33  -1.191   3.694  -2.929
  210    H    GLN  34           H        GLN  34  -1.854   2.497   2.178
  211    HA   GLN  34           HA       GLN  34  -0.618  -0.130   2.540
  212    HB2  GLN  34           HB2      GLN  34   0.312   1.308   4.195
  213    HB3  GLN  34           HB3      GLN  34  -1.253   2.000   4.569
  214    HG2  GLN  34           HG2      GLN  34  -1.953  -0.039   5.628
  215    HG3  GLN  34           HG3      GLN  34  -0.477  -0.848   5.097
  216   HE21  GLN  34          HE21      GLN  34   1.366  -0.634   6.285
  217   HE22  GLN  34          HE22      GLN  34   1.488   0.324   7.704
  218    H    CYS  35           H        CYS  35  -1.980  -1.776   2.929
  219    HA   CYS  35           HA       CYS  35  -4.773  -1.177   2.588
  220    HB2  CYS  35           HB2      CYS  35  -3.621  -3.199   1.493
  221    HB3  CYS  35           HB3      CYS  35  -3.623  -3.907   3.101
  222    H    LEU  36           H        LEU  36  -6.131  -0.909   4.131
  223    HA   LEU  36           HA       LEU  36  -5.534  -1.914   6.797
  224    HB2  LEU  36           HB2      LEU  36  -6.687   0.773   6.045
  225    HB3  LEU  36           HB3      LEU  36  -6.545   0.160   7.681
  226    HG   LEU  36           HG       LEU  36  -4.201   0.698   5.853
  227   HD11  LEU  36          HD11      LEU  36  -5.210   2.324   8.178
  228   HD12  LEU  36          HD12      LEU  36  -5.371   2.755   6.478
  229   HD13  LEU  36          HD13      LEU  36  -3.772   2.646   7.207
  230   HD21  LEU  36          HD21      LEU  36  -4.347   0.008   8.786
  231   HD22  LEU  36          HD22      LEU  36  -2.885   0.454   7.914
  232   HD23  LEU  36          HD23      LEU  36  -3.738  -1.029   7.496
  233    H1   MAN 101           H1       MAN 101   0.948 -10.254   2.452
  234    H2   MAN 101           H2       MAN 101   2.135  -7.889   0.952
  235    H3   MAN 101           H3       MAN 101   3.688  -9.462   0.053
  236    H4   MAN 101           H4       MAN 101   2.111 -11.033  -1.278
  237    H5   MAN 101           H5       MAN 101  -0.366 -10.536  -0.900
  238    H61  MAN 101           H61      MAN 101   1.202 -11.924   1.321
  239    H62  MAN 101           H62      MAN 101   0.484 -12.668  -0.114
  240    HO2  MAN 101           HO2      MAN 101   2.673  -8.205   3.200
  241    HO3  MAN 101           HO3      MAN 101   3.678 -10.708   1.897
  242    HO4  MAN 101           HO4      MAN 101   0.938  -9.220  -2.128
  243    HO6  MAN 101           HO6      MAN 101  -1.590 -12.099   0.620
  Start of MODEL   11
    1    H1   THR   1           H1       THR   1  -1.920 -11.000  -3.772
    2    H2   THR   1           H2       THR   1  -3.191 -12.139  -3.749
    3    H3   THR   1           H3       THR   1  -2.170 -11.979  -2.416
    4    HA   THR   1           HA       THR   1  -3.978  -9.864  -3.373
    5    HB   THR   1           HB       THR   1  -4.278 -11.469  -0.843
    6    HG1  THR   1           HG1      THR   1  -5.662 -12.185  -3.240
    7   HG21  THR   1          HG21      THR   1  -6.255 -10.112  -2.678
    8   HG22  THR   1          HG22      THR   1  -5.647  -9.472  -1.153
    9   HG23  THR   1          HG23      THR   1  -6.640 -10.927  -1.163
   10    H    ALA   2           H        ALA   2  -4.027  -8.104  -1.871
   11    HA   ALA   2           HA       ALA   2  -1.483  -7.672  -0.580
   12    HB1  ALA   2           HB1      ALA   2  -2.285  -5.395  -0.220
   13    HB2  ALA   2           HB2      ALA   2  -3.882  -5.834  -0.814
   14    HB3  ALA   2           HB3      ALA   2  -2.498  -5.850  -1.906
   15    H    SER   3           H        SER   3  -1.194  -7.439   1.581
   16    HA   SER   3           HA       SER   3  -3.254  -8.712   3.190
   17    HB2  SER   3           HB2      SER   3  -1.333  -9.191   4.698
   18    HB3  SER   3           HB3      SER   3  -1.133  -9.865   3.075
   19    H    HIS   4           H        HIS   4  -3.291  -7.972   5.475
   20    HA   HIS   4           HA       HIS   4  -3.858  -5.197   5.579
   21    HB2  HIS   4           HB2      HIS   4  -4.971  -7.107   6.894
   22    HB3  HIS   4           HB3      HIS   4  -3.552  -7.106   7.909
   23    HD1  HIS   4           HD1      HIS   4  -5.809  -6.640   9.532
   24    HD2  HIS   4           HD2      HIS   4  -4.255  -3.514   7.323
   25    HE1  HIS   4           HE1      HIS   4  -6.674  -4.568  10.630
   26    HE2  HIS   4           HE2      HIS   4  -5.915  -2.700   9.180
   27    H    TYR   5           H        TYR   5  -2.478  -3.616   5.954
   28    HA   TYR   5           HA       TYR   5  -0.819  -2.381   6.680
   29    HB2  TYR   5           HB2      TYR   5   0.010  -4.773   8.312
   30    HB3  TYR   5           HB3      TYR   5   1.019  -3.333   8.208
   31    HD1  TYR   5           HD1      TYR   5   0.330  -1.259   9.177
   32    HD2  TYR   5           HD2      TYR   5  -2.125  -4.707   9.522
   33    HE1  TYR   5           HE1      TYR   5  -0.963  -0.144  10.919
   34    HE2  TYR   5           HE2      TYR   5  -3.434  -3.590  11.287
   35    HH   TYR   5           HH       TYR   5  -3.221  -0.277  11.853
   36    H    GLY   6           H        GLY   6  -0.752  -4.472   4.457
   37    HA2  GLY   6           HA2      GLY   6   2.079  -4.165   3.786
   38    HA3  GLY   6           HA3      GLY   6   0.889  -5.192   2.976
   39    H    GLN   7           H        GLN   7   2.621  -3.310   1.701
   40    HA   GLN   7           HA       GLN   7   1.137  -0.996   0.993
   41    HB2  GLN   7           HB2      GLN   7   3.628  -1.201   0.739
   42    HB3  GLN   7           HB3      GLN   7   3.365  -2.359  -0.555
   43    HG2  GLN   7           HG2      GLN   7   2.289  -0.609  -1.888
   44    HG3  GLN   7           HG3      GLN   7   2.553   0.546  -0.579
   45   HE21  GLN   7          HE21      GLN   7   3.929   1.915  -1.908
   46   HE22  GLN   7          HE22      GLN   7   5.492   1.362  -2.304
   47    H    CYS   8           H        CYS   8  -0.454  -0.809  -0.403
   48    HA   CYS   8           HA       CYS   8  -1.240  -3.238  -1.891
   49    HB2  CYS   8           HB2      CYS   8  -3.540  -2.348  -1.609
   50    HB3  CYS   8           HB3      CYS   8  -2.709  -2.792  -0.112
   51    H    GLY   9           H        GLY   9   0.076  -0.310  -2.599
   52    HA2  GLY   9           HA2      GLY   9  -0.285  -0.344  -5.276
   53    HA3  GLY   9           HA3      GLY   9  -1.824   0.253  -4.693
   54    H    GLY  10           H        GLY  10   1.611   0.924  -4.525
   55    HA2  GLY  10           HA2      GLY  10   0.881   3.767  -4.399
   56    HA3  GLY  10           HA3      GLY  10   2.441   3.100  -3.892
   57    H    ILE  11           H        ILE  11   2.279   5.170  -5.664
   58    HA   ILE  11           HA       ILE  11   2.368   4.403  -8.369
   59    HB   ILE  11           HB       ILE  11   3.916   6.620  -6.986
   60   HG12  ILE  11          HG12      ILE  11   1.170   6.657  -8.281
   61   HG13  ILE  11          HG13      ILE  11   1.529   6.794  -6.576
   62   HG21  ILE  11          HG21      ILE  11   3.154   6.302  -9.903
   63   HG22  ILE  11          HG22      ILE  11   4.779   6.131  -9.239
   64   HG23  ILE  11          HG23      ILE  11   3.971   7.699  -9.203
   65   HD11  ILE  11          HD11      ILE  11   1.008   8.972  -7.539
   66   HD12  ILE  11          HD12      ILE  11   2.360   8.794  -8.660
   67   HD13  ILE  11          HD13      ILE  11   2.664   8.909  -6.930
   68    H    GLY  12           H        GLY  12   3.849   3.250  -9.460
   69    HA2  GLY  12           HA2      GLY  12   6.013   2.543 -10.053
   70    HA3  GLY  12           HA3      GLY  12   6.601   3.068  -8.478
   71    H    TYR  13           H        TYR  13   4.030   1.586  -7.523
   72    HA   TYR  13           HA       TYR  13   5.360  -0.989  -7.176
   73    HB2  TYR  13           HB2      TYR  13   4.871   0.199  -5.117
   74    HB3  TYR  13           HB3      TYR  13   3.198   0.407  -5.598
   75    HD1  TYR  13           HD1      TYR  13   5.702  -2.261  -4.830
   76    HD2  TYR  13           HD2      TYR  13   1.621  -1.079  -4.828
   77    HE1  TYR  13           HE1      TYR  13   5.117  -4.289  -3.559
   78    HE2  TYR  13           HE2      TYR  13   1.025  -3.095  -3.579
   79    HH   TYR  13           HH       TYR  13   1.781  -5.139  -2.969
   80    H    SER  14           H        SER  14   4.676  -2.530  -8.489
   81    HA   SER  14           HA       SER  14   1.945  -2.454  -9.511
   82    HB2  SER  14           HB2      SER  14   3.044  -3.897 -11.316
   83    HB3  SER  14           HB3      SER  14   3.492  -2.187 -11.270
   84    HG   SER  14           HG       SER  14   5.420  -2.933 -11.190
   85    H    GLY  15           H        GLY  15   3.101  -3.661  -6.979
   86    HA2  GLY  15           HA2      GLY  15   2.863  -6.520  -7.303
   87    HA3  GLY  15           HA3      GLY  15   3.056  -5.648  -5.784
   88    HA   PRO  16           HA       PRO  16  -1.217  -7.520  -5.695
   89    HB2  PRO  16           HB2      PRO  16  -1.059  -7.371  -2.895
   90    HB3  PRO  16           HB3      PRO  16  -0.769  -8.808  -3.873
   91    HG2  PRO  16           HG2      PRO  16   1.206  -6.814  -2.807
   92    HG3  PRO  16           HG3      PRO  16   1.344  -8.589  -2.885
   93    HD2  PRO  16           HD2      PRO  16   2.626  -7.085  -4.566
   94    HD3  PRO  16           HD3      PRO  16   1.775  -8.521  -5.172
   95    H    THR  17           H        THR  17  -2.601  -5.909  -6.210
   96    HA   THR  17           HA       THR  17  -2.666  -3.506  -4.561
   97    HB   THR  17           HB       THR  17  -4.073  -2.650  -6.527
   98    HG1  THR  17           HG1      THR  17  -4.410  -3.992  -8.080
   99   HG21  THR  17          HG21      THR  17  -2.059  -2.148  -7.877
  100   HG22  THR  17          HG22      THR  17  -1.167  -3.380  -6.976
  101   HG23  THR  17          HG23      THR  17  -1.755  -1.940  -6.153
  102    H    VAL  18           H        VAL  18  -4.455  -6.298  -5.455
  103    HA   VAL  18           HA       VAL  18  -6.954  -5.251  -4.444
  104    HB   VAL  18           HB       VAL  18  -6.252  -8.081  -5.288
  105   HG11  VAL  18          HG11      VAL  18  -8.937  -6.795  -4.776
  106   HG12  VAL  18          HG12      VAL  18  -8.155  -8.024  -3.779
  107   HG13  VAL  18          HG13      VAL  18  -8.685  -8.421  -5.410
  108   HG21  VAL  18          HG21      VAL  18  -7.451  -7.571  -7.361
  109   HG22  VAL  18          HG22      VAL  18  -6.055  -6.513  -7.153
  110   HG23  VAL  18          HG23      VAL  18  -7.678  -5.910  -6.819
  111    H    CYS  19           H        CYS  19  -7.387  -5.254  -2.373
  112    HA   CYS  19           HA       CYS  19  -5.693  -6.610  -0.501
  113    HB2  CYS  19           HB2      CYS  19  -8.095  -4.839  -0.199
  114    HB3  CYS  19           HB3      CYS  19  -7.303  -5.632   1.160
  115    H    ALA  20           H        ALA  20  -6.545  -7.902   1.246
  116    HA   ALA  20           HA       ALA  20  -8.151 -10.049   0.350
  117    HB1  ALA  20           HB1      ALA  20  -7.162  -9.291   3.117
  118    HB2  ALA  20           HB2      ALA  20  -6.372 -10.383   1.977
  119    HB3  ALA  20           HB3      ALA  20  -7.916 -10.831   2.699
  120    H    SER  21           H        SER  21 -10.165 -10.700   1.625
  121    HA   SER  21           HA       SER  21 -12.040  -8.637   1.323
  122    HB2  SER  21           HB2      SER  21 -12.366 -11.315   2.696
  123    HB3  SER  21           HB3      SER  21 -13.637 -10.303   1.998
  124    HG   SER  21           HG       SER  21 -12.028 -10.573   0.042
  125    H    GLY  22           H        GLY  22 -12.401  -7.038   2.687
  126    HA2  GLY  22           HA2      GLY  22 -13.246  -6.397   4.875
  127    HA3  GLY  22           HA3      GLY  22 -12.124  -7.563   5.568
  128    H    THR  23           H        THR  23 -10.132  -6.572   3.474
  129    HA   THR  23           HA       THR  23  -9.289  -4.271   5.073
  130    HB   THR  23           HB       THR  23  -6.985  -4.744   4.026
  131    HG1  THR  23           HG1      THR  23  -8.433  -6.543   2.675
  132   HG21  THR  23          HG21      THR  23  -6.500  -6.604   5.561
  133   HG22  THR  23          HG22      THR  23  -8.235  -6.856   5.797
  134   HG23  THR  23          HG23      THR  23  -7.476  -5.357   6.329
  135    H    THR  24           H        THR  24  -8.500  -2.382   4.050
  136    HA   THR  24           HA       THR  24  -9.355  -2.093   1.265
  137    HB   THR  24           HB       THR  24 -10.062   0.263   1.940
  138    HG1  THR  24           HG1      THR  24  -9.342  -0.744   4.430
  139   HG21  THR  24          HG21      THR  24 -11.642  -2.057   3.066
  140   HG22  THR  24          HG22      THR  24 -11.673  -1.519   1.391
  141   HG23  THR  24          HG23      THR  24 -12.287  -0.466   2.665
  142    H    CYS  25           H        CYS  25  -7.995  -0.978  -0.026
  143    HA   CYS  25           HA       CYS  25  -5.379  -0.405   0.927
  144    HB2  CYS  25           HB2      CYS  25  -5.888  -1.268  -1.382
  145    HB3  CYS  25           HB3      CYS  25  -6.609   0.308  -1.725
  146    H    GLN  26           H        GLN  26  -4.978   1.362   2.101
  147    HA   GLN  26           HA       GLN  26  -6.420   3.760   1.392
  148    HB2  GLN  26           HB2      GLN  26  -5.101   2.920   3.959
  149    HB3  GLN  26           HB3      GLN  26  -5.844   4.493   3.702
  150    HG2  GLN  26           HG2      GLN  26  -8.003   3.323   3.245
  151    HG3  GLN  26           HG3      GLN  26  -7.210   1.808   3.648
  152   HE21  GLN  26          HE21      GLN  26  -8.633   1.435   5.315
  153   HE22  GLN  26          HE22      GLN  26  -8.517   2.289   6.811
  154    H    VAL  27           H        VAL  27  -5.322   5.283   0.480
  155    HA   VAL  27           HA       VAL  27  -2.509   4.942  -0.013
  156    HB   VAL  27           HB       VAL  27  -4.383   7.169  -0.890
  157   HG11  VAL  27          HG11      VAL  27  -2.712   7.616  -2.626
  158   HG12  VAL  27          HG12      VAL  27  -1.664   6.392  -1.910
  159   HG13  VAL  27          HG13      VAL  27  -2.062   7.851  -1.004
  160   HG21  VAL  27          HG21      VAL  27  -5.137   5.007  -1.734
  161   HG22  VAL  27          HG22      VAL  27  -3.524   4.685  -2.375
  162   HG23  VAL  27          HG23      VAL  27  -4.489   6.001  -3.040
  163    H    LEU  28           H        LEU  28  -1.236   5.461   1.639
  164    HA   LEU  28           HA       LEU  28  -1.875   7.594   3.491
  165    HB2  LEU  28           HB2      LEU  28   0.630   5.926   3.249
  166    HB3  LEU  28           HB3      LEU  28   0.252   6.993   4.591
  167    HG   LEU  28           HG       LEU  28  -1.094   4.388   3.865
  168   HD11  LEU  28          HD11      LEU  28   0.488   5.234   6.278
  169   HD12  LEU  28          HD12      LEU  28   1.046   4.179   4.986
  170   HD13  LEU  28          HD13      LEU  28  -0.274   3.662   6.036
  171   HD21  LEU  28          HD21      LEU  28  -2.795   5.939   4.669
  172   HD22  LEU  28          HD22      LEU  28  -1.786   6.315   6.073
  173   HD23  LEU  28          HD23      LEU  28  -2.440   4.688   5.865
  174    H    ASN  29           H        ASN  29   0.466   6.891   0.999
  175    HA   ASN  29           HA       ASN  29   1.001   9.719   0.625
  176    HB2  ASN  29           HB2      ASN  29   3.079   7.488   0.759
  177    HB3  ASN  29           HB3      ASN  29   3.375   9.106   0.131
  178   HD21  ASN  29          HD21      ASN  29   2.911   7.179   2.984
  179   HD22  ASN  29          HD22      ASN  29   3.383   8.398   4.105
  180    HA   PRO  30           HA       PRO  30   0.194   8.429  -3.507
  181    HB2  PRO  30           HB2      PRO  30   2.491   9.439  -4.824
  182    HB3  PRO  30           HB3      PRO  30   0.875  10.134  -4.806
  183    HG2  PRO  30           HG2      PRO  30   3.178  11.143  -3.540
  184    HG3  PRO  30           HG3      PRO  30   1.521  11.734  -3.340
  185    HD2  PRO  30           HD2      PRO  30   3.188  10.188  -1.543
  186    HD3  PRO  30           HD3      PRO  30   1.669  10.994  -1.174
  187    H    TYR  31           H        TYR  31   3.482   7.863  -2.424
  188    HA   TYR  31           HA       TYR  31   3.624   5.686  -4.331
  189    HB2  TYR  31           HB2      TYR  31   5.724   6.914  -2.552
  190    HB3  TYR  31           HB3      TYR  31   6.017   5.486  -3.538
  191    HD1  TYR  31           HD1      TYR  31   5.169   9.104  -3.694
  192    HD2  TYR  31           HD2      TYR  31   6.454   5.679  -5.844
  193    HE1  TYR  31           HE1      TYR  31   5.702  10.526  -5.634
  194    HE2  TYR  31           HE2      TYR  31   6.990   7.078  -7.776
  195    HH   TYR  31           HH       TYR  31   7.148  10.445  -7.602
  196    H    TYR  32           H        TYR  32   3.349   6.257  -0.859
  197    HA   TYR  32           HA       TYR  32   3.325   3.360  -0.564
  198    HB2  TYR  32           HB2      TYR  32   4.909   4.525   0.951
  199    HB3  TYR  32           HB3      TYR  32   3.542   5.345   1.705
  200    HD1  TYR  32           HD1      TYR  32   2.368   4.306   3.446
  201    HD2  TYR  32           HD2      TYR  32   4.935   1.976   1.002
  202    HE1  TYR  32           HE1      TYR  32   2.021   2.384   4.938
  203    HE2  TYR  32           HE2      TYR  32   4.614   0.040   2.480
  204    HH   TYR  32           HH       TYR  32   3.989  -0.376   4.811
  205    H    SER  33           H        SER  33   1.457   2.447  -0.642
  206    HA   SER  33           HA       SER  33  -0.813   3.747   0.669
  207    HB2  SER  33           HB2      SER  33  -0.821   1.872  -1.735
  208    HB3  SER  33           HB3      SER  33  -2.244   2.610  -1.018
  209    HG   SER  33           HG       SER  33  -1.153   3.619  -2.942
  210    H    GLN  34           H        GLN  34  -1.788   2.435   2.224
  211    HA   GLN  34           HA       GLN  34  -0.581  -0.222   2.506
  212    HB2  GLN  34           HB2      GLN  34   0.340   1.380   4.131
  213    HB3  GLN  34           HB3      GLN  34  -1.282   1.711   4.716
  214    HG2  GLN  34           HG2      GLN  34  -1.512  -0.609   5.408
  215    HG3  GLN  34           HG3      GLN  34   0.120  -0.942   4.830
  216   HE21  GLN  34          HE21      GLN  34   1.865  -0.144   5.982
  217   HE22  GLN  34          HE22      GLN  34   1.694   0.418   7.607
  218    H    CYS  35           H        CYS  35  -1.951  -1.831   3.002
  219    HA   CYS  35           HA       CYS  35  -4.751  -1.194   2.712
  220    HB2  CYS  35           HB2      CYS  35  -3.614  -3.189   1.580
  221    HB3  CYS  35           HB3      CYS  35  -3.634  -3.937   3.174
  222    H    LEU  36           H        LEU  36  -6.082  -0.933   4.288
  223    HA   LEU  36           HA       LEU  36  -5.467  -2.059   6.890
  224    HB2  LEU  36           HB2      LEU  36  -6.695   0.629   6.260
  225    HB3  LEU  36           HB3      LEU  36  -6.560  -0.063   7.862
  226    HG   LEU  36           HG       LEU  36  -4.205   0.652   6.115
  227   HD11  LEU  36          HD11      LEU  36  -5.407   2.645   6.826
  228   HD12  LEU  36          HD12      LEU  36  -3.864   2.506   7.664
  229   HD13  LEU  36          HD13      LEU  36  -5.360   2.087   8.499
  230   HD21  LEU  36          HD21      LEU  36  -4.370  -0.227   8.997
  231   HD22  LEU  36          HD22      LEU  36  -2.914   0.335   8.186
  232   HD23  LEU  36          HD23      LEU  36  -3.692  -1.152   7.655
  233    H1   MAN 101           H1       MAN 101   1.160  -9.562   4.626
  234    H2   MAN 101           H2       MAN 101   2.361  -7.371   4.478
  235    H3   MAN 101           H3       MAN 101   1.617  -6.759   2.205
  236    H4   MAN 101           H4       MAN 101   3.519  -8.936   1.255
  237    H5   MAN 101           H5       MAN 101   0.422  -8.816   1.164
  238    H61  MAN 101           H61      MAN 101   0.677 -11.232   0.558
  239    H62  MAN 101           H62      MAN 101   2.422 -10.980   0.323
  240    HO2  MAN 101           HO2      MAN 101   3.593  -9.588   3.142
  241    HO3  MAN 101           HO3      MAN 101   4.405  -7.201   2.501
  242    HO4  MAN 101           HO4      MAN 101   2.615  -8.273  -0.755
  243    HO6  MAN 101           HO6      MAN 101   0.240  -9.900  -1.134
  Start of MODEL   12
    1    H1   THR   1           H1       THR   1  -3.460 -11.944  -1.976
    2    H2   THR   1           H2       THR   1  -2.610 -11.422  -3.327
    3    H3   THR   1           H3       THR   1  -4.174 -12.067  -3.496
    4    HA   THR   1           HA       THR   1  -4.229  -9.660  -3.619
    5    HB   THR   1           HB       THR   1  -5.695  -9.309  -1.517
    6    HG1  THR   1           HG1      THR   1  -6.304 -11.496  -0.686
    7   HG21  THR   1          HG21      THR   1  -6.354 -11.576  -3.406
    8   HG22  THR   1          HG22      THR   1  -6.634  -9.860  -3.715
    9   HG23  THR   1          HG23      THR   1  -7.520 -10.683  -2.432
   10    H    ALA   2           H        ALA   2  -4.173  -7.669  -2.157
   11    HA   ALA   2           HA       ALA   2  -1.537  -7.365  -1.176
   12    HB1  ALA   2           HB1      ALA   2  -2.162  -5.086  -0.673
   13    HB2  ALA   2           HB2      ALA   2  -3.868  -5.466  -0.883
   14    HB3  ALA   2           HB3      ALA   2  -2.767  -5.539  -2.264
   15    H    SER   3           H        SER   3  -0.981  -6.636   0.943
   16    HA   SER   3           HA       SER   3  -2.280  -8.351   2.882
   17    HB2  SER   3           HB2      SER   3  -0.045  -8.049   4.010
   18    HB3  SER   3           HB3      SER   3  -0.049  -8.938   2.478
   19    H    HIS   4           H        HIS   4  -2.504  -7.687   5.023
   20    HA   HIS   4           HA       HIS   4  -3.528  -5.034   5.361
   21    HB2  HIS   4           HB2      HIS   4  -4.478  -7.091   6.431
   22    HB3  HIS   4           HB3      HIS   4  -3.036  -7.232   7.403
   23    HD1  HIS   4           HD1      HIS   4  -3.876  -6.807   9.678
   24    HD2  HIS   4           HD2      HIS   4  -5.313  -4.011   6.983
   25    HE1  HIS   4           HE1      HIS   4  -5.300  -5.243  11.037
   26    HE2  HIS   4           HE2      HIS   4  -6.430  -3.837   9.298
   27    H    TYR   5           H        TYR   5  -2.401  -3.326   5.921
   28    HA   TYR   5           HA       TYR   5  -0.845  -1.939   6.700
   29    HB2  TYR   5           HB2      TYR   5   0.159  -4.316   8.260
   30    HB3  TYR   5           HB3      TYR   5   1.075  -2.815   8.226
   31    HD1  TYR   5           HD1      TYR   5  -2.173  -4.306   9.184
   32    HD2  TYR   5           HD2      TYR   5   0.445  -0.984   9.579
   33    HE1  TYR   5           HE1      TYR   5  -3.556  -3.441  11.008
   34    HE2  TYR   5           HE2      TYR   5  -0.940  -0.097  11.412
   35    HH   TYR   5           HH       TYR   5  -3.224  -0.270  12.230
   36    H    GLY   6           H        GLY   6  -0.476  -4.138   4.521
   37    HA2  GLY   6           HA2      GLY   6   2.318  -3.587   3.900
   38    HA3  GLY   6           HA3      GLY   6   1.233  -4.758   3.129
   39    H    GLN   7           H        GLN   7   2.632  -3.230   1.437
   40    HA   GLN   7           HA       GLN   7   1.132  -0.871   0.803
   41    HB2  GLN   7           HB2      GLN   7   3.590  -1.071   0.382
   42    HB3  GLN   7           HB3      GLN   7   3.241  -2.304  -0.820
   43    HG2  GLN   7           HG2      GLN   7   2.016  -0.694  -2.155
   44    HG3  GLN   7           HG3      GLN   7   2.305   0.567  -0.962
   45   HE21  GLN   7          HE21      GLN   7   3.533   1.908  -2.409
   46   HE22  GLN   7          HE22      GLN   7   5.055   1.378  -2.972
   47    H    CYS   8           H        CYS   8  -0.522  -0.778  -0.528
   48    HA   CYS   8           HA       CYS   8  -1.295  -3.252  -1.926
   49    HB2  CYS   8           HB2      CYS   8  -3.588  -2.343  -1.797
   50    HB3  CYS   8           HB3      CYS   8  -2.854  -2.774  -0.248
   51    H    GLY   9           H        GLY   9  -0.902   0.222  -2.352
   52    HA2  GLY   9           HA2      GLY   9  -1.008  -0.141  -5.206
   53    HA3  GLY   9           HA3      GLY   9  -2.435   0.642  -4.549
   54    H    GLY  10           H        GLY  10   1.046   0.851  -4.218
   55    HA2  GLY  10           HA2      GLY  10   0.744   3.778  -4.206
   56    HA3  GLY  10           HA3      GLY  10   2.109   2.903  -3.521
   57    H    ILE  11           H        ILE  11   2.423   4.946  -5.385
   58    HA   ILE  11           HA       ILE  11   2.737   3.961  -8.002
   59    HB   ILE  11           HB       ILE  11   4.295   6.208  -6.685
   60   HG12  ILE  11          HG12      ILE  11   1.733   6.344  -8.285
   61   HG13  ILE  11          HG13      ILE  11   1.818   6.455  -6.528
   62   HG21  ILE  11          HG21      ILE  11   4.569   7.040  -8.991
   63   HG22  ILE  11          HG22      ILE  11   3.703   5.627  -9.601
   64   HG23  ILE  11          HG23      ILE  11   5.264   5.427  -8.807
   65   HD11  ILE  11          HD11      ILE  11   1.590   8.631  -7.568
   66   HD12  ILE  11          HD12      ILE  11   3.076   8.363  -8.481
   67   HD13  ILE  11          HD13      ILE  11   3.129   8.493  -6.723
   68    H    GLY  12           H        GLY  12   4.093   2.500  -8.669
   69    HA2  GLY  12           HA2      GLY  12   6.400   1.819  -9.039
   70    HA3  GLY  12           HA3      GLY  12   6.730   2.244  -7.365
   71    H    TYR  13           H        TYR  13   3.844   0.901  -7.127
   72    HA   TYR  13           HA       TYR  13   4.983  -1.687  -6.421
   73    HB2  TYR  13           HB2      TYR  13   3.740  -0.492  -4.695
   74    HB3  TYR  13           HB3      TYR  13   2.346  -0.371  -5.747
   75    HD1  TYR  13           HD1      TYR  13   0.648  -1.915  -5.509
   76    HD2  TYR  13           HD2      TYR  13   4.522  -2.938  -4.108
   77    HE1  TYR  13           HE1      TYR  13  -0.261  -3.953  -4.514
   78    HE2  TYR  13           HE2      TYR  13   3.617  -4.995  -3.100
   79    HH   TYR  13           HH       TYR  13   0.302  -5.963  -3.702
   80    H    SER  14           H        SER  14   4.848  -3.252  -7.875
   81    HA   SER  14           HA       SER  14   2.690  -3.188  -9.845
   82    HB2  SER  14           HB2      SER  14   4.197  -4.798 -11.088
   83    HB3  SER  14           HB3      SER  14   4.848  -3.173 -10.884
   84    HG   SER  14           HG       SER  14   5.456  -5.445  -9.281
   85    H    GLY  15           H        GLY  15   3.081  -4.420  -6.959
   86    HA2  GLY  15           HA2      GLY  15   2.505  -7.215  -7.389
   87    HA3  GLY  15           HA3      GLY  15   2.476  -6.378  -5.842
   88    HA   PRO  16           HA       PRO  16  -1.914  -7.536  -7.014
   89    HB2  PRO  16           HB2      PRO  16  -2.366  -8.275  -4.389
   90    HB3  PRO  16           HB3      PRO  16  -1.884  -9.397  -5.670
   91    HG2  PRO  16           HG2      PRO  16  -0.118  -7.918  -3.717
   92    HG3  PRO  16           HG3      PRO  16  -0.108  -9.665  -4.094
   93    HD2  PRO  16           HD2      PRO  16   1.655  -8.112  -5.150
   94    HD3  PRO  16           HD3      PRO  16   0.789  -9.227  -6.230
   95    H    THR  17           H        THR  17  -2.934  -5.594  -7.109
   96    HA   THR  17           HA       THR  17  -2.722  -3.674  -4.944
   97    HB   THR  17           HB       THR  17  -4.162  -2.277  -6.463
   98    HG1  THR  17           HG1      THR  17  -3.572  -4.056  -8.531
   99   HG21  THR  17          HG21      THR  17  -2.387  -1.869  -8.130
  100   HG22  THR  17          HG22      THR  17  -1.619  -3.390  -7.677
  101   HG23  THR  17          HG23      THR  17  -1.711  -2.069  -6.513
  102    H    VAL  18           H        VAL  18  -4.845  -6.081  -6.047
  103    HA   VAL  18           HA       VAL  18  -7.218  -5.126  -4.807
  104    HB   VAL  18           HB       VAL  18  -6.470  -7.967  -5.592
  105   HG11  VAL  18          HG11      VAL  18  -8.324  -7.940  -4.019
  106   HG12  VAL  18          HG12      VAL  18  -8.887  -8.394  -5.628
  107   HG13  VAL  18          HG13      VAL  18  -9.175  -6.765  -5.022
  108   HG21  VAL  18          HG21      VAL  18  -7.750  -7.554  -7.636
  109   HG22  VAL  18          HG22      VAL  18  -6.386  -6.439  -7.497
  110   HG23  VAL  18          HG23      VAL  18  -8.018  -5.885  -7.134
  111    H    CYS  19           H        CYS  19  -7.459  -4.995  -2.655
  112    HA   CYS  19           HA       CYS  19  -5.661  -6.271  -0.868
  113    HB2  CYS  19           HB2      CYS  19  -8.052  -4.526  -0.430
  114    HB3  CYS  19           HB3      CYS  19  -7.293  -5.403   0.898
  115    H    ALA  20           H        ALA  20  -6.252  -7.498   0.971
  116    HA   ALA  20           HA       ALA  20  -7.607  -9.849   0.238
  117    HB1  ALA  20           HB1      ALA  20  -6.985 -10.551   2.523
  118    HB2  ALA  20           HB2      ALA  20  -6.453  -8.902   2.853
  119    HB3  ALA  20           HB3      ALA  20  -5.624  -9.866   1.637
  120    H    SER  21           H        SER  21  -9.308 -10.786   1.676
  121    HA   SER  21           HA       SER  21 -11.597  -9.179   1.675
  122    HB2  SER  21           HB2      SER  21 -11.107 -11.797   3.097
  123    HB3  SER  21           HB3      SER  21 -12.681 -11.122   2.672
  124    HG   SER  21           HG       SER  21 -11.509 -11.065   0.453
  125    H    GLY  22           H        GLY  22 -11.965  -7.536   3.007
  126    HA2  GLY  22           HA2      GLY  22 -12.803  -6.955   5.204
  127    HA3  GLY  22           HA3      GLY  22 -11.529  -7.949   5.891
  128    H    THR  23           H        THR  23  -9.956  -6.599   3.503
  129    HA   THR  23           HA       THR  23  -9.242  -4.259   5.110
  130    HB   THR  23           HB       THR  23  -6.912  -4.532   4.083
  131    HG1  THR  23           HG1      THR  23  -8.166  -6.504   2.772
  132   HG21  THR  23          HG21      THR  23  -6.259  -6.260   5.673
  133   HG22  THR  23          HG22      THR  23  -7.943  -6.750   5.837
  134   HG23  THR  23          HG23      THR  23  -7.429  -5.159   6.397
  135    H    THR  24           H        THR  24  -8.505  -2.354   3.966
  136    HA   THR  24           HA       THR  24  -9.392  -2.282   1.189
  137    HB   THR  24           HB       THR  24 -10.252   0.071   1.612
  138    HG1  THR  24           HG1      THR  24  -9.406  -0.494   4.154
  139   HG21  THR  24          HG21      THR  24 -11.806  -1.775   1.288
  140   HG22  THR  24          HG22      THR  24 -12.428  -0.682   2.529
  141   HG23  THR  24          HG23      THR  24 -11.673  -2.206   2.991
  142    H    CYS  25           H        CYS  25  -8.177  -1.011  -0.165
  143    HA   CYS  25           HA       CYS  25  -5.525  -0.466   0.735
  144    HB2  CYS  25           HB2      CYS  25  -6.078  -1.290  -1.565
  145    HB3  CYS  25           HB3      CYS  25  -6.788   0.291  -1.897
  146    H    GLN  26           H        GLN  26  -5.041   1.298   1.922
  147    HA   GLN  26           HA       GLN  26  -6.530   3.709   1.324
  148    HB2  GLN  26           HB2      GLN  26  -5.168   2.794   3.837
  149    HB3  GLN  26           HB3      GLN  26  -5.921   4.366   3.662
  150    HG2  GLN  26           HG2      GLN  26  -8.070   3.100   3.138
  151    HG3  GLN  26           HG3      GLN  26  -7.219   1.653   3.662
  152   HE21  GLN  26          HE21      GLN  26  -8.544   1.285   5.397
  153   HE22  GLN  26          HE22      GLN  26  -8.553   2.306   6.789
  154    H    VAL  27           H        VAL  27  -5.407   5.123   0.199
  155    HA   VAL  27           HA       VAL  27  -2.572   5.014  -0.047
  156    HB   VAL  27           HB       VAL  27  -4.557   7.159  -0.914
  157   HG11  VAL  27          HG11      VAL  27  -2.770   8.010  -2.365
  158   HG12  VAL  27          HG12      VAL  27  -1.655   6.836  -1.670
  159   HG13  VAL  27          HG13      VAL  27  -2.325   8.118  -0.661
  160   HG21  VAL  27          HG21      VAL  27  -3.171   4.996  -2.491
  161   HG22  VAL  27          HG22      VAL  27  -4.218   6.238  -3.163
  162   HG23  VAL  27          HG23      VAL  27  -4.882   5.023  -2.061
  163    H    LEU  28           H        LEU  28  -1.277   5.578   1.562
  164    HA   LEU  28           HA       LEU  28  -2.179   7.487   3.578
  165    HB2  LEU  28           HB2      LEU  28   0.461   6.038   3.424
  166    HB3  LEU  28           HB3      LEU  28  -0.175   6.897   4.802
  167    HG   LEU  28           HG       LEU  28  -1.024   4.226   3.712
  168   HD11  LEU  28          HD11      LEU  28   0.936   4.223   5.101
  169   HD12  LEU  28          HD12      LEU  28  -0.409   3.478   5.965
  170   HD13  LEU  28          HD13      LEU  28   0.088   5.125   6.351
  171   HD21  LEU  28          HD21      LEU  28  -2.687   4.120   5.471
  172   HD22  LEU  28          HD22      LEU  28  -3.057   5.456   4.367
  173   HD23  LEU  28          HD23      LEU  28  -2.330   5.778   5.948
  174    H    ASN  29           H        ASN  29   0.374   6.972   1.247
  175    HA   ASN  29           HA       ASN  29   1.035   9.823   1.219
  176    HB2  ASN  29           HB2      ASN  29   2.991   7.488   1.031
  177    HB3  ASN  29           HB3      ASN  29   3.393   9.196   0.949
  178   HD21  ASN  29          HD21      ASN  29   4.354   7.095   2.696
  179   HD22  ASN  29          HD22      ASN  29   4.060   7.658   4.304
  180    HA   PRO  30           HA       PRO  30   0.471   9.134  -3.102
  181    HB2  PRO  30           HB2      PRO  30   2.924   9.957  -4.235
  182    HB3  PRO  30           HB3      PRO  30   1.443  10.890  -4.122
  183    HG2  PRO  30           HG2      PRO  30   3.870  11.252  -2.665
  184    HG3  PRO  30           HG3      PRO  30   2.382  12.195  -2.532
  185    HD2  PRO  30           HD2      PRO  30   3.488  10.275  -0.707
  186    HD3  PRO  30           HD3      PRO  30   2.036  11.258  -0.486
  187    H    TYR  31           H        TYR  31   3.658   7.976  -2.060
  188    HA   TYR  31           HA       TYR  31   3.410   5.968  -4.159
  189    HB2  TYR  31           HB2      TYR  31   5.853   6.673  -2.508
  190    HB3  TYR  31           HB3      TYR  31   5.790   5.446  -3.752
  191    HD1  TYR  31           HD1      TYR  31   6.520   6.005  -5.884
  192    HD2  TYR  31           HD2      TYR  31   5.065   9.097  -3.356
  193    HE1  TYR  31           HE1      TYR  31   7.084   7.679  -7.598
  194    HE2  TYR  31           HE2      TYR  31   5.620  10.762  -5.054
  195    HH   TYR  31           HH       TYR  31   7.023  11.021  -6.870
  196    H    TYR  32           H        TYR  32   3.339   6.351  -0.724
  197    HA   TYR  32           HA       TYR  32   3.276   3.443  -0.522
  198    HB2  TYR  32           HB2      TYR  32   4.873   4.592   1.010
  199    HB3  TYR  32           HB3      TYR  32   3.500   5.367   1.800
  200    HD1  TYR  32           HD1      TYR  32   5.001   2.079   1.030
  201    HD2  TYR  32           HD2      TYR  32   2.267   4.213   3.474
  202    HE1  TYR  32           HE1      TYR  32   4.732   0.086   2.439
  203    HE2  TYR  32           HE2      TYR  32   1.978   2.242   4.906
  204    HH   TYR  32           HH       TYR  32   2.258  -0.295   4.656
  205    H    SER  33           H        SER  33   1.392   2.550  -0.609
  206    HA   SER  33           HA       SER  33  -0.849   3.844   0.758
  207    HB2  SER  33           HB2      SER  33  -1.007   1.963  -1.628
  208    HB3  SER  33           HB3      SER  33  -2.317   2.907  -0.915
  209    HG   SER  33           HG       SER  33  -1.292   3.811  -2.868
  210    H    GLN  34           H        GLN  34  -1.763   2.591   2.325
  211    HA   GLN  34           HA       GLN  34  -0.548  -0.050   2.736
  212    HB2  GLN  34           HB2      GLN  34   0.173   1.651   4.331
  213    HB3  GLN  34           HB3      GLN  34  -1.494   2.027   4.702
  214    HG2  GLN  34           HG2      GLN  34  -1.801  -0.150   5.702
  215    HG3  GLN  34           HG3      GLN  34  -0.152  -0.598   5.248
  216   HE21  GLN  34          HE21      GLN  34   1.592   0.202   6.468
  217   HE22  GLN  34          HE22      GLN  34   1.345   1.049   7.931
  218    H    CYS  35           H        CYS  35  -1.937  -1.713   3.061
  219    HA   CYS  35           HA       CYS  35  -4.728  -1.095   2.656
  220    HB2  CYS  35           HB2      CYS  35  -3.567  -3.057   1.517
  221    HB3  CYS  35           HB3      CYS  35  -3.616  -3.866   3.071
  222    H    LEU  36           H        LEU  36  -6.004  -0.682   4.196
  223    HA   LEU  36           HA       LEU  36  -5.663  -1.957   6.784
  224    HB2  LEU  36           HB2      LEU  36  -6.498   0.883   6.182
  225    HB3  LEU  36           HB3      LEU  36  -6.530   0.148   7.769
  226    HG   LEU  36           HG       LEU  36  -4.021   0.612   6.159
  227   HD11  LEU  36          HD11      LEU  36  -3.591   2.438   7.735
  228   HD12  LEU  36          HD12      LEU  36  -5.175   2.183   8.465
  229   HD13  LEU  36          HD13      LEU  36  -5.051   2.725   6.788
  230   HD21  LEU  36          HD21      LEU  36  -4.464  -0.219   9.030
  231   HD22  LEU  36          HD22      LEU  36  -2.904   0.161   8.305
  232   HD23  LEU  36          HD23      LEU  36  -3.821  -1.233   7.737
  233    H1   MAN 101           H1       MAN 101   2.305  -7.839   3.434
  234    H2   MAN 101           H2       MAN 101   2.915  -5.499   2.669
  235    H3   MAN 101           H3       MAN 101   1.884  -5.572   0.388
  236    H4   MAN 101           H4       MAN 101   4.058  -7.629  -0.030
  237    H5   MAN 101           H5       MAN 101   1.018  -7.809   0.005
  238    H61  MAN 101           H61      MAN 101   1.893  -9.241  -1.763
  239    H62  MAN 101           H62      MAN 101   1.284 -10.204  -0.403
  240    HO2  MAN 101           HO2      MAN 101   4.941  -6.115   1.914
  241    HO3  MAN 101           HO3      MAN 101   3.829  -4.952  -0.735
  242    HO4  MAN 101           HO4      MAN 101   2.180  -6.488  -1.927
  243    HO6  MAN 101           HO6      MAN 101   3.364 -10.629   0.257
  Start of MODEL   13
    1    H1   THR   1           H1       THR   1  -3.730 -11.622  -4.253
    2    H2   THR   1           H2       THR   1  -3.011 -11.674  -2.753
    3    H3   THR   1           H3       THR   1  -2.232 -10.831  -3.988
    4    HA   THR   1           HA       THR   1  -4.196  -9.307  -3.901
    5    HB   THR   1           HB       THR   1  -5.396  -9.613  -1.618
    6    HG1  THR   1           HG1      THR   1  -4.970 -11.472  -0.606
    7   HG21  THR   1          HG21      THR   1  -5.908 -11.547  -3.901
    8   HG22  THR   1          HG22      THR   1  -6.507  -9.892  -3.805
    9   HG23  THR   1          HG23      THR   1  -7.068 -11.103  -2.650
   10    H    ALA   2           H        ALA   2  -4.209  -7.574  -2.232
   11    HA   ALA   2           HA       ALA   2  -1.575  -7.237  -1.119
   12    HB1  ALA   2           HB1      ALA   2  -2.591  -5.414  -2.344
   13    HB2  ALA   2           HB2      ALA   2  -2.328  -4.950  -0.658
   14    HB3  ALA   2           HB3      ALA   2  -3.949  -5.371  -1.217
   15    H    SER   3           H        SER   3  -1.166  -6.874   1.027
   16    HA   SER   3           HA       SER   3  -3.041  -8.252   2.787
   17    HB2  SER   3           HB2      SER   3  -0.916  -8.695   4.068
   18    HB3  SER   3           HB3      SER   3  -1.047  -9.449   2.471
   19    H    HIS   4           H        HIS   4  -3.195  -7.633   4.940
   20    HA   HIS   4           HA       HIS   4  -3.657  -4.938   5.505
   21    HB2  HIS   4           HB2      HIS   4  -4.658  -6.993   6.619
   22    HB3  HIS   4           HB3      HIS   4  -3.161  -7.165   7.497
   23    HD1  HIS   4           HD1      HIS   4  -4.137  -6.765   9.819
   24    HD2  HIS   4           HD2      HIS   4  -5.068  -3.722   7.142
   25    HE1  HIS   4           HE1      HIS   4  -5.257  -4.993  11.181
   26    HE2  HIS   4           HE2      HIS   4  -6.005  -3.271   9.522
   27    H    TYR   5           H        TYR   5  -2.344  -3.354   5.993
   28    HA   TYR   5           HA       TYR   5  -0.644  -2.103   6.645
   29    HB2  TYR   5           HB2      TYR   5   0.089  -4.481   8.331
   30    HB3  TYR   5           HB3      TYR   5   1.161  -3.096   8.216
   31    HD1  TYR   5           HD1      TYR   5   0.803  -1.188   9.526
   32    HD2  TYR   5           HD2      TYR   5  -2.298  -4.066   9.142
   33    HE1  TYR   5           HE1      TYR   5  -0.479  -0.030  11.281
   34    HE2  TYR   5           HE2      TYR   5  -3.582  -2.915  10.887
   35    HH   TYR   5           HH       TYR   5  -3.184  -1.476  12.736
   36    H    GLY   6           H        GLY   6  -0.470  -4.223   4.431
   37    HA2  GLY   6           HA2      GLY   6   2.371  -3.786   3.886
   38    HA3  GLY   6           HA3      GLY   6   1.327  -4.962   3.077
   39    H    GLN   7           H        GLN   7   2.815  -3.185   1.596
   40    HA   GLN   7           HA       GLN   7   1.282  -0.912   0.878
   41    HB2  GLN   7           HB2      GLN   7   3.737  -1.134   0.460
   42    HB3  GLN   7           HB3      GLN   7   3.375  -2.378  -0.743
   43    HG2  GLN   7           HG2      GLN   7   2.258  -0.780  -2.120
   44    HG3  GLN   7           HG3      GLN   7   2.428   0.493  -0.917
   45   HE21  GLN   7          HE21      GLN   7   3.713   1.869  -2.267
   46   HE22  GLN   7          HE22      GLN   7   5.295   1.421  -2.685
   47    H    CYS   8           H        CYS   8  -0.399  -0.812  -0.403
   48    HA   CYS   8           HA       CYS   8  -1.223  -3.272  -1.779
   49    HB2  CYS   8           HB2      CYS   8  -3.484  -2.290  -1.704
   50    HB3  CYS   8           HB3      CYS   8  -2.786  -2.639  -0.120
   51    H    GLY   9           H        GLY   9  -0.795   0.200  -2.290
   52    HA2  GLY   9           HA2      GLY   9  -0.734  -0.215  -5.119
   53    HA3  GLY   9           HA3      GLY   9  -2.264   0.463  -4.578
   54    H    GLY  10           H        GLY  10   1.159   0.968  -4.027
   55    HA2  GLY  10           HA2      GLY  10   0.640   3.851  -4.217
   56    HA3  GLY  10           HA3      GLY  10   2.038   3.127  -3.415
   57    H    ILE  11           H        ILE  11   2.246   5.064  -5.482
   58    HA   ILE  11           HA       ILE  11   2.707   3.899  -8.002
   59    HB   ILE  11           HB       ILE  11   4.187   6.280  -6.840
   60   HG12  ILE  11          HG12      ILE  11   1.614   6.255  -8.447
   61   HG13  ILE  11          HG13      ILE  11   1.712   6.540  -6.715
   62   HG21  ILE  11          HG21      ILE  11   4.462   6.932  -9.213
   63   HG22  ILE  11          HG22      ILE  11   3.640   5.446  -9.699
   64   HG23  ILE  11          HG23      ILE  11   5.192   5.358  -8.879
   65   HD11  ILE  11          HD11      ILE  11   3.064   8.542  -7.136
   66   HD12  ILE  11          HD12      ILE  11   1.478   8.625  -7.890
   67   HD13  ILE  11          HD13      ILE  11   2.900   8.268  -8.874
   68    H    GLY  12           H        GLY  12   4.109   2.396  -8.498
   69    HA2  GLY  12           HA2      GLY  12   6.460   1.818  -8.743
   70    HA3  GLY  12           HA3      GLY  12   6.688   2.321  -7.074
   71    H    TYR  13           H        TYR  13   3.883   0.906  -6.757
   72    HA   TYR  13           HA       TYR  13   5.098  -1.638  -6.077
   73    HB2  TYR  13           HB2      TYR  13   3.712  -0.518  -4.372
   74    HB3  TYR  13           HB3      TYR  13   2.335  -0.556  -5.454
   75    HD1  TYR  13           HD1      TYR  13   0.767  -2.219  -5.099
   76    HD2  TYR  13           HD2      TYR  13   4.781  -2.957  -3.904
   77    HE1  TYR  13           HE1      TYR  13   0.074  -4.365  -4.131
   78    HE2  TYR  13           HE2      TYR  13   4.094  -5.115  -2.923
   79    HH   TYR  13           HH       TYR  13   0.910  -6.412  -3.465
   80    H    SER  14           H        SER  14   5.171  -3.076  -7.628
   81    HA   SER  14           HA       SER  14   3.193  -3.060  -9.743
   82    HB2  SER  14           HB2      SER  14   4.799  -4.710 -10.789
   83    HB3  SER  14           HB3      SER  14   5.451  -3.103 -10.489
   84    HG   SER  14           HG       SER  14   6.842  -3.910  -9.222
   85    H    GLY  15           H        GLY  15   3.200  -4.324  -6.842
   86    HA2  GLY  15           HA2      GLY  15   2.486  -7.078  -7.443
   87    HA3  GLY  15           HA3      GLY  15   2.491  -6.341  -5.844
   88    HA   PRO  16           HA       PRO  16  -1.962  -7.120  -7.301
   89    HB2  PRO  16           HB2      PRO  16  -2.535  -8.115  -4.789
   90    HB3  PRO  16           HB3      PRO  16  -2.064  -9.112  -6.175
   91    HG2  PRO  16           HG2      PRO  16  -0.302  -7.922  -4.037
   92    HG3  PRO  16           HG3      PRO  16  -0.372  -9.632  -4.555
   93    HD2  PRO  16           HD2      PRO  16   1.516  -8.142  -5.457
   94    HD3  PRO  16           HD3      PRO  16   0.565  -9.045  -6.661
   95    H    THR  17           H        THR  17  -3.139  -5.303  -7.130
   96    HA   THR  17           HA       THR  17  -2.730  -3.469  -4.933
   97    HB   THR  17           HB       THR  17  -4.255  -2.037  -6.365
   98    HG1  THR  17           HG1      THR  17  -5.230  -3.151  -7.813
   99   HG21  THR  17          HG21      THR  17  -1.691  -3.076  -7.591
  100   HG22  THR  17          HG22      THR  17  -1.810  -1.788  -6.394
  101   HG23  THR  17          HG23      THR  17  -2.477  -1.554  -8.011
  102    H    VAL  18           H        VAL  18  -5.003  -5.857  -5.868
  103    HA   VAL  18           HA       VAL  18  -7.170  -4.668  -4.350
  104    HB   VAL  18           HB       VAL  18  -7.017  -7.426  -5.620
  105   HG11  VAL  18          HG11      VAL  18  -9.468  -7.464  -5.366
  106   HG12  VAL  18          HG12      VAL  18  -9.397  -5.928  -4.505
  107   HG13  VAL  18          HG13      VAL  18  -8.644  -7.363  -3.809
  108   HG21  VAL  18          HG21      VAL  18  -8.441  -6.495  -7.377
  109   HG22  VAL  18          HG22      VAL  18  -6.905  -5.629  -7.283
  110   HG23  VAL  18          HG23      VAL  18  -8.367  -4.914  -6.604
  111    H    CYS  19           H        CYS  19  -7.539  -5.004  -2.287
  112    HA   CYS  19           HA       CYS  19  -5.679  -6.495  -0.712
  113    HB2  CYS  19           HB2      CYS  19  -8.096  -4.857  -0.031
  114    HB3  CYS  19           HB3      CYS  19  -7.149  -5.738   1.167
  115    H    ALA  20           H        ALA  20  -6.510  -7.808   1.120
  116    HA   ALA  20           HA       ALA  20  -8.074  -9.992   0.117
  117    HB1  ALA  20           HB1      ALA  20  -6.742  -9.475   2.761
  118    HB2  ALA  20           HB2      ALA  20  -6.071 -10.397   1.419
  119    HB3  ALA  20           HB3      ALA  20  -7.482 -11.008   2.297
  120    H    SER  21           H        SER  21  -9.640 -10.955   1.894
  121    HA   SER  21           HA       SER  21 -11.882  -9.325   1.994
  122    HB2  SER  21           HB2      SER  21 -11.274 -11.803   3.599
  123    HB3  SER  21           HB3      SER  21 -12.867 -11.165   3.181
  124    HG   SER  21           HG       SER  21 -12.430 -11.529   1.038
  125    H    GLY  22           H        GLY  22 -12.278  -7.681   3.327
  126    HA2  GLY  22           HA2      GLY  22 -12.802  -6.864   5.467
  127    HA3  GLY  22           HA3      GLY  22 -11.636  -7.983   6.155
  128    H    THR  23           H        THR  23 -10.286  -6.453   3.509
  129    HA   THR  23           HA       THR  23  -9.220  -4.294   5.171
  130    HB   THR  23           HB       THR  23  -6.952  -4.835   3.935
  131    HG1  THR  23           HG1      THR  23  -8.392  -6.724   2.901
  132   HG21  THR  23          HG21      THR  23  -7.277  -4.998   6.358
  133   HG22  THR  23          HG22      THR  23  -6.319  -6.352   5.753
  134   HG23  THR  23          HG23      THR  23  -8.017  -6.588   6.159
  135    H    THR  24           H        THR  24  -8.410  -2.433   4.006
  136    HA   THR  24           HA       THR  24  -9.300  -2.304   1.206
  137    HB   THR  24           HB       THR  24 -10.000   0.079   1.698
  138    HG1  THR  24           HG1      THR  24  -9.184  -0.650   4.213
  139   HG21  THR  24          HG21      THR  24 -12.214  -0.575   2.541
  140   HG22  THR  24          HG22      THR  24 -11.563  -2.152   3.002
  141   HG23  THR  24          HG23      THR  24 -11.636  -1.694   1.305
  142    H    CYS  25           H        CYS  25  -8.105  -0.965  -0.147
  143    HA   CYS  25           HA       CYS  25  -5.425  -0.467   0.764
  144    HB2  CYS  25           HB2      CYS  25  -5.874  -1.379  -1.500
  145    HB3  CYS  25           HB3      CYS  25  -6.706   0.118  -1.912
  146    H    GLN  26           H        GLN  26  -5.069   1.290   1.978
  147    HA   GLN  26           HA       GLN  26  -6.505   3.684   1.248
  148    HB2  GLN  26           HB2      GLN  26  -5.299   2.809   3.860
  149    HB3  GLN  26           HB3      GLN  26  -5.960   4.416   3.572
  150    HG2  GLN  26           HG2      GLN  26  -8.144   3.416   3.070
  151    HG3  GLN  26           HG3      GLN  26  -7.475   1.821   3.362
  152   HE21  GLN  26          HE21      GLN  26  -8.924   1.391   4.973
  153   HE22  GLN  26          HE22      GLN  26  -8.845   2.120   6.528
  154    H    VAL  27           H        VAL  27  -5.415   5.084   0.216
  155    HA   VAL  27           HA       VAL  27  -2.576   4.951  -0.105
  156    HB   VAL  27           HB       VAL  27  -4.549   7.070  -1.030
  157   HG11  VAL  27          HG11      VAL  27  -1.719   6.537  -1.920
  158   HG12  VAL  27          HG12      VAL  27  -2.263   7.919  -0.980
  159   HG13  VAL  27          HG13      VAL  27  -2.809   7.717  -2.648
  160   HG21  VAL  27          HG21      VAL  27  -4.422   5.959  -3.215
  161   HG22  VAL  27          HG22      VAL  27  -5.072   4.881  -1.976
  162   HG23  VAL  27          HG23      VAL  27  -3.399   4.709  -2.513
  163    H    LEU  28           H        LEU  28  -1.322   5.594   1.508
  164    HA   LEU  28           HA       LEU  28  -2.181   7.658   3.368
  165    HB2  LEU  28           HB2      LEU  28   0.456   6.173   3.239
  166    HB3  LEU  28           HB3      LEU  28  -0.117   7.152   4.571
  167    HG   LEU  28           HG       LEU  28  -1.233   4.488   3.689
  168   HD11  LEU  28          HD11      LEU  28  -0.439   3.725   5.871
  169   HD12  LEU  28          HD12      LEU  28   0.253   5.320   6.164
  170   HD13  LEU  28          HD13      LEU  28   0.876   4.315   4.858
  171   HD21  LEU  28          HD21      LEU  28  -2.066   6.278   5.948
  172   HD22  LEU  28          HD22      LEU  28  -2.619   4.622   5.674
  173   HD23  LEU  28          HD23      LEU  28  -3.032   5.897   4.512
  174    H    ASN  29           H        ASN  29   0.416   7.019   1.101
  175    HA   ASN  29           HA       ASN  29   0.797   9.879   0.689
  176    HB2  ASN  29           HB2      ASN  29   2.961   7.737   0.951
  177    HB3  ASN  29           HB3      ASN  29   3.209   9.390   0.387
  178   HD21  ASN  29          HD21      ASN  29   4.316   7.914   2.688
  179   HD22  ASN  29          HD22      ASN  29   3.973   8.890   4.056
  180    HA   PRO  30           HA       PRO  30   0.278   8.684  -3.508
  181    HB2  PRO  30           HB2      PRO  30   2.660   9.633  -4.703
  182    HB3  PRO  30           HB3      PRO  30   1.069  10.382  -4.735
  183    HG2  PRO  30           HG2      PRO  30   3.376  11.244  -3.322
  184    HG3  PRO  30           HG3      PRO  30   1.761  11.962  -3.265
  185    HD2  PRO  30           HD2      PRO  30   3.148  10.401  -1.296
  186    HD3  PRO  30           HD3      PRO  30   1.595  11.207  -1.113
  187    H    TYR  31           H        TYR  31   3.549   7.981  -2.354
  188    HA   TYR  31           HA       TYR  31   3.581   5.802  -4.276
  189    HB2  TYR  31           HB2      TYR  31   5.822   6.864  -2.532
  190    HB3  TYR  31           HB3      TYR  31   5.968   5.513  -3.637
  191    HD1  TYR  31           HD1      TYR  31   6.527   5.872  -5.877
  192    HD2  TYR  31           HD2      TYR  31   5.156   9.169  -3.573
  193    HE1  TYR  31           HE1      TYR  31   7.085   7.387  -7.718
  194    HE2  TYR  31           HE2      TYR  31   5.707  10.691  -5.408
  195    HH   TYR  31           HH       TYR  31   6.484   9.544  -8.535
  196    H    TYR  32           H        TYR  32   3.304   6.404  -0.845
  197    HA   TYR  32           HA       TYR  32   3.268   3.502  -0.524
  198    HB2  TYR  32           HB2      TYR  32   4.833   4.667   1.000
  199    HB3  TYR  32           HB3      TYR  32   3.452   5.490   1.734
  200    HD1  TYR  32           HD1      TYR  32   4.692   2.086   0.927
  201    HD2  TYR  32           HD2      TYR  32   2.353   4.477   3.548
  202    HE1  TYR  32           HE1      TYR  32   4.312   0.134   2.343
  203    HE2  TYR  32           HE2      TYR  32   1.962   2.526   4.989
  204    HH   TYR  32           HH       TYR  32   3.736  -0.397   4.548
  205    H    SER  33           H        SER  33   1.432   2.583  -0.643
  206    HA   SER  33           HA       SER  33  -0.840   3.830   0.721
  207    HB2  SER  33           HB2      SER  33  -0.956   2.004  -1.711
  208    HB3  SER  33           HB3      SER  33  -2.313   2.824  -0.934
  209    HG   SER  33           HG       SER  33  -1.243   3.800  -2.907
  210    H    GLN  34           H        GLN  34  -1.823   2.502   2.205
  211    HA   GLN  34           HA       GLN  34  -0.546  -0.113   2.563
  212    HB2  GLN  34           HB2      GLN  34   0.247   1.544   4.173
  213    HB3  GLN  34           HB3      GLN  34  -1.405   1.905   4.632
  214    HG2  GLN  34           HG2      GLN  34  -1.676  -0.280   5.572
  215    HG3  GLN  34           HG3      GLN  34  -0.085  -0.762   4.985
  216   HE21  GLN  34          HE21      GLN  34   1.731   0.048   5.980
  217   HE22  GLN  34          HE22      GLN  34   1.691   0.750   7.551
  218    H    CYS  35           H        CYS  35  -1.899  -1.790   3.004
  219    HA   CYS  35           HA       CYS  35  -4.703  -1.229   2.647
  220    HB2  CYS  35           HB2      CYS  35  -3.522  -3.282   1.612
  221    HB3  CYS  35           HB3      CYS  35  -3.562  -3.936   3.244
  222    H    LEU  36           H        LEU  36  -5.948  -0.754   4.223
  223    HA   LEU  36           HA       LEU  36  -5.395  -1.813   6.871
  224    HB2  LEU  36           HB2      LEU  36  -6.501   0.889   6.108
  225    HB3  LEU  36           HB3      LEU  36  -6.437   0.274   7.746
  226    HG   LEU  36           HG       LEU  36  -4.042   0.839   5.999
  227   HD11  LEU  36          HD11      LEU  36  -3.613   2.676   7.559
  228   HD12  LEU  36          HD12      LEU  36  -5.122   2.314   8.396
  229   HD13  LEU  36          HD13      LEU  36  -5.155   2.881   6.725
  230   HD21  LEU  36          HD21      LEU  36  -4.215  -0.041   8.879
  231   HD22  LEU  36          HD22      LEU  36  -2.748   0.464   8.050
  232   HD23  LEU  36          HD23      LEU  36  -3.591  -0.989   7.525
  233    H1   MAN 101           H1       MAN 101   1.544  -9.185   3.377
  234    H2   MAN 101           H2       MAN 101   2.560  -6.858   2.624
  235    H3   MAN 101           H3       MAN 101   3.130  -6.550   0.456
  236    H4   MAN 101           H4       MAN 101   1.622  -7.690  -1.272
  237    H5   MAN 101           H5       MAN 101  -0.358  -8.877   0.211
  238    H61  MAN 101           H61      MAN 101   0.539  -9.741  -1.890
  239    H62  MAN 101           H62      MAN 101   0.323 -11.021  -0.689
  240    HO2  MAN 101           HO2      MAN 101   3.701  -9.372   1.953
  241    HO3  MAN 101           HO3      MAN 101   4.520  -8.265   0.648
  242    HO4  MAN 101           HO4      MAN 101   0.935  -5.824  -0.242
  243    HO6  MAN 101           HO6      MAN 101   2.822  -9.901  -0.498
  Start of MODEL   14
    1    H1   THR   1           H1       THR   1  -4.075 -12.074  -3.830
    2    H2   THR   1           H2       THR   1  -3.354 -12.122  -2.294
    3    H3   THR   1           H3       THR   1  -2.547 -11.384  -3.581
    4    HA   THR   1           HA       THR   1  -4.213  -9.686  -3.630
    5    HB   THR   1           HB       THR   1  -5.810  -9.724  -1.610
    6    HG1  THR   1           HG1      THR   1  -6.222 -11.907  -0.838
    7   HG21  THR   1          HG21      THR   1  -6.586 -10.130  -3.915
    8   HG22  THR   1          HG22      THR   1  -7.453 -11.154  -2.769
    9   HG23  THR   1          HG23      THR   1  -6.163 -11.835  -3.758
   10    H    ALA   2           H        ALA   2  -4.061  -7.858  -2.086
   11    HA   ALA   2           HA       ALA   2  -1.518  -7.870  -0.809
   12    HB1  ALA   2           HB1      ALA   2  -2.355  -5.874  -1.947
   13    HB2  ALA   2           HB2      ALA   2  -1.991  -5.533  -0.259
   14    HB3  ALA   2           HB3      ALA   2  -3.666  -5.735  -0.774
   15    H    SER   3           H        SER   3  -1.033  -7.736   1.354
   16    HA   SER   3           HA       SER   3  -3.005  -8.920   3.104
   17    HB2  SER   3           HB2      SER   3  -0.992  -9.242   4.526
   18    HB3  SER   3           HB3      SER   3  -0.827  -9.939   2.907
   19    H    HIS   4           H        HIS   4  -3.109  -8.102   5.333
   20    HA   HIS   4           HA       HIS   4  -3.690  -5.323   5.429
   21    HB2  HIS   4           HB2      HIS   4  -4.807  -7.150   6.797
   22    HB3  HIS   4           HB3      HIS   4  -3.332  -7.270   7.725
   23    HD1  HIS   4           HD1      HIS   4  -4.404  -6.575   9.923
   24    HD2  HIS   4           HD2      HIS   4  -4.933  -3.789   6.901
   25    HE1  HIS   4           HE1      HIS   4  -5.454  -4.584  11.030
   26    HE2  HIS   4           HE2      HIS   4  -6.027  -3.052   9.140
   27    H    TYR   5           H        TYR   5  -2.330  -3.707   5.840
   28    HA   TYR   5           HA       TYR   5  -0.637  -2.483   6.546
   29    HB2  TYR   5           HB2      TYR   5   0.230  -4.918   8.096
   30    HB3  TYR   5           HB3      TYR   5   1.253  -3.490   7.993
   31    HD1  TYR   5           HD1      TYR   5   0.595  -1.416   9.052
   32    HD2  TYR   5           HD2      TYR   5  -1.822  -4.897   9.398
   33    HE1  TYR   5           HE1      TYR   5  -0.606  -0.381  10.916
   34    HE2  TYR   5           HE2      TYR   5  -3.029  -3.862  11.278
   35    HH   TYR   5           HH       TYR   5  -2.723  -0.553  11.998
   36    H    GLY   6           H        GLY   6  -0.575  -4.631   4.281
   37    HA2  GLY   6           HA2      GLY   6   2.233  -4.223   3.573
   38    HA3  GLY   6           HA3      GLY   6   1.079  -5.255   2.731
   39    H    GLN   7           H        GLN   7   2.712  -3.326   1.434
   40    HA   GLN   7           HA       GLN   7   1.154  -0.999   0.872
   41    HB2  GLN   7           HB2      GLN   7   3.607  -1.036   0.494
   42    HB3  GLN   7           HB3      GLN   7   3.385  -2.287  -0.737
   43    HG2  GLN   7           HG2      GLN   7   2.241  -0.738  -2.146
   44    HG3  GLN   7           HG3      GLN   7   2.279   0.532  -0.933
   45   HE21  GLN   7          HE21      GLN   7   3.589   2.002  -2.207
   46   HE22  GLN   7          HE22      GLN   7   5.201   1.622  -2.568
   47    H    CYS   8           H        CYS   8  -0.505  -0.876  -0.426
   48    HA   CYS   8           HA       CYS   8  -1.240  -3.293  -1.914
   49    HB2  CYS   8           HB2      CYS   8  -3.501  -2.211  -1.919
   50    HB3  CYS   8           HB3      CYS   8  -2.883  -2.744  -0.354
   51    H    GLY   9           H        GLY   9  -0.946   0.222  -2.340
   52    HA2  GLY   9           HA2      GLY   9  -0.892  -0.197  -5.204
   53    HA3  GLY   9           HA3      GLY   9  -2.355   0.572  -4.589
   54    H    GLY  10           H        GLY  10   1.111   0.850  -4.226
   55    HA2  GLY  10           HA2      GLY  10   0.717   3.753  -4.231
   56    HA3  GLY  10           HA3      GLY  10   2.118   2.927  -3.555
   57    H    ILE  11           H        ILE  11   2.165   5.012  -5.525
   58    HA   ILE  11           HA       ILE  11   2.585   4.003  -8.109
   59    HB   ILE  11           HB       ILE  11   3.963   6.384  -6.820
   60   HG12  ILE  11          HG12      ILE  11   1.395   6.324  -8.420
   61   HG13  ILE  11          HG13      ILE  11   1.476   6.492  -6.667
   62   HG21  ILE  11          HG21      ILE  11   4.188   7.215  -9.123
   63   HG22  ILE  11          HG22      ILE  11   3.434   5.737  -9.725
   64   HG23  ILE  11          HG23      ILE  11   5.002   5.662  -8.920
   65   HD11  ILE  11          HD11      ILE  11   2.604   8.427  -8.682
   66   HD12  ILE  11          HD12      ILE  11   2.650   8.611  -6.927
   67   HD13  ILE  11          HD13      ILE  11   1.104   8.627  -7.777
   68    H    GLY  12           H        GLY  12   4.098   2.657  -8.805
   69    HA2  GLY  12           HA2      GLY  12   6.398   2.131  -9.117
   70    HA3  GLY  12           HA3      GLY  12   6.700   2.615  -7.447
   71    H    TYR  13           H        TYR  13   3.950   1.168  -7.066
   72    HA   TYR  13           HA       TYR  13   5.184  -1.423  -6.556
   73    HB2  TYR  13           HB2      TYR  13   4.202  -0.262  -4.618
   74    HB3  TYR  13           HB3      TYR  13   2.655  -0.190  -5.448
   75    HD1  TYR  13           HD1      TYR  13   5.174  -2.577  -4.130
   76    HD2  TYR  13           HD2      TYR  13   1.111  -1.919  -5.184
   77    HE1  TYR  13           HE1      TYR  13   4.572  -4.723  -3.122
   78    HE2  TYR  13           HE2      TYR  13   0.500  -4.073  -4.187
   79    HH   TYR  13           HH       TYR  13   1.340  -6.023  -3.467
   80    H    SER  14           H        SER  14   4.792  -2.932  -8.004
   81    HA   SER  14           HA       SER  14   2.286  -2.813  -9.493
   82    HB2  SER  14           HB2      SER  14   3.620  -4.106 -11.233
   83    HB3  SER  14           HB3      SER  14   4.096  -2.429 -10.979
   84    HG   SER  14           HG       SER  14   5.459  -4.723 -10.592
   85    H    GLY  15           H        GLY  15   3.135  -4.177  -6.892
   86    HA2  GLY  15           HA2      GLY  15   2.848  -7.017  -7.469
   87    HA3  GLY  15           HA3      GLY  15   2.944  -6.282  -5.865
   88    HA   PRO  16           HA       PRO  16  -1.431  -7.825  -6.339
   89    HB2  PRO  16           HB2      PRO  16  -1.486  -8.138  -3.554
   90    HB3  PRO  16           HB3      PRO  16  -1.182  -9.431  -4.718
   91    HG2  PRO  16           HG2      PRO  16   0.796  -7.725  -3.235
   92    HG3  PRO  16           HG3      PRO  16   0.838  -9.490  -3.510
   93    HD2  PRO  16           HD2      PRO  16   2.352  -7.901  -4.904
   94    HD3  PRO  16           HD3      PRO  16   1.447  -9.172  -5.754
   95    H    THR  17           H        THR  17  -2.560  -5.976  -6.697
   96    HA   THR  17           HA       THR  17  -2.353  -3.750  -4.859
   97    HB   THR  17           HB       THR  17  -3.806  -2.705  -6.693
   98    HG1  THR  17           HG1      THR  17  -4.168  -3.877  -8.437
   99   HG21  THR  17          HG21      THR  17  -1.030  -3.695  -7.392
  100   HG22  THR  17          HG22      THR  17  -1.387  -2.249  -6.452
  101   HG23  THR  17          HG23      THR  17  -1.848  -2.334  -8.155
  102    H    VAL  18           H        VAL  18  -4.445  -6.332  -5.656
  103    HA   VAL  18           HA       VAL  18  -6.789  -5.033  -4.558
  104    HB   VAL  18           HB       VAL  18  -6.475  -7.885  -5.551
  105   HG11  VAL  18          HG11      VAL  18  -8.962  -6.264  -5.014
  106   HG12  VAL  18          HG12      VAL  18  -8.358  -7.597  -4.030
  107   HG13  VAL  18          HG13      VAL  18  -8.918  -7.899  -5.675
  108   HG21  VAL  18          HG21      VAL  18  -7.581  -7.113  -7.606
  109   HG22  VAL  18          HG22      VAL  18  -6.040  -6.294  -7.352
  110   HG23  VAL  18          HG23      VAL  18  -7.551  -5.463  -6.990
  111    H    CYS  19           H        CYS  19  -7.158  -5.092  -2.496
  112    HA   CYS  19           HA       CYS  19  -5.571  -6.574  -0.661
  113    HB2  CYS  19           HB2      CYS  19  -7.962  -4.793  -0.327
  114    HB3  CYS  19           HB3      CYS  19  -7.160  -5.605   1.018
  115    H    ALA  20           H        ALA  20  -6.591  -7.744   1.174
  116    HA   ALA  20           HA       ALA  20  -8.202  -9.909   0.236
  117    HB1  ALA  20           HB1      ALA  20  -7.183  -9.213   2.996
  118    HB2  ALA  20           HB2      ALA  20  -6.367 -10.251   1.831
  119    HB3  ALA  20           HB3      ALA  20  -7.912 -10.750   2.527
  120    H    SER  21           H        SER  21 -10.187 -10.536   1.433
  121    HA   SER  21           HA       SER  21 -12.066  -8.477   1.509
  122    HB2  SER  21           HB2      SER  21 -12.207 -11.250   2.692
  123    HB3  SER  21           HB3      SER  21 -13.579 -10.231   2.250
  124    HG   SER  21           HG       SER  21 -12.843 -10.271   0.126
  125    H    GLY  22           H        GLY  22 -12.157  -6.964   3.016
  126    HA2  GLY  22           HA2      GLY  22 -12.794  -6.433   5.287
  127    HA3  GLY  22           HA3      GLY  22 -11.744  -7.736   5.822
  128    H    THR  23           H        THR  23 -10.286  -6.089   3.316
  129    HA   THR  23           HA       THR  23  -9.050  -4.151   5.094
  130    HB   THR  23           HB       THR  23  -6.833  -4.644   3.897
  131    HG1  THR  23           HG1      THR  23  -8.407  -6.536   2.736
  132   HG21  THR  23          HG21      THR  23  -7.194  -5.266   6.230
  133   HG22  THR  23          HG22      THR  23  -6.248  -6.500   5.396
  134   HG23  THR  23          HG23      THR  23  -7.958  -6.771   5.720
  135    H    THR  24           H        THR  24  -8.262  -2.230   4.033
  136    HA   THR  24           HA       THR  24  -9.247  -1.974   1.294
  137    HB   THR  24           HB       THR  24  -9.982   0.379   1.862
  138    HG1  THR  24           HG1      THR  24  -9.135  -0.369   4.414
  139   HG21  THR  24          HG21      THR  24 -12.138  -0.295   2.864
  140   HG22  THR  24          HG22      THR  24 -11.448  -1.869   3.252
  141   HG23  THR  24          HG23      THR  24 -11.638  -1.379   1.569
  142    H    CYS  25           H        CYS  25  -8.007  -0.766  -0.070
  143    HA   CYS  25           HA       CYS  25  -5.317  -0.256   0.797
  144    HB2  CYS  25           HB2      CYS  25  -5.950  -1.078  -1.527
  145    HB3  CYS  25           HB3      CYS  25  -6.606   0.538  -1.810
  146    H    GLN  26           H        GLN  26  -4.883   1.490   2.005
  147    HA   GLN  26           HA       GLN  26  -6.436   3.851   1.430
  148    HB2  GLN  26           HB2      GLN  26  -4.972   3.001   3.903
  149    HB3  GLN  26           HB3      GLN  26  -5.645   4.611   3.691
  150    HG2  GLN  26           HG2      GLN  26  -7.872   3.589   3.379
  151    HG3  GLN  26           HG3      GLN  26  -7.167   2.008   3.689
  152   HE21  GLN  26          HE21      GLN  26  -8.429   1.650   5.446
  153   HE22  GLN  26          HE22      GLN  26  -8.238   2.453   6.946
  154    H    VAL  27           H        VAL  27  -5.533   5.633   0.793
  155    HA   VAL  27           HA       VAL  27  -2.777   5.606  -0.033
  156    HB   VAL  27           HB       VAL  27  -4.816   7.849  -0.209
  157   HG11  VAL  27          HG11      VAL  27  -2.528   8.639  -0.397
  158   HG12  VAL  27          HG12      VAL  27  -3.350   8.768  -1.954
  159   HG13  VAL  27          HG13      VAL  27  -2.205   7.459  -1.662
  160   HG21  VAL  27          HG21      VAL  27  -4.044   5.830  -2.302
  161   HG22  VAL  27          HG22      VAL  27  -5.143   7.186  -2.534
  162   HG23  VAL  27          HG23      VAL  27  -5.579   5.875  -1.432
  163    H    LEU  28           H        LEU  28  -1.503   5.735   1.731
  164    HA   LEU  28           HA       LEU  28  -2.022   7.680   3.812
  165    HB2  LEU  28           HB2      LEU  28   0.501   6.094   3.314
  166    HB3  LEU  28           HB3      LEU  28   0.080   6.942   4.781
  167    HG   LEU  28           HG       LEU  28  -1.169   4.410   3.724
  168   HD11  LEU  28          HD11      LEU  28   0.980   4.151   4.792
  169   HD12  LEU  28          HD12      LEU  28  -0.305   3.446   5.769
  170   HD13  LEU  28          HD13      LEU  28   0.399   5.004   6.219
  171   HD21  LEU  28          HD21      LEU  28  -1.898   6.010   6.157
  172   HD22  LEU  28          HD22      LEU  28  -2.514   4.406   5.751
  173   HD23  LEU  28          HD23      LEU  28  -2.898   5.790   4.716
  174    H    ASN  29           H        ASN  29   0.056   7.151   1.082
  175    HA   ASN  29           HA       ASN  29   0.661   9.953   0.846
  176    HB2  ASN  29           HB2      ASN  29   2.749   7.731   0.950
  177    HB3  ASN  29           HB3      ASN  29   3.070   9.377   0.427
  178   HD21  ASN  29          HD21      ASN  29   2.572   7.274   3.101
  179   HD22  ASN  29          HD22      ASN  29   2.945   8.421   4.332
  180    HA   PRO  30           HA       PRO  30  -0.041   8.819  -3.365
  181    HB2  PRO  30           HB2      PRO  30   2.325   9.751  -4.612
  182    HB3  PRO  30           HB3      PRO  30   0.743  10.509  -4.605
  183    HG2  PRO  30           HG2      PRO  30   3.054  11.395  -3.268
  184    HG3  PRO  30           HG3      PRO  30   1.417  12.044  -3.091
  185    HD2  PRO  30           HD2      PRO  30   2.977  10.401  -1.273
  186    HD3  PRO  30           HD3      PRO  30   1.464  11.264  -0.967
  187    H    TYR  31           H        TYR  31   3.322   8.123  -2.420
  188    HA   TYR  31           HA       TYR  31   3.298   5.999  -4.403
  189    HB2  TYR  31           HB2      TYR  31   5.619   7.001  -2.717
  190    HB3  TYR  31           HB3      TYR  31   5.708   5.791  -3.984
  191    HD1  TYR  31           HD1      TYR  31   6.034   6.417  -6.203
  192    HD2  TYR  31           HD2      TYR  31   4.877   9.374  -3.385
  193    HE1  TYR  31           HE1      TYR  31   6.373   8.152  -7.887
  194    HE2  TYR  31           HE2      TYR  31   5.225  11.124  -5.065
  195    HH   TYR  31           HH       TYR  31   5.709  10.333  -8.388
  196    H    TYR  32           H        TYR  32   3.297   6.501  -0.951
  197    HA   TYR  32           HA       TYR  32   3.267   3.594  -0.679
  198    HB2  TYR  32           HB2      TYR  32   4.861   4.820   0.794
  199    HB3  TYR  32           HB3      TYR  32   3.486   5.596   1.576
  200    HD1  TYR  32           HD1      TYR  32   4.912   2.254   0.806
  201    HD2  TYR  32           HD2      TYR  32   2.399   4.522   3.383
  202    HE1  TYR  32           HE1      TYR  32   4.668   0.300   2.272
  203    HE2  TYR  32           HE2      TYR  32   2.159   2.558   4.859
  204    HH   TYR  32           HH       TYR  32   4.108  -0.172   4.590
  205    H    SER  33           H        SER  33   1.402   2.681  -0.745
  206    HA   SER  33           HA       SER  33  -0.801   3.905   0.728
  207    HB2  SER  33           HB2      SER  33  -0.998   2.280  -1.838
  208    HB3  SER  33           HB3      SER  33  -2.342   2.944  -0.922
  209    HG   SER  33           HG       SER  33  -0.652   4.941  -1.427
  210    H    GLN  34           H        GLN  34  -1.710   2.505   2.183
  211    HA   GLN  34           HA       GLN  34  -0.466  -0.157   2.270
  212    HB2  GLN  34           HB2      GLN  34   0.352   1.556   3.941
  213    HB3  GLN  34           HB3      GLN  34  -1.262   1.535   4.626
  214    HG2  GLN  34           HG2      GLN  34  -1.033  -0.826   5.125
  215    HG3  GLN  34           HG3      GLN  34   0.591  -0.817   4.433
  216   HE21  GLN  34          HE21      GLN  34   1.631  -1.354   6.288
  217   HE22  GLN  34          HE22      GLN  34   1.772  -0.281   7.632
  218    H    CYS  35           H        CYS  35  -1.814  -1.827   2.890
  219    HA   CYS  35           HA       CYS  35  -4.611  -1.206   2.583
  220    HB2  CYS  35           HB2      CYS  35  -3.455  -3.202   1.463
  221    HB3  CYS  35           HB3      CYS  35  -3.486  -3.945   3.056
  222    H    LEU  36           H        LEU  36  -5.797  -0.733   4.209
  223    HA   LEU  36           HA       LEU  36  -5.229  -1.881   6.823
  224    HB2  LEU  36           HB2      LEU  36  -6.140   0.925   6.188
  225    HB3  LEU  36           HB3      LEU  36  -5.930   0.264   7.794
  226    HG   LEU  36           HG       LEU  36  -3.728   0.722   5.783
  227   HD11  LEU  36          HD11      LEU  36  -4.606   2.806   6.678
  228   HD12  LEU  36          HD12      LEU  36  -2.988   2.487   7.302
  229   HD13  LEU  36          HD13      LEU  36  -4.397   2.203   8.322
  230   HD21  LEU  36          HD21      LEU  36  -3.600  -0.252   8.639
  231   HD22  LEU  36          HD22      LEU  36  -2.209   0.212   7.662
  232   HD23  LEU  36          HD23      LEU  36  -3.193  -1.168   7.187
  233    H1   MAN 101           H1       MAN 101   1.539  -9.468   4.211
  234    H2   MAN 101           H2       MAN 101   2.422  -7.223   2.339
  235    H3   MAN 101           H3       MAN 101   4.630  -7.721   2.961
  236    H4   MAN 101           H4       MAN 101   4.919 -10.036   1.922
  237    H5   MAN 101           H5       MAN 101   2.745 -11.103   1.108
  238    H61  MAN 101           H61      MAN 101   3.168 -10.886   4.122
  239    H62  MAN 101           H62      MAN 101   3.756 -12.158   3.038
  240    HO2  MAN 101           HO2      MAN 101   1.618  -6.734   4.391
  241    HO3  MAN 101           HO3      MAN 101   4.032  -8.526   5.026
  242    HO4  MAN 101           HO4      MAN 101   4.489  -8.110   0.655
  243    HO6  MAN 101           HO6      MAN 101   1.008 -11.789   2.907
  Start of MODEL   15
    1    H1   THR   1           H1       THR   1  -3.731 -11.801  -4.092
    2    H2   THR   1           H2       THR   1  -2.785 -11.909  -2.700
    3    H3   THR   1           H3       THR   1  -2.255 -10.942  -3.989
    4    HA   THR   1           HA       THR   1  -4.185  -9.532  -3.563
    5    HB   THR   1           HB       THR   1  -5.166 -10.008  -1.227
    6    HG1  THR   1           HG1      THR   1  -5.177 -12.347  -0.829
    7   HG21  THR   1          HG21      THR   1  -6.889 -11.500  -2.189
    8   HG22  THR   1          HG22      THR   1  -5.844 -11.780  -3.582
    9   HG23  THR   1          HG23      THR   1  -6.486 -10.169  -3.272
   10    H    ALA   2           H        ALA   2  -4.061  -7.880  -1.946
   11    HA   ALA   2           HA       ALA   2  -1.425  -7.646  -0.748
   12    HB1  ALA   2           HB1      ALA   2  -3.679  -5.655  -1.092
   13    HB2  ALA   2           HB2      ALA   2  -2.238  -5.772  -2.101
   14    HB3  ALA   2           HB3      ALA   2  -2.095  -5.292  -0.407
   15    H    SER   3           H        SER   3  -1.172  -7.741   1.398
   16    HA   SER   3           HA       SER   3  -3.480  -8.609   2.888
   17    HB2  SER   3           HB2      SER   3  -1.736  -9.345   4.531
   18    HB3  SER   3           HB3      SER   3  -1.665 -10.131   2.955
   19    H    HIS   4           H        HIS   4  -3.530  -8.009   5.154
   20    HA   HIS   4           HA       HIS   4  -3.918  -5.261   5.502
   21    HB2  HIS   4           HB2      HIS   4  -4.968  -7.270   6.720
   22    HB3  HIS   4           HB3      HIS   4  -3.508  -7.289   7.684
   23    HD1  HIS   4           HD1      HIS   4  -5.404  -6.939   9.583
   24    HD2  HIS   4           HD2      HIS   4  -4.615  -3.718   7.110
   25    HE1  HIS   4           HE1      HIS   4  -6.404  -4.947  10.744
   26    HE2  HIS   4           HE2      HIS   4  -6.327  -3.208   8.947
   27    H    TYR   5           H        TYR   5  -2.487  -3.723   5.909
   28    HA   TYR   5           HA       TYR   5  -0.783  -2.541   6.625
   29    HB2  TYR   5           HB2      TYR   5   0.115  -4.993   8.136
   30    HB3  TYR   5           HB3      TYR   5   0.996  -3.468   8.175
   31    HD1  TYR   5           HD1      TYR   5  -0.084  -1.472   9.168
   32    HD2  TYR   5           HD2      TYR   5  -1.869  -5.326   9.402
   33    HE1  TYR   5           HE1      TYR   5  -1.542  -0.683  10.970
   34    HE2  TYR   5           HE2      TYR   5  -3.331  -4.537  11.214
   35    HH   TYR   5           HH       TYR   5  -3.457  -2.840  12.826
   36    H    GLY   6           H        GLY   6  -0.697  -4.707   4.375
   37    HA2  GLY   6           HA2      GLY   6   2.115  -4.295   3.699
   38    HA3  GLY   6           HA3      GLY   6   0.977  -5.347   2.854
   39    H    GLN   7           H        GLN   7   2.626  -3.407   1.574
   40    HA   GLN   7           HA       GLN   7   1.066  -1.119   0.956
   41    HB2  GLN   7           HB2      GLN   7   3.538  -1.169   0.704
   42    HB3  GLN   7           HB3      GLN   7   3.380  -2.377  -0.564
   43    HG2  GLN   7           HG2      GLN   7   2.269  -0.723  -1.988
   44    HG3  GLN   7           HG3      GLN   7   2.369   0.463  -0.687
   45   HE21  GLN   7          HE21      GLN   7   3.667   1.904  -2.027
   46   HE22  GLN   7          HE22      GLN   7   5.295   1.514  -2.327
   47    H    CYS   8           H        CYS   8  -0.496  -0.903  -0.491
   48    HA   CYS   8           HA       CYS   8  -1.245  -3.328  -2.012
   49    HB2  CYS   8           HB2      CYS   8  -3.567  -2.560  -1.640
   50    HB3  CYS   8           HB3      CYS   8  -2.683  -3.000  -0.172
   51    H    GLY   9           H        GLY   9  -0.035  -0.361  -2.703
   52    HA2  GLY   9           HA2      GLY   9  -0.515  -0.341  -5.359
   53    HA3  GLY   9           HA3      GLY   9  -2.029   0.265  -4.709
   54    H    GLY  10           H        GLY  10   1.414   0.844  -4.746
   55    HA2  GLY  10           HA2      GLY  10   0.808   3.686  -4.401
   56    HA3  GLY  10           HA3      GLY  10   2.375   2.932  -4.088
   57    H    ILE  11           H        ILE  11   2.192   5.118  -5.721
   58    HA   ILE  11           HA       ILE  11   2.019   4.460  -8.445
   59    HB   ILE  11           HB       ILE  11   3.588   6.640  -7.060
   60   HG12  ILE  11          HG12      ILE  11   0.866   6.684  -8.394
   61   HG13  ILE  11          HG13      ILE  11   1.183   6.717  -6.666
   62   HG21  ILE  11          HG21      ILE  11   3.628   7.767  -9.285
   63   HG22  ILE  11          HG22      ILE  11   2.842   6.350  -9.988
   64   HG23  ILE  11          HG23      ILE  11   4.466   6.212  -9.325
   65   HD11  ILE  11          HD11      ILE  11   2.269   8.873  -6.887
   66   HD12  ILE  11          HD12      ILE  11   0.621   8.915  -7.513
   67   HD13  ILE  11          HD13      ILE  11   1.987   8.849  -8.629
   68    H    GLY  12           H        GLY  12   3.256   3.175  -9.564
   69    HA2  GLY  12           HA2      GLY  12   5.296   2.456 -10.494
   70    HA3  GLY  12           HA3      GLY  12   6.145   3.089  -9.088
   71    H    TYR  13           H        TYR  13   3.815   1.619  -7.606
   72    HA   TYR  13           HA       TYR  13   5.417  -0.699  -7.035
   73    HB2  TYR  13           HB2      TYR  13   4.397   0.490  -5.192
   74    HB3  TYR  13           HB3      TYR  13   2.796   0.274  -5.872
   75    HD1  TYR  13           HD1      TYR  13   5.693  -1.917  -4.982
   76    HD2  TYR  13           HD2      TYR  13   1.513  -1.249  -4.739
   77    HE1  TYR  13           HE1      TYR  13   5.464  -3.924  -3.592
   78    HE2  TYR  13           HE2      TYR  13   1.270  -3.259  -3.357
   79    HH   TYR  13           HH       TYR  13   2.323  -5.146  -2.704
   80    H    SER  14           H        SER  14   5.349  -2.330  -8.356
   81    HA   SER  14           HA       SER  14   2.964  -2.984  -9.838
   82    HB2  SER  14           HB2      SER  14   4.670  -4.642 -10.857
   83    HB3  SER  14           HB3      SER  14   4.845  -2.916 -11.195
   84    HG   SER  14           HG       SER  14   6.817  -3.799 -10.603
   85    H    GLY  15           H        GLY  15   3.826  -3.667  -6.861
   86    HA2  GLY  15           HA2      GLY  15   3.618  -6.550  -6.817
   87    HA3  GLY  15           HA3      GLY  15   3.645  -5.500  -5.407
   88    HA   PRO  16           HA       PRO  16  -0.594  -7.594  -5.739
   89    HB2  PRO  16           HB2      PRO  16  -0.699  -7.444  -2.935
   90    HB3  PRO  16           HB3      PRO  16  -0.252  -8.868  -3.875
   91    HG2  PRO  16           HG2      PRO  16   1.529  -6.767  -2.670
   92    HG3  PRO  16           HG3      PRO  16   1.738  -8.538  -2.669
   93    HD2  PRO  16           HD2      PRO  16   3.130  -7.084  -4.293
   94    HD3  PRO  16           HD3      PRO  16   2.324  -8.528  -4.948
   95    H    THR  17           H        THR  17  -2.390  -6.373  -5.876
   96    HA   THR  17           HA       THR  17  -2.360  -3.787  -4.511
   97    HB   THR  17           HB       THR  17  -3.650  -2.978  -6.614
   98    HG1  THR  17           HG1      THR  17  -2.213  -5.237  -7.617
   99   HG21  THR  17          HG21      THR  17  -1.514  -2.358  -7.682
  100   HG22  THR  17          HG22      THR  17  -0.681  -3.560  -6.701
  101   HG23  THR  17          HG23      THR  17  -1.437  -2.162  -5.933
  102    H    VAL  18           H        VAL  18  -4.273  -6.550  -5.336
  103    HA   VAL  18           HA       VAL  18  -6.752  -5.223  -4.553
  104    HB   VAL  18           HB       VAL  18  -6.284  -8.128  -5.313
  105   HG11  VAL  18          HG11      VAL  18  -8.717  -8.219  -5.653
  106   HG12  VAL  18          HG12      VAL  18  -8.854  -6.557  -5.090
  107   HG13  VAL  18          HG13      VAL  18  -8.307  -7.815  -3.984
  108   HG21  VAL  18          HG21      VAL  18  -7.245  -7.534  -7.501
  109   HG22  VAL  18          HG22      VAL  18  -5.743  -6.665  -7.182
  110   HG23  VAL  18          HG23      VAL  18  -7.292  -5.841  -7.008
  111    H    CYS  19           H        CYS  19  -7.334  -5.169  -2.465
  112    HA   CYS  19           HA       CYS  19  -5.827  -6.612  -0.504
  113    HB2  CYS  19           HB2      CYS  19  -8.166  -4.708  -0.235
  114    HB3  CYS  19           HB3      CYS  19  -7.412  -5.551   1.105
  115    H    ALA  20           H        ALA  20  -6.906  -7.725   1.274
  116    HA   ALA  20           HA       ALA  20  -8.574  -9.837   0.289
  117    HB1  ALA  20           HB1      ALA  20  -7.457  -9.227   3.032
  118    HB2  ALA  20           HB2      ALA  20  -6.750 -10.314   1.839
  119    HB3  ALA  20           HB3      ALA  20  -8.300 -10.707   2.585
  120    H    SER  21           H        SER  21 -10.507 -10.440   1.716
  121    HA   SER  21           HA       SER  21 -12.286  -8.254   1.657
  122    HB2  SER  21           HB2      SER  21 -12.656 -11.055   2.734
  123    HB3  SER  21           HB3      SER  21 -13.957  -9.909   2.376
  124    HG   SER  21           HG       SER  21 -12.983  -9.828   0.213
  125    H    GLY  22           H        GLY  22 -12.620  -6.800   3.166
  126    HA2  GLY  22           HA2      GLY  22 -13.183  -6.276   5.444
  127    HA3  GLY  22           HA3      GLY  22 -12.017  -7.489   5.961
  128    H    THR  23           H        THR  23 -10.330  -6.383   3.633
  129    HA   THR  23           HA       THR  23  -9.235  -4.176   5.220
  130    HB   THR  23           HB       THR  23  -7.036  -4.691   4.040
  131    HG1  THR  23           HG1      THR  23  -8.632  -6.509   2.799
  132   HG21  THR  23          HG21      THR  23  -8.247  -6.822   5.783
  133   HG22  THR  23          HG22      THR  23  -7.429  -5.360   6.343
  134   HG23  THR  23          HG23      THR  23  -6.527  -6.612   5.480
  135    H    THR  24           H        THR  24  -8.471  -2.289   4.201
  136    HA   THR  24           HA       THR  24  -9.489  -1.943   1.489
  137    HB   THR  24           HB       THR  24  -9.992   0.454   2.221
  138    HG1  THR  24           HG1      THR  24  -9.114  -0.598   4.611
  139   HG21  THR  24          HG21      THR  24 -11.767  -1.198   1.788
  140   HG22  THR  24          HG22      THR  24 -12.200  -0.133   3.119
  141   HG23  THR  24          HG23      THR  24 -11.639  -1.774   3.450
  142    H    CYS  25           H        CYS  25  -8.162  -0.914   0.120
  143    HA   CYS  25           HA       CYS  25  -5.457  -0.501   0.971
  144    HB2  CYS  25           HB2      CYS  25  -6.064  -1.407  -1.294
  145    HB3  CYS  25           HB3      CYS  25  -6.720   0.188  -1.676
  146    H    GLN  26           H        GLN  26  -4.922   1.313   2.050
  147    HA   GLN  26           HA       GLN  26  -6.374   3.686   1.296
  148    HB2  GLN  26           HB2      GLN  26  -5.177   2.879   3.929
  149    HB3  GLN  26           HB3      GLN  26  -5.852   4.465   3.587
  150    HG2  GLN  26           HG2      GLN  26  -8.034   3.433   3.119
  151    HG3  GLN  26           HG3      GLN  26  -7.348   1.850   3.453
  152   HE21  GLN  26          HE21      GLN  26  -8.815   1.460   5.106
  153   HE22  GLN  26          HE22      GLN  26  -8.693   2.255   6.627
  154    H    VAL  27           H        VAL  27  -5.263   5.090   0.267
  155    HA   VAL  27           HA       VAL  27  -2.451   4.974  -0.053
  156    HB   VAL  27           HB       VAL  27  -4.417   7.174  -0.793
  157   HG11  VAL  27          HG11      VAL  27  -1.604   6.704  -1.771
  158   HG12  VAL  27          HG12      VAL  27  -2.123   8.012  -0.710
  159   HG13  VAL  27          HG13      VAL  27  -2.712   7.937  -2.373
  160   HG21  VAL  27          HG21      VAL  27  -3.296   4.909  -2.428
  161   HG22  VAL  27          HG22      VAL  27  -4.270   6.236  -3.059
  162   HG23  VAL  27          HG23      VAL  27  -4.968   5.101  -1.900
  163    H    LEU  28           H        LEU  28  -1.180   5.460   1.559
  164    HA   LEU  28           HA       LEU  28  -1.956   7.374   3.593
  165    HB2  LEU  28           HB2      LEU  28   0.581   5.774   3.266
  166    HB3  LEU  28           HB3      LEU  28   0.144   6.689   4.695
  167    HG   LEU  28           HG       LEU  28  -1.162   4.164   3.664
  168   HD11  LEU  28          HD11      LEU  28   0.931   3.816   4.777
  169   HD12  LEU  28          HD12      LEU  28  -0.404   3.222   5.769
  170   HD13  LEU  28          HD13      LEU  28   0.383   4.748   6.169
  171   HD21  LEU  28          HD21      LEU  28  -2.883   5.607   4.603
  172   HD22  LEU  28          HD22      LEU  28  -1.881   5.824   6.054
  173   HD23  LEU  28          HD23      LEU  28  -2.523   4.231   5.659
  174    H    ASN  29           H        ASN  29   0.475   6.868   1.148
  175    HA   ASN  29           HA       ASN  29   1.028   9.741   0.998
  176    HB2  ASN  29           HB2      ASN  29   3.077   7.479   0.902
  177    HB3  ASN  29           HB3      ASN  29   3.405   9.183   0.605
  178   HD21  ASN  29          HD21      ASN  29   4.450   7.288   2.600
  179   HD22  ASN  29          HD22      ASN  29   4.181   8.033   4.131
  180    HA   PRO  30           HA       PRO  30   0.277   8.924  -3.251
  181    HB2  PRO  30           HB2      PRO  30   2.650   9.822  -4.496
  182    HB3  PRO  30           HB3      PRO  30   1.120  10.680  -4.368
  183    HG2  PRO  30           HG2      PRO  30   3.560  11.238  -3.014
  184    HG3  PRO  30           HG3      PRO  30   2.013  12.076  -2.829
  185    HD2  PRO  30           HD2      PRO  30   3.340  10.266  -1.044
  186    HD3  PRO  30           HD3      PRO  30   1.852  11.162  -0.748
  187    H    TYR  31           H        TYR  31   3.466   7.941  -2.245
  188    HA   TYR  31           HA       TYR  31   3.439   5.883  -4.326
  189    HB2  TYR  31           HB2      TYR  31   5.615   6.644  -2.380
  190    HB3  TYR  31           HB3      TYR  31   5.750   5.405  -3.618
  191    HD1  TYR  31           HD1      TYR  31   5.630   8.997  -2.953
  192    HD2  TYR  31           HD2      TYR  31   6.006   6.013  -5.951
  193    HE1  TYR  31           HE1      TYR  31   6.444  10.691  -4.524
  194    HE2  TYR  31           HE2      TYR  31   6.823   7.696  -7.537
  195    HH   TYR  31           HH       TYR  31   7.750  10.811  -6.478
  196    H    TYR  32           H        TYR  32   3.048   6.304  -0.872
  197    HA   TYR  32           HA       TYR  32   3.195   3.406  -0.586
  198    HB2  TYR  32           HB2      TYR  32   4.738   4.696   0.854
  199    HB3  TYR  32           HB3      TYR  32   3.347   5.435   1.644
  200    HD1  TYR  32           HD1      TYR  32   4.852   2.107   0.888
  201    HD2  TYR  32           HD2      TYR  32   2.455   4.407   3.530
  202    HE1  TYR  32           HE1      TYR  32   4.792   0.219   2.454
  203    HE2  TYR  32           HE2      TYR  32   2.364   2.526   5.109
  204    HH   TYR  32           HH       TYR  32   2.687   0.170   5.202
  205    H    SER  33           H        SER  33   1.348   2.440  -0.678
  206    HA   SER  33           HA       SER  33  -0.940   3.649   0.680
  207    HB2  SER  33           HB2      SER  33  -0.941   1.823  -1.757
  208    HB3  SER  33           HB3      SER  33  -2.364   2.534  -1.008
  209    HG   SER  33           HG       SER  33  -1.176   3.551  -2.938
  210    H    GLN  34           H        GLN  34  -1.782   2.327   2.246
  211    HA   GLN  34           HA       GLN  34  -0.604  -0.355   2.378
  212    HB2  GLN  34           HB2      GLN  34   0.449   1.210   3.992
  213    HB3  GLN  34           HB3      GLN  34  -1.138   1.502   4.690
  214    HG2  GLN  34           HG2      GLN  34  -1.306  -0.809   5.356
  215    HG3  GLN  34           HG3      GLN  34   0.249  -1.160   4.605
  216   HE21  GLN  34          HE21      GLN  34  -1.347   0.252   7.262
  217   HE22  GLN  34          HE22      GLN  34   0.055   0.524   8.237
  218    H    CYS  35           H        CYS  35  -1.977  -1.950   2.914
  219    HA   CYS  35           HA       CYS  35  -4.747  -1.239   2.737
  220    HB2  CYS  35           HB2      CYS  35  -3.679  -3.241   1.585
  221    HB3  CYS  35           HB3      CYS  35  -3.692  -4.027   3.171
  222    H    LEU  36           H        LEU  36  -5.979  -0.840   4.338
  223    HA   LEU  36           HA       LEU  36  -5.223  -1.725   7.009
  224    HB2  LEU  36           HB2      LEU  36  -6.436   0.865   6.079
  225    HB3  LEU  36           HB3      LEU  36  -6.359   0.385   7.759
  226    HG   LEU  36           HG       LEU  36  -3.935   0.781   5.997
  227   HD11  LEU  36          HD11      LEU  36  -5.090   2.892   6.379
  228   HD12  LEU  36          HD12      LEU  36  -3.581   2.827   7.294
  229   HD13  LEU  36          HD13      LEU  36  -5.125   2.565   8.109
  230   HD21  LEU  36          HD21      LEU  36  -4.304   0.252   8.921
  231   HD22  LEU  36          HD22      LEU  36  -2.804   0.825   8.235
  232   HD23  LEU  36          HD23      LEU  36  -3.437  -0.763   7.764
  233    H1   MAN 101           H1       MAN 101   0.560 -10.108   4.683
  234    H2   MAN 101           H2       MAN 101   2.285  -8.317   4.211
  235    H3   MAN 101           H3       MAN 101   1.894  -8.073   1.794
  236    H4   MAN 101           H4       MAN 101   3.065 -10.868   1.653
  237    H5   MAN 101           H5       MAN 101   0.235  -9.836   1.049
  238    H61  MAN 101           H61      MAN 101  -0.356 -12.215   0.789
  239    H62  MAN 101           H62      MAN 101   1.350 -12.693   0.974
  240    HO2  MAN 101           HO2      MAN 101   2.899 -10.425   4.964
  241    HO3  MAN 101           HO3      MAN 101   4.421  -9.241   2.417
  242    HO4  MAN 101           HO4      MAN 101   3.582  -9.366   0.003
  243    HO6  MAN 101           HO6      MAN 101   1.579 -10.995  -0.796
  Start of MODEL   16
    1    H1   THR   1           H1       THR   1  -3.009 -11.354  -3.713
    2    H2   THR   1           H2       THR   1  -4.637 -11.737  -4.013
    3    H3   THR   1           H3       THR   1  -4.002 -11.871  -2.452
    4    HA   THR   1           HA       THR   1  -4.337  -9.381  -3.932
    5    HB   THR   1           HB       THR   1  -5.891  -9.010  -1.883
    6    HG1  THR   1           HG1      THR   1  -6.887 -11.194  -1.416
    7   HG21  THR   1          HG21      THR   1  -7.799 -10.013  -3.106
    8   HG22  THR   1          HG22      THR   1  -6.652 -10.854  -4.157
    9   HG23  THR   1          HG23      THR   1  -6.723  -9.095  -4.155
   10    H    ALA   2           H        ALA   2  -4.220  -7.548  -2.244
   11    HA   ALA   2           HA       ALA   2  -1.606  -7.528  -1.201
   12    HB1  ALA   2           HB1      ALA   2  -3.833  -5.540  -0.741
   13    HB2  ALA   2           HB2      ALA   2  -2.709  -5.526  -2.102
   14    HB3  ALA   2           HB3      ALA   2  -2.113  -5.274  -0.463
   15    H    SER   3           H        SER   3  -1.081  -6.926   0.981
   16    HA   SER   3           HA       SER   3  -2.477  -8.637   2.873
   17    HB2  SER   3           HB2      SER   3  -0.197  -8.499   3.963
   18    HB3  SER   3           HB3      SER   3  -0.271  -9.333   2.401
   19    H    HIS   4           H        HIS   4  -2.516  -7.881   5.124
   20    HA   HIS   4           HA       HIS   4  -3.409  -5.175   5.296
   21    HB2  HIS   4           HB2      HIS   4  -4.297  -7.166   6.647
   22    HB3  HIS   4           HB3      HIS   4  -2.832  -7.046   7.604
   23    HD1  HIS   4           HD1      HIS   4  -4.130  -6.443   9.754
   24    HD2  HIS   4           HD2      HIS   4  -4.782  -3.827   6.616
   25    HE1  HIS   4           HE1      HIS   4  -5.420  -4.537  10.727
   26    HE2  HIS   4           HE2      HIS   4  -6.120  -3.220   8.721
   27    H    TYR   5           H        TYR   5  -2.294  -3.438   5.831
   28    HA   TYR   5           HA       TYR   5  -0.707  -2.037   6.487
   29    HB2  TYR   5           HB2      TYR   5   0.592  -4.412   7.818
   30    HB3  TYR   5           HB3      TYR   5   1.322  -2.819   7.800
   31    HD1  TYR   5           HD1      TYR   5  -1.312  -4.906   9.191
   32    HD2  TYR   5           HD2      TYR   5   0.363  -1.010   9.089
   33    HE1  TYR   5           HE1      TYR   5  -2.520  -4.336  11.245
   34    HE2  TYR   5           HE2      TYR   5  -0.842  -0.426  11.136
   35    HH   TYR   5           HH       TYR   5  -2.846  -1.180  12.359
   36    H    GLY   6           H        GLY   6  -0.441  -4.327   4.290
   37    HA2  GLY   6           HA2      GLY   6   2.271  -3.762   3.491
   38    HA3  GLY   6           HA3      GLY   6   1.120  -4.824   2.677
   39    H    GLN   7           H        GLN   7   2.630  -3.103   1.261
   40    HA   GLN   7           HA       GLN   7   1.209  -0.681   0.722
   41    HB2  GLN   7           HB2      GLN   7   3.685  -1.103   0.322
   42    HB3  GLN   7           HB3      GLN   7   3.199  -2.149  -1.005
   43    HG2  GLN   7           HG2      GLN   7   2.182  -0.278  -2.150
   44    HG3  GLN   7           HG3      GLN   7   2.596   0.790  -0.809
   45   HE21  GLN   7          HE21      GLN   7   3.927   2.140  -2.127
   46   HE22  GLN   7          HE22      GLN   7   5.425   1.585  -2.665
   47    H    CYS   8           H        CYS   8  -0.602  -0.597  -0.467
   48    HA   CYS   8           HA       CYS   8  -1.324  -3.038  -1.948
   49    HB2  CYS   8           HB2      CYS   8  -3.623  -2.259  -1.749
   50    HB3  CYS   8           HB3      CYS   8  -2.833  -2.555  -0.195
   51    H    GLY   9           H        GLY   9  -0.299   0.068  -2.624
   52    HA2  GLY   9           HA2      GLY   9  -0.580  -0.143  -5.358
   53    HA3  GLY   9           HA3      GLY   9  -2.111   0.508  -4.789
   54    H    GLY  10           H        GLY  10   1.268   1.043  -4.066
   55    HA2  GLY  10           HA2      GLY  10   0.733   3.907  -4.361
   56    HA3  GLY  10           HA3      GLY  10   2.051   3.219  -3.404
   57    H    ILE  11           H        ILE  11   2.536   5.096  -5.399
   58    HA   ILE  11           HA       ILE  11   3.241   3.964  -7.853
   59    HB   ILE  11           HB       ILE  11   4.620   6.276  -6.437
   60   HG12  ILE  11          HG12      ILE  11   2.372   6.320  -8.466
   61   HG13  ILE  11          HG13      ILE  11   2.153   6.559  -6.737
   62   HG21  ILE  11          HG21      ILE  11   5.317   6.950  -8.704
   63   HG22  ILE  11          HG22      ILE  11   4.548   5.504  -9.360
   64   HG23  ILE  11          HG23      ILE  11   5.934   5.347  -8.288
   65   HD11  ILE  11          HD11      ILE  11   2.150   8.673  -7.937
   66   HD12  ILE  11          HD12      ILE  11   3.750   8.317  -8.589
   67   HD13  ILE  11          HD13      ILE  11   3.541   8.574  -6.858
   68    H    GLY  12           H        GLY  12   4.595   2.427  -8.253
   69    HA2  GLY  12           HA2      GLY  12   6.951   1.729  -8.249
   70    HA3  GLY  12           HA3      GLY  12   6.951   2.060  -6.518
   71    H    TYR  13           H        TYR  13   4.177   0.927  -6.377
   72    HA   TYR  13           HA       TYR  13   5.025  -1.800  -5.849
   73    HB2  TYR  13           HB2      TYR  13   3.677  -0.612  -4.185
   74    HB3  TYR  13           HB3      TYR  13   2.395  -0.382  -5.359
   75    HD1  TYR  13           HD1      TYR  13   4.304  -3.080  -3.630
   76    HD2  TYR  13           HD2      TYR  13   0.642  -1.896  -5.419
   77    HE1  TYR  13           HE1      TYR  13   3.255  -5.166  -2.849
   78    HE2  TYR  13           HE2      TYR  13  -0.415  -3.975  -4.655
   79    HH   TYR  13           HH       TYR  13  -0.030  -5.995  -3.804
   80    H    SER  14           H        SER  14   4.764  -3.417  -7.272
   81    HA   SER  14           HA       SER  14   2.821  -3.006  -9.430
   82    HB2  SER  14           HB2      SER  14   4.397  -4.512 -10.702
   83    HB3  SER  14           HB3      SER  14   5.014  -2.904 -10.311
   84    HG   SER  14           HG       SER  14   6.564  -3.858  -9.366
   85    H    GLY  15           H        GLY  15   2.892  -4.442  -6.685
   86    HA2  GLY  15           HA2      GLY  15   2.331  -7.178  -7.413
   87    HA3  GLY  15           HA3      GLY  15   2.232  -6.476  -5.800
   88    HA   PRO  16           HA       PRO  16  -2.182  -7.329  -7.210
   89    HB2  PRO  16           HB2      PRO  16  -2.718  -8.178  -4.623
   90    HB3  PRO  16           HB3      PRO  16  -2.314  -9.264  -5.958
   91    HG2  PRO  16           HG2      PRO  16  -0.484  -8.058  -3.891
   92    HG3  PRO  16           HG3      PRO  16  -0.576  -9.761  -4.419
   93    HD2  PRO  16           HD2      PRO  16   1.308  -8.231  -5.304
   94    HD3  PRO  16           HD3      PRO  16   0.405  -9.212  -6.481
   95    H    THR  17           H        THR  17  -3.195  -5.354  -7.164
   96    HA   THR  17           HA       THR  17  -2.765  -3.606  -4.888
   97    HB   THR  17           HB       THR  17  -3.903  -1.910  -6.318
   98    HG1  THR  17           HG1      THR  17  -3.505  -3.646  -8.504
   99   HG21  THR  17          HG21      THR  17  -2.001  -1.615  -7.870
  100   HG22  THR  17          HG22      THR  17  -1.468  -3.258  -7.507
  101   HG23  THR  17          HG23      THR  17  -1.468  -2.031  -6.243
  102    H    VAL  18           H        VAL  18  -4.997  -5.895  -5.704
  103    HA   VAL  18           HA       VAL  18  -7.188  -4.514  -4.356
  104    HB   VAL  18           HB       VAL  18  -7.087  -7.322  -5.542
  105   HG11  VAL  18          HG11      VAL  18  -9.439  -5.784  -4.447
  106   HG12  VAL  18          HG12      VAL  18  -8.687  -7.201  -3.717
  107   HG13  VAL  18          HG13      VAL  18  -9.518  -7.347  -5.265
  108   HG21  VAL  18          HG21      VAL  18  -6.972  -5.598  -7.260
  109   HG22  VAL  18          HG22      VAL  18  -8.403  -4.817  -6.584
  110   HG23  VAL  18          HG23      VAL  18  -8.533  -6.420  -7.302
  111    H    CYS  19           H        CYS  19  -7.709  -4.966  -2.269
  112    HA   CYS  19           HA       CYS  19  -5.700  -6.337  -0.760
  113    HB2  CYS  19           HB2      CYS  19  -8.121  -4.770   0.028
  114    HB3  CYS  19           HB3      CYS  19  -7.115  -5.640   1.177
  115    H    ALA  20           H        ALA  20  -6.355  -7.652   1.125
  116    HA   ALA  20           HA       ALA  20  -7.764  -9.966   0.257
  117    HB1  ALA  20           HB1      ALA  20  -7.097 -10.820   2.474
  118    HB2  ALA  20           HB2      ALA  20  -6.498  -9.220   2.899
  119    HB3  ALA  20           HB3      ALA  20  -5.730 -10.131   1.598
  120    H    SER  21           H        SER  21  -9.439 -10.904   1.775
  121    HA   SER  21           HA       SER  21 -11.605  -9.203   1.972
  122    HB2  SER  21           HB2      SER  21 -12.377 -11.241   3.455
  123    HB3  SER  21           HB3      SER  21 -12.194 -11.382   1.706
  124    HG   SER  21           HG       SER  21 -10.335 -12.115   3.709
  125    H    GLY  22           H        GLY  22 -11.965  -7.641   3.330
  126    HA2  GLY  22           HA2      GLY  22 -12.584  -7.025   5.571
  127    HA3  GLY  22           HA3      GLY  22 -11.258  -8.022   6.160
  128    H    THR  23           H        THR  23  -9.758  -6.802   3.749
  129    HA   THR  23           HA       THR  23  -8.922  -4.448   5.274
  130    HB   THR  23           HB       THR  23  -6.679  -4.753   4.154
  131    HG1  THR  23           HG1      THR  23  -8.096  -6.788   2.907
  132   HG21  THR  23          HG21      THR  23  -7.073  -5.587   6.422
  133   HG22  THR  23          HG22      THR  23  -5.998  -6.667   5.536
  134   HG23  THR  23          HG23      THR  23  -7.691  -7.102   5.765
  135    H    THR  24           H        THR  24  -8.366  -2.508   4.124
  136    HA   THR  24           HA       THR  24  -9.411  -2.420   1.378
  137    HB   THR  24           HB       THR  24 -10.344  -0.162   1.882
  138    HG1  THR  24           HG1      THR  24  -9.338  -0.790   4.442
  139   HG21  THR  24          HG21      THR  24 -12.308  -0.932   3.150
  140   HG22  THR  24          HG22      THR  24 -11.421  -2.383   3.623
  141   HG23  THR  24          HG23      THR  24 -11.819  -2.106   1.927
  142    H    CYS  25           H        CYS  25  -8.319  -1.055  -0.042
  143    HA   CYS  25           HA       CYS  25  -5.618  -0.448   0.741
  144    HB2  CYS  25           HB2      CYS  25  -6.165  -1.387  -1.519
  145    HB3  CYS  25           HB3      CYS  25  -6.997   0.126  -1.885
  146    H    GLN  26           H        GLN  26  -5.139   1.379   1.795
  147    HA   GLN  26           HA       GLN  26  -6.692   3.737   1.162
  148    HB2  GLN  26           HB2      GLN  26  -5.413   2.832   3.733
  149    HB3  GLN  26           HB3      GLN  26  -6.134   4.412   3.531
  150    HG2  GLN  26           HG2      GLN  26  -8.311   3.332   3.057
  151    HG3  GLN  26           HG3      GLN  26  -7.558   1.760   3.271
  152   HE21  GLN  26          HE21      GLN  26  -8.932   1.208   4.907
  153   HE22  GLN  26          HE22      GLN  26  -8.838   1.873   6.487
  154    H    VAL  27           H        VAL  27  -5.533   5.077  -0.009
  155    HA   VAL  27           HA       VAL  27  -2.693   4.996  -0.197
  156    HB   VAL  27           HB       VAL  27  -4.661   7.077  -1.239
  157   HG11  VAL  27          HG11      VAL  27  -1.748   6.711  -1.929
  158   HG12  VAL  27          HG12      VAL  27  -2.439   8.053  -1.020
  159   HG13  VAL  27          HG13      VAL  27  -2.858   7.829  -2.719
  160   HG21  VAL  27          HG21      VAL  27  -3.258   4.811  -2.639
  161   HG22  VAL  27          HG22      VAL  27  -4.296   6.006  -3.410
  162   HG23  VAL  27          HG23      VAL  27  -4.978   4.868  -2.236
  163    H    LEU  28           H        LEU  28  -1.499   5.572   1.458
  164    HA   LEU  28           HA       LEU  28  -2.347   7.630   3.331
  165    HB2  LEU  28           HB2      LEU  28   0.224   6.063   3.284
  166    HB3  LEU  28           HB3      LEU  28  -0.384   7.016   4.617
  167    HG   LEU  28           HG       LEU  28  -1.424   4.374   3.609
  168   HD11  LEU  28          HD11      LEU  28  -0.232   5.226   6.225
  169   HD12  LEU  28          HD12      LEU  28   0.566   4.272   4.979
  170   HD13  LEU  28          HD13      LEU  28  -0.827   3.612   5.839
  171   HD21  LEU  28          HD21      LEU  28  -3.021   4.458   5.412
  172   HD22  LEU  28          HD22      LEU  28  -3.319   5.760   4.245
  173   HD23  LEU  28          HD23      LEU  28  -2.530   6.109   5.796
  174    H    ASN  29           H        ASN  29   0.099   7.021   0.919
  175    HA   ASN  29           HA       ASN  29   0.777   9.837   0.784
  176    HB2  ASN  29           HB2      ASN  29   2.790   7.554   1.031
  177    HB3  ASN  29           HB3      ASN  29   3.210   9.213   0.636
  178   HD21  ASN  29          HD21      ASN  29   2.419   6.986   3.133
  179   HD22  ASN  29          HD22      ASN  29   2.662   8.053   4.456
  180    HA   PRO  30           HA       PRO  30   0.464   8.776  -3.464
  181    HB2  PRO  30           HB2      PRO  30   2.861   9.781  -4.570
  182    HB3  PRO  30           HB3      PRO  30   1.287  10.562  -4.545
  183    HG2  PRO  30           HG2      PRO  30   3.607  11.277  -3.072
  184    HG3  PRO  30           HG3      PRO  30   2.007  12.021  -2.985
  185    HD2  PRO  30           HD2      PRO  30   3.333  10.259  -1.108
  186    HD3  PRO  30           HD3      PRO  30   1.829  11.168  -0.899
  187    H    TYR  31           H        TYR  31   3.699   8.015  -2.203
  188    HA   TYR  31           HA       TYR  31   3.791   5.883  -4.192
  189    HB2  TYR  31           HB2      TYR  31   5.894   6.728  -2.187
  190    HB3  TYR  31           HB3      TYR  31   6.078   5.469  -3.388
  191    HD1  TYR  31           HD1      TYR  31   5.480   9.124  -3.032
  192    HD2  TYR  31           HD2      TYR  31   6.938   5.983  -5.496
  193    HE1  TYR  31           HE1      TYR  31   6.427  10.780  -4.576
  194    HE2  TYR  31           HE2      TYR  31   7.881   7.637  -7.054
  195    HH   TYR  31           HH       TYR  31   8.241  10.873  -6.220
  196    H    TYR  32           H        TYR  32   3.345   6.431  -0.755
  197    HA   TYR  32           HA       TYR  32   3.249   3.536  -0.494
  198    HB2  TYR  32           HB2      TYR  32   4.738   4.708   1.107
  199    HB3  TYR  32           HB3      TYR  32   3.317   5.502   1.791
  200    HD1  TYR  32           HD1      TYR  32   4.788   2.171   1.115
  201    HD2  TYR  32           HD2      TYR  32   2.022   4.410   3.456
  202    HE1  TYR  32           HE1      TYR  32   4.404   0.206   2.524
  203    HE2  TYR  32           HE2      TYR  32   1.645   2.468   4.881
  204    HH   TYR  32           HH       TYR  32   1.878  -0.228   4.429
  205    H    SER  33           H        SER  33   1.399   2.678  -0.760
  206    HA   SER  33           HA       SER  33  -0.931   3.945   0.518
  207    HB2  SER  33           HB2      SER  33  -0.953   2.001  -1.833
  208    HB3  SER  33           HB3      SER  33  -2.337   2.861  -1.158
  209    HG   SER  33           HG       SER  33  -1.253   3.773  -3.123
  210    H    GLN  34           H        GLN  34  -1.961   2.650   2.067
  211    HA   GLN  34           HA       GLN  34  -0.642   0.060   2.488
  212    HB2  GLN  34           HB2      GLN  34   0.060   1.749   4.095
  213    HB3  GLN  34           HB3      GLN  34  -1.612   2.047   4.530
  214    HG2  GLN  34           HG2      GLN  34  -1.802  -0.198   5.433
  215    HG3  GLN  34           HG3      GLN  34  -0.147  -0.549   4.937
  216   HE21  GLN  34          HE21      GLN  34   1.589   0.295   6.162
  217   HE22  GLN  34          HE22      GLN  34   1.304   1.052   7.672
  218    H    CYS  35           H        CYS  35  -1.927  -1.619   2.959
  219    HA   CYS  35           HA       CYS  35  -4.752  -1.147   2.613
  220    HB2  CYS  35           HB2      CYS  35  -3.543  -3.080   1.486
  221    HB3  CYS  35           HB3      CYS  35  -3.443  -3.806   3.084
  222    H    LEU  36           H        LEU  36  -6.062  -0.921   4.203
  223    HA   LEU  36           HA       LEU  36  -5.374  -1.945   6.836
  224    HB2  LEU  36           HB2      LEU  36  -6.656   0.678   6.101
  225    HB3  LEU  36           HB3      LEU  36  -6.605   0.033   7.731
  226    HG   LEU  36           HG       LEU  36  -4.168   0.724   6.088
  227   HD11  LEU  36          HD11      LEU  36  -5.417   2.725   6.682
  228   HD12  LEU  36          HD12      LEU  36  -3.927   2.619   7.614
  229   HD13  LEU  36          HD13      LEU  36  -5.470   2.211   8.367
  230   HD21  LEU  36          HD21      LEU  36  -3.785  -1.071   7.713
  231   HD22  LEU  36          HD22      LEU  36  -4.459  -0.062   8.993
  232   HD23  LEU  36          HD23      LEU  36  -2.967   0.411   8.186
  233    H1   MAN 101           H1       MAN 101   2.261  -8.481   2.937
  234    H2   MAN 101           H2       MAN 101   2.231  -6.140   0.972
  235    H3   MAN 101           H3       MAN 101   3.384  -7.510  -0.478
  236    H4   MAN 101           H4       MAN 101   4.383  -8.966   1.997
  237    H5   MAN 101           H5       MAN 101   2.773 -10.025  -0.367
  238    H61  MAN 101           H61      MAN 101   1.843 -11.538   1.345
  239    H62  MAN 101           H62      MAN 101   2.876 -10.814   2.598
  240    HO2  MAN 101           HO2      MAN 101   4.191  -5.809   2.141
  241    HO3  MAN 101           HO3      MAN 101   5.615  -7.247   0.006
  242    HO4  MAN 101           HO4      MAN 101   5.320 -10.311   0.403
  243    HO6  MAN 101           HO6      MAN 101   3.482 -12.758   0.812
  Start of MODEL   17
    1    H1   THR   1           H1       THR   1  -4.307 -11.784  -3.951
    2    H2   THR   1           H2       THR   1  -3.596 -11.932  -2.436
    3    H3   THR   1           H3       THR   1  -2.775 -11.103  -3.647
    4    HA   THR   1           HA       THR   1  -4.542  -9.437  -3.599
    5    HB   THR   1           HB       THR   1  -5.982  -9.597  -1.477
    6    HG1  THR   1           HG1      THR   1  -6.352 -11.885  -0.928
    7   HG21  THR   1          HG21      THR   1  -6.435 -11.582  -3.717
    8   HG22  THR   1          HG22      THR   1  -6.897  -9.880  -3.739
    9   HG23  THR   1          HG23      THR   1  -7.672 -10.989  -2.609
   10    H    ALA   2           H        ALA   2  -4.308  -7.623  -2.237
   11    HA   ALA   2           HA       ALA   2  -1.729  -7.410  -1.127
   12    HB1  ALA   2           HB1      ALA   2  -4.012  -5.443  -0.903
   13    HB2  ALA   2           HB2      ALA   2  -2.858  -5.539  -2.232
   14    HB3  ALA   2           HB3      ALA   2  -2.302  -5.126  -0.613
   15    H    SER   3           H        SER   3  -1.145  -6.879   0.955
   16    HA   SER   3           HA       SER   3  -2.641  -8.487   2.825
   17    HB2  SER   3           HB2      SER   3  -0.379  -8.482   3.951
   18    HB3  SER   3           HB3      SER   3  -0.514  -9.312   2.390
   19    H    HIS   4           H        HIS   4  -2.789  -7.865   5.006
   20    HA   HIS   4           HA       HIS   4  -3.565  -5.163   5.423
   21    HB2  HIS   4           HB2      HIS   4  -4.598  -7.230   6.499
   22    HB3  HIS   4           HB3      HIS   4  -3.169  -7.327   7.507
   23    HD1  HIS   4           HD1      HIS   4  -4.514  -6.943   9.670
   24    HD2  HIS   4           HD2      HIS   4  -4.927  -3.909   6.884
   25    HE1  HIS   4           HE1      HIS   4  -5.663  -5.076  10.886
   26    HE2  HIS   4           HE2      HIS   4  -6.224  -3.453   9.063
   27    H    TYR   5           H        TYR   5  -2.236  -3.568   5.814
   28    HA   TYR   5           HA       TYR   5  -0.587  -2.297   6.551
   29    HB2  TYR   5           HB2      TYR   5   0.087  -4.625   8.363
   30    HB3  TYR   5           HB3      TYR   5   1.129  -3.205   8.257
   31    HD1  TYR   5           HD1      TYR   5  -2.340  -4.267   9.087
   32    HD2  TYR   5           HD2      TYR   5   0.641  -1.260   9.449
   33    HE1  TYR   5           HE1      TYR   5  -3.738  -3.075  10.717
   34    HE2  TYR   5           HE2      TYR   5  -0.752  -0.065  11.081
   35    HH   TYR   5           HH       TYR   5  -3.541  -1.494  12.459
   36    H    GLY   6           H        GLY   6  -0.511  -4.233   4.360
   37    HA2  GLY   6           HA2      GLY   6   2.342  -3.941   3.776
   38    HA3  GLY   6           HA3      GLY   6   1.236  -5.089   3.003
   39    H    GLN   7           H        GLN   7   2.790  -3.151   1.607
   40    HA   GLN   7           HA       GLN   7   1.156  -0.959   0.868
   41    HB2  GLN   7           HB2      GLN   7   3.613  -1.001   0.529
   42    HB3  GLN   7           HB3      GLN   7   3.412  -2.277  -0.659
   43    HG2  GLN   7           HG2      GLN   7   2.249  -0.793  -2.131
   44    HG3  GLN   7           HG3      GLN   7   2.272   0.520  -0.965
   45   HE21  GLN   7          HE21      GLN   7   3.558   1.948  -2.286
   46   HE22  GLN   7          HE22      GLN   7   5.175   1.567  -2.646
   47    H    CYS   8           H        CYS   8  -0.320  -0.790  -0.675
   48    HA   CYS   8           HA       CYS   8  -1.106  -3.298  -2.033
   49    HB2  CYS   8           HB2      CYS   8  -3.420  -2.415  -1.811
   50    HB3  CYS   8           HB3      CYS   8  -2.615  -2.850  -0.299
   51    H    GLY   9           H        GLY   9  -0.947   0.235  -2.379
   52    HA2  GLY   9           HA2      GLY   9  -1.111  -0.063  -5.250
   53    HA3  GLY   9           HA3      GLY   9  -2.547   0.644  -4.524
   54    H    GLY  10           H        GLY  10   0.911   0.971  -4.172
   55    HA2  GLY  10           HA2      GLY  10   0.516   3.880  -4.179
   56    HA3  GLY  10           HA3      GLY  10   1.901   3.046  -3.468
   57    H    ILE  11           H        ILE  11   1.982   5.129  -5.485
   58    HA   ILE  11           HA       ILE  11   2.473   3.963  -8.009
   59    HB   ILE  11           HB       ILE  11   3.696   6.508  -6.881
   60   HG12  ILE  11          HG12      ILE  11   1.146   6.150  -8.489
   61   HG13  ILE  11          HG13      ILE  11   1.223   6.517  -6.771
   62   HG21  ILE  11          HG21      ILE  11   3.277   5.572  -9.722
   63   HG22  ILE  11          HG22      ILE  11   4.815   5.652  -8.875
   64   HG23  ILE  11          HG23      ILE  11   3.938   7.140  -9.249
   65   HD11  ILE  11          HD11      ILE  11   2.287   8.656  -7.275
   66   HD12  ILE  11          HD12      ILE  11   0.727   8.500  -8.084
   67   HD13  ILE  11          HD13      ILE  11   2.222   8.281  -8.997
   68    H    GLY  12           H        GLY  12   4.019   2.587  -8.472
   69    HA2  GLY  12           HA2      GLY  12   6.451   2.224  -8.581
   70    HA3  GLY  12           HA3      GLY  12   6.506   2.701  -6.894
   71    H    TYR  13           H        TYR  13   3.803   1.099  -6.806
   72    HA   TYR  13           HA       TYR  13   5.127  -1.370  -6.022
   73    HB2  TYR  13           HB2      TYR  13   3.652  -0.269  -4.388
   74    HB3  TYR  13           HB3      TYR  13   2.308  -0.391  -5.511
   75    HD1  TYR  13           HD1      TYR  13   0.811  -2.094  -5.147
   76    HD2  TYR  13           HD2      TYR  13   4.835  -2.636  -3.907
   77    HE1  TYR  13           HE1      TYR  13   0.220  -4.276  -4.205
   78    HE2  TYR  13           HE2      TYR  13   4.257  -4.822  -2.950
   79    HH   TYR  13           HH       TYR  13   1.120  -6.233  -3.532
   80    H    SER  14           H        SER  14   5.094  -3.107  -7.287
   81    HA   SER  14           HA       SER  14   3.209  -3.168  -9.494
   82    HB2  SER  14           HB2      SER  14   5.027  -4.799 -10.342
   83    HB3  SER  14           HB3      SER  14   5.363  -3.065 -10.354
   84    HG   SER  14           HG       SER  14   6.574  -5.054  -9.015
   85    H    GLY  15           H        GLY  15   2.987  -4.283  -6.610
   86    HA2  GLY  15           HA2      GLY  15   2.653  -7.149  -7.206
   87    HA3  GLY  15           HA3      GLY  15   2.644  -6.441  -5.593
   88    HA   PRO  16           HA       PRO  16  -1.780  -7.540  -6.742
   89    HB2  PRO  16           HB2      PRO  16  -2.230  -8.125  -4.055
   90    HB3  PRO  16           HB3      PRO  16  -1.822  -9.313  -5.299
   91    HG2  PRO  16           HG2      PRO  16   0.022  -7.857  -3.420
   92    HG3  PRO  16           HG3      PRO  16  -0.029  -9.607  -3.790
   93    HD2  PRO  16           HD2      PRO  16   1.780  -8.113  -4.880
   94    HD3  PRO  16           HD3      PRO  16   0.867  -9.214  -5.935
   95    H    THR  17           H        THR  17  -2.904  -5.693  -6.962
   96    HA   THR  17           HA       THR  17  -2.710  -3.543  -5.056
   97    HB   THR  17           HB       THR  17  -4.242  -2.443  -6.770
   98    HG1  THR  17           HG1      THR  17  -4.993  -3.683  -8.278
   99   HG21  THR  17          HG21      THR  17  -1.575  -3.520  -7.724
  100   HG22  THR  17          HG22      THR  17  -1.806  -2.064  -6.753
  101   HG23  THR  17          HG23      THR  17  -2.419  -2.131  -8.403
  102    H    VAL  18           H        VAL  18  -4.868  -6.082  -5.921
  103    HA   VAL  18           HA       VAL  18  -7.195  -4.940  -4.636
  104    HB   VAL  18           HB       VAL  18  -6.744  -7.771  -5.623
  105   HG11  VAL  18          HG11      VAL  18  -9.298  -6.309  -4.960
  106   HG12  VAL  18          HG12      VAL  18  -8.576  -7.628  -4.036
  107   HG13  VAL  18          HG13      VAL  18  -9.197  -7.924  -5.662
  108   HG21  VAL  18          HG21      VAL  18  -6.500  -6.187  -7.455
  109   HG22  VAL  18          HG22      VAL  18  -8.035  -5.437  -7.031
  110   HG23  VAL  18          HG23      VAL  18  -8.002  -7.097  -7.630
  111    H    CYS  19           H        CYS  19  -7.423  -5.005  -2.492
  112    HA   CYS  19           HA       CYS  19  -5.683  -6.480  -0.813
  113    HB2  CYS  19           HB2      CYS  19  -8.065  -4.743  -0.267
  114    HB3  CYS  19           HB3      CYS  19  -7.204  -5.617   0.997
  115    H    ALA  20           H        ALA  20  -6.546  -7.644   1.095
  116    HA   ALA  20           HA       ALA  20  -8.021  -9.926   0.214
  117    HB1  ALA  20           HB1      ALA  20  -6.013 -10.097   1.646
  118    HB2  ALA  20           HB2      ALA  20  -7.426 -10.815   2.414
  119    HB3  ALA  20           HB3      ALA  20  -6.856  -9.221   2.916
  120    H    SER  21           H        SER  21  -9.766 -10.768   1.821
  121    HA   SER  21           HA       SER  21 -11.925  -8.980   1.793
  122    HB2  SER  21           HB2      SER  21 -11.626 -11.561   3.336
  123    HB3  SER  21           HB3      SER  21 -13.135 -10.780   2.863
  124    HG   SER  21           HG       SER  21 -13.003 -11.756   1.081
  125    H    GLY  22           H        GLY  22 -12.142  -7.304   3.132
  126    HA2  GLY  22           HA2      GLY  22 -12.750  -6.552   5.318
  127    HA3  GLY  22           HA3      GLY  22 -11.663  -7.759   5.994
  128    H    THR  23           H        THR  23 -10.222  -6.306   3.383
  129    HA   THR  23           HA       THR  23  -9.045  -4.234   5.064
  130    HB   THR  23           HB       THR  23  -6.830  -4.714   3.923
  131    HG1  THR  23           HG1      THR  23  -8.361  -6.626   2.721
  132   HG21  THR  23          HG21      THR  23  -7.958  -6.876   5.702
  133   HG22  THR  23          HG22      THR  23  -7.203  -5.377   6.238
  134   HG23  THR  23          HG23      THR  23  -6.245  -6.600   5.397
  135    H    THR  24           H        THR  24  -8.343  -2.348   3.951
  136    HA   THR  24           HA       THR  24  -9.211  -2.218   1.177
  137    HB   THR  24           HB       THR  24  -9.997   0.155   1.703
  138    HG1  THR  24           HG1      THR  24  -9.292  -0.688   4.237
  139   HG21  THR  24          HG21      THR  24 -11.505  -2.172   2.893
  140   HG22  THR  24          HG22      THR  24 -11.566  -1.648   1.208
  141   HG23  THR  24          HG23      THR  24 -12.212  -0.612   2.479
  142    H    CYS  25           H        CYS  25  -7.962  -1.017  -0.129
  143    HA   CYS  25           HA       CYS  25  -5.309  -0.498   0.786
  144    HB2  CYS  25           HB2      CYS  25  -5.803  -1.425  -1.458
  145    HB3  CYS  25           HB3      CYS  25  -6.587   0.107  -1.861
  146    H    GLN  26           H        GLN  26  -4.939   1.278   1.971
  147    HA   GLN  26           HA       GLN  26  -6.436   3.618   1.245
  148    HB2  GLN  26           HB2      GLN  26  -5.143   2.823   3.836
  149    HB3  GLN  26           HB3      GLN  26  -5.922   4.378   3.553
  150    HG2  GLN  26           HG2      GLN  26  -8.034   3.234   3.100
  151    HG3  GLN  26           HG3      GLN  26  -7.250   1.680   3.354
  152   HE21  GLN  26          HE21      GLN  26  -8.579   1.103   4.980
  153   HE22  GLN  26          HE22      GLN  26  -8.578   1.810   6.538
  154    H    VAL  27           H        VAL  27  -5.420   5.268   0.472
  155    HA   VAL  27           HA       VAL  27  -2.605   5.168  -0.068
  156    HB   VAL  27           HB       VAL  27  -4.665   7.328  -0.646
  157   HG11  VAL  27          HG11      VAL  27  -1.880   6.981  -1.754
  158   HG12  VAL  27          HG12      VAL  27  -2.400   8.236  -0.632
  159   HG13  VAL  27          HG13      VAL  27  -3.050   8.196  -2.275
  160   HG21  VAL  27          HG21      VAL  27  -4.637   6.455  -2.940
  161   HG22  VAL  27          HG22      VAL  27  -5.188   5.242  -1.785
  162   HG23  VAL  27          HG23      VAL  27  -3.547   5.169  -2.430
  163    H    LEU  28           H        LEU  28  -1.243   5.672   1.494
  164    HA   LEU  28           HA       LEU  28  -2.012   7.556   3.585
  165    HB2  LEU  28           HB2      LEU  28   0.630   6.118   3.240
  166    HB3  LEU  28           HB3      LEU  28   0.052   6.918   4.681
  167    HG   LEU  28           HG       LEU  28  -0.926   4.315   3.519
  168   HD11  LEU  28          HD11      LEU  28  -0.144   3.382   5.618
  169   HD12  LEU  28          HD12      LEU  28   0.396   4.978   6.133
  170   HD13  LEU  28          HD13      LEU  28   1.160   4.195   4.750
  171   HD21  LEU  28          HD21      LEU  28  -1.967   5.846   5.883
  172   HD22  LEU  28          HD22      LEU  28  -2.369   4.177   5.478
  173   HD23  LEU  28          HD23      LEU  28  -2.852   5.490   4.388
  174    H    ASN  29           H        ASN  29   0.419   7.033   1.130
  175    HA   ASN  29           HA       ASN  29   0.898   9.891   0.873
  176    HB2  ASN  29           HB2      ASN  29   2.987   7.661   0.866
  177    HB3  ASN  29           HB3      ASN  29   3.281   9.358   0.518
  178   HD21  ASN  29          HD21      ASN  29   4.483   7.633   2.536
  179   HD22  ASN  29          HD22      ASN  29   4.190   8.393   4.045
  180    HA   PRO  30           HA       PRO  30   0.179   8.893  -3.379
  181    HB2  PRO  30           HB2      PRO  30   2.581   9.739  -4.613
  182    HB3  PRO  30           HB3      PRO  30   1.043  10.581  -4.580
  183    HG2  PRO  30           HG2      PRO  30   3.419  11.279  -3.203
  184    HG3  PRO  30           HG3      PRO  30   1.841  12.058  -3.059
  185    HD2  PRO  30           HD2      PRO  30   3.221  10.343  -1.209
  186    HD3  PRO  30           HD3      PRO  30   1.720  11.241  -0.948
  187    H    TYR  31           H        TYR  31   3.529   8.058  -2.536
  188    HA   TYR  31           HA       TYR  31   3.398   5.925  -4.510
  189    HB2  TYR  31           HB2      TYR  31   5.769   6.785  -2.798
  190    HB3  TYR  31           HB3      TYR  31   5.788   5.636  -4.115
  191    HD1  TYR  31           HD1      TYR  31   6.331   6.351  -6.256
  192    HD2  TYR  31           HD2      TYR  31   5.022   9.235  -3.427
  193    HE1  TYR  31           HE1      TYR  31   6.850   8.153  -7.851
  194    HE2  TYR  31           HE2      TYR  31   5.539  11.034  -5.004
  195    HH   TYR  31           HH       TYR  31   6.493  10.339  -8.300
  196    H    TYR  32           H        TYR  32   3.343   6.469  -1.063
  197    HA   TYR  32           HA       TYR  32   3.348   3.567  -0.718
  198    HB2  TYR  32           HB2      TYR  32   4.952   4.895   0.672
  199    HB3  TYR  32           HB3      TYR  32   3.568   5.629   1.474
  200    HD1  TYR  32           HD1      TYR  32   5.199   2.378   0.786
  201    HD2  TYR  32           HD2      TYR  32   2.552   4.543   3.300
  202    HE1  TYR  32           HE1      TYR  32   5.163   0.490   2.346
  203    HE2  TYR  32           HE2      TYR  32   2.484   2.658   4.880
  204    HH   TYR  32           HH       TYR  32   2.977   0.304   5.047
  205    H    SER  33           H        SER  33   1.453   2.655  -0.761
  206    HA   SER  33           HA       SER  33  -0.753   3.889   0.724
  207    HB2  SER  33           HB2      SER  33  -1.015   2.190  -1.782
  208    HB3  SER  33           HB3      SER  33  -2.312   3.010  -0.919
  209    HG   SER  33           HG       SER  33  -1.563   4.109  -2.808
  210    H    GLN  34           H        GLN  34  -1.759   2.435   2.103
  211    HA   GLN  34           HA       GLN  34  -0.500  -0.211   2.190
  212    HB2  GLN  34           HB2      GLN  34   0.496   1.372   3.809
  213    HB3  GLN  34           HB3      GLN  34  -1.094   1.607   4.512
  214    HG2  GLN  34           HG2      GLN  34  -1.169  -0.691   5.191
  215    HG3  GLN  34           HG3      GLN  34   0.377  -1.004   4.399
  216   HE21  GLN  34          HE21      GLN  34  -1.201   0.470   7.070
  217   HE22  GLN  34          HE22      GLN  34   0.225   0.782   7.994
  218    H    CYS  35           H        CYS  35  -1.833  -1.863   2.835
  219    HA   CYS  35           HA       CYS  35  -4.635  -1.232   2.570
  220    HB2  CYS  35           HB2      CYS  35  -3.494  -3.229   1.434
  221    HB3  CYS  35           HB3      CYS  35  -3.506  -3.971   3.024
  222    H    LEU  36           H        LEU  36  -5.938  -0.949   4.129
  223    HA   LEU  36           HA       LEU  36  -5.355  -2.007   6.772
  224    HB2  LEU  36           HB2      LEU  36  -6.364   0.749   6.049
  225    HB3  LEU  36           HB3      LEU  36  -6.287   0.102   7.673
  226    HG   LEU  36           HG       LEU  36  -3.859   0.519   5.926
  227   HD11  LEU  36          HD11      LEU  36  -3.385   2.440   7.322
  228   HD12  LEU  36          HD12      LEU  36  -4.890   2.189   8.204
  229   HD13  LEU  36          HD13      LEU  36  -4.935   2.652   6.499
  230   HD21  LEU  36          HD21      LEU  36  -2.679   0.254   8.086
  231   HD22  LEU  36          HD22      LEU  36  -3.528  -1.197   7.566
  232   HD23  LEU  36          HD23      LEU  36  -4.218  -0.176   8.829
  233    H1   MAN 101           H1       MAN 101   2.022  -8.654   3.062
  234    H2   MAN 101           H2       MAN 101   2.733  -6.247   2.291
  235    H3   MAN 101           H3       MAN 101   2.953  -5.759   0.144
  236    H4   MAN 101           H4       MAN 101   1.606  -7.108  -1.551
  237    H5   MAN 101           H5       MAN 101  -0.010  -8.728  -0.194
  238    H61  MAN 101           H61      MAN 101   1.443  -9.241  -2.215
  239    H62  MAN 101           H62      MAN 101   1.058 -10.632  -1.189
  240    HO2  MAN 101           HO2      MAN 101   4.083  -8.635   1.541
  241    HO3  MAN 101           HO3      MAN 101   3.691  -8.432  -0.504
  242    HO4  MAN 101           HO4      MAN 101   0.659  -5.445  -0.363
  243    HO6  MAN 101           HO6      MAN 101   3.147 -10.551  -0.328
  Start of MODEL   18
    1    H1   THR   1           H1       THR   1  -3.384 -11.069  -3.996
    2    H2   THR   1           H2       THR   1  -4.862 -11.857  -3.782
    3    H3   THR   1           H3       THR   1  -3.639 -12.029  -2.623
    4    HA   THR   1           HA       THR   1  -5.078  -9.560  -3.252
    5    HB   THR   1           HB       THR   1  -5.787  -9.877  -0.829
    6    HG1  THR   1           HG1      THR   1  -5.775 -12.425  -0.570
    7   HG21  THR   1          HG21      THR   1  -6.771 -11.941  -2.816
    8   HG22  THR   1          HG22      THR   1  -7.332 -10.274  -2.724
    9   HG23  THR   1          HG23      THR   1  -7.647 -11.382  -1.393
   10    H    ALA   2           H        ALA   2  -4.495  -7.810  -1.913
   11    HA   ALA   2           HA       ALA   2  -1.744  -7.777  -1.124
   12    HB1  ALA   2           HB1      ALA   2  -2.116  -5.414  -0.624
   13    HB2  ALA   2           HB2      ALA   2  -3.847  -5.602  -0.916
   14    HB3  ALA   2           HB3      ALA   2  -2.690  -5.831  -2.232
   15    H    SER   3           H        SER   3  -1.048  -7.248   0.922
   16    HA   SER   3           HA       SER   3  -2.459  -8.729   2.933
   17    HB2  SER   3           HB2      SER   3  -0.125  -8.294   4.027
   18    HB3  SER   3           HB3      SER   3  -0.274  -9.425   2.668
   19    H    HIS   4           H        HIS   4  -3.045  -7.982   4.870
   20    HA   HIS   4           HA       HIS   4  -3.814  -5.294   5.241
   21    HB2  HIS   4           HB2      HIS   4  -4.802  -7.393   6.294
   22    HB3  HIS   4           HB3      HIS   4  -3.403  -7.404   7.347
   23    HD1  HIS   4           HD1      HIS   4  -4.872  -7.135   9.444
   24    HD2  HIS   4           HD2      HIS   4  -5.275  -4.032   6.704
   25    HE1  HIS   4           HE1      HIS   4  -6.236  -5.377  10.599
   26    HE2  HIS   4           HE2      HIS   4  -6.747  -3.736   8.803
   27    H    TYR   5           H        TYR   5  -2.651  -3.624   5.927
   28    HA   TYR   5           HA       TYR   5  -1.106  -2.325   6.834
   29    HB2  TYR   5           HB2      TYR   5  -0.134  -4.803   8.264
   30    HB3  TYR   5           HB3      TYR   5   0.656  -3.241   8.427
   31    HD1  TYR   5           HD1      TYR   5  -0.515  -1.387   9.559
   32    HD2  TYR   5           HD2      TYR   5  -2.187  -5.294   9.380
   33    HE1  TYR   5           HE1      TYR   5  -2.032  -0.816  11.411
   34    HE2  TYR   5           HE2      TYR   5  -3.700  -4.731  11.224
   35    HH   TYR   5           HH       TYR   5  -4.210  -1.569  12.284
   36    H    GLY   6           H        GLY   6  -0.726  -4.364   4.515
   37    HA2  GLY   6           HA2      GLY   6   2.125  -3.894   4.078
   38    HA3  GLY   6           HA3      GLY   6   1.062  -4.999   3.196
   39    H    GLN   7           H        GLN   7   2.705  -3.178   1.905
   40    HA   GLN   7           HA       GLN   7   1.218  -0.890   1.113
   41    HB2  GLN   7           HB2      GLN   7   3.697  -1.095   0.864
   42    HB3  GLN   7           HB3      GLN   7   3.449  -2.322  -0.369
   43    HG2  GLN   7           HG2      GLN   7   2.353  -0.661  -1.798
   44    HG3  GLN   7           HG3      GLN   7   2.591   0.566  -0.553
   45   HE21  GLN   7          HE21      GLN   7   3.927   1.876  -1.986
   46   HE22  GLN   7          HE22      GLN   7   5.493   1.337  -2.374
   47    H    CYS   8           H        CYS   8  -0.368  -0.751  -0.347
   48    HA   CYS   8           HA       CYS   8  -1.081  -3.259  -1.758
   49    HB2  CYS   8           HB2      CYS   8  -3.407  -2.616  -1.427
   50    HB3  CYS   8           HB3      CYS   8  -2.490  -2.867   0.064
   51    H    GLY   9           H        GLY   9  -0.347   0.024  -2.366
   52    HA2  GLY   9           HA2      GLY   9  -0.836  -0.185  -5.112
   53    HA3  GLY   9           HA3      GLY   9  -2.320   0.383  -4.376
   54    H    GLY  10           H        GLY  10   1.108   1.093  -4.217
   55    HA2  GLY  10           HA2      GLY  10   0.403   3.947  -4.261
   56    HA3  GLY  10           HA3      GLY  10   1.925   3.287  -3.657
   57    H    ILE  11           H        ILE  11   2.103   5.248  -5.510
   58    HA   ILE  11           HA       ILE  11   2.204   4.196  -8.132
   59    HB   ILE  11           HB       ILE  11   3.688   6.607  -7.014
   60   HG12  ILE  11          HG12      ILE  11   1.059   6.460  -8.519
   61   HG13  ILE  11          HG13      ILE  11   1.224   6.754  -6.793
   62   HG21  ILE  11          HG21      ILE  11   3.839   7.328  -9.370
   63   HG22  ILE  11          HG22      ILE  11   3.098   5.812  -9.877
   64   HG23  ILE  11          HG23      ILE  11   4.679   5.802  -9.095
   65   HD11  ILE  11          HD11      ILE  11   2.397   8.842  -7.267
   66   HD12  ILE  11          HD12      ILE  11   0.803   8.803  -8.024
   67   HD13  ILE  11          HD13      ILE  11   2.248   8.534  -8.995
   68    H    GLY  12           H        GLY  12   3.669   2.895  -8.981
   69    HA2  GLY  12           HA2      GLY  12   5.890   2.183  -9.428
   70    HA3  GLY  12           HA3      GLY  12   6.393   2.861  -7.882
   71    H    TYR  13           H        TYR  13   3.611   1.376  -7.239
   72    HA   TYR  13           HA       TYR  13   4.972  -1.090  -6.493
   73    HB2  TYR  13           HB2      TYR  13   3.962   0.052  -4.608
   74    HB3  TYR  13           HB3      TYR  13   2.425   0.168  -5.450
   75    HD1  TYR  13           HD1      TYR  13   0.814  -1.435  -5.094
   76    HD2  TYR  13           HD2      TYR  13   4.840  -2.368  -4.133
   77    HE1  TYR  13           HE1      TYR  13   0.079  -3.534  -4.103
   78    HE2  TYR  13           HE2      TYR  13   4.107  -4.490  -3.123
   79    HH   TYR  13           HH       TYR  13   0.769  -5.537  -3.420
   80    H    SER  14           H        SER  14   4.793  -2.557  -7.992
   81    HA   SER  14           HA       SER  14   2.383  -2.693  -9.607
   82    HB2  SER  14           HB2      SER  14   3.921  -4.128 -11.045
   83    HB3  SER  14           HB3      SER  14   4.315  -2.413 -10.922
   84    HG   SER  14           HG       SER  14   5.575  -4.634  -9.753
   85    H    GLY  15           H        GLY  15   3.472  -4.034  -6.870
   86    HA2  GLY  15           HA2      GLY  15   2.993  -6.839  -7.273
   87    HA3  GLY  15           HA3      GLY  15   3.076  -6.020  -5.717
   88    HA   PRO  16           HA       PRO  16  -1.309  -7.688  -6.272
   89    HB2  PRO  16           HB2      PRO  16  -1.405  -8.048  -3.504
   90    HB3  PRO  16           HB3      PRO  16  -0.986  -9.308  -4.675
   91    HG2  PRO  16           HG2      PRO  16   0.835  -7.465  -3.160
   92    HG3  PRO  16           HG3      PRO  16   0.982  -9.237  -3.353
   93    HD2  PRO  16           HD2      PRO  16   2.469  -7.683  -4.785
   94    HD3  PRO  16           HD3      PRO  16   1.581  -8.971  -5.629
   95    H    THR  17           H        THR  17  -2.600  -5.908  -6.562
   96    HA   THR  17           HA       THR  17  -2.485  -3.783  -4.603
   97    HB   THR  17           HB       THR  17  -3.854  -2.578  -6.402
   98    HG1  THR  17           HG1      THR  17  -4.037  -3.524  -8.315
   99   HG21  THR  17          HG21      THR  17  -1.850  -2.057  -7.738
  100   HG22  THR  17          HG22      THR  17  -1.041  -3.478  -7.075
  101   HG23  THR  17          HG23      THR  17  -1.460  -2.132  -6.019
  102    H    VAL  18           H        VAL  18  -4.611  -6.189  -5.942
  103    HA   VAL  18           HA       VAL  18  -7.016  -5.142  -4.775
  104    HB   VAL  18           HB       VAL  18  -6.411  -7.979  -5.683
  105   HG11  VAL  18          HG11      VAL  18  -9.065  -6.617  -5.212
  106   HG12  VAL  18          HG12      VAL  18  -8.350  -7.889  -4.219
  107   HG13  VAL  18          HG13      VAL  18  -8.843  -8.239  -5.875
  108   HG21  VAL  18          HG21      VAL  18  -6.113  -6.385  -7.510
  109   HG22  VAL  18          HG22      VAL  18  -7.717  -5.722  -7.208
  110   HG23  VAL  18          HG23      VAL  18  -7.543  -7.381  -7.777
  111    H    CYS  19           H        CYS  19  -7.300  -5.063  -2.625
  112    HA   CYS  19           HA       CYS  19  -5.667  -6.461  -0.784
  113    HB2  CYS  19           HB2      CYS  19  -8.073  -4.698  -0.422
  114    HB3  CYS  19           HB3      CYS  19  -7.311  -5.546   0.921
  115    H    ALA  20           H        ALA  20  -6.499  -7.629   1.095
  116    HA   ALA  20           HA       ALA  20  -7.832  -9.998   0.250
  117    HB1  ALA  20           HB1      ALA  20  -6.803  -9.139   2.952
  118    HB2  ALA  20           HB2      ALA  20  -5.871 -10.000   1.742
  119    HB3  ALA  20           HB3      ALA  20  -7.265 -10.779   2.501
  120    H    SER  21           H        SER  21  -9.441 -10.936   1.987
  121    HA   SER  21           HA       SER  21 -11.807  -9.435   1.812
  122    HB2  SER  21           HB2      SER  21 -11.215 -11.832   3.552
  123    HB3  SER  21           HB3      SER  21 -12.793 -11.286   2.975
  124    HG   SER  21           HG       SER  21 -11.967 -11.634   0.822
  125    H    GLY  22           H        GLY  22 -12.284  -7.723   3.035
  126    HA2  GLY  22           HA2      GLY  22 -12.937  -6.763   5.066
  127    HA3  GLY  22           HA3      GLY  22 -11.878  -7.881   5.914
  128    H    THR  23           H        THR  23 -10.324  -6.504   3.269
  129    HA   THR  23           HA       THR  23  -9.223  -4.417   5.001
  130    HB   THR  23           HB       THR  23  -6.982  -4.815   3.897
  131    HG1  THR  23           HG1      THR  23  -8.482  -6.662   2.517
  132   HG21  THR  23          HG21      THR  23  -8.167  -7.129   5.425
  133   HG22  THR  23          HG22      THR  23  -7.403  -5.693   6.116
  134   HG23  THR  23          HG23      THR  23  -6.447  -6.837   5.177
  135    H    THR  24           H        THR  24  -8.512  -2.516   4.005
  136    HA   THR  24           HA       THR  24  -9.440  -2.158   1.250
  137    HB   THR  24           HB       THR  24 -10.164   0.212   1.999
  138    HG1  THR  24           HG1      THR  24  -9.332  -0.560   4.380
  139   HG21  THR  24          HG21      THR  24 -11.755  -2.203   2.849
  140   HG22  THR  24          HG22      THR  24 -11.720  -1.505   1.232
  141   HG23  THR  24          HG23      THR  24 -12.407  -0.588   2.575
  142    H    CYS  25           H        CYS  25  -8.204  -0.886  -0.046
  143    HA   CYS  25           HA       CYS  25  -5.525  -0.455   0.921
  144    HB2  CYS  25           HB2      CYS  25  -6.032  -1.416  -1.344
  145    HB3  CYS  25           HB3      CYS  25  -6.676   0.173  -1.785
  146    H    GLN  26           H        GLN  26  -4.910   1.400   1.901
  147    HA   GLN  26           HA       GLN  26  -6.403   3.776   1.210
  148    HB2  GLN  26           HB2      GLN  26  -5.001   3.013   3.757
  149    HB3  GLN  26           HB3      GLN  26  -5.829   4.537   3.515
  150    HG2  GLN  26           HG2      GLN  26  -7.914   3.098   3.070
  151    HG3  GLN  26           HG3      GLN  26  -6.970   1.767   3.720
  152   HE21  GLN  26          HE21      GLN  26  -8.269   1.444   5.544
  153   HE22  GLN  26          HE22      GLN  26  -8.359   2.616   6.797
  154    H    VAL  27           H        VAL  27  -5.195   5.083  -0.049
  155    HA   VAL  27           HA       VAL  27  -2.355   4.958  -0.170
  156    HB   VAL  27           HB       VAL  27  -4.287   7.048  -1.257
  157   HG11  VAL  27          HG11      VAL  27  -1.355   6.662  -1.873
  158   HG12  VAL  27          HG12      VAL  27  -2.049   8.010  -0.974
  159   HG13  VAL  27          HG13      VAL  27  -2.436   7.798  -2.681
  160   HG21  VAL  27          HG21      VAL  27  -4.543   4.810  -2.251
  161   HG22  VAL  27          HG22      VAL  27  -2.829   4.807  -2.650
  162   HG23  VAL  27          HG23      VAL  27  -3.904   5.976  -3.410
  163    H    LEU  28           H        LEU  28  -0.999   5.768   1.222
  164    HA   LEU  28           HA       LEU  28  -1.932   7.746   3.173
  165    HB2  LEU  28           HB2      LEU  28   0.524   5.993   3.153
  166    HB3  LEU  28           HB3      LEU  28   0.099   7.103   4.435
  167    HG   LEU  28           HG       LEU  28  -1.533   4.685   3.636
  168   HD11  LEU  28          HD11      LEU  28   0.306   5.160   5.964
  169   HD12  LEU  28          HD12      LEU  28   0.569   4.053   4.612
  170   HD13  LEU  28          HD13      LEU  28  -0.741   3.756   5.755
  171   HD21  LEU  28          HD21      LEU  28  -2.706   5.107   5.723
  172   HD22  LEU  28          HD22      LEU  28  -2.874   6.469   4.600
  173   HD23  LEU  28          HD23      LEU  28  -1.733   6.561   5.955
  174    H    ASN  29           H        ASN  29   0.768   7.022   1.059
  175    HA   ASN  29           HA       ASN  29   1.409   9.873   0.820
  176    HB2  ASN  29           HB2      ASN  29   3.367   7.517   0.727
  177    HB3  ASN  29           HB3      ASN  29   3.744   9.210   0.473
  178   HD21  ASN  29          HD21      ASN  29   4.806   7.294   2.411
  179   HD22  ASN  29          HD22      ASN  29   4.548   7.992   3.964
  180    HA   PRO  30           HA       PRO  30   0.718   9.042  -3.442
  181    HB2  PRO  30           HB2      PRO  30   3.085   9.776  -4.769
  182    HB3  PRO  30           HB3      PRO  30   1.687  10.800  -4.467
  183    HG2  PRO  30           HG2      PRO  30   4.295  10.850  -3.197
  184    HG3  PRO  30           HG3      PRO  30   2.985  12.026  -3.104
  185    HD2  PRO  30           HD2      PRO  30   3.823  10.200  -1.143
  186    HD3  PRO  30           HD3      PRO  30   2.420  11.251  -1.030
  187    H    TYR  31           H        TYR  31   3.845   7.835  -2.385
  188    HA   TYR  31           HA       TYR  31   3.612   5.711  -4.378
  189    HB2  TYR  31           HB2      TYR  31   6.011   6.552  -2.709
  190    HB3  TYR  31           HB3      TYR  31   6.006   5.253  -3.888
  191    HD1  TYR  31           HD1      TYR  31   6.472   5.717  -6.167
  192    HD2  TYR  31           HD2      TYR  31   5.481   8.944  -3.577
  193    HE1  TYR  31           HE1      TYR  31   7.013   7.324  -7.948
  194    HE2  TYR  31           HE2      TYR  31   6.022  10.540  -5.352
  195    HH   TYR  31           HH       TYR  31   7.304  10.668  -7.363
  196    H    TYR  32           H        TYR  32   3.405   6.324  -0.992
  197    HA   TYR  32           HA       TYR  32   3.426   3.444  -0.470
  198    HB2  TYR  32           HB2      TYR  32   4.960   4.761   0.944
  199    HB3  TYR  32           HB3      TYR  32   3.594   5.678   1.563
  200    HD1  TYR  32           HD1      TYR  32   4.828   2.192   1.257
  201    HD2  TYR  32           HD2      TYR  32   2.525   4.947   3.555
  202    HE1  TYR  32           HE1      TYR  32   4.562   0.507   3.004
  203    HE2  TYR  32           HE2      TYR  32   2.263   3.266   5.302
  204    HH   TYR  32           HH       TYR  32   4.112   0.470   5.467
  205    H    SER  33           H        SER  33   1.555   2.497  -0.481
  206    HA   SER  33           HA       SER  33  -0.724   3.837   0.796
  207    HB2  SER  33           HB2      SER  33  -0.890   1.954  -1.582
  208    HB3  SER  33           HB3      SER  33  -2.199   2.889  -0.859
  209    HG   SER  33           HG       SER  33  -1.219   3.787  -2.808
  210    H    GLN  34           H        GLN  34  -1.740   2.521   2.308
  211    HA   GLN  34           HA       GLN  34  -0.513  -0.136   2.635
  212    HB2  GLN  34           HB2      GLN  34   0.201   1.645   4.273
  213    HB3  GLN  34           HB3      GLN  34  -1.465   1.719   4.819
  214    HG2  GLN  34           HG2      GLN  34  -1.345  -0.614   5.489
  215    HG3  GLN  34           HG3      GLN  34   0.326  -0.685   4.942
  216   HE21  GLN  34          HE21      GLN  34   1.174  -1.155   6.913
  217   HE22  GLN  34          HE22      GLN  34   1.207  -0.044   8.226
  218    H    CYS  35           H        CYS  35  -1.922  -1.802   3.062
  219    HA   CYS  35           HA       CYS  35  -4.721  -1.161   2.651
  220    HB2  CYS  35           HB2      CYS  35  -3.606  -3.167   1.514
  221    HB3  CYS  35           HB3      CYS  35  -3.668  -3.949   3.087
  222    H    LEU  36           H        LEU  36  -5.935  -0.663   4.177
  223    HA   LEU  36           HA       LEU  36  -5.659  -1.926   6.786
  224    HB2  LEU  36           HB2      LEU  36  -6.323   0.963   6.175
  225    HB3  LEU  36           HB3      LEU  36  -6.223   0.241   7.771
  226    HG   LEU  36           HG       LEU  36  -3.859   0.466   5.907
  227   HD11  LEU  36          HD11      LEU  36  -3.157   2.363   7.276
  228   HD12  LEU  36          HD12      LEU  36  -4.683   2.288   8.153
  229   HD13  LEU  36          HD13      LEU  36  -4.670   2.686   6.430
  230   HD21  LEU  36          HD21      LEU  36  -3.661  -1.256   7.625
  231   HD22  LEU  36          HD22      LEU  36  -4.074  -0.076   8.867
  232   HD23  LEU  36          HD23      LEU  36  -2.573   0.091   7.957
  233    H1   MAN 101           H1       MAN 101   1.492  -9.241   1.473
  234    H2   MAN 101           H2       MAN 101   2.293  -8.540   3.835
  235    H3   MAN 101           H3       MAN 101   2.522  -6.182   3.619
  236    H4   MAN 101           H4       MAN 101   4.603  -6.660   1.413
  237    H5   MAN 101           H5       MAN 101   1.768  -5.603   1.098
  238    H61  MAN 101           H61      MAN 101   3.550  -4.813  -0.480
  239    H62  MAN 101           H62      MAN 101   2.193  -5.641  -1.273
  240    HO2  MAN 101           HO2      MAN 101   4.412  -9.063   3.351
  241    HO3  MAN 101           HO3      MAN 101   5.123  -7.327   3.411
  242    HO4  MAN 101           HO4      MAN 101   4.748  -4.751   2.668
  243    HO6  MAN 101           HO6      MAN 101   3.602  -7.589  -0.861
  Start of MODEL   19
    1    H1   THR   1           H1       THR   1  -2.652 -12.043  -3.584
    2    H2   THR   1           H2       THR   1  -1.979 -11.873  -2.033
    3    H3   THR   1           H3       THR   1  -1.356 -10.964  -3.303
    4    HA   THR   1           HA       THR   1  -3.539  -9.851  -3.469
    5    HB   THR   1           HB       THR   1  -4.163 -11.261  -0.892
    6    HG1  THR   1           HG1      THR   1  -5.177 -12.882  -2.101
    7   HG21  THR   1          HG21      THR   1  -5.906 -10.118  -3.088
    8   HG22  THR   1          HG22      THR   1  -5.523  -9.316  -1.569
    9   HG23  THR   1          HG23      THR   1  -6.481 -10.798  -1.566
   10    H    ALA   2           H        ALA   2  -3.823  -7.938  -2.089
   11    HA   ALA   2           HA       ALA   2  -1.427  -7.322  -0.652
   12    HB1  ALA   2           HB1      ALA   2  -3.933  -5.676  -1.057
   13    HB2  ALA   2           HB2      ALA   2  -2.494  -5.643  -2.075
   14    HB3  ALA   2           HB3      ALA   2  -2.399  -5.091  -0.404
   15    H    SER   3           H        SER   3  -1.116  -7.375   1.469
   16    HA   SER   3           HA       SER   3  -3.118  -8.669   3.086
   17    HB2  SER   3           HB2      SER   3  -1.179  -8.714   4.644
   18    HB3  SER   3           HB3      SER   3  -0.853  -9.493   3.083
   19    H    HIS   4           H        HIS   4  -3.199  -7.868   5.346
   20    HA   HIS   4           HA       HIS   4  -3.871  -5.112   5.542
   21    HB2  HIS   4           HB2      HIS   4  -4.852  -7.058   6.889
   22    HB3  HIS   4           HB3      HIS   4  -3.330  -7.118   7.748
   23    HD1  HIS   4           HD1      HIS   4  -4.596  -6.605   9.949
   24    HD2  HIS   4           HD2      HIS   4  -4.890  -3.644   7.079
   25    HE1  HIS   4           HE1      HIS   4  -5.584  -4.635  11.131
   26    HE2  HIS   4           HE2      HIS   4  -6.109  -3.054   9.286
   27    H    TYR   5           H        TYR   5  -2.415  -3.519   5.843
   28    HA   TYR   5           HA       TYR   5  -0.620  -2.345   6.485
   29    HB2  TYR   5           HB2      TYR   5   0.163  -4.819   8.041
   30    HB3  TYR   5           HB3      TYR   5   1.209  -3.408   7.944
   31    HD1  TYR   5           HD1      TYR   5  -1.810  -4.813   9.418
   32    HD2  TYR   5           HD2      TYR   5   0.511  -1.292   8.932
   33    HE1  TYR   5           HE1      TYR   5  -3.020  -3.757  11.282
   34    HE2  TYR   5           HE2      TYR   5  -0.681  -0.233  10.775
   35    HH   TYR   5           HH       TYR   5  -2.651  -1.945  12.917
   36    H    GLY   6           H        GLY   6  -0.822  -4.288   4.190
   37    HA2  GLY   6           HA2      GLY   6   2.003  -4.209   3.437
   38    HA3  GLY   6           HA3      GLY   6   0.743  -5.161   2.649
   39    H    GLN   7           H        GLN   7   2.571  -3.262   1.422
   40    HA   GLN   7           HA       GLN   7   1.117  -0.916   0.768
   41    HB2  GLN   7           HB2      GLN   7   3.606  -1.184   0.462
   42    HB3  GLN   7           HB3      GLN   7   3.277  -2.308  -0.848
   43    HG2  GLN   7           HG2      GLN   7   2.154  -0.509  -2.090
   44    HG3  GLN   7           HG3      GLN   7   2.522   0.611  -0.782
   45   HE21  GLN   7          HE21      GLN   7   3.814   1.977  -2.129
   46   HE22  GLN   7          HE22      GLN   7   5.323   1.448  -2.692
   47    H    CYS   8           H        CYS   8  -0.574  -0.764  -0.544
   48    HA   CYS   8           HA       CYS   8  -1.278  -3.173  -2.102
   49    HB2  CYS   8           HB2      CYS   8  -3.596  -2.450  -1.786
   50    HB3  CYS   8           HB3      CYS   8  -2.748  -2.840  -0.283
   51    H    GLY   9           H        GLY   9  -0.178  -0.113  -2.709
   52    HA2  GLY   9           HA2      GLY   9  -0.604  -0.137  -5.419
   53    HA3  GLY   9           HA3      GLY   9  -2.100   0.495  -4.765
   54    H    GLY  10           H        GLY  10   1.347   1.013  -4.308
   55    HA2  GLY  10           HA2      GLY  10   0.780   3.905  -4.333
   56    HA3  GLY  10           HA3      GLY  10   2.203   3.164  -3.579
   57    H    ILE  11           H        ILE  11   2.440   5.200  -5.448
   58    HA   ILE  11           HA       ILE  11   2.775   4.332  -8.083
   59    HB   ILE  11           HB       ILE  11   4.370   6.500  -6.674
   60   HG12  ILE  11          HG12      ILE  11   1.768   6.675  -8.228
   61   HG13  ILE  11          HG13      ILE  11   1.936   6.827  -6.489
   62   HG21  ILE  11          HG21      ILE  11   5.373   5.815  -8.795
   63   HG22  ILE  11          HG22      ILE  11   4.673   7.430  -8.947
   64   HG23  ILE  11          HG23      ILE  11   3.829   6.031  -9.613
   65   HD11  ILE  11          HD11      ILE  11   3.263   8.857  -6.780
   66   HD12  ILE  11          HD12      ILE  11   1.674   8.996  -7.532
   67   HD13  ILE  11          HD13      ILE  11   3.099   8.710  -8.530
   68    H    GLY  12           H        GLY  12   4.064   2.879  -8.885
   69    HA2  GLY  12           HA2      GLY  12   6.277   2.119  -9.419
   70    HA3  GLY  12           HA3      GLY  12   6.770   2.557  -7.788
   71    H    TYR  13           H        TYR  13   4.076   1.307  -6.976
   72    HA   TYR  13           HA       TYR  13   5.195  -1.298  -6.466
   73    HB2  TYR  13           HB2      TYR  13   4.054  -0.226  -4.634
   74    HB3  TYR  13           HB3      TYR  13   2.621   0.035  -5.612
   75    HD1  TYR  13           HD1      TYR  13   4.726  -2.708  -4.197
   76    HD2  TYR  13           HD2      TYR  13   0.883  -1.467  -5.495
   77    HE1  TYR  13           HE1      TYR  13   3.757  -4.803  -3.341
   78    HE2  TYR  13           HE2      TYR  13  -0.088  -3.545  -4.656
   79    HH   TYR  13           HH       TYR  13   0.397  -5.616  -3.951
   80    H    SER  14           H        SER  14   5.054  -2.770  -7.918
   81    HA   SER  14           HA       SER  14   2.818  -2.809  -9.795
   82    HB2  SER  14           HB2      SER  14   4.485  -4.217 -11.101
   83    HB3  SER  14           HB3      SER  14   4.895  -2.514 -10.883
   84    HG   SER  14           HG       SER  14   6.478  -4.347 -10.392
   85    H    GLY  15           H        GLY  15   3.011  -3.976  -7.003
   86    HA2  GLY  15           HA2      GLY  15   2.763  -6.832  -7.561
   87    HA3  GLY  15           HA3      GLY  15   2.726  -6.091  -5.965
   88    HA   PRO  16           HA       PRO  16  -1.636  -7.385  -7.043
   89    HB2  PRO  16           HB2      PRO  16  -2.018  -8.088  -4.385
   90    HB3  PRO  16           HB3      PRO  16  -1.528  -9.207  -5.664
   91    HG2  PRO  16           HG2      PRO  16   0.225  -7.668  -3.752
   92    HG3  PRO  16           HG3      PRO  16   0.283  -9.412  -4.150
   93    HD2  PRO  16           HD2      PRO  16   1.977  -7.778  -5.216
   94    HD3  PRO  16           HD3      PRO  16   1.146  -8.940  -6.275
   95    H    THR  17           H        THR  17  -3.025  -5.685  -7.039
   96    HA   THR  17           HA       THR  17  -2.769  -3.635  -4.989
   97    HB   THR  17           HB       THR  17  -4.331  -2.419  -6.691
   98    HG1  THR  17           HG1      THR  17  -3.342  -3.555  -8.832
   99   HG21  THR  17          HG21      THR  17  -1.973  -1.820  -6.278
  100   HG22  THR  17          HG22      THR  17  -2.374  -1.684  -7.988
  101   HG23  THR  17          HG23      THR  17  -1.460  -3.077  -7.404
  102    H    VAL  18           H        VAL  18  -4.651  -6.283  -5.700
  103    HA   VAL  18           HA       VAL  18  -7.104  -5.227  -4.555
  104    HB   VAL  18           HB       VAL  18  -6.386  -8.043  -5.461
  105   HG11  VAL  18          HG11      VAL  18  -9.065  -6.947  -4.610
  106   HG12  VAL  18          HG12      VAL  18  -8.090  -8.144  -3.753
  107   HG13  VAL  18          HG13      VAL  18  -8.785  -8.536  -5.324
  108   HG21  VAL  18          HG21      VAL  18  -8.099  -5.939  -6.786
  109   HG22  VAL  18          HG22      VAL  18  -7.852  -7.584  -7.375
  110   HG23  VAL  18          HG23      VAL  18  -6.497  -6.455  -7.309
  111    H    CYS  19           H        CYS  19  -7.657  -5.434  -2.450
  112    HA   CYS  19           HA       CYS  19  -5.753  -6.632  -0.622
  113    HB2  CYS  19           HB2      CYS  19  -8.163  -4.884  -0.236
  114    HB3  CYS  19           HB3      CYS  19  -7.330  -5.669   1.088
  115    H    ALA  20           H        ALA  20  -6.581  -7.832   1.209
  116    HA   ALA  20           HA       ALA  20  -8.262 -10.003   0.446
  117    HB1  ALA  20           HB1      ALA  20  -7.018  -9.232   3.086
  118    HB2  ALA  20           HB2      ALA  20  -6.342 -10.346   1.890
  119    HB3  ALA  20           HB3      ALA  20  -7.820 -10.768   2.755
  120    H    SER  21           H        SER  21 -10.146 -10.625   1.881
  121    HA   SER  21           HA       SER  21 -11.913  -8.397   2.021
  122    HB2  SER  21           HB2      SER  21 -12.351 -11.260   2.901
  123    HB3  SER  21           HB3      SER  21 -13.605 -10.050   2.592
  124    HG   SER  21           HG       SER  21 -12.415  -9.934   0.428
  125    H    GLY  22           H        GLY  22 -12.360  -7.173   3.700
  126    HA2  GLY  22           HA2      GLY  22 -12.661  -6.832   6.051
  127    HA3  GLY  22           HA3      GLY  22 -11.369  -7.994   6.336
  128    H    THR  23           H        THR  23 -10.352  -6.303   3.736
  129    HA   THR  23           HA       THR  23  -9.171  -4.158   5.318
  130    HB   THR  23           HB       THR  23  -6.984  -4.587   4.090
  131    HG1  THR  23           HG1      THR  23  -8.478  -6.527   2.925
  132   HG21  THR  23          HG21      THR  23  -7.968  -6.755   5.943
  133   HG22  THR  23          HG22      THR  23  -7.233  -5.225   6.431
  134   HG23  THR  23          HG23      THR  23  -6.280  -6.427   5.555
  135    H    THR  24           H        THR  24  -8.516  -2.283   4.093
  136    HA   THR  24           HA       THR  24  -9.548  -2.200   1.362
  137    HB   THR  24           HB       THR  24 -10.242   0.209   1.873
  138    HG1  THR  24           HG1      THR  24  -9.425  -0.600   4.394
  139   HG21  THR  24          HG21      THR  24 -11.742  -1.999   3.284
  140   HG22  THR  24          HG22      THR  24 -11.904  -1.568   1.582
  141   HG23  THR  24          HG23      THR  24 -12.419  -0.434   2.832
  142    H    CYS  25           H        CYS  25  -8.312  -0.987  -0.052
  143    HA   CYS  25           HA       CYS  25  -5.617  -0.512   0.818
  144    HB2  CYS  25           HB2      CYS  25  -6.129  -1.448  -1.427
  145    HB3  CYS  25           HB3      CYS  25  -6.891   0.089  -1.849
  146    H    GLN  26           H        GLN  26  -5.002   1.347   1.794
  147    HA   GLN  26           HA       GLN  26  -6.495   3.715   1.064
  148    HB2  GLN  26           HB2      GLN  26  -5.205   2.954   3.658
  149    HB3  GLN  26           HB3      GLN  26  -5.934   4.513   3.332
  150    HG2  GLN  26           HG2      GLN  26  -8.091   3.339   2.903
  151    HG3  GLN  26           HG3      GLN  26  -7.312   1.836   3.389
  152   HE21  GLN  26          HE21      GLN  26  -8.643   1.524   5.083
  153   HE22  GLN  26          HE22      GLN  26  -8.597   2.488   6.517
  154    H    VAL  27           H        VAL  27  -5.358   5.164   0.064
  155    HA   VAL  27           HA       VAL  27  -2.521   4.988  -0.186
  156    HB   VAL  27           HB       VAL  27  -4.449   7.184  -1.039
  157   HG11  VAL  27          HG11      VAL  27  -1.581   6.734  -1.855
  158   HG12  VAL  27          HG12      VAL  27  -2.180   8.052  -0.847
  159   HG13  VAL  27          HG13      VAL  27  -2.665   7.946  -2.539
  160   HG21  VAL  27          HG21      VAL  27  -3.215   4.934  -2.626
  161   HG22  VAL  27          HG22      VAL  27  -4.222   6.220  -3.285
  162   HG23  VAL  27          HG23      VAL  27  -4.907   5.061  -2.145
  163    H    LEU  28           H        LEU  28  -1.265   5.515   1.469
  164    HA   LEU  28           HA       LEU  28  -2.175   7.407   3.489
  165    HB2  LEU  28           HB2      LEU  28   0.433   5.903   3.328
  166    HB3  LEU  28           HB3      LEU  28  -0.167   6.783   4.715
  167    HG   LEU  28           HG       LEU  28  -1.232   4.192   3.597
  168   HD11  LEU  28          HD11      LEU  28   0.806   3.975   4.866
  169   HD12  LEU  28          HD12      LEU  28  -0.553   3.320   5.782
  170   HD13  LEU  28          HD13      LEU  28   0.108   4.902   6.187
  171   HD21  LEU  28          HD21      LEU  28  -2.750   4.174   5.473
  172   HD22  LEU  28          HD22      LEU  28  -3.097   5.541   4.403
  173   HD23  LEU  28          HD23      LEU  28  -2.239   5.797   5.936
  174    H    ASN  29           H        ASN  29   0.281   6.975   1.075
  175    HA   ASN  29           HA       ASN  29   0.835   9.817   0.984
  176    HB2  ASN  29           HB2      ASN  29   2.987   7.642   1.083
  177    HB3  ASN  29           HB3      ASN  29   3.230   9.372   0.861
  178   HD21  ASN  29          HD21      ASN  29   2.568   6.851   3.139
  179   HD22  ASN  29          HD22      ASN  29   2.800   7.772   4.572
  180    HA   PRO  30           HA       PRO  30   0.491   8.821  -3.309
  181    HB2  PRO  30           HB2      PRO  30   2.947   9.762  -4.357
  182    HB3  PRO  30           HB3      PRO  30   1.378  10.542  -4.436
  183    HG2  PRO  30           HG2      PRO  30   3.610  11.309  -2.883
  184    HG3  PRO  30           HG3      PRO  30   1.999  12.040  -2.868
  185    HD2  PRO  30           HD2      PRO  30   3.283  10.365  -0.902
  186    HD3  PRO  30           HD3      PRO  30   1.739  11.202  -0.753
  187    H    TYR  31           H        TYR  31   3.760   8.028  -2.125
  188    HA   TYR  31           HA       TYR  31   3.813   5.938  -4.145
  189    HB2  TYR  31           HB2      TYR  31   5.932   6.751  -2.145
  190    HB3  TYR  31           HB3      TYR  31   6.125   5.521  -3.382
  191    HD1  TYR  31           HD1      TYR  31   5.763   9.150  -2.785
  192    HD2  TYR  31           HD2      TYR  31   6.581   6.121  -5.661
  193    HE1  TYR  31           HE1      TYR  31   6.561  10.852  -4.332
  194    HE2  TYR  31           HE2      TYR  31   7.384   7.839  -7.225
  195    HH   TYR  31           HH       TYR  31   7.099  10.213  -7.608
  196    H    TYR  32           H        TYR  32   3.348   6.357  -0.705
  197    HA   TYR  32           HA       TYR  32   3.315   3.447  -0.502
  198    HB2  TYR  32           HB2      TYR  32   4.849   4.619   1.071
  199    HB3  TYR  32           HB3      TYR  32   3.434   5.352   1.830
  200    HD1  TYR  32           HD1      TYR  32   2.169   4.146   3.413
  201    HD2  TYR  32           HD2      TYR  32   5.103   2.136   1.105
  202    HE1  TYR  32           HE1      TYR  32   1.891   2.163   4.827
  203    HE2  TYR  32           HE2      TYR  32   4.852   0.129   2.495
  204    HH   TYR  32           HH       TYR  32   4.102  -0.342   4.861
  205    H    SER  33           H        SER  33   1.425   2.559  -0.719
  206    HA   SER  33           HA       SER  33  -0.870   3.800   0.623
  207    HB2  SER  33           HB2      SER  33  -0.927   1.944  -1.795
  208    HB3  SER  33           HB3      SER  33  -2.288   2.815  -1.089
  209    HG   SER  33           HG       SER  33  -1.210   3.757  -3.030
  210    H    GLN  34           H        GLN  34  -1.822   2.468   2.152
  211    HA   GLN  34           HA       GLN  34  -0.640  -0.208   2.393
  212    HB2  GLN  34           HB2      GLN  34   0.315   1.334   4.022
  213    HB3  GLN  34           HB3      GLN  34  -1.297   1.755   4.583
  214    HG2  GLN  34           HG2      GLN  34  -1.618  -0.491   5.419
  215    HG3  GLN  34           HG3      GLN  34  -0.047  -0.974   4.779
  216   HE21  GLN  34          HE21      GLN  34   1.825  -0.268   5.828
  217   HE22  GLN  34          HE22      GLN  34   1.797   0.353   7.418
  218    H    CYS  35           H        CYS  35  -2.028  -1.811   2.832
  219    HA   CYS  35           HA       CYS  35  -4.812  -1.152   2.598
  220    HB2  CYS  35           HB2      CYS  35  -3.698  -3.172   1.478
  221    HB3  CYS  35           HB3      CYS  35  -3.698  -3.894   3.078
  222    H    LEU  36           H        LEU  36  -6.128  -0.871   4.169
  223    HA   LEU  36           HA       LEU  36  -5.471  -1.837   6.839
  224    HB2  LEU  36           HB2      LEU  36  -6.573   0.854   6.051
  225    HB3  LEU  36           HB3      LEU  36  -6.421   0.262   7.694
  226    HG   LEU  36           HG       LEU  36  -4.103   0.741   5.817
  227   HD11  LEU  36          HD11      LEU  36  -3.580   2.634   7.271
  228   HD12  LEU  36          HD12      LEU  36  -5.079   2.366   8.163
  229   HD13  LEU  36          HD13      LEU  36  -5.133   2.831   6.460
  230   HD21  LEU  36          HD21      LEU  36  -3.636  -1.027   7.397
  231   HD22  LEU  36          HD22      LEU  36  -4.205  -0.030   8.731
  232   HD23  LEU  36          HD23      LEU  36  -2.743   0.422   7.850
  233    H1   MAN 101           H1       MAN 101   1.541  -8.948   3.625
  234    H2   MAN 101           H2       MAN 101   0.228  -7.186   5.723
  235    H3   MAN 101           H3       MAN 101   2.238  -6.012   5.864
  236    H4   MAN 101           H4       MAN 101   3.637  -8.682   5.405
  237    H5   MAN 101           H5       MAN 101   3.941  -6.229   3.579
  238    H61  MAN 101           H61      MAN 101   3.752  -8.008   1.832
  239    H62  MAN 101           H62      MAN 101   3.692  -9.249   3.100
  240    HO2  MAN 101           HO2      MAN 101   1.030  -8.907   7.027
  241    HO3  MAN 101           HO3      MAN 101   1.702  -7.076   7.886
  242    HO4  MAN 101           HO4      MAN 101   4.642  -7.253   6.838
  243    HO6  MAN 101           HO6      MAN 101   5.826  -7.867   2.086
  Start of MODEL   20
    1    H1   THR   1           H1       THR   1  -3.779 -12.147  -1.905
    2    H2   THR   1           H2       THR   1  -2.899 -11.760  -3.260
    3    H3   THR   1           H3       THR   1  -4.477 -12.365  -3.423
    4    HA   THR   1           HA       THR   1  -4.433  -9.986  -3.760
    5    HB   THR   1           HB       THR   1  -5.958  -9.371  -1.750
    6    HG1  THR   1           HG1      THR   1  -5.267 -10.888  -0.228
    7   HG21  THR   1          HG21      THR   1  -6.832 -10.104  -3.921
    8   HG22  THR   1          HG22      THR   1  -7.787 -10.790  -2.606
    9   HG23  THR   1          HG23      THR   1  -6.603 -11.787  -3.450
   10    H    ALA   2           H        ALA   2  -4.499  -7.890  -2.140
   11    HA   ALA   2           HA       ALA   2  -1.771  -7.612  -1.308
   12    HB1  ALA   2           HB1      ALA   2  -2.295  -5.279  -0.916
   13    HB2  ALA   2           HB2      ALA   2  -4.013  -5.588  -1.078
   14    HB3  ALA   2           HB3      ALA   2  -2.950  -5.767  -2.475
   15    H    SER   3           H        SER   3  -1.024  -7.275   0.672
   16    HA   SER   3           HA       SER   3  -2.441  -8.692   2.722
   17    HB2  SER   3           HB2      SER   3  -0.178  -8.377   3.843
   18    HB3  SER   3           HB3      SER   3  -0.234  -9.363   2.378
   19    H    HIS   4           H        HIS   4  -2.628  -7.974   4.852
   20    HA   HIS   4           HA       HIS   4  -3.562  -5.282   5.101
   21    HB2  HIS   4           HB2      HIS   4  -4.512  -7.359   6.269
   22    HB3  HIS   4           HB3      HIS   4  -3.123  -7.278   7.333
   23    HD1  HIS   4           HD1      HIS   4  -4.663  -6.803   9.405
   24    HD2  HIS   4           HD2      HIS   4  -4.918  -3.979   6.390
   25    HE1  HIS   4           HE1      HIS   4  -6.121  -4.981  10.306
   26    HE2  HIS   4           HE2      HIS   4  -6.566  -3.574   8.244
   27    H    TYR   5           H        TYR   5  -2.429  -3.584   5.760
   28    HA   TYR   5           HA       TYR   5  -0.857  -2.267   6.542
   29    HB2  TYR   5           HB2      TYR   5   0.142  -4.696   8.034
   30    HB3  TYR   5           HB3      TYR   5   0.993  -3.155   8.087
   31    HD1  TYR   5           HD1      TYR   5  -1.971  -4.995   9.185
   32    HD2  TYR   5           HD2      TYR   5   0.004  -1.232   9.192
   33    HE1  TYR   5           HE1      TYR   5  -3.444  -4.220  10.996
   34    HE2  TYR   5           HE2      TYR   5  -1.457  -0.457  11.003
   35    HH   TYR   5           HH       TYR   5  -3.341  -2.523  12.815
   36    H    GLY   6           H        GLY   6  -0.529  -4.438   4.314
   37    HA2  GLY   6           HA2      GLY   6   2.250  -3.918   3.683
   38    HA3  GLY   6           HA3      GLY   6   1.131  -4.988   2.831
   39    H    GLN   7           H        GLN   7   2.592  -3.288   1.359
   40    HA   GLN   7           HA       GLN   7   1.128  -0.883   0.845
   41    HB2  GLN   7           HB2      GLN   7   3.586  -1.110   0.505
   42    HB3  GLN   7           HB3      GLN   7   3.288  -2.266  -0.777
   43    HG2  GLN   7           HG2      GLN   7   2.142  -0.510  -2.055
   44    HG3  GLN   7           HG3      GLN   7   2.497   0.641  -0.761
   45   HE21  GLN   7          HE21      GLN   7   3.802   1.973  -2.114
   46   HE22  GLN   7          HE22      GLN   7   5.315   1.440  -2.647
   47    H    CYS   8           H        CYS   8  -0.575  -0.734  -0.474
   48    HA   CYS   8           HA       CYS   8  -1.356  -3.169  -1.965
   49    HB2  CYS   8           HB2      CYS   8  -3.664  -2.373  -1.607
   50    HB3  CYS   8           HB3      CYS   8  -2.763  -2.757  -0.134
   51    H    GLY   9           H        GLY   9  -0.150  -0.218  -2.652
   52    HA2  GLY   9           HA2      GLY   9  -0.620  -0.200  -5.345
   53    HA3  GLY   9           HA3      GLY   9  -2.090   0.475  -4.657
   54    H    GLY  10           H        GLY  10   1.376   0.882  -4.260
   55    HA2  GLY  10           HA2      GLY  10   0.865   3.766  -4.155
   56    HA3  GLY  10           HA3      GLY  10   2.288   2.966  -3.491
   57    H    ILE  11           H        ILE  11   2.450   5.099  -5.353
   58    HA   ILE  11           HA       ILE  11   2.835   4.180  -7.964
   59    HB   ILE  11           HB       ILE  11   4.285   6.461  -6.560
   60   HG12  ILE  11          HG12      ILE  11   1.798   6.494  -8.300
   61   HG13  ILE  11          HG13      ILE  11   1.826   6.701  -6.556
   62   HG21  ILE  11          HG21      ILE  11   4.719   7.332  -8.822
   63   HG22  ILE  11          HG22      ILE  11   3.944   5.910  -9.515
   64   HG23  ILE  11          HG23      ILE  11   5.444   5.735  -8.607
   65   HD11  ILE  11          HD11      ILE  11   1.580   8.832  -7.697
   66   HD12  ILE  11          HD12      ILE  11   3.082   8.545  -8.574
   67   HD13  ILE  11          HD13      ILE  11   3.112   8.761  -6.823
   68    H    GLY  12           H        GLY  12   4.223   2.786  -8.715
   69    HA2  GLY  12           HA2      GLY  12   6.524   2.122  -9.081
   70    HA3  GLY  12           HA3      GLY  12   6.837   2.473  -7.384
   71    H    TYR  13           H        TYR  13   4.144   1.195  -6.819
   72    HA   TYR  13           HA       TYR  13   5.233  -1.428  -6.311
   73    HB2  TYR  13           HB2      TYR  13   3.997  -0.286  -4.550
   74    HB3  TYR  13           HB3      TYR  13   2.589  -0.159  -5.585
   75    HD1  TYR  13           HD1      TYR  13   4.830  -2.789  -4.113
   76    HD2  TYR  13           HD2      TYR  13   0.898  -1.677  -5.281
   77    HE1  TYR  13           HE1      TYR  13   3.959  -4.873  -3.141
   78    HE2  TYR  13           HE2      TYR  13   0.024  -3.753  -4.334
   79    HH   TYR  13           HH       TYR  13   0.621  -5.801  -3.629
   80    H    SER  14           H        SER  14   5.079  -3.014  -7.690
   81    HA   SER  14           HA       SER  14   3.055  -2.971  -9.779
   82    HB2  SER  14           HB2      SER  14   4.623  -4.746 -10.718
   83    HB3  SER  14           HB3      SER  14   5.234  -3.092 -10.661
   84    HG   SER  14           HG       SER  14   6.539  -5.016  -9.785
   85    H    GLY  15           H        GLY  15   3.377  -4.249  -6.790
   86    HA2  GLY  15           HA2      GLY  15   2.692  -6.982  -7.343
   87    HA3  GLY  15           HA3      GLY  15   2.742  -6.232  -5.754
   88    HA   PRO  16           HA       PRO  16  -1.698  -7.426  -6.827
   89    HB2  PRO  16           HB2      PRO  16  -2.042  -8.090  -4.133
   90    HB3  PRO  16           HB3      PRO  16  -1.649  -9.233  -5.427
   91    HG2  PRO  16           HG2      PRO  16   0.228  -7.790  -3.567
   92    HG3  PRO  16           HG3      PRO  16   0.204  -9.525  -3.988
   93    HD2  PRO  16           HD2      PRO  16   1.931  -7.958  -5.103
   94    HD3  PRO  16           HD3      PRO  16   0.995  -9.049  -6.154
   95    H    THR  17           H        THR  17  -3.071  -5.710  -6.817
   96    HA   THR  17           HA       THR  17  -2.767  -3.713  -4.714
   97    HB   THR  17           HB       THR  17  -4.106  -2.256  -6.266
   98    HG1  THR  17           HG1      THR  17  -5.018  -3.276  -7.825
   99   HG21  THR  17          HG21      THR  17  -1.670  -2.078  -6.158
  100   HG22  THR  17          HG22      THR  17  -2.220  -1.846  -7.818
  101   HG23  THR  17          HG23      THR  17  -1.508  -3.384  -7.329
  102    H    VAL  18           H        VAL  18  -4.870  -6.151  -5.836
  103    HA   VAL  18           HA       VAL  18  -7.282  -5.077  -4.685
  104    HB   VAL  18           HB       VAL  18  -6.638  -7.906  -5.602
  105   HG11  VAL  18          HG11      VAL  18  -9.072  -8.249  -5.648
  106   HG12  VAL  18          HG12      VAL  18  -9.294  -6.640  -4.957
  107   HG13  VAL  18          HG13      VAL  18  -8.483  -7.893  -4.022
  108   HG21  VAL  18          HG21      VAL  18  -6.511  -6.307  -7.440
  109   HG22  VAL  18          HG22      VAL  18  -8.112  -5.694  -7.026
  110   HG23  VAL  18          HG23      VAL  18  -7.928  -7.346  -7.611
  111    H    CYS  19           H        CYS  19  -7.461  -4.949  -2.557
  112    HA   CYS  19           HA       CYS  19  -5.787  -6.309  -0.742
  113    HB2  CYS  19           HB2      CYS  19  -8.233  -4.624  -0.350
  114    HB3  CYS  19           HB3      CYS  19  -7.430  -5.444   0.987
  115    H    ALA  20           H        ALA  20  -6.453  -7.529   1.086
  116    HA   ALA  20           HA       ALA  20  -7.782  -9.917   0.310
  117    HB1  ALA  20           HB1      ALA  20  -5.818  -9.939   1.749
  118    HB2  ALA  20           HB2      ALA  20  -7.206 -10.620   2.608
  119    HB3  ALA  20           HB3      ALA  20  -6.670  -8.978   2.955
  120    H    SER  21           H        SER  21  -9.386 -10.850   1.960
  121    HA   SER  21           HA       SER  21 -11.710  -9.277   1.967
  122    HB2  SER  21           HB2      SER  21 -11.133 -11.772   3.566
  123    HB3  SER  21           HB3      SER  21 -12.707 -11.187   3.026
  124    HG   SER  21           HG       SER  21 -12.400 -12.147   1.205
  125    H    GLY  22           H        GLY  22 -12.190  -7.680   3.362
  126    HA2  GLY  22           HA2      GLY  22 -12.666  -6.860   5.495
  127    HA3  GLY  22           HA3      GLY  22 -11.556  -8.042   6.173
  128    H    THR  23           H        THR  23 -10.436  -6.208   3.482
  129    HA   THR  23           HA       THR  23  -9.146  -4.294   5.257
  130    HB   THR  23           HB       THR  23  -6.967  -4.630   4.055
  131    HG1  THR  23           HG1      THR  23  -8.479  -6.605   2.781
  132   HG21  THR  23          HG21      THR  23  -7.984  -7.069   5.521
  133   HG22  THR  23          HG22      THR  23  -7.282  -5.629   6.264
  134   HG23  THR  23          HG23      THR  23  -6.289  -6.668   5.249
  135    H    THR  24           H        THR  24  -8.541  -2.311   4.207
  136    HA   THR  24           HA       THR  24  -9.557  -2.038   1.473
  137    HB   THR  24           HB       THR  24 -10.226   0.337   2.150
  138    HG1  THR  24           HG1      THR  24  -9.419  -0.641   4.624
  139   HG21  THR  24          HG21      THR  24 -12.414  -0.368   3.026
  140   HG22  THR  24          HG22      THR  24 -11.746  -1.963   3.380
  141   HG23  THR  24          HG23      THR  24 -11.879  -1.416   1.711
  142    H    CYS  25           H        CYS  25  -8.234  -0.971   0.075
  143    HA   CYS  25           HA       CYS  25  -5.594  -0.360   0.957
  144    HB2  CYS  25           HB2      CYS  25  -6.104  -1.307  -1.305
  145    HB3  CYS  25           HB3      CYS  25  -6.856   0.234  -1.724
  146    H    GLN  26           H        GLN  26  -4.955   1.499   1.848
  147    HA   GLN  26           HA       GLN  26  -6.530   3.854   1.238
  148    HB2  GLN  26           HB2      GLN  26  -5.205   2.966   3.780
  149    HB3  GLN  26           HB3      GLN  26  -5.855   4.578   3.554
  150    HG2  GLN  26           HG2      GLN  26  -8.074   3.642   3.173
  151    HG3  GLN  26           HG3      GLN  26  -7.426   2.014   3.323
  152   HE21  GLN  26          HE21      GLN  26  -8.792   1.507   4.978
  153   HE22  GLN  26          HE22      GLN  26  -8.609   2.125   6.570
  154    H    VAL  27           H        VAL  27  -5.480   5.312   0.172
  155    HA   VAL  27           HA       VAL  27  -2.650   5.210  -0.184
  156    HB   VAL  27           HB       VAL  27  -4.675   7.300  -1.081
  157   HG11  VAL  27          HG11      VAL  27  -1.788   6.969  -1.903
  158   HG12  VAL  27          HG12      VAL  27  -2.420   8.254  -0.884
  159   HG13  VAL  27          HG13      VAL  27  -2.926   8.142  -2.574
  160   HG21  VAL  27          HG21      VAL  27  -3.300   5.101  -2.612
  161   HG22  VAL  27          HG22      VAL  27  -4.388   6.301  -3.297
  162   HG23  VAL  27          HG23      VAL  27  -5.000   5.114  -2.138
  163    H    LEU  28           H        LEU  28  -1.544   5.638   1.576
  164    HA   LEU  28           HA       LEU  28  -2.286   7.720   3.414
  165    HB2  LEU  28           HB2      LEU  28   0.277   6.128   3.232
  166    HB3  LEU  28           HB3      LEU  28  -0.208   7.131   4.584
  167    HG   LEU  28           HG       LEU  28  -1.496   4.543   3.705
  168   HD11  LEU  28          HD11      LEU  28   0.070   5.281   6.158
  169   HD12  LEU  28          HD12      LEU  28   0.605   4.252   4.828
  170   HD13  LEU  28          HD13      LEU  28  -0.720   3.731   5.868
  171   HD21  LEU  28          HD21      LEU  28  -2.187   6.374   5.972
  172   HD22  LEU  28          HD22      LEU  28  -2.830   4.750   5.719
  173   HD23  LEU  28          HD23      LEU  28  -3.198   6.038   4.554
  174    H    ASN  29           H        ASN  29   0.191   7.102   1.020
  175    HA   ASN  29           HA       ASN  29   0.665   9.939   0.641
  176    HB2  ASN  29           HB2      ASN  29   2.792   7.815   1.178
  177    HB3  ASN  29           HB3      ASN  29   3.123   9.397   0.486
  178   HD21  ASN  29          HD21      ASN  29   4.069   8.123   2.978
  179   HD22  ASN  29          HD22      ASN  29   3.652   9.230   4.217
  180    HA   PRO  30           HA       PRO  30   0.544   8.662  -3.585
  181    HB2  PRO  30           HB2      PRO  30   3.078   9.473  -4.550
  182    HB3  PRO  30           HB3      PRO  30   1.529  10.265  -4.788
  183    HG2  PRO  30           HG2      PRO  30   3.678  11.140  -3.178
  184    HG3  PRO  30           HG3      PRO  30   2.072  11.869  -3.310
  185    HD2  PRO  30           HD2      PRO  30   3.238  10.357  -1.163
  186    HD3  PRO  30           HD3      PRO  30   1.692  11.215  -1.172
  187    H    TYR  31           H        TYR  31   3.840   7.976  -2.321
  188    HA   TYR  31           HA       TYR  31   3.882   5.705  -4.122
  189    HB2  TYR  31           HB2      TYR  31   5.966   6.554  -2.092
  190    HB3  TYR  31           HB3      TYR  31   6.144   5.295  -3.297
  191    HD1  TYR  31           HD1      TYR  31   6.290   8.846  -2.636
  192    HD2  TYR  31           HD2      TYR  31   6.285   5.911  -5.702
  193    HE1  TYR  31           HE1      TYR  31   7.191  10.490  -4.192
  194    HE2  TYR  31           HE2      TYR  31   7.187   7.562  -7.284
  195    HH   TYR  31           HH       TYR  31   7.276   9.986  -7.538
  196    H    TYR  32           H        TYR  32   3.312   6.439  -0.763
  197    HA   TYR  32           HA       TYR  32   3.288   3.567  -0.292
  198    HB2  TYR  32           HB2      TYR  32   4.701   4.923   1.228
  199    HB3  TYR  32           HB3      TYR  32   3.238   5.694   1.836
  200    HD1  TYR  32           HD1      TYR  32   2.304   4.802   3.765
  201    HD2  TYR  32           HD2      TYR  32   4.564   2.272   1.205
  202    HE1  TYR  32           HE1      TYR  32   2.011   2.953   5.342
  203    HE2  TYR  32           HE2      TYR  32   4.285   0.411   2.768
  204    HH   TYR  32           HH       TYR  32   2.109   0.639   5.451
  205    H    SER  33           H        SER  33   1.475   2.634  -0.513
  206    HA   SER  33           HA       SER  33  -0.886   3.867   0.694
  207    HB2  SER  33           HB2      SER  33  -0.843   2.163  -1.837
  208    HB3  SER  33           HB3      SER  33  -2.250   2.930  -1.108
  209    HG   SER  33           HG       SER  33  -0.523   4.866  -1.422
  210    H    GLN  34           H        GLN  34  -1.764   2.574   2.216
  211    HA   GLN  34           HA       GLN  34  -0.660  -0.131   2.420
  212    HB2  GLN  34           HB2      GLN  34   0.390   1.178   4.112
  213    HB3  GLN  34           HB3      GLN  34  -1.122   1.954   4.543
  214    HG2  GLN  34           HG2      GLN  34  -1.946  -0.105   5.507
  215    HG3  GLN  34           HG3      GLN  34  -0.497  -0.950   4.966
  216   HE21  GLN  34          HE21      GLN  34   1.340  -0.846   6.192
  217   HE22  GLN  34          HE22      GLN  34   1.416  -0.004   7.688
  218    H    CYS  35           H        CYS  35  -2.046  -1.727   2.951
  219    HA   CYS  35           HA       CYS  35  -4.844  -1.031   2.706
  220    HB2  CYS  35           HB2      CYS  35  -3.764  -2.966   1.464
  221    HB3  CYS  35           HB3      CYS  35  -3.721  -3.815   3.003
  222    H    LEU  36           H        LEU  36  -6.149  -0.841   4.333
  223    HA   LEU  36           HA       LEU  36  -5.381  -1.901   6.936
  224    HB2  LEU  36           HB2      LEU  36  -6.517   0.810   6.268
  225    HB3  LEU  36           HB3      LEU  36  -6.376   0.172   7.895
  226    HG   LEU  36           HG       LEU  36  -4.019   0.626   6.061
  227   HD11  LEU  36          HD11      LEU  36  -3.541   2.574   7.451
  228   HD12  LEU  36          HD12      LEU  36  -5.056   2.320   8.321
  229   HD13  LEU  36          HD13      LEU  36  -5.079   2.746   6.606
  230   HD21  LEU  36          HD21      LEU  36  -2.729   0.370   8.126
  231   HD22  LEU  36          HD22      LEU  36  -3.653  -1.081   7.756
  232   HD23  LEU  36          HD23      LEU  36  -4.213   0.023   9.009
  233    H1   MAN 101           H1       MAN 101   2.233  -8.208   3.102
  234    H2   MAN 101           H2       MAN 101   2.521  -5.955   1.751
  235    H3   MAN 101           H3       MAN 101   2.924  -6.045  -0.507
  236    H4   MAN 101           H4       MAN 101   1.799  -7.909  -1.739
  237    H5   MAN 101           H5       MAN 101   0.292  -9.255   0.121
  238    H61  MAN 101           H61      MAN 101   3.005 -10.160  -0.919
  239    H62  MAN 101           H62      MAN 101   1.458 -10.323  -1.775
  240    HO2  MAN 101           HO2      MAN 101   4.716  -6.527   1.603
  241    HO3  MAN 101           HO3      MAN 101   4.025  -8.608  -0.045
  242    HO4  MAN 101           HO4      MAN 101   0.679  -6.085  -1.001
  243    HO6  MAN 101           HO6      MAN 101   0.848 -11.888  -0.500