<PRE>
*HEADER    CELL ADHESION                           05-APR-11   2LBO              
*TITLE     EIMERIA TENELLA MICRONEME PROTEIN 3 MAR_B DOMAIN                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MICRONEME PROTEIN 3;                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: MAR_B DOMAIN, UNP RESIDUES 152-274;                        
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: EIMERIA TENELLA;                                
*SOURCE   3 ORGANISM_COMMON: COCCIDIAN PARASITE;                                 
*SOURCE   4 ORGANISM_TAXID: 5802;                                                
*SOURCE   5 GENE: MIC3;                                                          
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: ORIGAMI DE3;                               
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE  10 EXPRESSION_SYSTEM_VECTOR: PET32B                                     
*KEYWDS    APICOMPLEXAN, EIMERIA TENELLA, PROTOZOA, CELL ADHESION, MICRONEME,    
*KEYWDS   2 MICRONEME ADHESIVE REPEAT                                            
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    L.LAI, J.GARNETT, P.SIMPSON, S.MATTHEWS                               
*REVDAT   1   16-NOV-11 2LBO    0                                                


 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++++++++++++++++++++++++++++++ CLASS DIST +++++++++++++++++++++++++++++++++++
 for this class: SCALe=  50.000 AVERage=sum    POTEntial=soft-square
                 SQCOnstant=   1.000 SQEXponent=    2 SQOFfsets(+/-)=   0.000   0.000
                 SOEXponent=    1 RSWItch=   1.000 ASYMptote=   2.000
 
 ========== spectrum     1 restraint    23 ==========
 set-i-atoms
               6    GLU  HG1 
 set-j-atoms
               6    GLU  HB1 
 R<average>=   2.949 NOE= 2.08 (- 0.54/+ 0.54) Delta=  -0.323  E(NOE)=   5.213
 ========== spectrum     1 restraint   468 ==========
 set-i-atoms
               82   PRO  HB2 
 set-j-atoms
               82   PRO  HA  
 R<average>=   2.767 NOE= 1.97 (- 0.49/+ 0.49) Delta=  -0.310  E(NOE)=   4.800
 ========== spectrum     1 restraint   489 ==========
 set-i-atoms
               26   SER  HB2 
 set-j-atoms
               26   SER  HA  
 R<average>=   2.932 NOE= 1.89 (- 0.45/+ 0.45) Delta=  -0.600  E(NOE)=  18.008
 ========== spectrum     1 restraint   623 ==========
 set-i-atoms
               7    ALA  HA  
 set-j-atoms
               10   ARG  HB1 
 R<average>=   3.517 NOE= 2.46 (- 0.75/+ 0.75) Delta=  -0.306  E(NOE)=   4.689
 ========== spectrum     1 restraint   761 ==========
 set-i-atoms
               10   ARG  HB1 
 set-j-atoms
               10   ARG  HD2 
 R<average>=   3.526 NOE= 2.43 (- 0.74/+ 0.74) Delta=  -0.356  E(NOE)=   6.336
 ========== spectrum     1 restraint  1033 ==========
 set-i-atoms
               17   LYS  HD2 
 set-j-atoms
               52   ILE  HD12
 set-i-atoms
               17   LYS  HD2 
 set-j-atoms
               52   ILE  HD11
 set-i-atoms
               17   LYS  HD2 
 set-j-atoms
               52   ILE  HD13
 set-i-atoms
               17   LYS  HD1 
 set-j-atoms
               52   ILE  HD12
 set-i-atoms
               17   LYS  HD1 
 set-j-atoms
               52   ILE  HD11
 set-i-atoms
               17   LYS  HD1 
 set-j-atoms
               52   ILE  HD13
 R<average>=   4.677 NOE= 3.12 (- 1.21/+ 1.21) Delta=  -0.349  E(NOE)=   6.091
 ========== spectrum     1 restraint  1052 ==========
 set-i-atoms
               72   MET  HG2 
 set-j-atoms
               72   MET  HA  
 R<average>=   3.507 NOE= 2.38 (- 0.71/+ 0.71) Delta=  -0.424  E(NOE)=   8.968
 ========== spectrum     1 restraint  1258 ==========
 set-i-atoms
               11   LYS  HN  
 set-j-atoms
               10   ARG  HD2 
 R<average>=   5.924 NOE= 3.79 (- 1.79/+ 1.79) Delta=  -0.344  E(NOE)=   5.919

 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++++++++++++++++++++++++++++++ CLASS AMBI +++++++++++++++++++++++++++++++++++
 for this class: SCALe=  50.000 AVERage=sum    POTEntial=soft-square
                 SQCOnstant=   1.000 SQEXponent=    2 SQOFfsets(+/-)=   0.000   0.000
                 SOEXponent=    1 RSWItch=   1.000 ASYMptote=   2.000
 
 ========== spectrum     1 restraint  2090 ==========
 set-i-atoms
               4    LEU  HD12
 set-j-atoms
               97   ILE  HB  
 set-i-atoms
               4    LEU  HD11
 set-j-atoms
               97   ILE  HB  
 set-i-atoms
               4    LEU  HD13
 set-j-atoms
               97   ILE  HB  
 set-i-atoms
               4    LEU  HD12
 set-j-atoms
               101  LYS  HB2 
 set-i-atoms
               4    LEU  HD11
 set-j-atoms
               101  LYS  HB2 
 set-i-atoms
               4    LEU  HD13
 set-j-atoms
               101  LYS  HB2 
 R<average>=   3.500 NOE= 2.43 (- 0.74/+ 0.74) Delta=  -0.337  E(NOE)=   5.690
 ========== spectrum     1 restraint  2458 ==========
 set-i-atoms
               38   LYS  HN  
 set-j-atoms
               38   LYS  HD2 
 set-i-atoms
               38   LYS  HN  
 set-j-atoms
               38   LYS  HD1 
 set-i-atoms
               38   LYS  HN  
 set-j-atoms
               46   LYS  HD2 
 R<average>=   4.309 NOE= 2.83 (- 1.00/+ 1.00) Delta=  -0.469  E(NOE)=  10.997
 ========== spectrum     1 restraint  2629 ==========
 set-i-atoms
               48   TRP  HE1 
 set-j-atoms
               4    LEU  HD22
 set-i-atoms
               48   TRP  HE1 
 set-j-atoms
               4    LEU  HD21
 set-i-atoms
               48   TRP  HE1 
 set-j-atoms
               4    LEU  HD23
 set-i-atoms
               48   TRP  HE1 
 set-j-atoms
               8    LEU  HD22
 set-i-atoms
               48   TRP  HE1 
 set-j-atoms
               8    LEU  HD21
 set-i-atoms
               48   TRP  HE1 
 set-j-atoms
               8    LEU  HD23
 R<average>=   5.105 NOE= 3.37 (- 1.42/+ 1.42) Delta=  -0.308  E(NOE)=   4.729

 NOEPRI: RMS diff. =   0.051,  #(violat.> 0.3)=    11 of   2708 NOEs
 NOEPRI: RMS diff. class DIST =   0.051,  #(viol.> 0.3)=     8 of   1995 NOEs
 NOEPRI: RMS diff. class AMBI =   0.051,  #(viol.> 0.3)=     3 of    713 NOEs

 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++++++++++++++++++++++++++++++ CLASS DIST +++++++++++++++++++++++++++++++++++
 for this class: SCALe=  50.000 AVERage=sum    POTEntial=soft-square
                 SQCOnstant=   1.000 SQEXponent=    2 SQOFfsets(+/-)=   0.000   0.000
                 SOEXponent=    1 RSWItch=   1.000 ASYMptote=   2.000
 
 ========== spectrum     1 restraint   552 ==========
 set-i-atoms
               5    GLN  HA  
 set-j-atoms
               5    GLN  HG2 
 R<average>=   3.789 NOE= 2.61 (- 0.85/+ 0.85) Delta=  -0.331  E(NOE)=   5.493
 ========== spectrum     1 restraint   618 ==========
 set-i-atoms
               108  LYS  HD1 
 set-j-atoms
               110  GLU  HA  
 set-i-atoms
               108  LYS  HD2 
 set-j-atoms
               110  GLU  HA  
 R<average>=   2.487 NOE= 1.78 (- 0.40/+ 0.40) Delta=  -0.312  E(NOE)=   4.854
 ========== spectrum     1 restraint   620 ==========
 set-i-atoms
               44   GLN  HB2 
 set-j-atoms
               44   GLN  HA  
 R<average>=   2.969 NOE= 1.92 (- 0.46/+ 0.46) Delta=  -0.588  E(NOE)=  17.278
 ========== spectrum     1 restraint  1052 ==========
 set-i-atoms
               72   MET  HG1 
 set-j-atoms
               72   MET  HA  
 R<average>=   3.581 NOE= 2.38 (- 0.71/+ 0.71) Delta=  -0.498  E(NOE)=  12.422

 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++++++++++++++++++++++++++++++ CLASS AMBI +++++++++++++++++++++++++++++++++++
 for this class: SCALe=  50.000 AVERage=sum    POTEntial=soft-square
                 SQCOnstant=   1.000 SQEXponent=    2 SQOFfsets(+/-)=   0.000   0.000
                 SOEXponent=    1 RSWItch=   1.000 ASYMptote=   2.000
 
 ========== spectrum     1 restraint  2090 ==========
 set-i-atoms
               4    LEU  HD12
 set-j-atoms
               97   ILE  HB  
 set-i-atoms
               4    LEU  HD11
 set-j-atoms
               97   ILE  HB  
 set-i-atoms
               4    LEU  HD13
 set-j-atoms
               97   ILE  HB  
 set-i-atoms
               4    LEU  HD12
 set-j-atoms
               101  LYS  HB2 
 set-i-atoms
               4    LEU  HD11
 set-j-atoms
               101  LYS  HB2 
 set-i-atoms
               4    LEU  HD13
 set-j-atoms
               101  LYS  HB2 
 R<average>=   3.469 NOE= 2.43 (- 0.74/+ 0.74) Delta=  -0.306  E(NOE)=   4.682
 ========== spectrum     1 restraint  2258 ==========
 set-i-atoms
               100  ASP  HB2 
 set-j-atoms
               104  TYR  HD1 
 set-i-atoms
               100  ASP  HB2 
 set-j-atoms
               104  TYR  HD2 
 set-i-atoms
               98   ASP  HB2 
 set-j-atoms
               97   ILE  HN  
 set-i-atoms
               98   ASP  HB1 
 set-j-atoms
               97   ILE  HN  
 R<average>=   3.755 NOE= 2.60 (- 0.85/+ 0.85) Delta=  -0.302  E(NOE)=   4.567

 NOEPRI: RMS diff. =   0.050,  #(violat.> 0.3)=     6 of   2708 NOEs
 NOEPRI: RMS diff. class DIST =   0.050,  #(viol.> 0.3)=     4 of   1995 NOEs
 NOEPRI: RMS diff. class AMBI =   0.051,  #(viol.> 0.3)=     2 of    713 NOEs

 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++++++++++++++++++++++++++++++ CLASS DIST +++++++++++++++++++++++++++++++++++
 for this class: SCALe=  50.000 AVERage=sum    POTEntial=soft-square
                 SQCOnstant=   1.000 SQEXponent=    2 SQOFfsets(+/-)=   0.000   0.000
                 SOEXponent=    1 RSWItch=   1.000 ASYMptote=   2.000
 
 ========== spectrum     1 restraint    23 ==========
 set-i-atoms
               6    GLU  HG1 
 set-j-atoms
               6    GLU  HB1 
 R<average>=   2.957 NOE= 2.08 (- 0.54/+ 0.54) Delta=  -0.331  E(NOE)=   5.467
 ========== spectrum     1 restraint   468 ==========
 set-i-atoms
               82   PRO  HB2 
 set-j-atoms
               82   PRO  HA  
 R<average>=   2.771 NOE= 1.97 (- 0.49/+ 0.49) Delta=  -0.314  E(NOE)=   4.935
 ========== spectrum     1 restraint  1033 ==========
 set-i-atoms
               17   LYS  HD2 
 set-j-atoms
               52   ILE  HD12
 set-i-atoms
               17   LYS  HD2 
 set-j-atoms
               52   ILE  HD11
 set-i-atoms
               17   LYS  HD2 
 set-j-atoms
               52   ILE  HD13
 set-i-atoms
               17   LYS  HD1 
 set-j-atoms
               52   ILE  HD12
 set-i-atoms
               17   LYS  HD1 
 set-j-atoms
               52   ILE  HD11
 set-i-atoms
               17   LYS  HD1 
 set-j-atoms
               52   ILE  HD13
 R<average>=   4.648 NOE= 3.12 (- 1.21/+ 1.21) Delta=  -0.320  E(NOE)=   5.121
 ========== spectrum     1 restraint  1397 ==========
 set-i-atoms
               100  ASP  HN  
 set-j-atoms
               100  ASP  HB1 
 R<average>=   3.380 NOE= 2.35 (- 0.69/+ 0.69) Delta=  -0.338  E(NOE)=   5.715

 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++++++++++++++++++++++++++++++ CLASS AMBI +++++++++++++++++++++++++++++++++++
 for this class: SCALe=  50.000 AVERage=sum    POTEntial=soft-square
                 SQCOnstant=   1.000 SQEXponent=    2 SQOFfsets(+/-)=   0.000   0.000
                 SOEXponent=    1 RSWItch=   1.000 ASYMptote=   2.000
 
 ========== spectrum     1 restraint  2090 ==========
 set-i-atoms
               4    LEU  HD12
 set-j-atoms
               97   ILE  HB  
 set-i-atoms
               4    LEU  HD11
 set-j-atoms
               97   ILE  HB  
 set-i-atoms
               4    LEU  HD13
 set-j-atoms
               97   ILE  HB  
 set-i-atoms
               4    LEU  HD12
 set-j-atoms
               101  LYS  HB2 
 set-i-atoms
               4    LEU  HD11
 set-j-atoms
               101  LYS  HB2 
 set-i-atoms
               4    LEU  HD13
 set-j-atoms
               101  LYS  HB2 
 R<average>=   3.590 NOE= 2.43 (- 0.74/+ 0.74) Delta=  -0.427  E(NOE)=   9.123
 ========== spectrum     1 restraint  2598 ==========
 set-i-atoms
               99   SER  HN  
 set-j-atoms
               101  LYS  HD2 
 set-i-atoms
               102  SER  HN  
 set-j-atoms
               101  LYS  HG1 
 set-i-atoms
               102  SER  HN  
 set-j-atoms
               101  LYS  HD2 
 R<average>=   4.456 NOE= 2.97 (- 1.10/+ 1.10) Delta=  -0.380  E(NOE)=   7.220

 NOEPRI: RMS diff. =   0.047,  #(violat.> 0.3)=     6 of   2708 NOEs
 NOEPRI: RMS diff. class DIST =   0.045,  #(viol.> 0.3)=     4 of   1995 NOEs
 NOEPRI: RMS diff. class AMBI =   0.050,  #(viol.> 0.3)=     2 of    713 NOEs

 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++++++++++++++++++++++++++++++ CLASS DIST +++++++++++++++++++++++++++++++++++
 for this class: SCALe=  50.000 AVERage=sum    POTEntial=soft-square
                 SQCOnstant=   1.000 SQEXponent=    2 SQOFfsets(+/-)=   0.000   0.000
                 SOEXponent=    1 RSWItch=   1.000 ASYMptote=   2.000
 
 ========== spectrum     1 restraint    23 ==========
 set-i-atoms
               6    GLU  HG1 
 set-j-atoms
               6    GLU  HB1 
 R<average>=   2.955 NOE= 2.08 (- 0.54/+ 0.54) Delta=  -0.329  E(NOE)=   5.426
 ========== spectrum     1 restraint   250 ==========
 set-i-atoms
               89   ARG  HG2 
 set-j-atoms
               89   ARG  HA  
 R<average>=   4.119 NOE= 2.80 (- 0.98/+ 0.98) Delta=  -0.332  E(NOE)=   5.511
 ========== spectrum     1 restraint   677 ==========
 set-i-atoms
               89   ARG  HA  
 set-j-atoms
               89   ARG  HD2 
 R<average>=   3.786 NOE= 2.18 (- 0.59/+ 0.59) Delta=  -1.009  E(NOE)=  50.879
 ========== spectrum     1 restraint  1033 ==========
 set-i-atoms
               17   LYS  HD2 
 set-j-atoms
               52   ILE  HD12
 set-i-atoms
               17   LYS  HD2 
 set-j-atoms
               52   ILE  HD11
 set-i-atoms
               17   LYS  HD2 
 set-j-atoms
               52   ILE  HD13
 set-i-atoms
               17   LYS  HD1 
 set-j-atoms
               52   ILE  HD12
 set-i-atoms
               17   LYS  HD1 
 set-j-atoms
               52   ILE  HD11
 set-i-atoms
               17   LYS  HD1 
 set-j-atoms
               52   ILE  HD13
 R<average>=   4.682 NOE= 3.12 (- 1.21/+ 1.21) Delta=  -0.354  E(NOE)=   6.262
 ========== spectrum     1 restraint  1052 ==========
 set-i-atoms
               72   MET  HG1 
 set-j-atoms
               72   MET  HA  
 R<average>=   3.530 NOE= 2.38 (- 0.71/+ 0.71) Delta=  -0.447  E(NOE)=  10.007
 ========== spectrum     1 restraint  1727 ==========
 set-i-atoms
               39   GLY  HN  
 set-j-atoms
               38   LYS  HB2 
 R<average>=   4.016 NOE= 2.75 (- 0.95/+ 0.95) Delta=  -0.314  E(NOE)=   4.926

 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++++++++++++++++++++++++++++++ CLASS AMBI +++++++++++++++++++++++++++++++++++
 for this class: SCALe=  50.000 AVERage=sum    POTEntial=soft-square
                 SQCOnstant=   1.000 SQEXponent=    2 SQOFfsets(+/-)=   0.000   0.000
                 SOEXponent=    1 RSWItch=   1.000 ASYMptote=   2.000
 
 ========== spectrum     1 restraint  2001 ==========
 set-i-atoms
               50   CYS  HB2 
 set-j-atoms
               32   ILE  HG22
 set-i-atoms
               50   CYS  HB2 
 set-j-atoms
               32   ILE  HG21
 set-i-atoms
               50   CYS  HB2 
 set-j-atoms
               32   ILE  HG23
 set-i-atoms
               50   CYS  HB2 
 set-j-atoms
               93   LEU  HD12
 set-i-atoms
               50   CYS  HB2 
 set-j-atoms
               93   LEU  HD11
 set-i-atoms
               50   CYS  HB2 
 set-j-atoms
               93   LEU  HD13
 set-i-atoms
               50   CYS  HB2 
 set-j-atoms
               93   LEU  HD22
 set-i-atoms
               50   CYS  HB2 
 set-j-atoms
               93   LEU  HD21
 set-i-atoms
               50   CYS  HB2 
 set-j-atoms
               93   LEU  HD23
 R<average>=   4.356 NOE= 2.95 (- 1.09/+ 1.09) Delta=  -0.320  E(NOE)=   5.123
 ========== spectrum     1 restraint  2090 ==========
 set-i-atoms
               4    LEU  HD12
 set-j-atoms
               97   ILE  HB  
 set-i-atoms
               4    LEU  HD11
 set-j-atoms
               97   ILE  HB  
 set-i-atoms
               4    LEU  HD13
 set-j-atoms
               97   ILE  HB  
 set-i-atoms
               4    LEU  HD12
 set-j-atoms
               101  LYS  HB2 
 set-i-atoms
               4    LEU  HD11
 set-j-atoms
               101  LYS  HB2 
 set-i-atoms
               4    LEU  HD13
 set-j-atoms
               101  LYS  HB2 
 R<average>=   3.581 NOE= 2.43 (- 0.74/+ 0.74) Delta=  -0.418  E(NOE)=   8.741
 ========== spectrum     1 restraint  2095 ==========
 set-i-atoms
               96   VAL  HG12
 set-j-atoms
               11   LYS  HA  
 set-i-atoms
               96   VAL  HG11
 set-j-atoms
               11   LYS  HA  
 set-i-atoms
               96   VAL  HG13
 set-j-atoms
               11   LYS  HA  
 set-i-atoms
               96   VAL  HG12
 set-j-atoms
               99   SER  HB1 
 set-i-atoms
               96   VAL  HG11
 set-j-atoms
               99   SER  HB1 
 set-i-atoms
               96   VAL  HG13
 set-j-atoms
               99   SER  HB1 
 R<average>=   3.803 NOE= 2.62 (- 0.85/+ 0.85) Delta=  -0.332  E(NOE)=   5.495
 ========== spectrum     1 restraint  2458 ==========
 set-i-atoms
               38   LYS  HN  
 set-j-atoms
               38   LYS  HD2 
 set-i-atoms
               38   LYS  HN  
 set-j-atoms
               38   LYS  HD1 
 set-i-atoms
               38   LYS  HN  
 set-j-atoms
               46   LYS  HD2 
 R<average>=   4.180 NOE= 2.83 (- 1.00/+ 1.00) Delta=  -0.340  E(NOE)=   5.782

 NOEPRI: RMS diff. =   0.055,  #(violat.> 0.3)=    10 of   2708 NOEs
 NOEPRI: RMS diff. class DIST =   0.054,  #(viol.> 0.3)=     6 of   1995 NOEs
 NOEPRI: RMS diff. class AMBI =   0.057,  #(viol.> 0.3)=     4 of    713 NOEs

 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++++++++++++++++++++++++++++++ CLASS DIST +++++++++++++++++++++++++++++++++++
 for this class: SCALe=  50.000 AVERage=sum    POTEntial=soft-square
                 SQCOnstant=   1.000 SQEXponent=    2 SQOFfsets(+/-)=   0.000   0.000
                 SOEXponent=    1 RSWItch=   1.000 ASYMptote=   2.000
 
 ========== spectrum     1 restraint   411 ==========
 set-i-atoms
               32   ILE  HD12
 set-j-atoms
               52   ILE  HG12
 set-i-atoms
               32   ILE  HD11
 set-j-atoms
               52   ILE  HG12
 set-i-atoms
               32   ILE  HD13
 set-j-atoms
               52   ILE  HG12
 R<average>=   3.387 NOE= 2.34 (- 0.68/+ 0.68) Delta=  -0.364  E(NOE)=   6.628
 ========== spectrum     1 restraint   652 ==========
 set-i-atoms
               47   GLU  HG1 
 set-j-atoms
               47   GLU  HA  
 R<average>=   3.072 NOE= 2.17 (- 0.59/+ 0.59) Delta=  -0.319  E(NOE)=   5.074
 ========== spectrum     1 restraint  1003 ==========
 set-i-atoms
               27   TYR  HD1 
 set-j-atoms
               19   SER  HA  
 set-i-atoms
               27   TYR  HD2 
 set-j-atoms
               19   SER  HA  
 R<average>=   4.533 NOE= 3.05 (- 1.16/+ 1.16) Delta=  -0.318  E(NOE)=   5.054
 ========== spectrum     1 restraint  1033 ==========
 set-i-atoms
               17   LYS  HD2 
 set-j-atoms
               52   ILE  HD12
 set-i-atoms
               17   LYS  HD2 
 set-j-atoms
               52   ILE  HD11
 set-i-atoms
               17   LYS  HD2 
 set-j-atoms
               52   ILE  HD13
 set-i-atoms
               17   LYS  HD1 
 set-j-atoms
               52   ILE  HD12
 set-i-atoms
               17   LYS  HD1 
 set-j-atoms
               52   ILE  HD11
 set-i-atoms
               17   LYS  HD1 
 set-j-atoms
               52   ILE  HD13
 R<average>=   4.675 NOE= 3.12 (- 1.21/+ 1.21) Delta=  -0.347  E(NOE)=   6.017
 ========== spectrum     1 restraint  1052 ==========
 set-i-atoms
               72   MET  HG1 
 set-j-atoms
               72   MET  HA  
 R<average>=   3.546 NOE= 2.38 (- 0.71/+ 0.71) Delta=  -0.463  E(NOE)=  10.698
 ========== spectrum     1 restraint  1397 ==========
 set-i-atoms
               100  ASP  HN  
 set-j-atoms
               100  ASP  HB1 
 R<average>=   3.387 NOE= 2.35 (- 0.69/+ 0.69) Delta=  -0.345  E(NOE)=   5.957

 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++++++++++++++++++++++++++++++ CLASS AMBI +++++++++++++++++++++++++++++++++++
 for this class: SCALe=  50.000 AVERage=sum    POTEntial=soft-square
                 SQCOnstant=   1.000 SQEXponent=    2 SQOFfsets(+/-)=   0.000   0.000
                 SOEXponent=    1 RSWItch=   1.000 ASYMptote=   2.000
 
 ========== spectrum     1 restraint  2029 ==========
 set-i-atoms
               55   GLU  HB2 
 set-j-atoms
               54   LYS  HB2 
 set-i-atoms
               55   GLU  HB2 
 set-j-atoms
               86   HIS  HB1 
 R<average>=   4.138 NOE= 2.82 (- 1.00/+ 1.00) Delta=  -0.319  E(NOE)=   5.097

 NOEPRI: RMS diff. =   0.049,  #(violat.> 0.3)=     7 of   2708 NOEs
 NOEPRI: RMS diff. class DIST =   0.049,  #(viol.> 0.3)=     6 of   1995 NOEs
 NOEPRI: RMS diff. class AMBI =   0.051,  #(viol.> 0.3)=     1 of    713 NOEs

 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++++++++++++++++++++++++++++++ CLASS DIST +++++++++++++++++++++++++++++++++++
 for this class: SCALe=  50.000 AVERage=sum    POTEntial=soft-square
                 SQCOnstant=   1.000 SQEXponent=    2 SQOFfsets(+/-)=   0.000   0.000
                 SOEXponent=    1 RSWItch=   1.000 ASYMptote=   2.000
 
 ========== spectrum     1 restraint   851 ==========
 set-i-atoms
               52   ILE  HB  
 set-j-atoms
               85   SER  HB2 
 R<average>=   5.161 NOE= 3.41 (- 1.45/+ 1.45) Delta=  -0.305  E(NOE)=   4.646

 NOEPRI: RMS diff. =   0.046,  #(violat.> 0.3)=     1 of   2708 NOEs
 NOEPRI: RMS diff. class DIST =   0.046,  #(viol.> 0.3)=     1 of   1995 NOEs
 NOEPRI: RMS diff. class AMBI =   0.048,  #(viol.> 0.3)=     0 of    713 NOEs

 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++++++++++++++++++++++++++++++ CLASS DIST +++++++++++++++++++++++++++++++++++
 for this class: SCALe=  50.000 AVERage=sum    POTEntial=soft-square
                 SQCOnstant=   1.000 SQEXponent=    2 SQOFfsets(+/-)=   0.000   0.000
                 SOEXponent=    1 RSWItch=   1.000 ASYMptote=   2.000
 
 ========== spectrum     1 restraint   489 ==========
 set-i-atoms
               26   SER  HB2 
 set-j-atoms
               26   SER  HA  
 R<average>=   2.953 NOE= 1.89 (- 0.45/+ 0.45) Delta=  -0.621  E(NOE)=  19.258

 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++++++++++++++++++++++++++++++ CLASS AMBI +++++++++++++++++++++++++++++++++++
 for this class: SCALe=  50.000 AVERage=sum    POTEntial=soft-square
                 SQCOnstant=   1.000 SQEXponent=    2 SQOFfsets(+/-)=   0.000   0.000
                 SOEXponent=    1 RSWItch=   1.000 ASYMptote=   2.000
 
 ========== spectrum     1 restraint  2090 ==========
 set-i-atoms
               4    LEU  HD12
 set-j-atoms
               97   ILE  HB  
 set-i-atoms
               4    LEU  HD11
 set-j-atoms
               97   ILE  HB  
 set-i-atoms
               4    LEU  HD13
 set-j-atoms
               97   ILE  HB  
 set-i-atoms
               4    LEU  HD12
 set-j-atoms
               101  LYS  HB2 
 set-i-atoms
               4    LEU  HD11
 set-j-atoms
               101  LYS  HB2 
 set-i-atoms
               4    LEU  HD13
 set-j-atoms
               101  LYS  HB2 
 R<average>=   3.467 NOE= 2.43 (- 0.74/+ 0.74) Delta=  -0.304  E(NOE)=   4.613

 NOEPRI: RMS diff. =   0.047,  #(violat.> 0.3)=     2 of   2708 NOEs
 NOEPRI: RMS diff. class DIST =   0.047,  #(viol.> 0.3)=     1 of   1995 NOEs
 NOEPRI: RMS diff. class AMBI =   0.049,  #(viol.> 0.3)=     1 of    713 NOEs

 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++++++++++++++++++++++++++++++ CLASS DIST +++++++++++++++++++++++++++++++++++
 for this class: SCALe=  50.000 AVERage=sum    POTEntial=soft-square
                 SQCOnstant=   1.000 SQEXponent=    2 SQOFfsets(+/-)=   0.000   0.000
                 SOEXponent=    1 RSWItch=   1.000 ASYMptote=   2.000
 
 ========== spectrum     1 restraint   270 ==========
 set-i-atoms
               17   LYS  HG2 
 set-j-atoms
               17   LYS  HE1 
 set-i-atoms
               17   LYS  HG2 
 set-j-atoms
               17   LYS  HE2 
 R<average>=   3.202 NOE= 2.23 (- 0.62/+ 0.62) Delta=  -0.357  E(NOE)=   6.375
 ========== spectrum     1 restraint   802 ==========
 set-i-atoms
               11   LYS  HA  
 set-j-atoms
               11   LYS  HE1 
 R<average>=   3.844 NOE= 2.66 (- 0.88/+ 0.88) Delta=  -0.301  E(NOE)=   4.529
 ========== spectrum     1 restraint   851 ==========
 set-i-atoms
               52   ILE  HB  
 set-j-atoms
               85   SER  HB2 
 R<average>=   5.183 NOE= 3.41 (- 1.45/+ 1.45) Delta=  -0.327  E(NOE)=   5.347
 ========== spectrum     1 restraint   864 ==========
 set-i-atoms
               86   HIS  HB2 
 set-j-atoms
               27   TYR  HE1 
 set-i-atoms
               86   HIS  HB2 
 set-j-atoms
               27   TYR  HE2 
 R<average>=   5.419 NOE= 3.54 (- 1.57/+ 1.57) Delta=  -0.309  E(NOE)=   4.777
 ========== spectrum     1 restraint  1397 ==========
 set-i-atoms
               100  ASP  HN  
 set-j-atoms
               100  ASP  HB1 
 R<average>=   3.376 NOE= 2.35 (- 0.69/+ 0.69) Delta=  -0.334  E(NOE)=   5.577
 ========== spectrum     1 restraint  1413 ==========
 set-i-atoms
               28   CYS  HN  
 set-j-atoms
               28   CYS  HB1 
 R<average>=   3.463 NOE= 2.42 (- 0.73/+ 0.73) Delta=  -0.308  E(NOE)=   4.737
 ========== spectrum     1 restraint  1517 ==========
 set-i-atoms
               93   LEU  HN  
 set-j-atoms
               92   GLU  HB2 
 R<average>=   3.741 NOE= 2.54 (- 0.80/+ 0.80) Delta=  -0.401  E(NOE)=   8.044

 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++++++++++++++++++++++++++++++ CLASS AMBI +++++++++++++++++++++++++++++++++++
 for this class: SCALe=  50.000 AVERage=sum    POTEntial=soft-square
                 SQCOnstant=   1.000 SQEXponent=    2 SQOFfsets(+/-)=   0.000   0.000
                 SOEXponent=    1 RSWItch=   1.000 ASYMptote=   2.000
 
 ========== spectrum     1 restraint  2090 ==========
 set-i-atoms
               4    LEU  HD12
 set-j-atoms
               97   ILE  HB  
 set-i-atoms
               4    LEU  HD11
 set-j-atoms
               97   ILE  HB  
 set-i-atoms
               4    LEU  HD13
 set-j-atoms
               97   ILE  HB  
 set-i-atoms
               4    LEU  HD12
 set-j-atoms
               101  LYS  HB2 
 set-i-atoms
               4    LEU  HD11
 set-j-atoms
               101  LYS  HB2 
 set-i-atoms
               4    LEU  HD13
 set-j-atoms
               101  LYS  HB2 
 R<average>=   3.477 NOE= 2.43 (- 0.74/+ 0.74) Delta=  -0.314  E(NOE)=   4.928
 ========== spectrum     1 restraint  2095 ==========
 set-i-atoms
               96   VAL  HG12
 set-j-atoms
               11   LYS  HA  
 set-i-atoms
               96   VAL  HG11
 set-j-atoms
               11   LYS  HA  
 set-i-atoms
               96   VAL  HG13
 set-j-atoms
               11   LYS  HA  
 set-i-atoms
               96   VAL  HG12
 set-j-atoms
               99   SER  HB1 
 set-i-atoms
               96   VAL  HG11
 set-j-atoms
               99   SER  HB1 
 set-i-atoms
               96   VAL  HG13
 set-j-atoms
               99   SER  HB1 
 R<average>=   3.842 NOE= 2.62 (- 0.85/+ 0.85) Delta=  -0.371  E(NOE)=   6.865
 ========== spectrum     1 restraint  2629 ==========
 set-i-atoms
               48   TRP  HE1 
 set-j-atoms
               4    LEU  HD22
 set-i-atoms
               48   TRP  HE1 
 set-j-atoms
               4    LEU  HD21
 set-i-atoms
               48   TRP  HE1 
 set-j-atoms
               4    LEU  HD23
 set-i-atoms
               48   TRP  HE1 
 set-j-atoms
               8    LEU  HD22
 set-i-atoms
               48   TRP  HE1 
 set-j-atoms
               8    LEU  HD21
 set-i-atoms
               48   TRP  HE1 
 set-j-atoms
               8    LEU  HD23
 R<average>=   5.117 NOE= 3.37 (- 1.42/+ 1.42) Delta=  -0.320  E(NOE)=   5.116

 NOEPRI: RMS diff. =   0.051,  #(violat.> 0.3)=    10 of   2708 NOEs
 NOEPRI: RMS diff. class DIST =   0.051,  #(viol.> 0.3)=     7 of   1995 NOEs
 NOEPRI: RMS diff. class AMBI =   0.051,  #(viol.> 0.3)=     3 of    713 NOEs

 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++++++++++++++++++++++++++++++ CLASS DIST +++++++++++++++++++++++++++++++++++
 for this class: SCALe=  50.000 AVERage=sum    POTEntial=soft-square
                 SQCOnstant=   1.000 SQEXponent=    2 SQOFfsets(+/-)=   0.000   0.000
                 SOEXponent=    1 RSWItch=   1.000 ASYMptote=   2.000
 
 ========== spectrum     1 restraint   183 ==========
 set-i-atoms
               76   ARG  HG1 
 set-j-atoms
               61   SER  HA  
 R<average>=   4.095 NOE= 2.79 (- 0.98/+ 0.98) Delta=  -0.323  E(NOE)=   5.230
 ========== spectrum     1 restraint   489 ==========
 set-i-atoms
               26   SER  HB2 
 set-j-atoms
               26   SER  HA  
 R<average>=   2.960 NOE= 1.89 (- 0.45/+ 0.45) Delta=  -0.628  E(NOE)=  19.736
 ========== spectrum     1 restraint  1033 ==========
 set-i-atoms
               17   LYS  HD1 
 set-j-atoms
               52   ILE  HD12
 set-i-atoms
               17   LYS  HD1 
 set-j-atoms
               52   ILE  HD11
 set-i-atoms
               17   LYS  HD1 
 set-j-atoms
               52   ILE  HD13
 set-i-atoms
               17   LYS  HD2 
 set-j-atoms
               52   ILE  HD12
 set-i-atoms
               17   LYS  HD2 
 set-j-atoms
               52   ILE  HD11
 set-i-atoms
               17   LYS  HD2 
 set-j-atoms
               52   ILE  HD13
 R<average>=   4.657 NOE= 3.12 (- 1.21/+ 1.21) Delta=  -0.329  E(NOE)=   5.402

 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++++++++++++++++++++++++++++++ CLASS AMBI +++++++++++++++++++++++++++++++++++
 for this class: SCALe=  50.000 AVERage=sum    POTEntial=soft-square
                 SQCOnstant=   1.000 SQEXponent=    2 SQOFfsets(+/-)=   0.000   0.000
                 SOEXponent=    1 RSWItch=   1.000 ASYMptote=   2.000
 
 ========== spectrum     1 restraint  2090 ==========
 set-i-atoms
               4    LEU  HD12
 set-j-atoms
               97   ILE  HB  
 set-i-atoms
               4    LEU  HD11
 set-j-atoms
               97   ILE  HB  
 set-i-atoms
               4    LEU  HD13
 set-j-atoms
               97   ILE  HB  
 set-i-atoms
               4    LEU  HD12
 set-j-atoms
               101  LYS  HB2 
 set-i-atoms
               4    LEU  HD11
 set-j-atoms
               101  LYS  HB2 
 set-i-atoms
               4    LEU  HD13
 set-j-atoms
               101  LYS  HB2 
 R<average>=   3.523 NOE= 2.43 (- 0.74/+ 0.74) Delta=  -0.360  E(NOE)=   6.478
 ========== spectrum     1 restraint  2563 ==========
 set-i-atoms
               47   GLU  HN  
 set-j-atoms
               36   TYR  HE1 
 set-i-atoms
               47   GLU  HN  
 set-j-atoms
               36   TYR  HE2 
 set-i-atoms
               49   ARG  HE  
 set-j-atoms
               47   GLU  HN  
 R<average>=   4.297 NOE= 2.92 (- 1.07/+ 1.07) Delta=  -0.310  E(NOE)=   4.811

 NOEPRI: RMS diff. =   0.048,  #(violat.> 0.3)=     5 of   2708 NOEs
 NOEPRI: RMS diff. class DIST =   0.046,  #(viol.> 0.3)=     3 of   1995 NOEs
 NOEPRI: RMS diff. class AMBI =   0.052,  #(viol.> 0.3)=     2 of    713 NOEs

 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++++++++++++++++++++++++++++++ CLASS DIST +++++++++++++++++++++++++++++++++++
 for this class: SCALe=  50.000 AVERage=sum    POTEntial=soft-square
                 SQCOnstant=   1.000 SQEXponent=    2 SQOFfsets(+/-)=   0.000   0.000
                 SOEXponent=    1 RSWItch=   1.000 ASYMptote=   2.000
 
 ========== spectrum     1 restraint     1 ==========
 set-i-atoms
               27   TYR  HB2 
 set-j-atoms
               20   CYS  HA  
 R<average>=   3.558 NOE= 2.43 (- 0.74/+ 0.74) Delta=  -0.388  E(NOE)=   7.542
 ========== spectrum     1 restraint   270 ==========
 set-i-atoms
               17   LYS  HG2 
 set-j-atoms
               17   LYS  HE1 
 set-i-atoms
               17   LYS  HG2 
 set-j-atoms
               17   LYS  HE2 
 R<average>=   3.260 NOE= 2.23 (- 0.62/+ 0.62) Delta=  -0.415  E(NOE)=   8.621
 ========== spectrum     1 restraint   468 ==========
 set-i-atoms
               82   PRO  HB2 
 set-j-atoms
               82   PRO  HA  
 R<average>=   2.766 NOE= 1.97 (- 0.49/+ 0.49) Delta=  -0.309  E(NOE)=   4.771
 ========== spectrum     1 restraint  1003 ==========
 set-i-atoms
               27   TYR  HD1 
 set-j-atoms
               19   SER  HA  
 set-i-atoms
               27   TYR  HD2 
 set-j-atoms
               19   SER  HA  
 R<average>=   4.575 NOE= 3.05 (- 1.16/+ 1.16) Delta=  -0.360  E(NOE)=   6.471
 ========== spectrum     1 restraint  1397 ==========
 set-i-atoms
               100  ASP  HN  
 set-j-atoms
               100  ASP  HB1 
 R<average>=   3.454 NOE= 2.35 (- 0.69/+ 0.69) Delta=  -0.412  E(NOE)=   8.490

 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++++++++++++++++++++++++++++++ CLASS AMBI +++++++++++++++++++++++++++++++++++
 for this class: SCALe=  50.000 AVERage=sum    POTEntial=soft-square
                 SQCOnstant=   1.000 SQEXponent=    2 SQOFfsets(+/-)=   0.000   0.000
                 SOEXponent=    1 RSWItch=   1.000 ASYMptote=   2.000
 
 ========== spectrum     1 restraint  2090 ==========
 set-i-atoms
               4    LEU  HD12
 set-j-atoms
               97   ILE  HB  
 set-i-atoms
               4    LEU  HD11
 set-j-atoms
               97   ILE  HB  
 set-i-atoms
               4    LEU  HD13
 set-j-atoms
               97   ILE  HB  
 set-i-atoms
               4    LEU  HD12
 set-j-atoms
               101  LYS  HB2 
 set-i-atoms
               4    LEU  HD11
 set-j-atoms
               101  LYS  HB2 
 set-i-atoms
               4    LEU  HD13
 set-j-atoms
               101  LYS  HB2 
 R<average>=   3.493 NOE= 2.43 (- 0.74/+ 0.74) Delta=  -0.330  E(NOE)=   5.439
 ========== spectrum     1 restraint  2095 ==========
 set-i-atoms
               96   VAL  HG12
 set-j-atoms
               11   LYS  HA  
 set-i-atoms
               96   VAL  HG11
 set-j-atoms
               11   LYS  HA  
 set-i-atoms
               96   VAL  HG13
 set-j-atoms
               11   LYS  HA  
 set-i-atoms
               96   VAL  HG12
 set-j-atoms
               99   SER  HB2 
 set-i-atoms
               96   VAL  HG11
 set-j-atoms
               99   SER  HB2 
 set-i-atoms
               96   VAL  HG13
 set-j-atoms
               99   SER  HB2 
 R<average>=   3.775 NOE= 2.62 (- 0.85/+ 0.85) Delta=  -0.304  E(NOE)=   4.631
 ========== spectrum     1 restraint  2353 ==========
 set-i-atoms
               20   CYS  HB2 
 set-j-atoms
               17   LYS  HG1 
 set-i-atoms
               27   TYR  HB2 
 set-j-atoms
               17   LYS  HG1 
 R<average>=   4.996 NOE= 3.28 (- 1.35/+ 1.35) Delta=  -0.364  E(NOE)=   6.616
 ========== spectrum     1 restraint  2563 ==========
 set-i-atoms
               47   GLU  HN  
 set-j-atoms
               36   TYR  HE1 
 set-i-atoms
               47   GLU  HN  
 set-j-atoms
               36   TYR  HE2 
 set-i-atoms
               49   ARG  HE  
 set-j-atoms
               47   GLU  HN  
 R<average>=   4.306 NOE= 2.92 (- 1.07/+ 1.07) Delta=  -0.319  E(NOE)=   5.076

 NOEPRI: RMS diff. =   0.049,  #(violat.> 0.3)=     9 of   2708 NOEs
 NOEPRI: RMS diff. class DIST =   0.048,  #(viol.> 0.3)=     5 of   1995 NOEs
 NOEPRI: RMS diff. class AMBI =   0.050,  #(viol.> 0.3)=     4 of    713 NOEs

 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++++++++++++++++++++++++++++++ CLASS DIST +++++++++++++++++++++++++++++++++++
 for this class: SCALe=  50.000 AVERage=sum    POTEntial=soft-square
                 SQCOnstant=   1.000 SQEXponent=    2 SQOFfsets(+/-)=   0.000   0.000
                 SOEXponent=    1 RSWItch=   1.000 ASYMptote=   2.000
 
 ========== spectrum     1 restraint    23 ==========
 set-i-atoms
               6    GLU  HG1 
 set-j-atoms
               6    GLU  HB1 
 R<average>=   2.949 NOE= 2.08 (- 0.54/+ 0.54) Delta=  -0.323  E(NOE)=   5.213
 ========== spectrum     1 restraint   468 ==========
 set-i-atoms
               82   PRO  HB2 
 set-j-atoms
               82   PRO  HA  
 R<average>=   2.767 NOE= 1.97 (- 0.49/+ 0.49) Delta=  -0.310  E(NOE)=   4.800
 ========== spectrum     1 restraint   489 ==========
 set-i-atoms
               26   SER  HB2 
 set-j-atoms
               26   SER  HA  
 R<average>=   2.932 NOE= 1.89 (- 0.45/+ 0.45) Delta=  -0.600  E(NOE)=  18.008
 ========== spectrum     1 restraint   623 ==========
 set-i-atoms
               7    ALA  HA  
 set-j-atoms
               10   ARG  HB1 
 R<average>=   3.517 NOE= 2.46 (- 0.75/+ 0.75) Delta=  -0.306  E(NOE)=   4.689
 ========== spectrum     1 restraint   761 ==========
 set-i-atoms
               10   ARG  HB1 
 set-j-atoms
               10   ARG  HD2 
 R<average>=   3.526 NOE= 2.43 (- 0.74/+ 0.74) Delta=  -0.356  E(NOE)=   6.336
 ========== spectrum     1 restraint  1033 ==========
 set-i-atoms
               17   LYS  HD2 
 set-j-atoms
               52   ILE  HD12
 set-i-atoms
               17   LYS  HD2 
 set-j-atoms
               52   ILE  HD11
 set-i-atoms
               17   LYS  HD2 
 set-j-atoms
               52   ILE  HD13
 set-i-atoms
               17   LYS  HD1 
 set-j-atoms
               52   ILE  HD12
 set-i-atoms
               17   LYS  HD1 
 set-j-atoms
               52   ILE  HD11
 set-i-atoms
               17   LYS  HD1 
 set-j-atoms
               52   ILE  HD13
 R<average>=   4.677 NOE= 3.12 (- 1.21/+ 1.21) Delta=  -0.349  E(NOE)=   6.091
 ========== spectrum     1 restraint  1052 ==========
 set-i-atoms
               72   MET  HG2 
 set-j-atoms
               72   MET  HA  
 R<average>=   3.507 NOE= 2.38 (- 0.71/+ 0.71) Delta=  -0.424  E(NOE)=   8.968
 ========== spectrum     1 restraint  1258 ==========
 set-i-atoms
               11   LYS  HN  
 set-j-atoms
               10   ARG  HD2 
 R<average>=   5.924 NOE= 3.79 (- 1.79/+ 1.79) Delta=  -0.344  E(NOE)=   5.919

 NOEPRI: RMS diff. =   0.051,  #(violat.> 0.3)=     8 of   1995 NOEs
 NOEPRI: RMS diff. class DIST =   0.051,  #(viol.> 0.3)=     8 of   1995 NOEs

 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++++++++++++++++++++++++++++++ CLASS DIST +++++++++++++++++++++++++++++++++++
 for this class: SCALe=  50.000 AVERage=sum    POTEntial=soft-square
                 SQCOnstant=   1.000 SQEXponent=    2 SQOFfsets(+/-)=   0.000   0.000
                 SOEXponent=    1 RSWItch=   1.000 ASYMptote=   2.000
 
 ========== spectrum     1 restraint   552 ==========
 set-i-atoms
               5    GLN  HA  
 set-j-atoms
               5    GLN  HG2 
 R<average>=   3.789 NOE= 2.61 (- 0.85/+ 0.85) Delta=  -0.331  E(NOE)=   5.493
 ========== spectrum     1 restraint   618 ==========
 set-i-atoms
               108  LYS  HD1 
 set-j-atoms
               110  GLU  HA  
 set-i-atoms
               108  LYS  HD2 
 set-j-atoms
               110  GLU  HA  
 R<average>=   2.487 NOE= 1.78 (- 0.40/+ 0.40) Delta=  -0.312  E(NOE)=   4.854
 ========== spectrum     1 restraint   620 ==========
 set-i-atoms
               44   GLN  HB2 
 set-j-atoms
               44   GLN  HA  
 R<average>=   2.969 NOE= 1.92 (- 0.46/+ 0.46) Delta=  -0.588  E(NOE)=  17.278
 ========== spectrum     1 restraint  1052 ==========
 set-i-atoms
               72   MET  HG1 
 set-j-atoms
               72   MET  HA  
 R<average>=   3.581 NOE= 2.38 (- 0.71/+ 0.71) Delta=  -0.498  E(NOE)=  12.422

 NOEPRI: RMS diff. =   0.050,  #(violat.> 0.3)=     4 of   1995 NOEs
 NOEPRI: RMS diff. class DIST =   0.050,  #(viol.> 0.3)=     4 of   1995 NOEs

 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++++++++++++++++++++++++++++++ CLASS DIST +++++++++++++++++++++++++++++++++++
 for this class: SCALe=  50.000 AVERage=sum    POTEntial=soft-square
                 SQCOnstant=   1.000 SQEXponent=    2 SQOFfsets(+/-)=   0.000   0.000
                 SOEXponent=    1 RSWItch=   1.000 ASYMptote=   2.000
 
 ========== spectrum     1 restraint    23 ==========
 set-i-atoms
               6    GLU  HG1 
 set-j-atoms
               6    GLU  HB1 
 R<average>=   2.957 NOE= 2.08 (- 0.54/+ 0.54) Delta=  -0.331  E(NOE)=   5.467
 ========== spectrum     1 restraint   468 ==========
 set-i-atoms
               82   PRO  HB2 
 set-j-atoms
               82   PRO  HA  
 R<average>=   2.771 NOE= 1.97 (- 0.49/+ 0.49) Delta=  -0.314  E(NOE)=   4.935
 ========== spectrum     1 restraint  1033 ==========
 set-i-atoms
               17   LYS  HD2 
 set-j-atoms
               52   ILE  HD12
 set-i-atoms
               17   LYS  HD2 
 set-j-atoms
               52   ILE  HD11
 set-i-atoms
               17   LYS  HD2 
 set-j-atoms
               52   ILE  HD13
 set-i-atoms
               17   LYS  HD1 
 set-j-atoms
               52   ILE  HD12
 set-i-atoms
               17   LYS  HD1 
 set-j-atoms
               52   ILE  HD11
 set-i-atoms
               17   LYS  HD1 
 set-j-atoms
               52   ILE  HD13
 R<average>=   4.648 NOE= 3.12 (- 1.21/+ 1.21) Delta=  -0.320  E(NOE)=   5.121
 ========== spectrum     1 restraint  1397 ==========
 set-i-atoms
               100  ASP  HN  
 set-j-atoms
               100  ASP  HB1 
 R<average>=   3.380 NOE= 2.35 (- 0.69/+ 0.69) Delta=  -0.338  E(NOE)=   5.715

 NOEPRI: RMS diff. =   0.045,  #(violat.> 0.3)=     4 of   1995 NOEs
 NOEPRI: RMS diff. class DIST =   0.045,  #(viol.> 0.3)=     4 of   1995 NOEs

 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++++++++++++++++++++++++++++++ CLASS DIST +++++++++++++++++++++++++++++++++++
 for this class: SCALe=  50.000 AVERage=sum    POTEntial=soft-square
                 SQCOnstant=   1.000 SQEXponent=    2 SQOFfsets(+/-)=   0.000   0.000
                 SOEXponent=    1 RSWItch=   1.000 ASYMptote=   2.000
 
 ========== spectrum     1 restraint    23 ==========
 set-i-atoms
               6    GLU  HG1 
 set-j-atoms
               6    GLU  HB1 
 R<average>=   2.955 NOE= 2.08 (- 0.54/+ 0.54) Delta=  -0.329  E(NOE)=   5.426
 ========== spectrum     1 restraint   250 ==========
 set-i-atoms
               89   ARG  HG2 
 set-j-atoms
               89   ARG  HA  
 R<average>=   4.119 NOE= 2.80 (- 0.98/+ 0.98) Delta=  -0.332  E(NOE)=   5.511
 ========== spectrum     1 restraint   677 ==========
 set-i-atoms
               89   ARG  HA  
 set-j-atoms
               89   ARG  HD2 
 R<average>=   3.786 NOE= 2.18 (- 0.59/+ 0.59) Delta=  -1.009  E(NOE)=  50.879
 ========== spectrum     1 restraint  1033 ==========
 set-i-atoms
               17   LYS  HD2 
 set-j-atoms
               52   ILE  HD12
 set-i-atoms
               17   LYS  HD2 
 set-j-atoms
               52   ILE  HD11
 set-i-atoms
               17   LYS  HD2 
 set-j-atoms
               52   ILE  HD13
 set-i-atoms
               17   LYS  HD1 
 set-j-atoms
               52   ILE  HD12
 set-i-atoms
               17   LYS  HD1 
 set-j-atoms
               52   ILE  HD11
 set-i-atoms
               17   LYS  HD1 
 set-j-atoms
               52   ILE  HD13
 R<average>=   4.682 NOE= 3.12 (- 1.21/+ 1.21) Delta=  -0.354  E(NOE)=   6.262
 ========== spectrum     1 restraint  1052 ==========
 set-i-atoms
               72   MET  HG1 
 set-j-atoms
               72   MET  HA  
 R<average>=   3.530 NOE= 2.38 (- 0.71/+ 0.71) Delta=  -0.447  E(NOE)=  10.007
 ========== spectrum     1 restraint  1727 ==========
 set-i-atoms
               39   GLY  HN  
 set-j-atoms
               38   LYS  HB2 
 R<average>=   4.016 NOE= 2.75 (- 0.95/+ 0.95) Delta=  -0.314  E(NOE)=   4.926

 NOEPRI: RMS diff. =   0.054,  #(violat.> 0.3)=     6 of   1995 NOEs
 NOEPRI: RMS diff. class DIST =   0.054,  #(viol.> 0.3)=     6 of   1995 NOEs

 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++++++++++++++++++++++++++++++ CLASS DIST +++++++++++++++++++++++++++++++++++
 for this class: SCALe=  50.000 AVERage=sum    POTEntial=soft-square
                 SQCOnstant=   1.000 SQEXponent=    2 SQOFfsets(+/-)=   0.000   0.000
                 SOEXponent=    1 RSWItch=   1.000 ASYMptote=   2.000
 
 ========== spectrum     1 restraint   411 ==========
 set-i-atoms
               32   ILE  HD12
 set-j-atoms
               52   ILE  HG12
 set-i-atoms
               32   ILE  HD11
 set-j-atoms
               52   ILE  HG12
 set-i-atoms
               32   ILE  HD13
 set-j-atoms
               52   ILE  HG12
 R<average>=   3.387 NOE= 2.34 (- 0.68/+ 0.68) Delta=  -0.364  E(NOE)=   6.628
 ========== spectrum     1 restraint   652 ==========
 set-i-atoms
               47   GLU  HG1 
 set-j-atoms
               47   GLU  HA  
 R<average>=   3.072 NOE= 2.17 (- 0.59/+ 0.59) Delta=  -0.319  E(NOE)=   5.074
 ========== spectrum     1 restraint  1003 ==========
 set-i-atoms
               27   TYR  HD1 
 set-j-atoms
               19   SER  HA  
 set-i-atoms
               27   TYR  HD2 
 set-j-atoms
               19   SER  HA  
 R<average>=   4.533 NOE= 3.05 (- 1.16/+ 1.16) Delta=  -0.318  E(NOE)=   5.054
 ========== spectrum     1 restraint  1033 ==========
 set-i-atoms
               17   LYS  HD2 
 set-j-atoms
               52   ILE  HD12
 set-i-atoms
               17   LYS  HD2 
 set-j-atoms
               52   ILE  HD11
 set-i-atoms
               17   LYS  HD2 
 set-j-atoms
               52   ILE  HD13
 set-i-atoms
               17   LYS  HD1 
 set-j-atoms
               52   ILE  HD12
 set-i-atoms
               17   LYS  HD1 
 set-j-atoms
               52   ILE  HD11
 set-i-atoms
               17   LYS  HD1 
 set-j-atoms
               52   ILE  HD13
 R<average>=   4.675 NOE= 3.12 (- 1.21/+ 1.21) Delta=  -0.347  E(NOE)=   6.017
 ========== spectrum     1 restraint  1052 ==========
 set-i-atoms
               72   MET  HG1 
 set-j-atoms
               72   MET  HA  
 R<average>=   3.546 NOE= 2.38 (- 0.71/+ 0.71) Delta=  -0.463  E(NOE)=  10.698
 ========== spectrum     1 restraint  1397 ==========
 set-i-atoms
               100  ASP  HN  
 set-j-atoms
               100  ASP  HB1 
 R<average>=   3.387 NOE= 2.35 (- 0.69/+ 0.69) Delta=  -0.345  E(NOE)=   5.957

 NOEPRI: RMS diff. =   0.049,  #(violat.> 0.3)=     6 of   1995 NOEs
 NOEPRI: RMS diff. class DIST =   0.049,  #(viol.> 0.3)=     6 of   1995 NOEs

 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++++++++++++++++++++++++++++++ CLASS DIST +++++++++++++++++++++++++++++++++++
 for this class: SCALe=  50.000 AVERage=sum    POTEntial=soft-square
                 SQCOnstant=   1.000 SQEXponent=    2 SQOFfsets(+/-)=   0.000   0.000
                 SOEXponent=    1 RSWItch=   1.000 ASYMptote=   2.000
 
 ========== spectrum     1 restraint   851 ==========
 set-i-atoms
               52   ILE  HB  
 set-j-atoms
               85   SER  HB2 
 R<average>=   5.161 NOE= 3.41 (- 1.45/+ 1.45) Delta=  -0.305  E(NOE)=   4.646

 NOEPRI: RMS diff. =   0.046,  #(violat.> 0.3)=     1 of   1995 NOEs
 NOEPRI: RMS diff. class DIST =   0.046,  #(viol.> 0.3)=     1 of   1995 NOEs

 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++++++++++++++++++++++++++++++ CLASS DIST +++++++++++++++++++++++++++++++++++
 for this class: SCALe=  50.000 AVERage=sum    POTEntial=soft-square
                 SQCOnstant=   1.000 SQEXponent=    2 SQOFfsets(+/-)=   0.000   0.000
                 SOEXponent=    1 RSWItch=   1.000 ASYMptote=   2.000
 
 ========== spectrum     1 restraint   489 ==========
 set-i-atoms
               26   SER  HB2 
 set-j-atoms
               26   SER  HA  
 R<average>=   2.953 NOE= 1.89 (- 0.45/+ 0.45) Delta=  -0.621  E(NOE)=  19.258

 NOEPRI: RMS diff. =   0.047,  #(violat.> 0.3)=     1 of   1995 NOEs
 NOEPRI: RMS diff. class DIST =   0.047,  #(viol.> 0.3)=     1 of   1995 NOEs

 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++++++++++++++++++++++++++++++ CLASS DIST +++++++++++++++++++++++++++++++++++
 for this class: SCALe=  50.000 AVERage=sum    POTEntial=soft-square
                 SQCOnstant=   1.000 SQEXponent=    2 SQOFfsets(+/-)=   0.000   0.000
                 SOEXponent=    1 RSWItch=   1.000 ASYMptote=   2.000
 
 ========== spectrum     1 restraint   270 ==========
 set-i-atoms
               17   LYS  HG2 
 set-j-atoms
               17   LYS  HE1 
 set-i-atoms
               17   LYS  HG2 
 set-j-atoms
               17   LYS  HE2 
 R<average>=   3.202 NOE= 2.23 (- 0.62/+ 0.62) Delta=  -0.357  E(NOE)=   6.375
 ========== spectrum     1 restraint   802 ==========
 set-i-atoms
               11   LYS  HA  
 set-j-atoms
               11   LYS  HE1 
 R<average>=   3.844 NOE= 2.66 (- 0.88/+ 0.88) Delta=  -0.301  E(NOE)=   4.529
 ========== spectrum     1 restraint   851 ==========
 set-i-atoms
               52   ILE  HB  
 set-j-atoms
               85   SER  HB2 
 R<average>=   5.183 NOE= 3.41 (- 1.45/+ 1.45) Delta=  -0.327  E(NOE)=   5.347
 ========== spectrum     1 restraint   864 ==========
 set-i-atoms
               86   HIS  HB2 
 set-j-atoms
               27   TYR  HE1 
 set-i-atoms
               86   HIS  HB2 
 set-j-atoms
               27   TYR  HE2 
 R<average>=   5.419 NOE= 3.54 (- 1.57/+ 1.57) Delta=  -0.309  E(NOE)=   4.777
 ========== spectrum     1 restraint  1397 ==========
 set-i-atoms
               100  ASP  HN  
 set-j-atoms
               100  ASP  HB1 
 R<average>=   3.376 NOE= 2.35 (- 0.69/+ 0.69) Delta=  -0.334  E(NOE)=   5.577
 ========== spectrum     1 restraint  1413 ==========
 set-i-atoms
               28   CYS  HN  
 set-j-atoms
               28   CYS  HB1 
 R<average>=   3.463 NOE= 2.42 (- 0.73/+ 0.73) Delta=  -0.308  E(NOE)=   4.737
 ========== spectrum     1 restraint  1517 ==========
 set-i-atoms
               93   LEU  HN  
 set-j-atoms
               92   GLU  HB2 
 R<average>=   3.741 NOE= 2.54 (- 0.80/+ 0.80) Delta=  -0.401  E(NOE)=   8.044

 NOEPRI: RMS diff. =   0.051,  #(violat.> 0.3)=     7 of   1995 NOEs
 NOEPRI: RMS diff. class DIST =   0.051,  #(viol.> 0.3)=     7 of   1995 NOEs

 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++++++++++++++++++++++++++++++ CLASS DIST +++++++++++++++++++++++++++++++++++
 for this class: SCALe=  50.000 AVERage=sum    POTEntial=soft-square
                 SQCOnstant=   1.000 SQEXponent=    2 SQOFfsets(+/-)=   0.000   0.000
                 SOEXponent=    1 RSWItch=   1.000 ASYMptote=   2.000
 
 ========== spectrum     1 restraint   183 ==========
 set-i-atoms
               76   ARG  HG1 
 set-j-atoms
               61   SER  HA  
 R<average>=   4.095 NOE= 2.79 (- 0.98/+ 0.98) Delta=  -0.323  E(NOE)=   5.230
 ========== spectrum     1 restraint   489 ==========
 set-i-atoms
               26   SER  HB2 
 set-j-atoms
               26   SER  HA  
 R<average>=   2.960 NOE= 1.89 (- 0.45/+ 0.45) Delta=  -0.628  E(NOE)=  19.736
 ========== spectrum     1 restraint  1033 ==========
 set-i-atoms
               17   LYS  HD1 
 set-j-atoms
               52   ILE  HD12
 set-i-atoms
               17   LYS  HD1 
 set-j-atoms
               52   ILE  HD11
 set-i-atoms
               17   LYS  HD1 
 set-j-atoms
               52   ILE  HD13
 set-i-atoms
               17   LYS  HD2 
 set-j-atoms
               52   ILE  HD12
 set-i-atoms
               17   LYS  HD2 
 set-j-atoms
               52   ILE  HD11
 set-i-atoms
               17   LYS  HD2 
 set-j-atoms
               52   ILE  HD13
 R<average>=   4.657 NOE= 3.12 (- 1.21/+ 1.21) Delta=  -0.329  E(NOE)=   5.402

 NOEPRI: RMS diff. =   0.046,  #(violat.> 0.3)=     3 of   1995 NOEs
 NOEPRI: RMS diff. class DIST =   0.046,  #(viol.> 0.3)=     3 of   1995 NOEs

 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 +++++++++++++++++++++++++++++++ CLASS DIST +++++++++++++++++++++++++++++++++++
 for this class: SCALe=  50.000 AVERage=sum    POTEntial=soft-square
                 SQCOnstant=   1.000 SQEXponent=    2 SQOFfsets(+/-)=   0.000   0.000
                 SOEXponent=    1 RSWItch=   1.000 ASYMptote=   2.000
 
 ========== spectrum     1 restraint     1 ==========
 set-i-atoms
               27   TYR  HB2 
 set-j-atoms
               20   CYS  HA  
 R<average>=   3.558 NOE= 2.43 (- 0.74/+ 0.74) Delta=  -0.388  E(NOE)=   7.542
 ========== spectrum     1 restraint   270 ==========
 set-i-atoms
               17   LYS  HG2 
 set-j-atoms
               17   LYS  HE1 
 set-i-atoms
               17   LYS  HG2 
 set-j-atoms
               17   LYS  HE2 
 R<average>=   3.260 NOE= 2.23 (- 0.62/+ 0.62) Delta=  -0.415  E(NOE)=   8.621
 ========== spectrum     1 restraint   468 ==========
 set-i-atoms
               82   PRO  HB2 
 set-j-atoms
               82   PRO  HA  
 R<average>=   2.766 NOE= 1.97 (- 0.49/+ 0.49) Delta=  -0.309  E(NOE)=   4.771
 ========== spectrum     1 restraint  1003 ==========
 set-i-atoms
               27   TYR  HD1 
 set-j-atoms
               19   SER  HA  
 set-i-atoms
               27   TYR  HD2 
 set-j-atoms
               19   SER  HA  
 R<average>=   4.575 NOE= 3.05 (- 1.16/+ 1.16) Delta=  -0.360  E(NOE)=   6.471
 ========== spectrum     1 restraint  1397 ==========
 set-i-atoms
               100  ASP  HN  
 set-j-atoms
               100  ASP  HB1 
 R<average>=   3.454 NOE= 2.35 (- 0.69/+ 0.69) Delta=  -0.412  E(NOE)=   8.490

 NOEPRI: RMS diff. =   0.048,  #(violat.> 0.3)=     5 of   1995 NOEs
 NOEPRI: RMS diff. class DIST =   0.048,  #(viol.> 0.3)=     5 of   1995 NOEs

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           HT1      ALA   1  -1.202  12.011  -7.122
    2    H2   ALA   1           HT2      ALA   1  -2.250  12.787  -6.036
    3    H3   ALA   1           HT3      ALA   1  -2.640  12.716  -7.685
    4    HA   ALA   1           HA       ALA   1  -2.715  10.272  -7.503
    5    HB1  ALA   1           HB1      ALA   1  -1.362  10.227  -5.386
    6    HB2  ALA   1           HB2      ALA   1  -2.800   9.206  -5.405
    7    HB3  ALA   1           HB3      ALA   1  -2.821  10.751  -4.539
    8    HA   PRO   2           HA       PRO   2  -6.989  11.419  -7.525
    9    HB2  PRO   2           HB2      PRO   2  -7.501   8.600  -8.021
   10    HB3  PRO   2           HB1      PRO   2  -7.760   9.982  -9.071
   11    HG2  PRO   2           HG2      PRO   2  -5.830   8.211  -9.603
   12    HG3  PRO   2           HG1      PRO   2  -5.568   9.949  -9.869
   13    HD2  PRO   2           HD2      PRO   2  -4.758   8.289  -7.500
   14    HD3  PRO   2           HD1      PRO   2  -3.766   9.399  -8.475
   15    H    THR   3           HN       THR   3  -5.823   8.678  -5.670
   16    HA   THR   3           HA       THR   3  -8.034   9.098  -3.803
   17    HB   THR   3           HB       THR   3  -8.277   6.688  -3.472
   18    HG1  THR   3           HG1      THR   3  -7.251   5.563  -5.547
   19   HG21  THR   3          HG21      THR   3  -9.776   7.809  -5.030
   20   HG22  THR   3          HG22      THR   3  -9.409   6.185  -5.614
   21   HG23  THR   3          HG23      THR   3  -8.616   7.586  -6.345
   22    H    LEU   4           HN       LEU   4  -7.584   7.935  -1.660
   23    HA   LEU   4           HA       LEU   4  -5.270   9.169  -0.705
   24    HB2  LEU   4           HB2      LEU   4  -7.187   8.937   0.704
   25    HB3  LEU   4           HB1      LEU   4  -7.119   7.184   0.590
   26    HG   LEU   4           HG       LEU   4  -4.909   7.277   1.788
   27   HD11  LEU   4          HD11      LEU   4  -4.266   9.526   1.266
   28   HD12  LEU   4          HD12      LEU   4  -4.479   9.404   3.024
   29   HD13  LEU   4          HD13      LEU   4  -5.729  10.161   2.031
   30   HD21  LEU   4          HD21      LEU   4  -6.956   6.723   2.987
   31   HD22  LEU   4          HD22      LEU   4  -7.294   8.438   3.230
   32   HD23  LEU   4          HD23      LEU   4  -5.885   7.699   3.995
   33    H    GLN   5           HN       GLN   5  -5.918   5.770  -1.422
   34    HA   GLN   5           HA       GLN   5  -3.536   4.716  -0.359
   35    HB2  GLN   5           HB2      GLN   5  -5.592   3.434  -1.062
   36    HB3  GLN   5           HB1      GLN   5  -5.048   3.608  -2.720
   37    HG2  GLN   5           HG2      GLN   5  -3.229   2.431  -0.672
   38    HG3  GLN   5           HG1      GLN   5  -4.500   1.454  -1.391
   39   HE21  GLN   5          HE21      GLN   5  -1.579   1.238  -1.566
   40   HE22  GLN   5          HE22      GLN   5  -1.184   1.326  -3.246
   41    H    GLU   6           HN       GLU   6  -4.196   6.295  -3.446
   42    HA   GLU   6           HA       GLU   6  -1.695   5.434  -4.554
   43    HB2  GLU   6           HB2      GLU   6  -3.685   6.082  -5.958
   44    HB3  GLU   6           HB1      GLU   6  -3.286   7.746  -5.576
   45    HG2  GLU   6           HG2      GLU   6  -1.199   7.613  -6.604
   46    HG3  GLU   6           HG1      GLU   6  -1.321   5.882  -6.743
   47    H    ALA   7           HN       ALA   7  -2.773   8.141  -2.623
   48    HA   ALA   7           HA       ALA   7  -0.410   9.721  -2.944
   49    HB1  ALA   7           HB1      ALA   7  -2.406   9.502  -0.656
   50    HB2  ALA   7           HB2      ALA   7  -2.408  10.692  -1.967
   51    HB3  ALA   7           HB3      ALA   7  -1.117  10.710  -0.763
   52    H    LEU   8           HN       LEU   8  -1.301   6.898  -1.120
   53    HA   LEU   8           HA       LEU   8   0.995   6.763   0.512
   54    HB2  LEU   8           HB2      LEU   8  -0.865   4.685  -0.520
   55    HB3  LEU   8           HB1      LEU   8   0.500   4.289   0.496
   56    HG   LEU   8           HG       LEU   8  -2.022   5.690   1.173
   57   HD11  LEU   8          HD11      LEU   8  -1.905   4.188   3.071
   58   HD12  LEU   8          HD12      LEU   8  -0.303   3.652   2.568
   59   HD13  LEU   8          HD13      LEU   8  -1.710   3.291   1.567
   60   HD21  LEU   8          HD21      LEU   8  -0.446   7.311   1.898
   61   HD22  LEU   8          HD22      LEU   8   0.608   6.060   2.562
   62   HD23  LEU   8          HD23      LEU   8  -0.953   6.382   3.316
   63    H    ASP   9           HN       ASP   9   0.175   5.212  -2.571
   64    HA   ASP   9           HA       ASP   9   2.597   4.004  -3.188
   65    HB2  ASP   9           HB2      ASP   9   0.439   5.259  -4.878
   66    HB3  ASP   9           HB1      ASP   9   1.888   4.601  -5.628
   67    H    ARG  10           HN       ARG  10   1.631   7.325  -3.292
   68    HA   ARG  10           HA       ARG  10   3.833   8.314  -4.852
   69    HB2  ARG  10           HB2      ARG  10   1.638   9.551  -3.194
   70    HB3  ARG  10           HB1      ARG  10   2.863  10.537  -3.941
   71    HG2  ARG  10           HG2      ARG  10   2.241   9.525  -6.103
   72    HG3  ARG  10           HG1      ARG  10   0.871   8.787  -5.255
   73    HD2  ARG  10           HD2      ARG  10   0.035  10.740  -6.037
   74    HD3  ARG  10           HD1      ARG  10   0.387  11.132  -4.401
   75    HE   ARG  10           HE       ARG  10   2.232  11.825  -6.593
   76   HH11  ARG  10          HH11      ARG  10   0.330  12.795  -3.802
   77   HH12  ARG  10          HH12      ARG  10   1.011  14.392  -3.747
   78   HH21  ARG  10          HH21      ARG  10   3.118  13.893  -6.517
   79   HH22  ARG  10          HH22      ARG  10   2.600  15.021  -5.291
   80    H    LYS  11           HN       LYS  11   2.918   8.320  -1.463
   81    HA   LYS  11           HA       LYS  11   5.232   9.396  -0.313
   82    HB2  LYS  11           HB2      LYS  11   3.163   8.866   0.915
   83    HB3  LYS  11           HB1      LYS  11   3.526   7.166   0.734
   84    HG2  LYS  11           HG2      LYS  11   4.125   8.027   2.935
   85    HG3  LYS  11           HG1      LYS  11   5.498   7.382   2.055
   86    HD2  LYS  11           HD2      LYS  11   6.132   9.406   3.135
   87    HD3  LYS  11           HD1      LYS  11   6.122   9.654   1.393
   88    HE2  LYS  11           HE2      LYS  11   4.236  10.940   1.451
   89    HE3  LYS  11           HE1      LYS  11   3.701  10.278   2.981
   90    HZ1  LYS  11           HZ1      LYS  11   4.431  12.477   3.394
   91    HZ2  LYS  11           HZ2      LYS  11   5.875  12.245   2.537
   92    HZ3  LYS  11           HZ3      LYS  11   5.634  11.450   4.018
   93    H    CYS  12           HN       CYS  12   4.341   6.153  -1.234
   94    HA   CYS  12           HA       CYS  12   6.653   4.779  -0.577
   95    HB2  CYS  12           HB2      CYS  12   4.523   4.269  -2.626
   96    HB3  CYS  12           HB1      CYS  12   5.808   3.120  -2.302
   97    HG   CYS  12           HG       CYS  12   3.200   4.012  -0.345
   98    H    ALA  13           HN       ALA  13   5.883   6.639  -3.425
   99    HA   ALA  13           HA       ALA  13   8.102   5.699  -4.967
  100    HB1  ALA  13           HB1      ALA  13   6.215   8.032  -5.219
  101    HB2  ALA  13           HB2      ALA  13   6.314   6.567  -6.206
  102    HB3  ALA  13           HB3      ALA  13   7.575   7.793  -6.324
  103    H    GLN  14           HN       GLN  14   7.632   7.983  -2.469
  104    HA   GLN  14           HA       GLN  14   9.933   9.592  -3.096
  105    HB2  GLN  14           HB2      GLN  14   8.028   9.565  -0.778
  106    HB3  GLN  14           HB1      GLN  14   9.364  10.709  -0.934
  107    HG2  GLN  14           HG2      GLN  14   8.423  11.435  -3.095
  108    HG3  GLN  14           HG1      GLN  14   7.051  10.376  -2.819
  109   HE21  GLN  14          HE21      GLN  14   7.201  11.042   0.113
  110   HE22  GLN  14          HE22      GLN  14   6.455  12.600   0.239
  111    H    PHE  15           HN       PHE  15   9.177   6.906  -1.013
  112    HA   PHE  15           HA       PHE  15  11.830   7.004   0.216
  113    HB2  PHE  15           HB2      PHE  15   9.652   4.940   0.586
  114    HB3  PHE  15           HB1      PHE  15  11.124   5.087   1.540
  115    HD1  PHE  15           HD2      PHE  15  11.373   7.701   2.414
  116    HD2  PHE  15           HD1      PHE  15   7.789   5.544   1.690
  117    HE1  PHE  15           HE2      PHE  15  10.179   9.164   3.985
  118    HE2  PHE  15           HE1      PHE  15   6.584   6.998   3.240
  119    HZ   PHE  15           HZ       PHE  15   7.779   8.809   4.394
  120    H    GLY  16           HN       GLY  16   9.850   4.756  -1.697
  121    HA2  GLY  16           HA2      GLY  16  11.678   2.713  -2.057
  122    HA3  GLY  16           HA1      GLY  16  10.417   3.140  -3.202
  123    H    LYS  17           HN       LYS  17  11.043   5.364  -4.339
  124    HA   LYS  17           HA       LYS  17  13.216   4.526  -5.976
  125    HB2  LYS  17           HB2      LYS  17  11.802   7.151  -6.183
  126    HB3  LYS  17           HB1      LYS  17  12.530   6.183  -7.461
  127    HG2  LYS  17           HG2      LYS  17  10.069   5.448  -5.899
  128    HG3  LYS  17           HG1      LYS  17  10.090   6.138  -7.509
  129    HD2  LYS  17           HD2      LYS  17  11.412   4.126  -8.253
  130    HD3  LYS  17           HD1      LYS  17  11.101   3.418  -6.660
  131    HE2  LYS  17           HE2      LYS  17   9.476   2.644  -8.307
  132    HE3  LYS  17           HE1      LYS  17   8.706   3.595  -7.039
  133    HZ1  LYS  17           HZ1      LYS  17   8.973   5.537  -8.676
  134    HZ2  LYS  17           HZ2      LYS  17   7.759   4.393  -8.977
  135    HZ3  LYS  17           HZ3      LYS  17   9.207   4.338  -9.853
  136    H    GLU  18           HN       GLU  18  12.824   6.689  -3.328
  137    HA   GLU  18           HA       GLU  18  15.175   8.200  -3.561
  138    HB2  GLU  18           HB2      GLU  18  13.851   8.844  -1.788
  139    HB3  GLU  18           HB1      GLU  18  13.529   7.192  -1.285
  140    HG2  GLU  18           HG2      GLU  18  16.326   7.939  -1.018
  141    HG3  GLU  18           HG1      GLU  18  15.245   8.966  -0.079
  142    H    SER  19           HN       SER  19  14.619   4.960  -2.243
  143    HA   SER  19           HA       SER  19  17.315   4.339  -1.719
  144    HB2  SER  19           HB2      SER  19  15.098   2.449  -2.488
  145    HB3  SER  19           HB1      SER  19  16.574   2.053  -1.597
  146    HG   SER  19           HG       SER  19  15.241   4.104  -0.422
  147    H    CYS  20           HN       CYS  20  15.277   3.952  -4.544
  148    HA   CYS  20           HA       CYS  20  17.104   2.702  -6.243
  149    HB2  CYS  20           HB2      CYS  20  15.165   2.761  -7.370
  150    HB3  CYS  20           HB1      CYS  20  14.595   4.159  -6.476
  151    HG   CYS  20           HG       CYS  20  15.392   6.035  -8.197
  152    H    ASN  21           HN       ASN  21  16.608   6.131  -5.495
  153    HA   ASN  21           HA       ASN  21  18.559   7.155  -7.268
  154    HB2  ASN  21           HB2      ASN  21  17.145   8.210  -4.863
  155    HB3  ASN  21           HB1      ASN  21  18.568   9.063  -5.449
  156   HD21  ASN  21          HD21      ASN  21  15.291   8.165  -6.115
  157   HD22  ASN  21          HD22      ASN  21  15.053   9.241  -7.454
  158    H    SER  22           HN       SER  22  18.748   5.668  -4.161
  159    HA   SER  22           HA       SER  22  21.442   6.550  -3.619
  160    HB2  SER  22           HB2      SER  22  19.839   4.394  -2.232
  161    HB3  SER  22           HB1      SER  22  21.273   5.220  -1.618
  162    HG   SER  22           HG       SER  22  18.813   6.507  -2.251
  163    H    GLY  23           HN       GLY  23  20.020   4.189  -5.552
  164    HA2  GLY  23           HA2      GLY  23  21.739   3.194  -7.068
  165    HA3  GLY  23           HA1      GLY  23  22.552   2.670  -5.603
  166    H    LEU  24           HN       LEU  24  19.412   2.353  -4.848
  167    HA   LEU  24           HA       LEU  24  19.506  -0.469  -4.987
  168    HB2  LEU  24           HB2      LEU  24  17.859   1.511  -3.776
  169    HB3  LEU  24           HB1      LEU  24  16.826   0.404  -4.651
  170    HG   LEU  24           HG       LEU  24  17.299  -0.121  -2.195
  171   HD11  LEU  24          HD11      LEU  24  16.231  -1.713  -3.602
  172   HD12  LEU  24          HD12      LEU  24  17.458  -2.550  -2.653
  173   HD13  LEU  24          HD13      LEU  24  17.762  -2.166  -4.349
  174   HD21  LEU  24          HD21      LEU  24  19.353  -1.362  -1.757
  175   HD22  LEU  24          HD22      LEU  24  19.696   0.298  -2.242
  176   HD23  LEU  24          HD23      LEU  24  19.911  -1.020  -3.397
  177    H    ALA  25           HN       ALA  25  19.514  -1.446  -6.840
  178    HA   ALA  25           HA       ALA  25  18.482  -0.521  -9.267
  179    HB1  ALA  25           HB1      ALA  25  18.988  -3.365  -8.440
  180    HB2  ALA  25           HB2      ALA  25  20.211  -2.242  -9.041
  181    HB3  ALA  25           HB3      ALA  25  18.890  -2.757 -10.093
  182    H    SER  26           HN       SER  26  17.018  -2.414  -6.746
  183    HA   SER  26           HA       SER  26  14.876  -3.536  -8.032
  184    HB2  SER  26           HB2      SER  26  15.282  -2.602  -5.282
  185    HB3  SER  26           HB1      SER  26  13.749  -3.303  -5.772
  186    HG   SER  26           HG       SER  26  15.021  -4.947  -4.983
  187    H    TYR  27           HN       TYR  27  14.792  -0.407  -6.289
  188    HA   TYR  27           HA       TYR  27  12.122   0.102  -7.202
  189    HB2  TYR  27           HB2      TYR  27  13.974   2.169  -6.000
  190    HB3  TYR  27           HB1      TYR  27  12.212   2.100  -5.957
  191    HD1  TYR  27           HD2      TYR  27  11.116   0.226  -4.618
  192    HD2  TYR  27           HD1      TYR  27  15.242   1.264  -4.279
  193    HE1  TYR  27           HE2      TYR  27  11.219  -0.932  -2.460
  194    HE2  TYR  27           HE1      TYR  27  15.354   0.079  -2.127
  195    HH   TYR  27           HH       TYR  27  13.802  -0.572  -0.305
  196    H    CYS  28           HN       CYS  28  15.192   0.530  -8.586
  197    HA   CYS  28           HA       CYS  28  14.829   2.971  -9.945
  198    HB2  CYS  28           HB2      CYS  28  17.017   1.843  -9.590
  199    HB3  CYS  28           HB1      CYS  28  16.547   0.629 -10.773
  200    HG   CYS  28           HG       CYS  28  16.442   2.406 -12.919
  201    H    GLY  29           HN       GLY  29  13.147   3.322 -11.226
  202    HA2  GLY  29           HA2      GLY  29  11.785   3.153 -13.077
  203    HA3  GLY  29           HA1      GLY  29  12.826   1.864 -13.656
  204    H    ALA  30           HN       ALA  30  11.473   1.568 -10.510
  205    HA   ALA  30           HA       ALA  30   9.801  -0.648 -11.449
  206    HB1  ALA  30           HB1      ALA  30  11.406  -1.235  -9.753
  207    HB2  ALA  30           HB2      ALA  30   9.779  -1.340  -9.079
  208    HB3  ALA  30           HB3      ALA  30  10.806   0.043  -8.694
  209    H    ALA  31           HN       ALA  31   7.758  -1.003 -10.298
  210    HA   ALA  31           HA       ALA  31   6.260   1.482  -9.884
  211    HB1  ALA  31           HB1      ALA  31   5.299  -1.355 -10.195
  212    HB2  ALA  31           HB2      ALA  31   5.397  -0.158 -11.494
  213    HB3  ALA  31           HB3      ALA  31   4.296   0.099 -10.142
  214    H    ILE  32           HN       ILE  32   6.403   2.105  -7.703
  215    HA   ILE  32           HA       ILE  32   6.379  -0.106  -5.780
  216    HB   ILE  32           HB       ILE  32   8.269   1.516  -5.567
  217   HG12  ILE  32          HG12      ILE  32   6.623   1.808  -3.094
  218   HG13  ILE  32          HG11      ILE  32   6.994   0.182  -3.648
  219   HG21  ILE  32          HG21      ILE  32   6.075   3.412  -4.776
  220   HG22  ILE  32          HG22      ILE  32   7.112   3.528  -6.202
  221   HG23  ILE  32          HG23      ILE  32   7.803   3.707  -4.584
  222   HD11  ILE  32          HD11      ILE  32   9.345   0.609  -3.494
  223   HD12  ILE  32          HD12      ILE  32   8.566   1.034  -1.964
  224   HD13  ILE  32          HD13      ILE  32   9.043   2.304  -3.091
  225    H    TYR  33           HN       TYR  33   4.929  -0.296  -4.194
  226    HA   TYR  33           HA       TYR  33   2.581   1.481  -4.327
  227    HB2  TYR  33           HB2      TYR  33   2.528  -1.535  -4.163
  228    HB3  TYR  33           HB1      TYR  33   1.134  -0.468  -4.218
  229    HD1  TYR  33           HD1      TYR  33   0.665   0.824  -6.319
  230    HD2  TYR  33           HD2      TYR  33   3.608  -2.240  -6.137
  231    HE1  TYR  33           HE1      TYR  33   0.616   0.628  -8.778
  232    HE2  TYR  33           HE2      TYR  33   3.586  -2.432  -8.578
  233    HH   TYR  33           HH       TYR  33   2.163  -1.969 -10.455
  234    H    ALA  34           HN       ALA  34   1.359   1.622  -2.425
  235    HA   ALA  34           HA       ALA  34   2.802   0.953   0.012
  236    HB1  ALA  34           HB1      ALA  34   1.473   3.122  -0.471
  237    HB2  ALA  34           HB2      ALA  34   1.382   2.378   1.134
  238    HB3  ALA  34           HB3      ALA  34   0.062   2.143  -0.027
  239    H    ARG  35           HN       ARG  35   2.544  -0.975   0.926
  240    HA   ARG  35           HA       ARG  35  -0.184  -2.012   0.990
  241    HB2  ARG  35           HB2      ARG  35   1.630  -3.168  -0.669
  242    HB3  ARG  35           HB1      ARG  35   1.932  -4.081   0.801
  243    HG2  ARG  35           HG2      ARG  35   0.308  -5.211  -0.576
  244    HG3  ARG  35           HG1      ARG  35  -0.436  -4.663   0.925
  245    HD2  ARG  35           HD2      ARG  35  -1.908  -4.219  -0.947
  246    HD3  ARG  35           HD1      ARG  35  -1.337  -2.701  -0.258
  247    HE   ARG  35           HE       ARG  35   0.391  -3.421  -2.335
  248   HH11  ARG  35          HH11      ARG  35  -2.966  -2.489  -1.991
  249   HH12  ARG  35          HH12      ARG  35  -3.047  -1.759  -3.566
  250   HH21  ARG  35          HH21      ARG  35   0.260  -2.446  -4.409
  251   HH22  ARG  35          HH22      ARG  35  -1.236  -1.735  -4.923
  252    H    TYR  36           HN       TYR  36  -0.799  -2.131   2.969
  253    HA   TYR  36           HA       TYR  36   0.945  -2.348   5.240
  254    HB2  TYR  36           HB2      TYR  36  -1.353  -1.238   5.188
  255    HB3  TYR  36           HB1      TYR  36  -2.041  -2.855   5.128
  256    HD1  TYR  36           HD1      TYR  36   0.275  -0.774   7.118
  257    HD2  TYR  36           HD2      TYR  36  -2.556  -3.950   7.138
  258    HE1  TYR  36           HE1      TYR  36   0.408  -0.839   9.555
  259    HE2  TYR  36           HE2      TYR  36  -2.449  -4.020   9.591
  260    HH   TYR  36           HH       TYR  36  -1.039  -1.555  11.442
  261    H    ASP  37           HN       ASP  37   2.111  -4.246   4.760
  262    HA   ASP  37           HA       ASP  37   0.720  -6.725   5.249
  263    HB2  ASP  37           HB2      ASP  37   1.050  -6.041   2.602
  264    HB3  ASP  37           HB1      ASP  37   2.507  -6.979   2.931
  265    H    LYS  38           HN       LYS  38   2.759  -8.488   4.637
  266    HA   LYS  38           HA       LYS  38   4.549  -7.905   6.797
  267    HB2  LYS  38           HB2      LYS  38   3.519 -10.093   6.393
  268    HB3  LYS  38           HB1      LYS  38   4.356 -10.209   4.862
  269    HG2  LYS  38           HG2      LYS  38   6.454  -9.889   6.318
  270    HG3  LYS  38           HG1      LYS  38   5.397 -10.431   7.624
  271    HD2  LYS  38           HD2      LYS  38   6.000 -11.874   5.066
  272    HD3  LYS  38           HD1      LYS  38   6.541 -12.332   6.690
  273    HE2  LYS  38           HE2      LYS  38   4.113 -12.544   7.300
  274    HE3  LYS  38           HE1      LYS  38   3.741 -12.329   5.588
  275    HZ1  LYS  38           HZ1      LYS  38   5.228 -14.289   5.177
  276    HZ2  LYS  38           HZ2      LYS  38   3.788 -14.635   5.997
  277    HZ3  LYS  38           HZ3      LYS  38   5.249 -14.543   6.855
  278    H    GLY  39           HN       GLY  39   6.809  -7.954   6.608
  279    HA2  GLY  39           HA2      GLY  39   7.781  -6.937   4.024
  280    HA3  GLY  39           HA1      GLY  39   8.553  -6.657   5.579
  281    H    ASN  40           HN       ASN  40  10.502  -7.580   5.437
  282    HA   ASN  40           HA       ASN  40  11.037  -9.998   4.036
  283    HB2  ASN  40           HB2      ASN  40  12.777  -8.293   4.465
  284    HB3  ASN  40           HB1      ASN  40  12.641  -8.589   6.199
  285   HD21  ASN  40          HD21      ASN  40  14.805  -9.146   6.366
  286   HD22  ASN  40          HD22      ASN  40  15.421 -10.650   5.748
  287    H    SER  41           HN       SER  41  12.032 -11.939   5.322
  288    HA   SER  41           HA       SER  41   9.895 -13.146   6.616
  289    HB2  SER  41           HB2      SER  41  11.842 -14.293   5.504
  290    HB3  SER  41           HB1      SER  41  12.785 -13.962   6.958
  291    HG   SER  41           HG       SER  41  10.282 -15.281   7.072
  292    H    SER  42           HN       SER  42  12.834 -11.759   8.082
  293    HA   SER  42           HA       SER  42  11.932 -12.269  10.758
  294    HB2  SER  42           HB2      SER  42  14.156 -10.441   9.821
  295    HB3  SER  42           HB1      SER  42  13.950 -11.112  11.440
  296    HG   SER  42           HG       SER  42  15.364 -12.464  10.505
  297    H    GLN  43           HN       GLN  43  11.035 -10.056   8.484
  298    HA   GLN  43           HA       GLN  43  10.479  -7.910  10.414
  299    HB2  GLN  43           HB2      GLN  43  10.619  -7.754   7.397
  300    HB3  GLN  43           HB1      GLN  43  10.282  -6.410   8.477
  301    HG2  GLN  43           HG2      GLN  43  12.843  -7.952   8.216
  302    HG3  GLN  43           HG1      GLN  43  12.552  -6.266   7.794
  303   HE21  GLN  43          HE21      GLN  43  12.324  -4.739   9.470
  304   HE22  GLN  43          HE22      GLN  43  12.928  -5.060  11.063
  305    H    GLN  44           HN       GLN  44   8.902 -10.292  10.175
  306    HA   GLN  44           HA       GLN  44   6.655 -10.027   8.547
  307    HB2  GLN  44           HB2      GLN  44   5.627 -11.732   9.860
  308    HB3  GLN  44           HB1      GLN  44   7.324 -12.118   9.680
  309    HG2  GLN  44           HG2      GLN  44   6.019 -10.907  12.084
  310    HG3  GLN  44           HG1      GLN  44   6.427 -12.600  11.895
  311   HE21  GLN  44          HE21      GLN  44   8.987 -12.280  10.720
  312   HE22  GLN  44          HE22      GLN  44  10.035 -11.625  11.932
  313    H    THR  45           HN       THR  45   4.455 -10.342  10.321
  314    HA   THR  45           HA       THR  45   2.685  -9.140  10.953
  315    HB   THR  45           HB       THR  45   2.941  -7.320  12.614
  316    HG1  THR  45           HG1      THR  45   5.492  -7.318  11.756
  317   HG21  THR  45          HG21      THR  45   2.732  -9.626  13.324
  318   HG22  THR  45          HG22      THR  45   3.809  -8.745  14.406
  319   HG23  THR  45          HG23      THR  45   4.478  -9.843  13.199
  320    H    LYS  46           HN       LYS  46   1.361  -7.722  10.007
  321    HA   LYS  46           HA       LYS  46   2.400  -6.225   7.837
  322    HB2  LYS  46           HB2      LYS  46  -0.354  -6.025   9.004
  323    HB3  LYS  46           HB1      LYS  46   0.149  -5.454   7.434
  324    HG2  LYS  46           HG2      LYS  46   0.813  -8.001   7.135
  325    HG3  LYS  46           HG1      LYS  46  -0.452  -8.199   8.346
  326    HD2  LYS  46           HD2      LYS  46  -1.940  -6.809   6.893
  327    HD3  LYS  46           HD1      LYS  46  -0.688  -6.833   5.674
  328    HE2  LYS  46           HE2      LYS  46  -0.797  -9.387   5.863
  329    HE3  LYS  46           HE1      LYS  46  -2.327  -9.115   6.691
  330    HZ1  LYS  46           HZ1      LYS  46  -2.749  -9.468   4.369
  331    HZ2  LYS  46           HZ2      LYS  46  -1.627  -8.278   3.925
  332    HZ3  LYS  46           HZ3      LYS  46  -3.057  -7.841   4.719
  333    H    GLU  47           HN       GLU  47   3.193  -4.325   7.820
  334    HA   GLU  47           HA       GLU  47   2.004  -2.176   9.390
  335    HB2  GLU  47           HB2      GLU  47   5.001  -2.584   9.182
  336    HB3  GLU  47           HB1      GLU  47   4.194  -1.181   9.878
  337    HG2  GLU  47           HG2      GLU  47   3.278  -2.520  11.642
  338    HG3  GLU  47           HG1      GLU  47   3.893  -3.980  10.892
  339    H    TRP  48           HN       TRP  48   2.140  -0.179   8.251
  340    HA   TRP  48           HA       TRP  48   2.055  -0.372   5.495
  341    HB2  TRP  48           HB2      TRP  48   2.450   1.939   7.348
  342    HB3  TRP  48           HB1      TRP  48   2.571   2.154   5.606
  343    HD1  TRP  48           HD1      TRP  48   0.108   2.397   8.264
  344    HE1  TRP  48           HE1      TRP  48  -2.272   2.346   7.282
  345    HE3  TRP  48           HE3      TRP  48   1.179   0.654   3.582
  346    HZ2  TRP  48           HZ2      TRP  48  -3.538   1.607   4.862
  347    HZ3  TRP  48           HZ3      TRP  48  -0.666   0.288   2.005
  348    HH2  TRP  48           HH2      TRP  48  -2.974   0.752   2.633
  349    H    ARG  49           HN       ARG  49   3.612  -0.962   4.212
  350    HA   ARG  49           HA       ARG  49   6.236   0.278   4.577
  351    HB2  ARG  49           HB2      ARG  49   5.627  -2.617   3.948
  352    HB3  ARG  49           HB1      ARG  49   7.208  -1.891   3.697
  353    HG2  ARG  49           HG2      ARG  49   7.535  -1.557   5.999
  354    HG3  ARG  49           HG1      ARG  49   5.843  -1.871   6.369
  355    HD2  ARG  49           HD2      ARG  49   6.150  -4.200   5.614
  356    HD3  ARG  49           HD1      ARG  49   7.856  -3.859   5.336
  357    HE   ARG  49           HE       ARG  49   8.022  -3.437   7.750
  358   HH11  ARG  49          HH11      ARG  49   5.313  -5.289   6.573
  359   HH12  ARG  49          HH12      ARG  49   5.078  -6.124   8.082
  360   HH21  ARG  49          HH21      ARG  49   7.720  -4.550   9.728
  361   HH22  ARG  49          HH22      ARG  49   6.447  -5.725   9.844
  362    H    CYS  50           HN       CYS  50   7.476   0.219   2.520
  363    HA   CYS  50           HA       CYS  50   5.627   0.640   0.289
  364    HB2  CYS  50           HB2      CYS  50   8.553   1.404   0.583
  365    HB3  CYS  50           HB1      CYS  50   7.480   1.882  -0.733
  366    HG   CYS  50           HG       CYS  50   5.757   3.261   1.167
  367    H    TYR  51           HN       TYR  51   5.457  -0.921  -1.118
  368    HA   TYR  51           HA       TYR  51   7.660  -2.859  -1.412
  369    HB2  TYR  51           HB2      TYR  51   4.695  -3.371  -1.667
  370    HB3  TYR  51           HB1      TYR  51   5.961  -4.565  -1.889
  371    HD1  TYR  51           HD1      TYR  51   7.688  -4.147   0.417
  372    HD2  TYR  51           HD2      TYR  51   3.466  -3.998   0.103
  373    HE1  TYR  51           HE1      TYR  51   7.503  -4.748   2.795
  374    HE2  TYR  51           HE2      TYR  51   3.257  -4.590   2.481
  375    HH   TYR  51           HH       TYR  51   4.681  -5.796   4.194
  376    H    ILE  52           HN       ILE  52   8.516  -2.669  -3.418
  377    HA   ILE  52           HA       ILE  52   7.038  -1.421  -5.501
  378    HB   ILE  52           HB       ILE  52   8.934  -2.537  -6.943
  379   HG12  ILE  52          HG12      ILE  52  10.096  -2.497  -4.198
  380   HG13  ILE  52          HG11      ILE  52   9.753  -3.950  -5.149
  381   HG21  ILE  52          HG21      ILE  52   9.558  -0.313  -5.021
  382   HG22  ILE  52          HG22      ILE  52   8.564  -0.119  -6.471
  383   HG23  ILE  52          HG23      ILE  52  10.261  -0.579  -6.619
  384   HD11  ILE  52          HD11      ILE  52  11.560  -1.746  -6.111
  385   HD12  ILE  52          HD12      ILE  52  11.367  -3.392  -6.761
  386   HD13  ILE  52          HD13      ILE  52  12.132  -3.149  -5.192
  387    H    GLU  53           HN       GLU  53   6.341  -2.456  -7.485
  388    HA   GLU  53           HA       GLU  53   4.575  -4.505  -7.077
  389    HB2  GLU  53           HB2      GLU  53   4.498  -3.033  -9.000
  390    HB3  GLU  53           HB1      GLU  53   5.962  -3.753  -9.654
  391    HG2  GLU  53           HG2      GLU  53   4.828  -5.878  -9.902
  392    HG3  GLU  53           HG1      GLU  53   3.362  -5.188  -9.182
  393    H    LYS  54           HN       LYS  54   7.940  -4.684  -7.925
  394    HA   LYS  54           HA       LYS  54   8.415  -7.263  -8.612
  395    HB2  LYS  54           HB2      LYS  54   9.862  -5.349  -6.807
  396    HB3  LYS  54           HB1      LYS  54  10.506  -6.953  -7.050
  397    HG2  LYS  54           HG2      LYS  54  10.502  -6.487  -9.516
  398    HG3  LYS  54           HG1      LYS  54  10.069  -4.821  -9.120
  399    HD2  LYS  54           HD2      LYS  54  12.474  -5.009  -9.448
  400    HD3  LYS  54           HD1      LYS  54  12.117  -4.635  -7.762
  401    HE2  LYS  54           HE2      LYS  54  12.359  -7.015  -7.199
  402    HE3  LYS  54           HE1      LYS  54  12.771  -7.361  -8.875
  403    HZ1  LYS  54           HZ1      LYS  54  14.752  -7.194  -7.539
  404    HZ2  LYS  54           HZ2      LYS  54  14.324  -5.644  -7.011
  405    HZ3  LYS  54           HZ3      LYS  54  14.711  -5.902  -8.641
  406    H    GLU  55           HN       GLU  55   7.607  -6.036  -5.441
  407    HA   GLU  55           HA       GLU  55   8.312  -8.549  -4.141
  408    HB2  GLU  55           HB2      GLU  55   7.523  -5.876  -2.988
  409    HB3  GLU  55           HB1      GLU  55   8.215  -7.216  -2.094
  410    HG2  GLU  55           HG2      GLU  55   9.570  -5.773  -4.363
  411    HG3  GLU  55           HG1      GLU  55   9.862  -5.444  -2.653
  412    H    LEU  56           HN       LEU  56   5.479  -6.818  -5.122
  413    HA   LEU  56           HA       LEU  56   3.757  -8.076  -3.186
  414    HB2  LEU  56           HB2      LEU  56   3.230  -6.359  -5.591
  415    HB3  LEU  56           HB1      LEU  56   1.948  -7.114  -4.681
  416    HG   LEU  56           HG       LEU  56   2.765  -5.842  -2.632
  417   HD11  LEU  56          HD11      LEU  56   4.165  -3.896  -3.120
  418   HD12  LEU  56          HD12      LEU  56   4.345  -4.426  -4.793
  419   HD13  LEU  56          HD13      LEU  56   5.019  -5.395  -3.482
  420   HD21  LEU  56          HD21      LEU  56   1.789  -4.434  -5.128
  421   HD22  LEU  56          HD22      LEU  56   1.851  -3.673  -3.530
  422   HD23  LEU  56          HD23      LEU  56   0.823  -5.087  -3.793
  423    H    ASP  57           HN       ASP  57   1.951  -9.332  -3.813
  424    HA   ASP  57           HA       ASP  57   2.248 -10.809  -6.345
  425    HB2  ASP  57           HB2      ASP  57   2.821 -12.273  -4.425
  426    HB3  ASP  57           HB1      ASP  57   1.252 -11.929  -3.711
  427    H    PHE  58           HN       PHE  58   0.618 -10.322  -7.630
  428    HA   PHE  58           HA       PHE  58  -1.783  -9.120  -6.568
  429    HB2  PHE  58           HB2      PHE  58  -0.681  -9.603  -9.300
  430    HB3  PHE  58           HB1      PHE  58  -2.391  -9.223  -9.111
  431    HD1  PHE  58           HD1      PHE  58   1.019  -7.970  -8.307
  432    HD2  PHE  58           HD2      PHE  58  -3.107  -7.058  -8.797
  433    HE1  PHE  58           HE1      PHE  58   1.558  -5.572  -8.205
  434    HE2  PHE  58           HE2      PHE  58  -2.579  -4.647  -8.709
  435    HZ   PHE  58           HZ       PHE  58  -0.249  -3.905  -8.409
  436    H    SER  59           HN       SER  59  -0.793 -12.223  -6.825
  437    HA   SER  59           HA       SER  59  -3.420 -13.328  -7.378
  438    HB2  SER  59           HB2      SER  59  -1.319 -14.500  -8.079
  439    HB3  SER  59           HB1      SER  59  -1.003 -14.789  -6.375
  440    HG   SER  59           HG       SER  59  -3.436 -15.537  -7.601
  441    H    LYS  60           HN       LYS  60  -1.804 -11.850  -4.949
  442    HA   LYS  60           HA       LYS  60  -3.454 -13.048  -2.838
  443    HB2  LYS  60           HB2      LYS  60  -0.844 -11.728  -2.882
  444    HB3  LYS  60           HB1      LYS  60  -1.948 -11.039  -1.719
  445    HG2  LYS  60           HG2      LYS  60  -0.855 -12.605  -0.457
  446    HG3  LYS  60           HG1      LYS  60  -2.307 -13.476  -0.945
  447    HD2  LYS  60           HD2      LYS  60   0.226 -13.650  -2.543
  448    HD3  LYS  60           HD1      LYS  60  -0.029 -14.666  -1.126
  449    HE2  LYS  60           HE2      LYS  60  -2.016 -15.616  -2.126
  450    HE3  LYS  60           HE1      LYS  60  -1.875 -14.526  -3.505
  451    HZ1  LYS  60           HZ1      LYS  60   0.111 -16.601  -2.753
  452    HZ2  LYS  60           HZ2      LYS  60   0.200 -15.574  -4.100
  453    HZ3  LYS  60           HZ3      LYS  60  -1.029 -16.744  -4.001
  454    H    SER  61           HN       SER  61  -5.273 -11.972  -2.273
  455    HA   SER  61           HA       SER  61  -5.796  -9.411  -3.431
  456    HB2  SER  61           HB2      SER  61  -7.847  -9.458  -2.022
  457    HB3  SER  61           HB1      SER  61  -7.675 -10.865  -3.070
  458    HG   SER  61           HG       SER  61  -7.253 -10.678  -0.269
  459    H    GLY  62           HN       GLY  62  -5.323  -7.512  -2.627
  460    HA2  GLY  62           HA2      GLY  62  -3.622  -7.464  -0.302
  461    HA3  GLY  62           HA1      GLY  62  -3.957  -6.120  -1.388
  462    H    ASP  63           HN       ASP  63  -5.370  -8.078   1.181
  463    HA   ASP  63           HA       ASP  63  -7.285  -6.043   1.890
  464    HB2  ASP  63           HB2      ASP  63  -6.340  -8.515   3.376
  465    HB3  ASP  63           HB1      ASP  63  -7.657  -7.476   3.905
  466    H    GLY  64           HN       GLY  64  -4.574  -5.249   1.658
  467    HA2  GLY  64           HA2      GLY  64  -4.074  -4.206   4.352
  468    HA3  GLY  64           HA1      GLY  64  -2.756  -4.924   3.437
  469    H    CYS  65           HN       CYS  65  -5.298  -3.110   1.922
  470    HA   CYS  65           HA       CYS  65  -3.382  -0.949   1.291
  471    HB2  CYS  65           HB2      CYS  65  -6.140  -1.323   0.105
  472    HB3  CYS  65           HB1      CYS  65  -4.769  -0.444  -0.567
  473    HG   CYS  65           HG       CYS  65  -5.302  -3.802  -0.501
  474    H    VAL  66           HN       VAL  66  -4.914   1.165   0.972
  475    HA   VAL  66           HA       VAL  66  -6.881   1.238   3.138
  476    HB   VAL  66           HB       VAL  66  -5.188   2.479   4.155
  477   HG11  VAL  66          HG11      VAL  66  -3.665   2.534   2.264
  478   HG12  VAL  66          HG12      VAL  66  -3.812   4.140   2.990
  479   HG13  VAL  66          HG13      VAL  66  -4.659   3.770   1.484
  480   HG21  VAL  66          HG21      VAL  66  -7.379   3.699   3.927
  481   HG22  VAL  66          HG22      VAL  66  -6.607   4.653   2.656
  482   HG23  VAL  66          HG23      VAL  66  -5.969   4.696   4.304
  483    H    ASP  67           HN       ASP  67  -8.644   2.466   2.674
  484    HA   ASP  67           HA       ASP  67  -9.099   2.735  -0.172
  485    HB2  ASP  67           HB2      ASP  67 -10.662   1.726   1.668
  486    HB3  ASP  67           HB1      ASP  67 -11.124   3.406   1.920
  487    H    ASP  68           HN       ASP  68 -11.076   4.957   0.164
  488    HA   ASP  68           HA       ASP  68  -9.164   7.091  -0.052
  489    HB2  ASP  68           HB2      ASP  68 -11.111   8.637  -0.199
  490    HB3  ASP  68           HB1      ASP  68 -11.141   7.346  -1.386
  491    H    CYS  69           HN       CYS  69 -11.180   5.880   2.544
  492    HA   CYS  69           HA       CYS  69 -10.058   7.937   4.303
  493    HB2  CYS  69           HB2      CYS  69 -11.658   6.113   5.731
  494    HB3  CYS  69           HB1      CYS  69 -12.093   7.753   5.272
  495    HG   CYS  69           HG       CYS  69 -13.025   6.711   2.679
  496    H    GLY  70           HN       GLY  70  -9.072   7.060   6.396
  497    HA2  GLY  70           HA2      GLY  70  -7.129   5.063   5.633
  498    HA3  GLY  70           HA1      GLY  70  -7.158   5.931   7.166
  499    H    SER  71           HN       SER  71  -8.859   3.510   5.319
  500    HA   SER  71           HA       SER  71  -8.930   1.740   7.645
  501    HB2  SER  71           HB2      SER  71 -11.199   2.706   7.349
  502    HB3  SER  71           HB1      SER  71 -11.198   2.176   5.669
  503    HG   SER  71           HG       SER  71 -11.621   0.197   6.275
  504    H    MET  72           HN       MET  72  -8.295  -0.343   7.074
  505    HA   MET  72           HA       MET  72  -6.903  -0.419   4.628
  506    HB2  MET  72           HB2      MET  72  -6.211  -2.688   5.278
  507    HB3  MET  72           HB1      MET  72  -5.845  -1.426   6.452
  508    HG2  MET  72           HG2      MET  72  -7.985  -2.024   7.552
  509    HG3  MET  72           HG1      MET  72  -8.010  -3.453   6.534
  510    HE1  MET  72           HE1      MET  72  -4.751  -2.576   9.685
  511    HE2  MET  72           HE2      MET  72  -6.177  -1.568   9.438
  512    HE3  MET  72           HE3      MET  72  -4.929  -1.651   8.194
  513    H    THR  73           HN       THR  73  -7.706  -0.749   2.773
  514    HA   THR  73           HA       THR  73 -10.181  -2.273   2.495
  515    HB   THR  73           HB       THR  73 -10.118   0.077   1.662
  516    HG1  THR  73           HG1      THR  73 -11.259  -0.414  -0.168
  517   HG21  THR  73          HG21      THR  73  -8.331  -0.991  -0.521
  518   HG22  THR  73          HG22      THR  73  -7.756  -0.021   0.837
  519   HG23  THR  73          HG23      THR  73  -8.913   0.665  -0.306
  520    H    SER  74           HN       SER  74 -10.369  -3.472   0.359
  521    HA   SER  74           HA       SER  74  -8.029  -5.189   0.180
  522    HB2  SER  74           HB2      SER  74 -10.794  -5.782  -0.776
  523    HB3  SER  74           HB1      SER  74  -9.491  -6.929  -0.511
  524    HG   SER  74           HG       SER  74  -9.871  -6.910   1.583
  525    H    CYS  75           HN       CYS  75  -6.766  -4.954  -1.523
  526    HA   CYS  75           HA       CYS  75  -7.892  -4.824  -4.188
  527    HB2  CYS  75           HB2      CYS  75  -7.679  -2.445  -3.596
  528    HB3  CYS  75           HB1      CYS  75  -5.991  -2.704  -3.186
  529    HG   CYS  75           HG       CYS  75  -6.295  -1.317  -5.663
  530    H    ARG  76           HN       ARG  76  -6.626  -5.896  -5.633
  531    HA   ARG  76           HA       ARG  76  -4.960  -7.818  -4.452
  532    HB2  ARG  76           HB2      ARG  76  -5.630  -7.159  -7.287
  533    HB3  ARG  76           HB1      ARG  76  -4.406  -8.353  -6.915
  534    HG2  ARG  76           HG2      ARG  76  -6.375  -9.564  -7.183
  535    HG3  ARG  76           HG1      ARG  76  -6.096  -9.467  -5.451
  536    HD2  ARG  76           HD2      ARG  76  -8.181  -8.752  -5.309
  537    HD3  ARG  76           HD1      ARG  76  -7.531  -7.237  -5.923
  538    HE   ARG  76           HE       ARG  76  -8.074  -8.401  -8.210
  539   HH11  ARG  76          HH11      ARG  76 -10.023  -8.380  -5.295
  540   HH12  ARG  76          HH12      ARG  76 -11.533  -8.513  -6.147
  541   HH21  ARG  76          HH21      ARG  76 -10.032  -8.591  -9.326
  542   HH22  ARG  76          HH22      ARG  76 -11.537  -8.653  -8.454
  543    H    GLY  77           HN       GLY  77  -2.938  -7.806  -3.908
  544    HA2  GLY  77           HA2      GLY  77  -0.708  -7.344  -5.246
  545    HA3  GLY  77           HA1      GLY  77  -1.168  -5.703  -4.856
  546    H    SER  78           HN       SER  78  -0.263  -8.795  -3.459
  547    HA   SER  78           HA       SER  78   0.588  -7.324  -1.080
  548    HB2  SER  78           HB2      SER  78  -1.583  -9.327  -1.196
  549    HB3  SER  78           HB1      SER  78  -0.478  -9.450   0.168
  550    HG   SER  78           HG       SER  78  -1.283  -7.683   0.989
  551    H    VAL  79           HN       VAL  79   1.988  -8.267   0.248
  552    HA   VAL  79           HA       VAL  79   4.063  -9.623  -0.988
  553    HB   VAL  79           HB       VAL  79   3.463  -8.975   1.867
  554   HG11  VAL  79          HG11      VAL  79   5.873  -9.449   2.324
  555   HG12  VAL  79          HG12      VAL  79   5.942 -10.256   0.755
  556   HG13  VAL  79          HG13      VAL  79   4.881 -10.876   2.024
  557   HG21  VAL  79          HG21      VAL  79   5.337  -7.795  -0.178
  558   HG22  VAL  79          HG22      VAL  79   5.242  -7.288   1.507
  559   HG23  VAL  79          HG23      VAL  79   3.849  -7.073   0.443
  560    H    SER  80           HN       SER  80   3.912 -11.658  -1.679
  561    HA   SER  80           HA       SER  80   2.380 -13.660  -0.296
  562    HB2  SER  80           HB2      SER  80   3.370 -15.144  -2.128
  563    HB3  SER  80           HB1      SER  80   2.336 -13.815  -2.655
  564    HG   SER  80           HG       SER  80   4.557 -14.212  -3.680
  565    H    GLY  81           HN       GLY  81   5.779 -13.555  -1.337
  566    HA2  GLY  81           HA2      GLY  81   6.506 -15.061   1.090
  567    HA3  GLY  81           HA1      GLY  81   7.509 -14.921  -0.354
  568    HA   PRO  82           HA       PRO  82   8.799 -11.919   3.162
  569    HB2  PRO  82           HB2      PRO  82  11.428 -12.539   2.565
  570    HB3  PRO  82           HB1      PRO  82  10.519 -13.098   3.960
  571    HG2  PRO  82           HG2      PRO  82  11.017 -14.475   1.347
  572    HG3  PRO  82           HG1      PRO  82  10.940 -15.158   2.984
  573    HD2  PRO  82           HD2      PRO  82   8.918 -15.469   1.306
  574    HD3  PRO  82           HD1      PRO  82   8.601 -15.087   3.016
  575    H    SER  83           HN       SER  83   8.715  -9.922   2.430
  576    HA   SER  83           HA       SER  83   9.521  -9.221  -0.243
  577    HB2  SER  83           HB2      SER  83   7.546  -8.188   0.790
  578    HB3  SER  83           HB1      SER  83   8.561  -7.502   2.059
  579    HG   SER  83           HG       SER  83   8.946  -6.966  -0.698
  580    H    THR  84           HN       THR  84  11.395  -8.334  -0.864
  581    HA   THR  84           HA       THR  84  13.351  -7.735   1.263
  582    HB   THR  84           HB       THR  84  14.105  -8.081  -1.615
  583    HG1  THR  84           HG1      THR  84  12.795  -9.933  -0.802
  584   HG21  THR  84          HG21      THR  84  16.188  -8.932  -0.546
  585   HG22  THR  84          HG22      THR  84  15.471  -8.599   1.035
  586   HG23  THR  84          HG23      THR  84  15.801  -7.275  -0.083
  587    H    SER  85           HN       SER  85  12.347  -6.657  -1.986
  588    HA   SER  85           HA       SER  85  13.632  -4.110  -1.683
  589    HB2  SER  85           HB2      SER  85  11.512  -4.847  -3.726
  590    HB3  SER  85           HB1      SER  85  12.753  -3.602  -3.863
  591    HG   SER  85           HG       SER  85  12.920  -6.359  -4.220
  592    H    HIS  86           HN       HIS  86  12.680  -3.292   0.258
  593    HA   HIS  86           HA       HIS  86  10.096  -2.082  -0.073
  594    HB2  HIS  86           HB2      HIS  86   8.923  -3.221   1.635
  595    HB3  HIS  86           HB1      HIS  86   9.626  -4.479   0.623
  596    HD1  HIS  86           HD1      HIS  86  12.088  -5.356   1.681
  597    HD2  HIS  86           HD2      HIS  86   9.334  -3.628   4.266
  598    HE1  HIS  86           HE1      HIS  86  12.782  -6.075   3.984
  599    HE2  HIS  86           HE2      HIS  86  11.296  -4.748   5.528
  600    H    LEU  87           HN       LEU  87   9.521  -0.676   1.660
  601    HA   LEU  87           HA       LEU  87  11.677  -0.066   3.574
  602    HB2  LEU  87           HB2      LEU  87  10.060   1.888   1.939
  603    HB3  LEU  87           HB1      LEU  87  11.052   2.356   3.303
  604    HG   LEU  87           HG       LEU  87  12.824   0.966   1.727
  605   HD11  LEU  87          HD11      LEU  87  10.985   2.530  -0.068
  606   HD12  LEU  87          HD12      LEU  87  11.234   0.782  -0.083
  607   HD13  LEU  87          HD13      LEU  87  12.551   1.866  -0.532
  608   HD21  LEU  87          HD21      LEU  87  13.732   3.173   1.182
  609   HD22  LEU  87          HD22      LEU  87  13.263   3.057   2.878
  610   HD23  LEU  87          HD23      LEU  87  12.234   3.921   1.734
  611    H    THR  88           HN       THR  88  10.883  -0.367   5.579
  612    HA   THR  88           HA       THR  88   8.044  -0.271   6.069
  613    HB   THR  88           HB       THR  88  10.192  -0.381   8.175
  614    HG1  THR  88           HG1      THR  88  10.323  -2.546   7.854
  615   HG21  THR  88          HG21      THR  88   7.940   0.053   8.997
  616   HG22  THR  88          HG22      THR  88   8.485  -1.563   9.463
  617   HG23  THR  88          HG23      THR  88   7.349  -1.368   8.129
  618    H    ARG  89           HN       ARG  89   7.477   1.841   5.520
  619    HA   ARG  89           HA       ARG  89   8.174   3.754   7.656
  620    HB2  ARG  89           HB2      ARG  89   7.092   4.501   4.945
  621    HB3  ARG  89           HB1      ARG  89   7.858   5.544   6.129
  622    HG2  ARG  89           HG2      ARG  89   9.412   3.324   4.908
  623    HG3  ARG  89           HG1      ARG  89   9.137   4.808   4.003
  624    HD2  ARG  89           HD2      ARG  89  10.034   6.041   6.026
  625    HD3  ARG  89           HD1      ARG  89  10.571   4.467   6.618
  626    HE   ARG  89           HE       ARG  89  11.436   5.066   3.940
  627   HH11  ARG  89          HH11      ARG  89  12.198   5.358   7.346
  628   HH12  ARG  89          HH12      ARG  89  13.899   5.622   7.060
  629   HH21  ARG  89          HH21      ARG  89  13.662   5.456   3.570
  630   HH22  ARG  89          HH22      ARG  89  14.718   5.701   4.924
  631    HA   PRO  90           HA       PRO  90   3.695   2.481   7.643
  632    HB2  PRO  90           HB2      PRO  90   3.954   1.829  10.441
  633    HB3  PRO  90           HB1      PRO  90   3.520   0.774   9.114
  634    HG2  PRO  90           HG2      PRO  90   5.874   0.582  10.477
  635    HG3  PRO  90           HG1      PRO  90   5.646   0.063   8.803
  636    HD2  PRO  90           HD2      PRO  90   6.941   2.521   9.844
  637    HD3  PRO  90           HD1      PRO  90   7.346   1.541   8.443
  638    H    SER  91           HN       SER  91   5.594   4.306   9.913
  639    HA   SER  91           HA       SER  91   3.545   5.867  11.049
  640    HB2  SER  91           HB2      SER  91   6.320   6.900  10.531
  641    HB3  SER  91           HB1      SER  91   5.297   7.129  11.955
  642    HG   SER  91           HG       SER  91   6.187   5.419  12.786
  643    H    GLU  92           HN       GLU  92   5.376   6.068   8.087
  644    HA   GLU  92           HA       GLU  92   4.557   8.784   7.542
  645    HB2  GLU  92           HB2      GLU  92   6.603   6.940   6.601
  646    HB3  GLU  92           HB1      GLU  92   5.879   7.876   5.298
  647    HG2  GLU  92           HG2      GLU  92   7.057   9.038   7.813
  648    HG3  GLU  92           HG1      GLU  92   7.898   8.919   6.268
  649    H    LEU  93           HN       LEU  93   3.943   5.547   6.186
  650    HA   LEU  93           HA       LEU  93   2.276   6.414   4.083
  651    HB2  LEU  93           HB2      LEU  93   2.556   3.868   5.594
  652    HB3  LEU  93           HB1      LEU  93   1.149   4.077   4.579
  653    HG   LEU  93           HG       LEU  93   2.717   2.861   3.304
  654   HD11  LEU  93          HD11      LEU  93   1.590   4.598   2.053
  655   HD12  LEU  93          HD12      LEU  93   3.226   4.356   1.439
  656   HD13  LEU  93          HD13      LEU  93   2.863   5.747   2.462
  657   HD21  LEU  93          HD21      LEU  93   4.724   3.306   4.597
  658   HD22  LEU  93          HD22      LEU  93   4.770   4.960   3.987
  659   HD23  LEU  93          HD23      LEU  93   5.009   3.605   2.882
  660    H    GLN  94           HN       GLN  94   1.511   5.468   7.416
  661    HA   GLN  94           HA       GLN  94  -1.318   5.799   7.115
  662    HB2  GLN  94           HB2      GLN  94   0.010   4.410   8.856
  663    HB3  GLN  94           HB1      GLN  94   0.193   5.934   9.711
  664    HG2  GLN  94           HG2      GLN  94  -1.605   4.669  10.649
  665    HG3  GLN  94           HG1      GLN  94  -2.248   6.117   9.882
  666   HE21  GLN  94          HE21      GLN  94  -3.748   5.882   8.237
  667   HE22  GLN  94          HE22      GLN  94  -4.325   4.352   7.720
  668    H    ALA  95           HN       ALA  95   1.327   7.856   7.504
  669    HA   ALA  95           HA       ALA  95   0.075  10.057   8.798
  670    HB1  ALA  95           HB1      ALA  95   2.545   9.634   8.631
  671    HB2  ALA  95           HB2      ALA  95   2.016  11.279   8.259
  672    HB3  ALA  95           HB3      ALA  95   2.429  10.169   6.948
  673    H    VAL  96           HN       VAL  96   0.886   9.348   5.397
  674    HA   VAL  96           HA       VAL  96  -0.430  11.681   4.430
  675    HB   VAL  96           HB       VAL  96   0.831  11.211   2.647
  676   HG11  VAL  96          HG11      VAL  96   2.126   9.622   3.993
  677   HG12  VAL  96          HG12      VAL  96   2.030   9.156   2.287
  678   HG13  VAL  96          HG13      VAL  96   1.028   8.334   3.491
  679   HG21  VAL  96          HG21      VAL  96  -1.319  10.562   1.714
  680   HG22  VAL  96          HG22      VAL  96  -1.044   8.895   2.230
  681   HG23  VAL  96          HG23      VAL  96  -0.004   9.621   1.001
  682    H    ILE  97           HN       ILE  97  -1.356   8.369   5.076
  683    HA   ILE  97           HA       ILE  97  -3.928   8.472   4.027
  684    HB   ILE  97           HB       ILE  97  -2.782   7.158   6.456
  685   HG12  ILE  97          HG12      ILE  97  -4.125   5.776   4.183
  686   HG13  ILE  97          HG11      ILE  97  -2.536   6.485   3.916
  687   HG21  ILE  97          HG21      ILE  97  -5.090   7.766   6.993
  688   HG22  ILE  97          HG22      ILE  97  -4.883   6.021   6.827
  689   HG23  ILE  97          HG23      ILE  97  -5.634   6.949   5.526
  690   HD11  ILE  97          HD11      ILE  97  -3.141   4.574   6.142
  691   HD12  ILE  97          HD12      ILE  97  -1.561   5.130   5.585
  692   HD13  ILE  97          HD13      ILE  97  -2.540   4.079   4.562
  693    H    ASP  98           HN       ASP  98  -2.898   9.252   7.324
  694    HA   ASP  98           HA       ASP  98  -5.193  10.534   8.211
  695    HB2  ASP  98           HB2      ASP  98  -3.329   9.917   9.669
  696    HB3  ASP  98           HB1      ASP  98  -2.301  11.120   8.892
  697    H    SER  99           HN       SER  99  -2.443  11.877   6.448
  698    HA   SER  99           HA       SER  99  -3.345  14.595   6.687
  699    HB2  SER  99           HB2      SER  99  -1.015  14.294   6.684
  700    HB3  SER  99           HB1      SER  99  -1.059  13.240   5.273
  701    HG   SER  99           HG       SER  99  -0.698  14.983   4.162
  702    H    ASP 100           HN       ASP 100  -2.783  12.455   3.876
  703    HA   ASP 100           HA       ASP 100  -4.163  14.198   2.102
  704    HB2  ASP 100           HB2      ASP 100  -2.965  11.507   1.825
  705    HB3  ASP 100           HB1      ASP 100  -4.169  11.982   0.679
  706    H    LYS 101           HN       LYS 101  -5.389  11.972   4.383
  707    HA   LYS 101           HA       LYS 101  -7.848  11.285   3.275
  708    HB2  LYS 101           HB2      LYS 101  -6.713  11.616   5.895
  709    HB3  LYS 101           HB1      LYS 101  -8.362  12.238   5.873
  710    HG2  LYS 101           HG2      LYS 101  -9.252  10.206   5.686
  711    HG3  LYS 101           HG1      LYS 101  -7.967   9.600   4.636
  712    HD2  LYS 101           HD2      LYS 101  -7.891   8.447   6.749
  713    HD3  LYS 101           HD1      LYS 101  -6.509   9.529   6.630
  714    HE2  LYS 101           HE2      LYS 101  -7.488   9.677   8.834
  715    HE3  LYS 101           HE1      LYS 101  -7.693  11.186   7.950
  716    HZ1  LYS 101           HZ1      LYS 101  -9.943  10.809   7.640
  717    HZ2  LYS 101           HZ2      LYS 101  -9.678  10.315   9.242
  718    HZ3  LYS 101           HZ3      LYS 101  -9.835   9.157   8.012
  719    H    SER 102           HN       SER 102  -6.632  14.394   4.350
  720    HA   SER 102           HA       SER 102  -9.108  15.807   4.172
  721    HB2  SER 102           HB2      SER 102  -6.320  16.944   3.870
  722    HB3  SER 102           HB1      SER 102  -7.769  17.784   4.427
  723    HG   SER 102           HG       SER 102  -5.996  16.614   5.919
  724    H    ASN 103           HN       ASN 103  -6.997  14.462   1.959
  725    HA   ASN 103           HA       ASN 103  -7.826  16.178  -0.258
  726    HB2  ASN 103           HB2      ASN 103  -5.383  15.655   0.131
  727    HB3  ASN 103           HB1      ASN 103  -5.743  13.972  -0.251
  728   HD21  ASN 103          HD21      ASN 103  -4.177  14.266  -1.942
  729   HD22  ASN 103          HD22      ASN 103  -4.668  14.971  -3.451
  730    H    TYR 104           HN       TYR 104  -8.178  13.033   1.133
  731    HA   TYR 104           HA       TYR 104 -10.485  12.517  -0.524
  732    HB2  TYR 104           HB2      TYR 104  -8.942  10.056  -0.321
  733    HB3  TYR 104           HB1      TYR 104  -9.754  10.728  -1.722
  734    HD1  TYR 104           HD2      TYR 104  -6.686  11.187   0.324
  735    HD2  TYR 104           HD1      TYR 104  -8.457  11.344  -3.537
  736    HE1  TYR 104           HE2      TYR 104  -4.493  11.684  -0.660
  737    HE2  TYR 104           HE1      TYR 104  -6.279  11.822  -4.543
  738    HH   TYR 104           HH       TYR 104  -3.330  11.623  -2.694
  739    H    CYS 105           HN       CYS 105 -11.873  12.157   1.080
  740    HA   CYS 105           HA       CYS 105 -11.635   9.669   2.437
  741    HB2  CYS 105           HB2      CYS 105 -10.509  10.819   4.136
  742    HB3  CYS 105           HB1      CYS 105 -11.537  12.236   4.002
  743    HG   CYS 105           HG       CYS 105 -13.490   9.767   4.806
  744    H    THR 106           HN       THR 106 -13.558   8.760   2.221
  745    HA   THR 106           HA       THR 106 -15.910  10.499   2.173
  746    HB   THR 106           HB       THR 106 -17.154   8.523   1.367
  747    HG1  THR 106           HG1      THR 106 -14.618   7.222   1.179
  748   HG21  THR 106          HG21      THR 106 -16.212   8.462  -0.850
  749   HG22  THR 106          HG22      THR 106 -14.668   9.057  -0.243
  750   HG23  THR 106          HG23      THR 106 -16.089  10.097  -0.196
  751    H    ASP 107           HN       ASP 107 -17.847   9.708   3.346
  752    HA   ASP 107           HA       ASP 107 -17.197   8.949   6.045
  753    HB2  ASP 107           HB2      ASP 107 -19.867   9.340   4.674
  754    HB3  ASP 107           HB1      ASP 107 -19.668   9.037   6.396
  755    H    LYS 108           HN       LYS 108 -16.233   6.982   4.612
  756    HA   LYS 108           HA       LYS 108 -16.192   4.770   4.191
  757    HB2  LYS 108           HB2      LYS 108 -16.882   5.010   6.721
  758    HB3  LYS 108           HB1      LYS 108 -18.340   4.221   6.151
  759    HG2  LYS 108           HG2      LYS 108 -15.557   3.137   5.749
  760    HG3  LYS 108           HG1      LYS 108 -16.613   2.680   7.085
  761    HD2  LYS 108           HD2      LYS 108 -17.518   2.403   4.239
  762    HD3  LYS 108           HD1      LYS 108 -16.510   1.165   4.991
  763    HE2  LYS 108           HE2      LYS 108 -18.764   1.959   6.659
  764    HE3  LYS 108           HE1      LYS 108 -19.266   1.321   5.092
  765    HZ1  LYS 108           HZ1      LYS 108 -18.023  -0.679   5.497
  766    HZ2  LYS 108           HZ2      LYS 108 -19.053  -0.403   6.815
  767    HZ3  LYS 108           HZ3      LYS 108 -17.396  -0.061   6.951
  768    H    SER 109           HN       SER 109 -17.226   5.403   2.090
  769    HA   SER 109           HA       SER 109 -19.984   4.659   1.711
  770    HB2  SER 109           HB2      SER 109 -19.292   4.849  -0.756
  771    HB3  SER 109           HB1      SER 109 -19.182   6.312   0.220
  772    HG   SER 109           HG       SER 109 -17.045   4.556  -0.459
  773    H    GLU 110           HN       GLU 110 -18.512   2.689   2.965
  774    HA   GLU 110           HA       GLU 110 -17.862   0.552   3.023
  775    HB2  GLU 110           HB2      GLU 110 -20.196   0.391   1.878
  776    HB3  GLU 110           HB1      GLU 110 -19.260  -0.036   0.446
  777    HG2  GLU 110           HG2      GLU 110 -20.050  -1.986   1.771
  778    HG3  GLU 110           HG1      GLU 110 -18.300  -1.925   1.545
  779    H    GLN 111           HN       GLN 111 -15.823   0.224   2.783
  780    HA   GLN 111           HA       GLN 111 -14.296   1.267   0.669
  781    HB2  GLN 111           HB2      GLN 111 -12.406   0.154   1.735
  782    HB3  GLN 111           HB1      GLN 111 -13.419   0.941   2.936
  783    HG2  GLN 111           HG2      GLN 111 -14.451  -1.209   3.475
  784    HG3  GLN 111           HG1      GLN 111 -13.414  -1.996   2.286
  785   HE21  GLN 111          HE21      GLN 111 -12.457  -3.305   3.788
  786   HE22  GLN 111          HE22      GLN 111 -11.313  -2.721   4.946
  787    H    GLN 112           HN       GLN 112 -12.910   0.123  -0.784
  788    HA   GLN 112           HA       GLN 112 -12.499  -1.315  -2.495
  789    HB2  GLN 112           HB2      GLN 112 -12.443  -3.081  -0.731
  790    HB3  GLN 112           HB1      GLN 112 -14.165  -3.338  -0.979
  791    HG2  GLN 112           HG2      GLN 112 -13.655  -3.908  -3.357
  792    HG3  GLN 112           HG1      GLN 112 -11.943  -3.830  -2.946
  793   HE21  GLN 112          HE21      GLN 112 -14.424  -5.030  -0.792
  794   HE22  GLN 112          HE22      GLN 112 -13.906  -6.680  -0.810
  795    HA   PRO 113           HA       PRO 113 -16.686  -0.136  -4.055
  796    HB2  PRO 113           HB2      PRO 113 -15.813   1.557  -5.978
  797    HB3  PRO 113           HB1      PRO 113 -16.016   2.056  -4.295
  798    HG2  PRO 113           HG2      PRO 113 -13.523   1.289  -5.755
  799    HG3  PRO 113           HG1      PRO 113 -13.784   2.610  -4.601
  800    HD2  PRO 113           HD2      PRO 113 -12.609   0.243  -3.933
  801    HD3  PRO 113           HD1      PRO 113 -13.528   1.234  -2.785
  802    H    SER 114           HN       SER 114 -16.884  -2.296  -4.831
  803    HA   SER 114           HA       SER 114 -15.724  -2.839  -7.463
  804    HB2  SER 114           HB2      SER 114 -15.484  -4.562  -5.686
  805    HB3  SER 114           HB1      SER 114 -17.237  -4.692  -5.603
  806    HG   SER 114           HG       SER 114 -17.227  -5.378  -7.777
  807    H    GLN 115           HN       GLN 115 -17.748  -0.877  -7.232
  808    HA   GLN 115           HA       GLN 115 -19.582  -0.147  -8.350
  809    HB2  GLN 115           HB2      GLN 115 -19.522  -2.877  -9.647
  810    HB3  GLN 115           HB1      GLN 115 -20.576  -1.560 -10.136
  811    HG2  GLN 115           HG2      GLN 115 -18.668  -0.215 -10.758
  812    HG3  GLN 115           HG1      GLN 115 -17.572  -1.468 -10.176
  813   HE21  GLN 115          HE21      GLN 115 -17.279  -3.328 -11.384
  814   HE22  GLN 115          HE22      GLN 115 -17.806  -3.460 -13.023
  815    H    ALA 116           HN       ALA 116 -21.979  -0.672  -8.697
  816    HA   ALA 116           HA       ALA 116 -24.021  -1.346  -7.985
  817    HB1  ALA 116           HB1      ALA 116 -24.317  -3.461  -6.845
  818    HB2  ALA 116           HB2      ALA 116 -22.590  -3.549  -6.503
  819    HB3  ALA 116           HB3      ALA 116 -23.165  -3.641  -8.168
  820    H    THR 117           HN       THR 117 -21.839  -1.924  -5.231
  821    HA   THR 117           HA       THR 117 -21.898  -1.257  -3.062
  822    HB   THR 117           HB       THR 117 -23.392   1.200  -3.982
  823    HG1  THR 117           HG1      THR 117 -21.608   1.931  -4.914
  824   HG21  THR 117          HG21      THR 117 -22.123   2.291  -2.199
  825   HG22  THR 117          HG22      THR 117 -21.320   0.767  -1.823
  826   HG23  THR 117          HG23      THR 117 -23.056   0.938  -1.559
  827    HA   PRO 118           HA       PRO 118 -26.341  -2.426  -2.442
  828    HB2  PRO 118           HB2      PRO 118 -25.554  -5.009  -1.511
  829    HB3  PRO 118           HB1      PRO 118 -26.410  -4.613  -3.002
  830    HG2  PRO 118           HG2      PRO 118 -23.838  -5.639  -2.873
  831    HG3  PRO 118           HG1      PRO 118 -24.525  -4.778  -4.260
  832    HD2  PRO 118           HD2      PRO 118 -22.704  -3.771  -2.114
  833    HD3  PRO 118           HD1      PRO 118 -22.737  -3.383  -3.849
  834    HA   PRO 119           HA       PRO 119 -25.752  -1.261   1.844
  835    HB2  PRO 119           HB2      PRO 119 -28.369  -1.777   2.591
  836    HB3  PRO 119           HB1      PRO 119 -27.794  -0.264   1.886
  837    HG2  PRO 119           HG2      PRO 119 -29.169  -2.565   0.570
  838    HG3  PRO 119           HG1      PRO 119 -29.379  -0.825   0.298
  839    HD2  PRO 119           HD2      PRO 119 -27.966  -2.351  -1.397
  840    HD3  PRO 119           HD1      PRO 119 -27.483  -0.679  -1.030
  841    HA   PRO 120           HA       PRO 120 -25.160  -5.521   3.150
  842    HB2  PRO 120           HB2      PRO 120 -23.286  -4.535   5.098
  843    HB3  PRO 120           HB1      PRO 120 -22.950  -5.381   3.588
  844    HG2  PRO 120           HG2      PRO 120 -22.305  -2.754   4.054
  845    HG3  PRO 120           HG1      PRO 120 -22.574  -3.441   2.443
  846    HD2  PRO 120           HD2      PRO 120 -24.433  -1.838   4.157
  847    HD3  PRO 120           HD1      PRO 120 -24.161  -1.754   2.401
  848    H    GLU 121           HN       GLU 121 -27.321  -3.874   4.291
  849    HA   GLU 121           HA       GLU 121 -27.667  -5.331   6.731
  850    HB2  GLU 121           HB2      GLU 121 -26.311  -3.446   7.561
  851    HB3  GLU 121           HB1      GLU 121 -27.467  -2.311   6.877
  852    HG2  GLU 121           HG2      GLU 121 -27.786  -2.548   9.268
  853    HG3  GLU 121           HG1      GLU 121 -29.191  -3.138   8.383
  854    H    ILE 122           HN       ILE 122 -29.814  -5.433   7.350
  855    HA   ILE 122           HA       ILE 122 -31.694  -4.142   5.484
  856    HB   ILE 122           HB       ILE 122 -31.625  -6.566   5.187
  857   HG12  ILE 122          HG12      ILE 122 -33.833  -5.217   5.091
  858   HG13  ILE 122          HG11      ILE 122 -33.920  -6.972   5.099
  859   HG21  ILE 122          HG21      ILE 122 -30.859  -7.267   7.346
  860   HG22  ILE 122          HG22      ILE 122 -32.368  -8.096   6.965
  861   HG23  ILE 122          HG23      ILE 122 -32.368  -6.744   8.096
  862   HD11  ILE 122          HD11      ILE 122 -35.617  -5.994   6.524
  863   HD12  ILE 122          HD12      ILE 122 -34.374  -5.166   7.463
  864   HD13  ILE 122          HD13      ILE 122 -34.465  -6.928   7.477
  865    HA   PRO 123           HA       PRO 123 -33.069  -2.213   9.250
  866    HB2  PRO 123           HB2      PRO 123 -34.602  -0.329   8.106
  867    HB3  PRO 123           HB1      PRO 123 -32.838  -0.263   8.046
  868    HG2  PRO 123           HG2      PRO 123 -34.779  -1.041   5.930
  869    HG3  PRO 123           HG1      PRO 123 -33.222  -0.210   5.780
  870    HD2  PRO 123           HD2      PRO 123 -33.693  -2.930   5.318
  871    HD3  PRO 123           HD1      PRO 123 -32.108  -2.164   5.525
  Start of MODEL    2
    1    H1   ALA   1           HT1      ALA   1  -1.906  12.492  -6.334
    2    H2   ALA   1           HT2      ALA   1  -1.988  12.077  -7.981
    3    H3   ALA   1           HT3      ALA   1  -0.727  11.482  -7.017
    4    HA   ALA   1           HA       ALA   1  -2.379   9.782  -7.437
    5    HB1  ALA   1           HB1      ALA   1  -2.708   9.075  -5.154
    6    HB2  ALA   1           HB2      ALA   1  -2.371  10.708  -4.568
    7    HB3  ALA   1           HB3      ALA   1  -1.096   9.765  -5.343
    8    HA   PRO   2           HA       PRO   2  -6.599  11.127  -7.597
    9    HB2  PRO   2           HB2      PRO   2  -7.248   8.338  -7.986
   10    HB3  PRO   2           HB1      PRO   2  -7.341   9.668  -9.123
   11    HG2  PRO   2           HG2      PRO   2  -5.531   7.696  -9.410
   12    HG3  PRO   2           HG1      PRO   2  -5.157   9.376  -9.850
   13    HD2  PRO   2           HD2      PRO   2  -4.498   7.923  -7.305
   14    HD3  PRO   2           HD1      PRO   2  -3.426   8.890  -8.344
   15    H    THR   3           HN       THR   3  -5.533   8.416  -5.649
   16    HA   THR   3           HA       THR   3  -7.793   8.897  -3.851
   17    HB   THR   3           HB       THR   3  -8.019   6.491  -3.460
   18    HG1  THR   3           HG1      THR   3  -6.698   5.693  -5.735
   19   HG21  THR   3          HG21      THR   3  -9.503   7.512  -5.077
   20   HG22  THR   3          HG22      THR   3  -9.044   5.910  -5.658
   21   HG23  THR   3          HG23      THR   3  -8.292   7.353  -6.351
   22    H    LEU   4           HN       LEU   4  -7.387   7.698  -1.682
   23    HA   LEU   4           HA       LEU   4  -5.082   8.931  -0.643
   24    HB2  LEU   4           HB2      LEU   4  -7.117   8.685   0.652
   25    HB3  LEU   4           HB1      LEU   4  -6.952   6.940   0.613
   26    HG   LEU   4           HG       LEU   4  -4.793   7.212   1.883
   27   HD11  LEU   4          HD11      LEU   4  -4.675   9.435   3.115
   28   HD12  LEU   4          HD12      LEU   4  -5.798  10.038   1.893
   29   HD13  LEU   4          HD13      LEU   4  -4.207   9.440   1.406
   30   HD21  LEU   4          HD21      LEU   4  -6.829   6.535   3.011
   31   HD22  LEU   4          HD22      LEU   4  -7.323   8.220   3.173
   32   HD23  LEU   4          HD23      LEU   4  -5.899   7.633   4.029
   33    H    GLN   5           HN       GLN   5  -5.833   5.557  -1.358
   34    HA   GLN   5           HA       GLN   5  -3.487   4.338  -0.449
   35    HB2  GLN   5           HB2      GLN   5  -5.263   2.962  -1.138
   36    HB3  GLN   5           HB1      GLN   5  -5.313   3.694  -2.735
   37    HG2  GLN   5           HG2      GLN   5  -4.303   1.548  -2.880
   38    HG3  GLN   5           HG1      GLN   5  -3.085   2.761  -3.207
   39   HE21  GLN   5          HE21      GLN   5  -1.296   1.685  -2.634
   40   HE22  GLN   5          HE22      GLN   5  -0.998   1.046  -1.048
   41    H    GLU   6           HN       GLU   6  -4.142   5.891  -3.580
   42    HA   GLU   6           HA       GLU   6  -1.583   5.229  -4.629
   43    HB2  GLU   6           HB2      GLU   6  -3.566   5.759  -6.043
   44    HB3  GLU   6           HB1      GLU   6  -3.415   7.438  -5.546
   45    HG2  GLU   6           HG2      GLU   6  -1.824   7.830  -7.023
   46    HG3  GLU   6           HG1      GLU   6  -0.920   6.400  -6.545
   47    H    ALA   7           HN       ALA   7  -2.833   7.828  -2.689
   48    HA   ALA   7           HA       ALA   7  -0.598   9.573  -2.917
   49    HB1  ALA   7           HB1      ALA   7  -1.425  10.534  -0.803
   50    HB2  ALA   7           HB2      ALA   7  -2.578   9.202  -0.660
   51    HB3  ALA   7           HB3      ALA   7  -2.707  10.347  -2.001
   52    H    LEU   8           HN       LEU   8  -1.279   6.676  -1.132
   53    HA   LEU   8           HA       LEU   8   1.014   6.798   0.547
   54    HB2  LEU   8           HB2      LEU   8  -0.734   4.560  -0.334
   55    HB3  LEU   8           HB1      LEU   8   0.632   4.328   0.733
   56    HG   LEU   8           HG       LEU   8  -1.959   5.686   1.252
   57   HD11  LEU   8          HD11      LEU   8  -1.845   4.289   3.237
   58   HD12  LEU   8          HD12      LEU   8  -0.244   3.730   2.759
   59   HD13  LEU   8          HD13      LEU   8  -1.653   3.330   1.771
   60   HD21  LEU   8          HD21      LEU   8  -0.409   7.364   1.925
   61   HD22  LEU   8          HD22      LEU   8   0.628   6.163   2.697
   62   HD23  LEU   8          HD23      LEU   8  -0.960   6.518   3.375
   63    H    ASP   9           HN       ASP   9   0.230   5.125  -2.463
   64    HA   ASP   9           HA       ASP   9   2.694   3.942  -3.000
   65    HB2  ASP   9           HB2      ASP   9   0.683   5.124  -4.959
   66    HB3  ASP   9           HB1      ASP   9   1.989   4.023  -5.392
   67    H    ARG  10           HN       ARG  10   1.595   7.183  -3.162
   68    HA   ARG  10           HA       ARG  10   3.697   8.234  -4.808
   69    HB2  ARG  10           HB2      ARG  10   1.278   9.038  -4.492
   70    HB3  ARG  10           HB1      ARG  10   1.831   9.734  -2.980
   71    HG2  ARG  10           HG2      ARG  10   3.104  11.322  -4.032
   72    HG3  ARG  10           HG1      ARG  10   3.204  10.409  -5.542
   73    HD2  ARG  10           HD2      ARG  10   0.776  10.748  -5.829
   74    HD3  ARG  10           HD1      ARG  10   0.768  11.752  -4.384
   75    HE   ARG  10           HE       ARG  10   2.043  12.429  -6.949
   76   HH11  ARG  10          HH11      ARG  10   1.005  13.341  -3.735
   77   HH12  ARG  10          HH12      ARG  10   1.180  15.049  -4.018
   78   HH21  ARG  10          HH21      ARG  10   2.277  14.653  -7.338
   79   HH22  ARG  10          HH22      ARG  10   1.896  15.797  -6.087
   80    H    LYS  11           HN       LYS  11   2.946   8.011  -1.382
   81    HA   LYS  11           HA       LYS  11   5.214   9.382  -0.366
   82    HB2  LYS  11           HB2      LYS  11   3.208   8.859   0.961
   83    HB3  LYS  11           HB1      LYS  11   3.606   7.163   0.845
   84    HG2  LYS  11           HG2      LYS  11   4.258   8.113   2.986
   85    HG3  LYS  11           HG1      LYS  11   5.622   7.484   2.082
   86    HD2  LYS  11           HD2      LYS  11   6.215   9.560   3.081
   87    HD3  LYS  11           HD1      LYS  11   6.156   9.747   1.333
   88    HE2  LYS  11           HE2      LYS  11   4.271  11.007   1.390
   89    HE3  LYS  11           HE1      LYS  11   3.727  10.331   2.910
   90    HZ1  LYS  11           HZ1      LYS  11   4.491  12.682   3.039
   91    HZ2  LYS  11           HZ2      LYS  11   6.060  12.148   2.672
   92    HZ3  LYS  11           HZ3      LYS  11   5.297  11.634   4.101
   93    H    CYS  12           HN       CYS  12   4.412   6.093  -1.142
   94    HA   CYS  12           HA       CYS  12   6.812   4.820  -0.526
   95    HB2  CYS  12           HB2      CYS  12   4.588   4.221  -2.455
   96    HB3  CYS  12           HB1      CYS  12   5.921   3.121  -2.199
   97    HG   CYS  12           HG       CYS  12   3.381   3.901  -0.128
   98    H    ALA  13           HN       ALA  13   5.831   6.622  -3.348
   99    HA   ALA  13           HA       ALA  13   8.037   5.857  -5.005
  100    HB1  ALA  13           HB1      ALA  13   6.059   8.136  -5.099
  101    HB2  ALA  13           HB2      ALA  13   6.111   6.679  -6.096
  102    HB3  ALA  13           HB3      ALA  13   7.344   7.924  -6.295
  103    H    GLN  14           HN       GLN  14   7.553   8.039  -2.415
  104    HA   GLN  14           HA       GLN  14   9.701   9.834  -3.037
  105    HB2  GLN  14           HB2      GLN  14   8.005   9.428  -0.586
  106    HB3  GLN  14           HB1      GLN  14   9.262  10.658  -0.705
  107    HG2  GLN  14           HG2      GLN  14   8.114  11.607  -2.646
  108    HG3  GLN  14           HG1      GLN  14   6.839  10.411  -2.457
  109   HE21  GLN  14          HE21      GLN  14   8.269  13.300  -1.198
  110   HE22  GLN  14          HE22      GLN  14   6.993  13.706  -0.091
  111    H    PHE  15           HN       PHE  15   9.259   6.943  -1.153
  112    HA   PHE  15           HA       PHE  15  11.955   7.160  -0.031
  113    HB2  PHE  15           HB2      PHE  15   9.915   4.985   0.430
  114    HB3  PHE  15           HB1      PHE  15  11.385   5.271   1.357
  115    HD1  PHE  15           HD2      PHE  15  11.418   8.007   1.966
  116    HD2  PHE  15           HD1      PHE  15   8.077   5.400   1.694
  117    HE1  PHE  15           HE2      PHE  15  10.189   9.431   3.528
  118    HE2  PHE  15           HE1      PHE  15   6.833   6.829   3.255
  119    HZ   PHE  15           HZ       PHE  15   7.835   8.850   4.097
  120    H    GLY  16           HN       GLY  16   9.979   4.878  -1.890
  121    HA2  GLY  16           HA2      GLY  16  11.812   2.848  -2.246
  122    HA3  GLY  16           HA1      GLY  16  10.545   3.256  -3.388
  123    H    LYS  17           HN       LYS  17  11.134   5.423  -4.580
  124    HA   LYS  17           HA       LYS  17  13.324   4.578  -6.183
  125    HB2  LYS  17           HB2      LYS  17  11.834   7.149  -6.485
  126    HB3  LYS  17           HB1      LYS  17  12.598   6.158  -7.724
  127    HG2  LYS  17           HG2      LYS  17  10.162   5.402  -6.137
  128    HG3  LYS  17           HG1      LYS  17  10.168   5.994  -7.781
  129    HD2  LYS  17           HD2      LYS  17  11.710   3.987  -8.286
  130    HD3  LYS  17           HD1      LYS  17  11.154   3.357  -6.730
  131    HE2  LYS  17           HE2      LYS  17   9.804   2.477  -8.541
  132    HE3  LYS  17           HE1      LYS  17   8.838   3.525  -7.503
  133    HZ1  LYS  17           HZ1      LYS  17   8.475   3.876  -9.910
  134    HZ2  LYS  17           HZ2      LYS  17  10.079   4.396 -10.053
  135    HZ3  LYS  17           HZ3      LYS  17   8.985   5.275  -9.102
  136    H    GLU  18           HN       GLU  18  12.851   6.908  -3.664
  137    HA   GLU  18           HA       GLU  18  15.214   8.391  -3.968
  138    HB2  GLU  18           HB2      GLU  18  13.748   9.141  -2.312
  139    HB3  GLU  18           HB1      GLU  18  13.621   7.556  -1.558
  140    HG2  GLU  18           HG2      GLU  18  15.881   7.756  -0.708
  141    HG3  GLU  18           HG1      GLU  18  16.088   9.288  -1.552
  142    H    SER  19           HN       SER  19  14.601   5.275  -2.429
  143    HA   SER  19           HA       SER  19  17.269   4.676  -1.756
  144    HB2  SER  19           HB2      SER  19  15.056   2.761  -2.492
  145    HB3  SER  19           HB1      SER  19  16.509   2.382  -1.558
  146    HG   SER  19           HG       SER  19  14.315   4.014  -0.824
  147    H    CYS  20           HN       CYS  20  15.314   4.021  -4.616
  148    HA   CYS  20           HA       CYS  20  17.197   2.669  -6.152
  149    HB2  CYS  20           HB2      CYS  20  15.281   2.617  -7.325
  150    HB3  CYS  20           HB1      CYS  20  14.689   4.096  -6.584
  151    HG   CYS  20           HG       CYS  20  17.093   4.538  -8.899
  152    H    ASN  21           HN       ASN  21  16.737   6.092  -5.573
  153    HA   ASN  21           HA       ASN  21  18.641   6.964  -7.518
  154    HB2  ASN  21           HB2      ASN  21  17.066   8.300  -5.343
  155    HB3  ASN  21           HB1      ASN  21  18.368   9.162  -6.164
  156   HD21  ASN  21          HD21      ASN  21  15.381   9.478  -6.147
  157   HD22  ASN  21          HD22      ASN  21  14.947   9.500  -7.825
  158    H    SER  22           HN       SER  22  18.882   5.825  -4.298
  159    HA   SER  22           HA       SER  22  21.490   7.096  -3.966
  160    HB2  SER  22           HB2      SER  22  21.259   5.986  -1.613
  161    HB3  SER  22           HB1      SER  22  20.319   7.429  -1.992
  162    HG   SER  22           HG       SER  22  18.516   6.204  -2.248
  163    H    GLY  23           HN       GLY  23  20.119   4.084  -4.880
  164    HA2  GLY  23           HA2      GLY  23  22.248   2.993  -6.003
  165    HA3  GLY  23           HA1      GLY  23  22.625   2.686  -4.318
  166    H    LEU  24           HN       LEU  24  19.398   2.496  -4.310
  167    HA   LEU  24           HA       LEU  24  19.461  -0.360  -4.270
  168    HB2  LEU  24           HB2      LEU  24  17.565   1.757  -3.567
  169    HB3  LEU  24           HB1      LEU  24  16.816   0.292  -4.164
  170    HG   LEU  24           HG       LEU  24  17.234   0.587  -1.613
  171   HD11  LEU  24          HD11      LEU  24  18.015  -1.950  -3.030
  172   HD12  LEU  24          HD12      LEU  24  16.370  -1.439  -2.649
  173   HD13  LEU  24          HD13      LEU  24  17.501  -1.806  -1.348
  174   HD21  LEU  24          HD21      LEU  24  19.566   1.179  -1.730
  175   HD22  LEU  24          HD22      LEU  24  19.930  -0.308  -2.613
  176   HD23  LEU  24          HD23      LEU  24  19.406  -0.383  -0.924
  177    H    ALA  25           HN       ALA  25  19.674  -1.374  -6.078
  178    HA   ALA  25           HA       ALA  25  18.817  -0.414  -8.608
  179    HB1  ALA  25           HB1      ALA  25  19.543  -2.561  -9.469
  180    HB2  ALA  25           HB2      ALA  25  19.636  -3.202  -7.828
  181    HB3  ALA  25           HB3      ALA  25  20.726  -1.910  -8.335
  182    H    SER  26           HN       SER  26  17.178  -2.028  -6.127
  183    HA   SER  26           HA       SER  26  15.355  -3.580  -7.614
  184    HB2  SER  26           HB2      SER  26  14.032  -3.519  -5.494
  185    HB3  SER  26           HB1      SER  26  15.687  -4.097  -5.338
  186    HG   SER  26           HG       SER  26  15.490  -2.656  -3.724
  187    H    TYR  27           HN       TYR  27  14.841  -0.454  -5.947
  188    HA   TYR  27           HA       TYR  27  12.274  -0.060  -7.108
  189    HB2  TYR  27           HB2      TYR  27  14.001   2.150  -5.971
  190    HB3  TYR  27           HB1      TYR  27  12.245   2.039  -6.024
  191    HD1  TYR  27           HD2      TYR  27  11.137   0.087  -4.671
  192    HD2  TYR  27           HD1      TYR  27  15.131   1.466  -4.057
  193    HE1  TYR  27           HE2      TYR  27  11.131  -0.850  -2.396
  194    HE2  TYR  27           HE1      TYR  27  15.128   0.514  -1.793
  195    HH   TYR  27           HH       TYR  27  12.735  -1.641  -0.725
  196    H    CYS  28           HN       CYS  28  15.407   0.335  -8.305
  197    HA   CYS  28           HA       CYS  28  14.992   2.483 -10.100
  198    HB2  CYS  28           HB2      CYS  28  17.229   1.688  -9.431
  199    HB3  CYS  28           HB1      CYS  28  16.936   0.174 -10.275
  200    HG   CYS  28           HG       CYS  28  18.742   1.814 -11.711
  201    H    GLY  29           HN       GLY  29  13.452   2.443 -11.612
  202    HA2  GLY  29           HA2      GLY  29  12.288   1.758 -13.491
  203    HA3  GLY  29           HA1      GLY  29  13.343   0.352 -13.581
  204    H    ALA  30           HN       ALA  30  11.196   1.480 -11.001
  205    HA   ALA  30           HA       ALA  30   9.707  -1.043 -11.208
  206    HB1  ALA  30           HB1      ALA  30   9.718  -1.079  -8.698
  207    HB2  ALA  30           HB2      ALA  30  10.935   0.205  -8.767
  208    HB3  ALA  30           HB3      ALA  30  11.279  -1.378  -9.464
  209    H    ALA  31           HN       ALA  31   7.636  -0.988 -10.087
  210    HA   ALA  31           HA       ALA  31   6.458   1.695  -9.816
  211    HB1  ALA  31           HB1      ALA  31   4.305   0.574 -10.100
  212    HB2  ALA  31           HB2      ALA  31   5.137  -0.977 -10.270
  213    HB3  ALA  31           HB3      ALA  31   5.366   0.295 -11.478
  214    H    ILE  32           HN       ILE  32   6.362   2.301  -7.646
  215    HA   ILE  32           HA       ILE  32   6.407   0.055  -5.761
  216    HB   ILE  32           HB       ILE  32   8.276   1.692  -5.581
  217   HG12  ILE  32          HG12      ILE  32   6.692   1.953  -3.072
  218   HG13  ILE  32          HG11      ILE  32   7.052   0.336  -3.642
  219   HG21  ILE  32          HG21      ILE  32   7.082   3.694  -6.174
  220   HG22  ILE  32          HG22      ILE  32   7.794   3.872  -4.567
  221   HG23  ILE  32          HG23      ILE  32   6.069   3.549  -4.737
  222   HD11  ILE  32          HD11      ILE  32   9.328   0.608  -3.372
  223   HD12  ILE  32          HD12      ILE  32   8.633   1.428  -1.952
  224   HD13  ILE  32          HD13      ILE  32   9.207   2.371  -3.337
  225    H    TYR  33           HN       TYR  33   5.007  -0.158  -4.102
  226    HA   TYR  33           HA       TYR  33   2.657   1.600  -4.128
  227    HB2  TYR  33           HB2      TYR  33   2.602  -1.424  -4.080
  228    HB3  TYR  33           HB1      TYR  33   1.206  -0.360  -4.021
  229    HD1  TYR  33           HD1      TYR  33   0.571   0.949  -6.013
  230    HD2  TYR  33           HD2      TYR  33   3.663  -1.962  -6.144
  231    HE1  TYR  33           HE1      TYR  33   0.420   0.918  -8.454
  232    HE2  TYR  33           HE2      TYR  33   3.528  -2.003  -8.596
  233    HH   TYR  33           HH       TYR  33   1.705   0.340 -10.373
  234    H    ALA  34           HN       ALA  34   1.437   1.615  -2.224
  235    HA   ALA  34           HA       ALA  34   2.925   0.943   0.199
  236    HB1  ALA  34           HB1      ALA  34   1.565   3.111  -0.287
  237    HB2  ALA  34           HB2      ALA  34   1.517   2.374   1.321
  238    HB3  ALA  34           HB3      ALA  34   0.178   2.111   0.190
  239    H    ARG  35           HN       ARG  35   2.617  -1.007   1.126
  240    HA   ARG  35           HA       ARG  35  -0.133  -1.965   1.160
  241    HB2  ARG  35           HB2      ARG  35   1.612  -3.113  -0.550
  242    HB3  ARG  35           HB1      ARG  35   1.908  -4.096   0.874
  243    HG2  ARG  35           HG2      ARG  35   0.213  -5.098  -0.545
  244    HG3  ARG  35           HG1      ARG  35  -0.468  -4.620   1.012
  245    HD2  ARG  35           HD2      ARG  35  -1.958  -4.013  -0.831
  246    HD3  ARG  35           HD1      ARG  35  -1.368  -2.584   0.015
  247    HE   ARG  35           HE       ARG  35   0.277  -3.198  -2.211
  248   HH11  ARG  35          HH11      ARG  35  -2.844  -1.845  -1.420
  249   HH12  ARG  35          HH12      ARG  35  -2.903  -0.833  -2.823
  250   HH21  ARG  35          HH21      ARG  35   0.183  -1.879  -4.081
  251   HH22  ARG  35          HH22      ARG  35  -1.189  -0.857  -4.340
  252    H    TYR  36           HN       TYR  36  -0.781  -2.225   3.106
  253    HA   TYR  36           HA       TYR  36   0.990  -2.363   5.372
  254    HB2  TYR  36           HB2      TYR  36  -1.309  -1.249   5.319
  255    HB3  TYR  36           HB1      TYR  36  -1.998  -2.869   5.319
  256    HD1  TYR  36           HD1      TYR  36   0.210  -0.612   7.209
  257    HD2  TYR  36           HD2      TYR  36  -2.312  -4.026   7.342
  258    HE1  TYR  36           HE1      TYR  36   0.415  -0.629   9.637
  259    HE2  TYR  36           HE2      TYR  36  -2.135  -4.064   9.789
  260    HH   TYR  36           HH       TYR  36  -0.835  -1.453  11.575
  261    H    ASP  37           HN       ASP  37   2.135  -4.294   4.837
  262    HA   ASP  37           HA       ASP  37   0.736  -6.772   5.387
  263    HB2  ASP  37           HB2      ASP  37   1.774  -6.043   2.698
  264    HB3  ASP  37           HB1      ASP  37   2.135  -7.670   3.262
  265    H    LYS  38           HN       LYS  38   2.555  -8.614   4.917
  266    HA   LYS  38           HA       LYS  38   4.514  -8.221   6.908
  267    HB2  LYS  38           HB2      LYS  38   4.446 -10.240   4.662
  268    HB3  LYS  38           HB1      LYS  38   5.439 -10.360   6.098
  269    HG2  LYS  38           HG2      LYS  38   3.499 -10.663   7.475
  270    HG3  LYS  38           HG1      LYS  38   2.432 -10.357   6.105
  271    HD2  LYS  38           HD2      LYS  38   4.269 -12.699   6.544
  272    HD3  LYS  38           HD1      LYS  38   2.509 -12.710   6.405
  273    HE2  LYS  38           HE2      LYS  38   2.740 -11.907   4.074
  274    HE3  LYS  38           HE1      LYS  38   4.489 -12.043   4.238
  275    HZ1  LYS  38           HZ1      LYS  38   3.448 -13.968   3.124
  276    HZ2  LYS  38           HZ2      LYS  38   2.601 -14.316   4.553
  277    HZ3  LYS  38           HZ3      LYS  38   4.297 -14.394   4.528
  278    H    GLY  39           HN       GLY  39   6.765  -8.002   6.717
  279    HA2  GLY  39           HA2      GLY  39   7.720  -6.732   4.283
  280    HA3  GLY  39           HA1      GLY  39   8.643  -6.995   5.764
  281    H    ASN  40           HN       ASN  40  10.307  -8.301   5.380
  282    HA   ASN  40           HA       ASN  40  10.155 -10.400   3.409
  283    HB2  ASN  40           HB2      ASN  40  12.273  -9.181   4.023
  284    HB3  ASN  40           HB1      ASN  40  12.213  -9.951   5.606
  285   HD21  ASN  40          HD21      ASN  40  12.752 -10.390   2.212
  286   HD22  ASN  40          HD22      ASN  40  13.478 -11.961   2.305
  287    H    SER  41           HN       SER  41  10.661 -12.742   4.238
  288    HA   SER  41           HA       SER  41   8.556 -13.481   5.993
  289    HB2  SER  41           HB2      SER  41  10.843 -15.089   4.843
  290    HB3  SER  41           HB1      SER  41   9.521 -15.787   5.780
  291    HG   SER  41           HG       SER  41   9.112 -15.907   3.541
  292    H    SER  42           HN       SER  42  11.540 -12.237   6.657
  293    HA   SER  42           HA       SER  42  11.932 -13.610   9.169
  294    HB2  SER  42           HB2      SER  42  13.331 -11.151   8.100
  295    HB3  SER  42           HB1      SER  42  13.878 -12.194   9.413
  296    HG   SER  42           HG       SER  42  14.980 -12.949   7.713
  297    H    GLN  43           HN       GLN  43   9.890 -11.168   8.098
  298    HA   GLN  43           HA       GLN  43   9.923  -9.836  10.741
  299    HB2  GLN  43           HB2      GLN  43  10.575  -8.460   8.688
  300    HB3  GLN  43           HB1      GLN  43   8.910  -8.631   8.171
  301    HG2  GLN  43           HG2      GLN  43   9.182  -6.511   9.241
  302    HG3  GLN  43           HG1      GLN  43   8.161  -7.540  10.244
  303   HE21  GLN  43          HE21      GLN  43   8.609  -6.369  12.111
  304   HE22  GLN  43          HE22      GLN  43  10.144  -6.450  12.901
  305    H    GLN  44           HN       GLN  44   7.843 -10.973   8.098
  306    HA   GLN  44           HA       GLN  44   5.592 -10.899   7.803
  307    HB2  GLN  44           HB2      GLN  44   5.788 -12.020  10.545
  308    HB3  GLN  44           HB1      GLN  44   4.267 -11.913   9.690
  309    HG2  GLN  44           HG2      GLN  44   4.807 -13.999   9.088
  310    HG3  GLN  44           HG1      GLN  44   5.697 -13.152   7.827
  311   HE21  GLN  44          HE21      GLN  44   6.182 -15.766   8.851
  312   HE22  GLN  44          HE22      GLN  44   7.775 -15.766   9.529
  313    H    THR  45           HN       THR  45   4.339 -10.462  10.862
  314    HA   THR  45           HA       THR  45   2.826  -8.817  11.488
  315    HB   THR  45           HB       THR  45   4.139  -6.887  12.522
  316    HG1  THR  45           HG1      THR  45   6.250  -6.828  12.285
  317   HG21  THR  45          HG21      THR  45   5.030  -8.329  14.300
  318   HG22  THR  45          HG22      THR  45   4.810  -9.734  13.256
  319   HG23  THR  45          HG23      THR  45   3.409  -8.807  13.798
  320    H    LYS  46           HN       LYS  46   1.496  -7.865  10.010
  321    HA   LYS  46           HA       LYS  46   2.430  -6.340   7.841
  322    HB2  LYS  46           HB2      LYS  46  -0.280  -6.072   9.082
  323    HB3  LYS  46           HB1      LYS  46   0.180  -5.627   7.457
  324    HG2  LYS  46           HG2      LYS  46   0.812  -8.197   7.344
  325    HG3  LYS  46           HG1      LYS  46  -0.443  -8.275   8.585
  326    HD2  LYS  46           HD2      LYS  46  -1.869  -6.866   7.026
  327    HD3  LYS  46           HD1      LYS  46  -0.659  -7.194   5.797
  328    HE2  LYS  46           HE2      LYS  46  -1.006  -9.634   6.184
  329    HE3  LYS  46           HE1      LYS  46  -2.357  -9.208   7.235
  330    HZ1  LYS  46           HZ1      LYS  46  -3.136  -9.707   5.021
  331    HZ2  LYS  46           HZ2      LYS  46  -2.105  -8.536   4.355
  332    HZ3  LYS  46           HZ3      LYS  46  -3.391  -8.066   5.362
  333    H    GLU  47           HN       GLU  47   3.294  -4.428   7.827
  334    HA   GLU  47           HA       GLU  47   1.972  -2.269   9.307
  335    HB2  GLU  47           HB2      GLU  47   4.968  -2.666   9.236
  336    HB3  GLU  47           HB1      GLU  47   4.184  -1.152   9.666
  337    HG2  GLU  47           HG2      GLU  47   3.099  -2.234  11.548
  338    HG3  GLU  47           HG1      GLU  47   3.850  -3.757  11.105
  339    H    TRP  48           HN       TRP  48   2.231  -0.219   8.271
  340    HA   TRP  48           HA       TRP  48   2.161  -0.327   5.500
  341    HB2  TRP  48           HB2      TRP  48   2.562   1.892   7.455
  342    HB3  TRP  48           HB1      TRP  48   2.713   2.172   5.728
  343    HD1  TRP  48           HD1      TRP  48   0.237   2.466   8.317
  344    HE1  TRP  48           HE1      TRP  48  -2.140   2.468   7.321
  345    HE3  TRP  48           HE3      TRP  48   1.287   0.608   3.688
  346    HZ2  TRP  48           HZ2      TRP  48  -3.410   1.726   4.921
  347    HZ3  TRP  48           HZ3      TRP  48  -0.555   0.266   2.103
  348    HH2  TRP  48           HH2      TRP  48  -2.856   0.805   2.706
  349    H    ARG  49           HN       ARG  49   3.765  -0.828   4.189
  350    HA   ARG  49           HA       ARG  49   6.357   0.435   4.636
  351    HB2  ARG  49           HB2      ARG  49   5.875  -2.513   4.129
  352    HB3  ARG  49           HB1      ARG  49   7.450  -1.742   3.974
  353    HG2  ARG  49           HG2      ARG  49   7.694  -1.466   6.229
  354    HG3  ARG  49           HG1      ARG  49   5.964  -1.417   6.536
  355    HD2  ARG  49           HD2      ARG  49   5.953  -3.878   5.877
  356    HD3  ARG  49           HD1      ARG  49   7.710  -3.798   6.024
  357    HE   ARG  49           HE       ARG  49   6.833  -2.751   8.356
  358   HH11  ARG  49          HH11      ARG  49   6.001  -5.686   6.679
  359   HH12  ARG  49          HH12      ARG  49   5.764  -6.605   8.138
  360   HH21  ARG  49          HH21      ARG  49   6.553  -3.953  10.281
  361   HH22  ARG  49          HH22      ARG  49   6.076  -5.621  10.169
  362    H    CYS  50           HN       CYS  50   7.727   0.069   2.546
  363    HA   CYS  50           HA       CYS  50   5.901   0.631   0.323
  364    HB2  CYS  50           HB2      CYS  50   7.574   1.911  -0.653
  365    HB3  CYS  50           HB1      CYS  50   8.037   2.100   1.027
  366    HG   CYS  50           HG       CYS  50   9.433  -0.558  -0.401
  367    H    TYR  51           HN       TYR  51   5.553  -0.918  -1.078
  368    HA   TYR  51           HA       TYR  51   7.654  -2.942  -1.450
  369    HB2  TYR  51           HB2      TYR  51   4.663  -3.385  -1.575
  370    HB3  TYR  51           HB1      TYR  51   5.894  -4.610  -1.829
  371    HD1  TYR  51           HD1      TYR  51   7.725  -4.150   0.342
  372    HD2  TYR  51           HD2      TYR  51   3.490  -3.980   0.315
  373    HE1  TYR  51           HE1      TYR  51   7.690  -4.718   2.741
  374    HE2  TYR  51           HE2      TYR  51   3.434  -4.534   2.708
  375    HH   TYR  51           HH       TYR  51   6.181  -4.433   4.667
  376    H    ILE  52           HN       ILE  52   8.446  -2.672  -3.451
  377    HA   ILE  52           HA       ILE  52   6.973  -1.324  -5.458
  378    HB   ILE  52           HB       ILE  52   8.813  -2.525  -6.952
  379   HG12  ILE  52          HG12      ILE  52  10.014  -2.476  -4.222
  380   HG13  ILE  52          HG11      ILE  52   9.646  -3.932  -5.157
  381   HG21  ILE  52          HG21      ILE  52  10.165  -0.583  -6.672
  382   HG22  ILE  52          HG22      ILE  52   9.515  -0.308  -5.056
  383   HG23  ILE  52          HG23      ILE  52   8.481  -0.090  -6.474
  384   HD11  ILE  52          HD11      ILE  52  12.028  -3.211  -5.266
  385   HD12  ILE  52          HD12      ILE  52  11.488  -1.752  -6.112
  386   HD13  ILE  52          HD13      ILE  52  11.225  -3.351  -6.830
  387    H    GLU  53           HN       GLU  53   6.145  -2.231  -7.427
  388    HA   GLU  53           HA       GLU  53   4.343  -4.276  -7.141
  389    HB2  GLU  53           HB2      GLU  53   4.290  -2.650  -8.954
  390    HB3  GLU  53           HB1      GLU  53   5.715  -3.373  -9.680
  391    HG2  GLU  53           HG2      GLU  53   4.503  -5.426 -10.076
  392    HG3  GLU  53           HG1      GLU  53   3.076  -4.754  -9.268
  393    H    LYS  54           HN       LYS  54   7.662  -4.378  -7.905
  394    HA   LYS  54           HA       LYS  54   8.113  -6.864  -8.963
  395    HB2  LYS  54           HB2      LYS  54   9.719  -5.346  -6.888
  396    HB3  LYS  54           HB1      LYS  54  10.352  -6.623  -7.907
  397    HG2  LYS  54           HG2      LYS  54   9.601  -5.163  -9.883
  398    HG3  LYS  54           HG1      LYS  54   9.448  -3.875  -8.690
  399    HD2  LYS  54           HD2      LYS  54  11.593  -3.633  -9.639
  400    HD3  LYS  54           HD1      LYS  54  11.849  -4.368  -8.055
  401    HE2  LYS  54           HE2      LYS  54  12.130  -6.533  -9.041
  402    HE3  LYS  54           HE1      LYS  54  11.670  -5.921 -10.628
  403    HZ1  LYS  54           HZ1      LYS  54  14.092  -5.134  -9.109
  404    HZ2  LYS  54           HZ2      LYS  54  13.649  -4.534 -10.626
  405    HZ3  LYS  54           HZ3      LYS  54  14.055  -6.171 -10.444
  406    H    GLU  55           HN       GLU  55   7.402  -5.946  -5.667
  407    HA   GLU  55           HA       GLU  55   8.125  -8.615  -4.711
  408    HB2  GLU  55           HB2      GLU  55   7.748  -6.097  -3.136
  409    HB3  GLU  55           HB1      GLU  55   8.495  -7.586  -2.592
  410    HG2  GLU  55           HG2      GLU  55   9.577  -5.963  -4.882
  411    HG3  GLU  55           HG1      GLU  55  10.054  -5.706  -3.196
  412    H    LEU  56           HN       LEU  56   5.360  -6.563  -5.151
  413    HA   LEU  56           HA       LEU  56   3.701  -7.828  -3.205
  414    HB2  LEU  56           HB2      LEU  56   3.127  -6.131  -5.615
  415    HB3  LEU  56           HB1      LEU  56   1.844  -6.891  -4.712
  416    HG   LEU  56           HG       LEU  56   2.617  -5.624  -2.661
  417   HD11  LEU  56          HD11      LEU  56   4.901  -5.249  -3.420
  418   HD12  LEU  56          HD12      LEU  56   4.087  -3.718  -3.097
  419   HD13  LEU  56          HD13      LEU  56   4.316  -4.266  -4.759
  420   HD21  LEU  56          HD21      LEU  56   1.875  -4.001  -5.116
  421   HD22  LEU  56          HD22      LEU  56   1.689  -3.498  -3.429
  422   HD23  LEU  56          HD23      LEU  56   0.749  -4.856  -4.052
  423    H    ASP  57           HN       ASP  57   1.752  -9.000  -3.847
  424    HA   ASP  57           HA       ASP  57   2.088 -10.625  -6.281
  425    HB2  ASP  57           HB2      ASP  57   2.363 -11.836  -3.987
  426    HB3  ASP  57           HB1      ASP  57   0.622 -11.626  -3.849
  427    H    PHE  58           HN       PHE  58   0.601  -9.966  -7.685
  428    HA   PHE  58           HA       PHE  58  -1.826  -8.697  -6.725
  429    HB2  PHE  58           HB2      PHE  58  -0.495  -8.959  -9.387
  430    HB3  PHE  58           HB1      PHE  58  -2.211  -8.569  -9.321
  431    HD1  PHE  58           HD1      PHE  58   1.171  -7.402  -8.521
  432    HD2  PHE  58           HD2      PHE  58  -2.987  -6.478  -8.492
  433    HE1  PHE  58           HE1      PHE  58   1.711  -5.035  -8.130
  434    HE2  PHE  58           HE2      PHE  58  -2.451  -4.100  -8.113
  435    HZ   PHE  58           HZ       PHE  58  -0.102  -3.378  -7.928
  436    H    SER  59           HN       SER  59  -0.985 -11.786  -6.983
  437    HA   SER  59           HA       SER  59  -3.549 -12.714  -8.009
  438    HB2  SER  59           HB2      SER  59  -1.597 -14.492  -6.640
  439    HB3  SER  59           HB1      SER  59  -2.648 -14.839  -8.003
  440    HG   SER  59           HG       SER  59  -0.164 -13.529  -7.942
  441    H    LYS  60           HN       LYS  60  -2.245 -11.435  -5.277
  442    HA   LYS  60           HA       LYS  60  -4.060 -12.820  -3.439
  443    HB2  LYS  60           HB2      LYS  60  -1.478 -11.406  -3.136
  444    HB3  LYS  60           HB1      LYS  60  -2.677 -11.059  -1.923
  445    HG2  LYS  60           HG2      LYS  60  -1.234 -12.795  -1.138
  446    HG3  LYS  60           HG1      LYS  60  -2.849 -13.442  -1.394
  447    HD2  LYS  60           HD2      LYS  60  -0.779 -13.668  -3.543
  448    HD3  LYS  60           HD1      LYS  60  -0.753 -14.784  -2.180
  449    HE2  LYS  60           HE2      LYS  60  -3.088 -14.328  -4.034
  450    HE3  LYS  60           HE1      LYS  60  -1.969 -15.686  -4.121
  451    HZ1  LYS  60           HZ1      LYS  60  -2.694 -16.365  -1.908
  452    HZ2  LYS  60           HZ2      LYS  60  -3.997 -16.301  -2.987
  453    HZ3  LYS  60           HZ3      LYS  60  -3.785 -15.065  -1.850
  454    H    SER  61           HN       SER  61  -5.933 -11.841  -3.004
  455    HA   SER  61           HA       SER  61  -6.167  -8.981  -3.327
  456    HB2  SER  61           HB2      SER  61  -8.462  -9.554  -2.172
  457    HB3  SER  61           HB1      SER  61  -8.196  -9.931  -3.874
  458    HG   SER  61           HG       SER  61  -9.086 -11.713  -2.714
  459    H    GLY  62           HN       GLY  62  -5.636  -7.627  -1.734
  460    HA2  GLY  62           HA2      GLY  62  -4.939  -8.904   0.830
  461    HA3  GLY  62           HA1      GLY  62  -3.969  -7.656   0.067
  462    H    ASP  63           HN       ASP  63  -5.900  -8.215   2.552
  463    HA   ASP  63           HA       ASP  63  -7.405  -5.754   2.610
  464    HB2  ASP  63           HB2      ASP  63  -6.771  -7.759   4.794
  465    HB3  ASP  63           HB1      ASP  63  -7.882  -6.405   4.965
  466    H    GLY  64           HN       GLY  64  -4.589  -5.495   2.124
  467    HA2  GLY  64           HA2      GLY  64  -3.728  -4.119   4.593
  468    HA3  GLY  64           HA1      GLY  64  -2.603  -4.916   3.500
  469    H    CYS  65           HN       CYS  65  -5.042  -3.467   1.774
  470    HA   CYS  65           HA       CYS  65  -3.398  -1.128   1.081
  471    HB2  CYS  65           HB2      CYS  65  -6.126  -1.880  -0.010
  472    HB3  CYS  65           HB1      CYS  65  -4.877  -0.912  -0.782
  473    HG   CYS  65           HG       CYS  65  -4.969  -4.305  -0.404
  474    H    VAL  66           HN       VAL  66  -4.496   1.003   1.102
  475    HA   VAL  66           HA       VAL  66  -6.724   1.059   3.025
  476    HB   VAL  66           HB       VAL  66  -5.071   2.362   4.031
  477   HG11  VAL  66          HG11      VAL  66  -3.528   2.420   2.166
  478   HG12  VAL  66          HG12      VAL  66  -3.730   4.028   2.868
  479   HG13  VAL  66          HG13      VAL  66  -4.539   3.620   1.349
  480   HG21  VAL  66          HG21      VAL  66  -6.534   4.458   2.463
  481   HG22  VAL  66          HG22      VAL  66  -5.910   4.562   4.118
  482   HG23  VAL  66          HG23      VAL  66  -7.289   3.514   3.752
  483    H    ASP  67           HN       ASP  67  -8.469   2.299   2.527
  484    HA   ASP  67           HA       ASP  67  -8.974   2.504  -0.317
  485    HB2  ASP  67           HB2      ASP  67 -10.578   1.478   1.357
  486    HB3  ASP  67           HB1      ASP  67 -10.844   3.108   1.971
  487    H    ASP  68           HN       ASP  68 -10.909   4.768   0.045
  488    HA   ASP  68           HA       ASP  68  -8.966   6.873  -0.251
  489    HB2  ASP  68           HB2      ASP  68 -10.854   8.417  -0.544
  490    HB3  ASP  68           HB1      ASP  68 -10.981   7.021  -1.598
  491    H    CYS  69           HN       CYS  69 -11.018   5.707   2.303
  492    HA   CYS  69           HA       CYS  69  -9.940   7.811   4.069
  493    HB2  CYS  69           HB2      CYS  69 -12.410   7.328   4.112
  494    HB3  CYS  69           HB1      CYS  69 -12.037   5.696   4.647
  495    HG   CYS  69           HG       CYS  69 -12.552   8.318   6.458
  496    H    GLY  70           HN       GLY  70  -8.982   6.979   6.162
  497    HA2  GLY  70           HA2      GLY  70  -7.089   4.917   5.429
  498    HA3  GLY  70           HA1      GLY  70  -7.070   5.854   6.925
  499    H    SER  71           HN       SER  71  -8.950   3.417   5.245
  500    HA   SER  71           HA       SER  71  -8.863   1.721   7.629
  501    HB2  SER  71           HB2      SER  71 -11.244   2.137   5.796
  502    HB3  SER  71           HB1      SER  71 -11.164   0.963   7.111
  503    HG   SER  71           HG       SER  71 -12.140   3.237   7.413
  504    H    MET  72           HN       MET  72  -8.022  -0.239   7.102
  505    HA   MET  72           HA       MET  72  -6.898  -0.544   4.586
  506    HB2  MET  72           HB2      MET  72  -6.345  -2.868   5.324
  507    HB3  MET  72           HB1      MET  72  -5.751  -1.549   6.328
  508    HG2  MET  72           HG2      MET  72  -7.391  -1.892   7.935
  509    HG3  MET  72           HG1      MET  72  -8.306  -2.930   6.856
  510    HE1  MET  72           HE1      MET  72  -7.183  -5.352   9.758
  511    HE2  MET  72           HE2      MET  72  -8.553  -4.692   8.864
  512    HE3  MET  72           HE3      MET  72  -7.600  -3.646   9.917
  513    H    THR  73           HN       THR  73  -7.747  -0.995   2.768
  514    HA   THR  73           HA       THR  73 -10.290  -2.424   2.645
  515    HB   THR  73           HB       THR  73 -10.139  -0.164   1.584
  516    HG1  THR  73           HG1      THR  73 -10.569  -1.764  -0.617
  517   HG21  THR  73          HG21      THR  73  -7.783  -0.418   0.771
  518   HG22  THR  73          HG22      THR  73  -8.917   0.161  -0.450
  519   HG23  THR  73          HG23      THR  73  -8.382  -1.525  -0.471
  520    H    SER  74           HN       SER  74 -10.573  -4.133   1.133
  521    HA   SER  74           HA       SER  74  -8.180  -5.718   0.851
  522    HB2  SER  74           HB2      SER  74 -10.793  -6.629  -0.160
  523    HB3  SER  74           HB1      SER  74  -9.570  -7.526   0.725
  524    HG   SER  74           HG       SER  74 -10.357  -6.815   2.601
  525    H    CYS  75           HN       CYS  75  -6.971  -5.166  -0.865
  526    HA   CYS  75           HA       CYS  75  -8.242  -5.110  -3.505
  527    HB2  CYS  75           HB2      CYS  75  -6.325  -3.033  -2.466
  528    HB3  CYS  75           HB1      CYS  75  -6.882  -3.142  -4.123
  529    HG   CYS  75           HG       CYS  75  -9.657  -3.041  -2.787
  530    H    ARG  76           HN       ARG  76  -6.696  -5.507  -5.274
  531    HA   ARG  76           HA       ARG  76  -4.990  -7.654  -4.428
  532    HB2  ARG  76           HB2      ARG  76  -5.872  -6.642  -7.085
  533    HB3  ARG  76           HB1      ARG  76  -4.510  -7.743  -6.980
  534    HG2  ARG  76           HG2      ARG  76  -6.261  -9.189  -7.263
  535    HG3  ARG  76           HG1      ARG  76  -6.093  -9.156  -5.518
  536    HD2  ARG  76           HD2      ARG  76  -8.172  -8.473  -5.334
  537    HD3  ARG  76           HD1      ARG  76  -7.745  -7.018  -6.233
  538    HE   ARG  76           HE       ARG  76  -8.520  -9.481  -7.654
  539   HH11  ARG  76          HH11      ARG  76  -9.067  -6.082  -6.951
  540   HH12  ARG  76          HH12      ARG  76 -10.281  -5.900  -8.186
  541   HH21  ARG  76          HH21      ARG  76 -10.107  -9.224  -9.273
  542   HH22  ARG  76          HH22      ARG  76 -10.852  -7.674  -9.513
  543    H    GLY  77           HN       GLY  77  -3.007  -7.458  -3.834
  544    HA2  GLY  77           HA2      GLY  77  -0.860  -6.906  -5.262
  545    HA3  GLY  77           HA1      GLY  77  -1.332  -5.283  -4.800
  546    H    SER  78           HN       SER  78  -0.514  -8.440  -3.482
  547    HA   SER  78           HA       SER  78   0.347  -7.056  -1.050
  548    HB2  SER  78           HB2      SER  78  -1.827  -9.042  -1.351
  549    HB3  SER  78           HB1      SER  78  -0.815  -9.213   0.072
  550    HG   SER  78           HG       SER  78  -1.401  -7.154   0.720
  551    H    VAL  79           HN       VAL  79   1.837  -7.985   0.178
  552    HA   VAL  79           HA       VAL  79   3.728  -9.539  -1.198
  553    HB   VAL  79           HB       VAL  79   3.625  -8.839   1.721
  554   HG11  VAL  79          HG11      VAL  79   6.036  -9.518   0.052
  555   HG12  VAL  79          HG12      VAL  79   5.226 -10.655   1.131
  556   HG13  VAL  79          HG13      VAL  79   5.990  -9.208   1.789
  557   HG21  VAL  79          HG21      VAL  79   4.891  -7.380  -0.584
  558   HG22  VAL  79          HG22      VAL  79   5.051  -6.940   1.116
  559   HG23  VAL  79          HG23      VAL  79   3.472  -6.864   0.328
  560    H    SER  80           HN       SER  80   3.167 -11.587  -1.682
  561    HA   SER  80           HA       SER  80   1.709 -13.265   0.105
  562    HB2  SER  80           HB2      SER  80   2.270 -15.038  -1.627
  563    HB3  SER  80           HB1      SER  80   1.372 -13.640  -2.216
  564    HG   SER  80           HG       SER  80   2.965 -13.820  -3.665
  565    H    GLY  81           HN       GLY  81   4.929 -13.686  -1.340
  566    HA2  GLY  81           HA2      GLY  81   5.816 -15.251   0.949
  567    HA3  GLY  81           HA1      GLY  81   6.744 -14.913  -0.508
  568    HA   PRO  82           HA       PRO  82   8.664 -12.099   2.519
  569    HB2  PRO  82           HB2      PRO  82  11.123 -12.515   1.572
  570    HB3  PRO  82           HB1      PRO  82  10.394 -13.528   2.814
  571    HG2  PRO  82           HG2      PRO  82  10.592 -14.015  -0.140
  572    HG3  PRO  82           HG1      PRO  82  10.908 -15.130   1.201
  573    HD2  PRO  82           HD2      PRO  82   8.612 -15.155  -0.188
  574    HD3  PRO  82           HD1      PRO  82   8.668 -15.520   1.550
  575    H    SER  83           HN       SER  83   8.531 -10.003   1.922
  576    HA   SER  83           HA       SER  83   9.271  -9.266  -0.798
  577    HB2  SER  83           HB2      SER  83   8.573  -6.987  -0.113
  578    HB3  SER  83           HB1      SER  83   7.293  -8.170   0.082
  579    HG   SER  83           HG       SER  83   7.551  -8.100   2.252
  580    H    THR  84           HN       THR  84  11.165  -8.322  -1.330
  581    HA   THR  84           HA       THR  84  13.106  -8.072   0.874
  582    HB   THR  84           HB       THR  84  14.035  -8.131  -1.940
  583    HG1  THR  84           HG1      THR  84  12.242  -9.852  -1.326
  584   HG21  THR  84          HG21      THR  84  15.616  -8.025  -0.102
  585   HG22  THR  84          HG22      THR  84  15.756  -9.585  -0.914
  586   HG23  THR  84          HG23      THR  84  14.905  -9.464   0.628
  587    H    SER  85           HN       SER  85  12.262  -6.663  -2.265
  588    HA   SER  85           HA       SER  85  13.643  -4.211  -1.731
  589    HB2  SER  85           HB2      SER  85  11.566  -4.846  -3.872
  590    HB3  SER  85           HB1      SER  85  12.702  -3.495  -3.881
  591    HG   SER  85           HG       SER  85  13.147  -5.762  -4.970
  592    H    HIS  86           HN       HIS  86  12.750  -3.492   0.256
  593    HA   HIS  86           HA       HIS  86  10.170  -2.220   0.049
  594    HB2  HIS  86           HB2      HIS  86   9.052  -3.409   1.740
  595    HB3  HIS  86           HB1      HIS  86   9.713  -4.619   0.657
  596    HD1  HIS  86           HD1      HIS  86  12.189  -5.599   1.629
  597    HD2  HIS  86           HD2      HIS  86   9.480  -3.977   4.333
  598    HE1  HIS  86           HE1      HIS  86  12.818  -6.554   3.871
  599    HE2  HIS  86           HE2      HIS  86  11.294  -5.391   5.516
  600    H    LEU  87           HN       LEU  87   9.637  -0.894   1.855
  601    HA   LEU  87           HA       LEU  87  11.878  -0.158   3.624
  602    HB2  LEU  87           HB2      LEU  87  10.194   1.671   1.910
  603    HB3  LEU  87           HB1      LEU  87  11.228   2.252   3.202
  604    HG   LEU  87           HG       LEU  87  12.329   0.610   0.926
  605   HD11  LEU  87          HD11      LEU  87  11.101   2.500  -0.048
  606   HD12  LEU  87          HD12      LEU  87  12.851   2.645  -0.273
  607   HD13  LEU  87          HD13      LEU  87  12.036   3.608   0.964
  608   HD21  LEU  87          HD21      LEU  87  13.761   0.900   2.860
  609   HD22  LEU  87          HD22      LEU  87  13.543   2.648   2.783
  610   HD23  LEU  87          HD23      LEU  87  14.393   1.807   1.486
  611    H    THR  88           HN       THR  88  11.137  -0.291   5.684
  612    HA   THR  88           HA       THR  88   8.317  -0.213   6.226
  613    HB   THR  88           HB       THR  88  10.479  -0.111   8.299
  614    HG1  THR  88           HG1      THR  88  10.454  -2.403   8.228
  615   HG21  THR  88          HG21      THR  88   8.342   0.250   9.237
  616   HG22  THR  88          HG22      THR  88   8.763  -1.437   9.571
  617   HG23  THR  88          HG23      THR  88   7.639  -1.045   8.270
  618    H    ARG  89           HN       ARG  89   7.630   1.849   5.623
  619    HA   ARG  89           HA       ARG  89   8.353   3.870   7.647
  620    HB2  ARG  89           HB2      ARG  89   7.277   4.518   4.905
  621    HB3  ARG  89           HB1      ARG  89   8.076   5.592   6.036
  622    HG2  ARG  89           HG2      ARG  89   9.577   3.298   4.886
  623    HG3  ARG  89           HG1      ARG  89   9.322   4.759   3.936
  624    HD2  ARG  89           HD2      ARG  89  10.280   6.060   5.843
  625    HD3  ARG  89           HD1      ARG  89  10.705   4.522   6.589
  626    HE   ARG  89           HE       ARG  89  11.761   4.557   4.001
  627   HH11  ARG  89          HH11      ARG  89  12.190   6.150   7.085
  628   HH12  ARG  89          HH12      ARG  89  13.856   6.568   6.784
  629   HH21  ARG  89          HH21      ARG  89  13.961   5.110   3.595
  630   HH22  ARG  89          HH22      ARG  89  14.859   5.981   4.799
  631    HA   PRO  90           HA       PRO  90   3.874   2.541   7.629
  632    HB2  PRO  90           HB2      PRO  90   4.121   1.909  10.427
  633    HB3  PRO  90           HB1      PRO  90   3.712   0.848   9.096
  634    HG2  PRO  90           HG2      PRO  90   6.063   0.687  10.475
  635    HG3  PRO  90           HG1      PRO  90   5.861   0.180   8.793
  636    HD2  PRO  90           HD2      PRO  90   7.084   2.667   9.871
  637    HD3  PRO  90           HD1      PRO  90   7.541   1.695   8.478
  638    H    SER  91           HN       SER  91   5.583   4.351  10.127
  639    HA   SER  91           HA       SER  91   3.318   5.761  11.071
  640    HB2  SER  91           HB2      SER  91   5.551   5.529  12.245
  641    HB3  SER  91           HB1      SER  91   6.190   6.712  11.105
  642    HG   SER  91           HG       SER  91   5.326   8.228  12.260
  643    H    GLU  92           HN       GLU  92   5.299   6.042   8.284
  644    HA   GLU  92           HA       GLU  92   4.589   8.822   7.806
  645    HB2  GLU  92           HB2      GLU  92   6.918   7.922   7.486
  646    HB3  GLU  92           HB1      GLU  92   6.309   7.013   6.112
  647    HG2  GLU  92           HG2      GLU  92   7.448   9.098   5.514
  648    HG3  GLU  92           HG1      GLU  92   5.791   9.011   4.924
  649    H    LEU  93           HN       LEU  93   3.964   5.600   6.442
  650    HA   LEU  93           HA       LEU  93   2.426   6.491   4.233
  651    HB2  LEU  93           HB2      LEU  93   2.695   3.930   5.715
  652    HB3  LEU  93           HB1      LEU  93   1.256   4.140   4.746
  653    HG   LEU  93           HG       LEU  93   2.788   2.942   3.417
  654   HD11  LEU  93          HD11      LEU  93   3.245   4.473   1.546
  655   HD12  LEU  93          HD12      LEU  93   2.859   5.838   2.596
  656   HD13  LEU  93          HD13      LEU  93   1.614   4.655   2.194
  657   HD21  LEU  93          HD21      LEU  93   4.838   3.382   4.631
  658   HD22  LEU  93          HD22      LEU  93   4.850   5.048   4.051
  659   HD23  LEU  93          HD23      LEU  93   5.057   3.717   2.911
  660    H    GLN  94           HN       GLN  94   1.473   5.476   7.495
  661    HA   GLN  94           HA       GLN  94  -1.325   5.843   7.098
  662    HB2  GLN  94           HB2      GLN  94  -0.032   4.482   8.887
  663    HB3  GLN  94           HB1      GLN  94   0.082   6.007   9.745
  664    HG2  GLN  94           HG2      GLN  94  -1.723   4.658  10.587
  665    HG3  GLN  94           HG1      GLN  94  -2.339   6.139   9.871
  666   HE21  GLN  94          HE21      GLN  94  -3.762   5.988   8.144
  667   HE22  GLN  94          HE22      GLN  94  -4.346   4.485   7.559
  668    H    ALA  95           HN       ALA  95   1.268   7.931   7.510
  669    HA   ALA  95           HA       ALA  95   0.006  10.113   8.828
  670    HB1  ALA  95           HB1      ALA  95   2.375  10.285   7.015
  671    HB2  ALA  95           HB2      ALA  95   2.490   9.621   8.649
  672    HB3  ALA  95           HB3      ALA  95   1.976  11.296   8.407
  673    H    VAL  96           HN       VAL  96   0.885   9.440   5.437
  674    HA   VAL  96           HA       VAL  96  -0.386  11.795   4.488
  675    HB   VAL  96           HB       VAL  96   0.963  11.354   2.751
  676   HG11  VAL  96          HG11      VAL  96   0.997   8.438   3.475
  677   HG12  VAL  96          HG12      VAL  96   2.135   9.650   4.068
  678   HG13  VAL  96          HG13      VAL  96   2.080   9.255   2.342
  679   HG21  VAL  96          HG21      VAL  96   0.106   9.947   0.982
  680   HG22  VAL  96          HG22      VAL  96  -1.238  10.805   1.756
  681   HG23  VAL  96          HG23      VAL  96  -0.935   9.101   2.128
  682    H    ILE  97           HN       ILE  97  -1.325   8.531   5.170
  683    HA   ILE  97           HA       ILE  97  -3.837   8.558   3.956
  684    HB   ILE  97           HB       ILE  97  -2.746   7.292   6.427
  685   HG12  ILE  97          HG12      ILE  97  -4.167   5.849   4.250
  686   HG13  ILE  97          HG11      ILE  97  -2.598   6.557   3.874
  687   HG21  ILE  97          HG21      ILE  97  -5.065   7.999   6.933
  688   HG22  ILE  97          HG22      ILE  97  -4.843   6.246   6.914
  689   HG23  ILE  97          HG23      ILE  97  -5.609   7.055   5.546
  690   HD11  ILE  97          HD11      ILE  97  -1.504   5.233   5.450
  691   HD12  ILE  97          HD12      ILE  97  -2.636   4.148   4.637
  692   HD13  ILE  97          HD13      ILE  97  -3.013   4.777   6.239
  693    H    ASP  98           HN       ASP  98  -2.951   9.411   7.263
  694    HA   ASP  98           HA       ASP  98  -5.289  10.743   7.949
  695    HB2  ASP  98           HB2      ASP  98  -2.504  10.691   8.940
  696    HB3  ASP  98           HB1      ASP  98  -3.551  11.995   9.514
  697    H    SER  99           HN       SER  99  -2.401  11.999   6.365
  698    HA   SER  99           HA       SER  99  -3.235  14.727   6.488
  699    HB2  SER  99           HB2      SER  99  -0.899  14.263   6.388
  700    HB3  SER  99           HB1      SER  99  -1.077  13.336   4.896
  701    HG   SER  99           HG       SER  99  -0.951  16.077   5.302
  702    H    ASP 100           HN       ASP 100  -2.912  12.434   3.748
  703    HA   ASP 100           HA       ASP 100  -4.237  14.206   1.955
  704    HB2  ASP 100           HB2      ASP 100  -2.893  11.688   1.817
  705    HB3  ASP 100           HB1      ASP 100  -4.226  11.774   0.759
  706    H    LYS 101           HN       LYS 101  -5.453  12.023   4.274
  707    HA   LYS 101           HA       LYS 101  -7.879  11.269   3.138
  708    HB2  LYS 101           HB2      LYS 101  -6.829  11.643   5.826
  709    HB3  LYS 101           HB1      LYS 101  -8.547  12.030   5.732
  710    HG2  LYS 101           HG2      LYS 101  -9.135   9.887   5.425
  711    HG3  LYS 101           HG1      LYS 101  -7.735   9.531   4.420
  712    HD2  LYS 101           HD2      LYS 101  -7.673   8.282   6.523
  713    HD3  LYS 101           HD1      LYS 101  -6.340   9.413   6.395
  714    HE2  LYS 101           HE2      LYS 101  -7.414  10.944   7.873
  715    HE3  LYS 101           HE1      LYS 101  -8.874   9.960   7.910
  716    HZ1  LYS 101           HZ1      LYS 101  -7.536   9.631   9.893
  717    HZ2  LYS 101           HZ2      LYS 101  -6.205   9.161   8.959
  718    HZ3  LYS 101           HZ3      LYS 101  -7.603   8.200   8.989
  719    H    SER 102           HN       SER 102  -6.735  14.412   4.076
  720    HA   SER 102           HA       SER 102  -9.205  15.803   3.995
  721    HB2  SER 102           HB2      SER 102  -6.500  16.915   3.216
  722    HB3  SER 102           HB1      SER 102  -7.881  17.802   3.864
  723    HG   SER 102           HG       SER 102  -5.964  16.290   5.165
  724    H    ASN 103           HN       ASN 103  -7.039  14.560   1.613
  725    HA   ASN 103           HA       ASN 103  -8.253  15.986  -0.605
  726    HB2  ASN 103           HB2      ASN 103  -5.731  15.301  -0.344
  727    HB3  ASN 103           HB1      ASN 103  -6.300  13.731  -0.897
  728   HD21  ASN 103          HD21      ASN 103  -5.054  13.910  -2.775
  729   HD22  ASN 103          HD22      ASN 103  -5.557  14.914  -4.101
  730    H    TYR 104           HN       TYR 104  -8.168  12.803   0.844
  731    HA   TYR 104           HA       TYR 104 -10.599  12.081  -0.614
  732    HB2  TYR 104           HB2      TYR 104  -8.904   9.757  -0.362
  733    HB3  TYR 104           HB1      TYR 104  -9.695  10.385  -1.797
  734    HD1  TYR 104           HD2      TYR 104  -6.642  10.953   0.322
  735    HD2  TYR 104           HD1      TYR 104  -8.404  11.124  -3.552
  736    HE1  TYR 104           HE2      TYR 104  -4.461  11.518  -0.635
  737    HE2  TYR 104           HE1      TYR 104  -6.231  11.683  -4.536
  738    HH   TYR 104           HH       TYR 104  -3.291  11.551  -2.657
  739    H    CYS 105           HN       CYS 105 -11.974  11.588   0.989
  740    HA   CYS 105           HA       CYS 105 -11.396   9.394   2.664
  741    HB2  CYS 105           HB2      CYS 105 -10.341  10.759   4.194
  742    HB3  CYS 105           HB1      CYS 105 -11.381  12.139   3.857
  743    HG   CYS 105           HG       CYS 105 -13.539  11.202   5.320
  744    H    THR 106           HN       THR 106 -13.138   8.329   3.218
  745    HA   THR 106           HA       THR 106 -15.761   9.525   2.716
  746    HB   THR 106           HB       THR 106 -16.393   7.001   3.084
  747    HG1  THR 106           HG1      THR 106 -13.722   6.712   2.144
  748   HG21  THR 106          HG21      THR 106 -15.952   6.551   0.718
  749   HG22  THR 106          HG22      THR 106 -14.918   7.982   0.652
  750   HG23  THR 106          HG23      THR 106 -16.648   8.152   0.972
  751    H    ASP 107           HN       ASP 107 -17.474   9.151   4.261
  752    HA   ASP 107           HA       ASP 107 -16.530   9.380   6.986
  753    HB2  ASP 107           HB2      ASP 107 -18.860   9.921   7.545
  754    HB3  ASP 107           HB1      ASP 107 -18.274  10.911   6.214
  755    H    LYS 108           HN       LYS 108 -18.394   7.089   5.036
  756    HA   LYS 108           HA       LYS 108 -18.338   5.253   7.335
  757    HB2  LYS 108           HB2      LYS 108 -19.955   3.865   5.956
  758    HB3  LYS 108           HB1      LYS 108 -20.566   5.386   6.575
  759    HG2  LYS 108           HG2      LYS 108 -21.378   5.115   4.360
  760    HG3  LYS 108           HG1      LYS 108 -20.167   6.392   4.335
  761    HD2  LYS 108           HD2      LYS 108 -18.531   4.861   3.384
  762    HD3  LYS 108           HD1      LYS 108 -19.672   3.519   3.488
  763    HE2  LYS 108           HE2      LYS 108 -20.074   6.027   1.861
  764    HE3  LYS 108           HE1      LYS 108 -19.526   4.477   1.223
  765    HZ1  LYS 108           HZ1      LYS 108 -21.888   4.773   0.879
  766    HZ2  LYS 108           HZ2      LYS 108 -22.139   4.983   2.541
  767    HZ3  LYS 108           HZ3      LYS 108 -21.608   3.487   1.948
  768    H    SER 109           HN       SER 109 -16.590   6.021   4.729
  769    HA   SER 109           HA       SER 109 -15.351   5.031   3.137
  770    HB2  SER 109           HB2      SER 109 -13.896   3.128   4.033
  771    HB3  SER 109           HB1      SER 109 -13.777   4.699   4.816
  772    HG   SER 109           HG       SER 109 -15.623   2.858   5.835
  773    H    GLU 110           HN       GLU 110 -16.700   4.399   1.612
  774    HA   GLU 110           HA       GLU 110 -18.387   2.160   1.690
  775    HB2  GLU 110           HB2      GLU 110 -18.541   4.068   0.071
  776    HB3  GLU 110           HB1      GLU 110 -17.109   3.456  -0.742
  777    HG2  GLU 110           HG2      GLU 110 -19.059   2.799  -1.964
  778    HG3  GLU 110           HG1      GLU 110 -18.318   1.372  -1.238
  779    H    GLN 111           HN       GLN 111 -15.178   2.731   0.392
  780    HA   GLN 111           HA       GLN 111 -13.356   1.502   0.036
  781    HB2  GLN 111           HB2      GLN 111 -12.762  -0.084   1.551
  782    HB3  GLN 111           HB1      GLN 111 -14.110   0.652   2.403
  783    HG2  GLN 111           HG2      GLN 111 -15.574  -1.125   1.830
  784    HG3  GLN 111           HG1      GLN 111 -14.409  -1.805   0.699
  785   HE21  GLN 111          HE21      GLN 111 -12.153  -1.416   2.476
  786   HE22  GLN 111          HE22      GLN 111 -12.293  -2.625   3.709
  787    H    GLN 112           HN       GLN 112 -12.431  -0.062  -1.217
  788    HA   GLN 112           HA       GLN 112 -14.289  -1.497  -2.997
  789    HB2  GLN 112           HB2      GLN 112 -11.394  -0.728  -3.449
  790    HB3  GLN 112           HB1      GLN 112 -12.465  -1.470  -4.631
  791    HG2  GLN 112           HG2      GLN 112 -13.815   0.484  -4.746
  792    HG3  GLN 112           HG1      GLN 112 -12.973   1.214  -3.380
  793   HE21  GLN 112          HE21      GLN 112 -12.388   3.023  -4.520
  794   HE22  GLN 112          HE22      GLN 112 -11.191   2.998  -5.770
  795    HA   PRO 113           HA       PRO 113 -12.181  -4.854  -0.746
  796    HB2  PRO 113           HB2      PRO 113 -14.509  -6.247  -0.218
  797    HB3  PRO 113           HB1      PRO 113 -13.788  -5.033   0.840
  798    HG2  PRO 113           HG2      PRO 113 -16.254  -4.876  -0.601
  799    HG3  PRO 113           HG1      PRO 113 -15.523  -3.647   0.443
  800    HD2  PRO 113           HD2      PRO 113 -15.510  -3.869  -2.504
  801    HD3  PRO 113           HD1      PRO 113 -15.297  -2.436  -1.477
  802    H    SER 114           HN       SER 114 -11.537  -6.807  -1.428
  803    HA   SER 114           HA       SER 114 -13.091  -8.216  -3.465
  804    HB2  SER 114           HB2      SER 114 -10.836  -8.915  -4.462
  805    HB3  SER 114           HB1      SER 114 -11.347  -7.257  -4.768
  806    HG   SER 114           HG       SER 114  -9.986  -6.611  -3.028
  807    H    GLN 115           HN       GLN 115 -13.200 -10.411  -3.148
  808    HA   GLN 115           HA       GLN 115 -12.559 -11.215  -0.453
  809    HB2  GLN 115           HB2      GLN 115 -13.907 -12.776  -2.665
  810    HB3  GLN 115           HB1      GLN 115 -13.854 -13.226  -0.966
  811    HG2  GLN 115           HG2      GLN 115 -15.243 -10.834  -2.154
  812    HG3  GLN 115           HG1      GLN 115 -16.001 -12.284  -1.495
  813   HE21  GLN 115          HE21      GLN 115 -14.377  -9.307  -0.750
  814   HE22  GLN 115          HE22      GLN 115 -14.727  -9.297   0.940
  815    H    ALA 116           HN       ALA 116 -11.459 -13.178   0.087
  816    HA   ALA 116           HA       ALA 116  -9.489 -14.038  -1.924
  817    HB1  ALA 116           HB1      ALA 116  -8.419 -12.496  -0.347
  818    HB2  ALA 116           HB2      ALA 116  -7.778 -14.132  -0.186
  819    HB3  ALA 116           HB3      ALA 116  -8.932 -13.517   0.998
  820    H    THR 117           HN       THR 117  -9.599 -16.119  -2.289
  821    HA   THR 117           HA       THR 117  -9.885 -18.352  -2.055
  822    HB   THR 117           HB       THR 117  -9.640 -17.903   0.923
  823    HG1  THR 117           HG1      THR 117  -7.783 -17.790  -1.152
  824   HG21  THR 117          HG21      THR 117 -10.413 -20.141   0.287
  825   HG22  THR 117          HG22      THR 117  -8.773 -20.197   0.929
  826   HG23  THR 117          HG23      THR 117  -9.040 -20.307  -0.810
  827    HA   PRO 118           HA       PRO 118 -14.381 -17.983  -1.150
  828    HB2  PRO 118           HB2      PRO 118 -15.109 -19.479  -3.308
  829    HB3  PRO 118           HB1      PRO 118 -14.848 -17.733  -3.389
  830    HG2  PRO 118           HG2      PRO 118 -13.010 -19.964  -4.166
  831    HG3  PRO 118           HG1      PRO 118 -13.334 -18.437  -5.006
  832    HD2  PRO 118           HD2      PRO 118 -11.126 -18.822  -3.496
  833    HD3  PRO 118           HD1      PRO 118 -11.917 -17.238  -3.637
  834    HA   PRO 119           HA       PRO 119 -14.309 -21.968   0.817
  835    HB2  PRO 119           HB2      PRO 119 -17.124 -21.624   1.439
  836    HB3  PRO 119           HB1      PRO 119 -15.734 -21.551   2.524
  837    HG2  PRO 119           HG2      PRO 119 -17.240 -19.377   1.878
  838    HG3  PRO 119           HG1      PRO 119 -15.524 -19.281   2.312
  839    HD2  PRO 119           HD2      PRO 119 -16.804 -19.221  -0.394
  840    HD3  PRO 119           HD1      PRO 119 -15.446 -18.261   0.233
  841    HA   PRO 120           HA       PRO 120 -15.977 -24.985  -1.967
  842    HB2  PRO 120           HB2      PRO 120 -17.083 -26.758  -0.104
  843    HB3  PRO 120           HB1      PRO 120 -15.430 -26.794  -0.720
  844    HG2  PRO 120           HG2      PRO 120 -16.483 -25.678   1.831
  845    HG3  PRO 120           HG1      PRO 120 -14.930 -26.471   1.501
  846    HD2  PRO 120           HD2      PRO 120 -15.120 -23.807   1.811
  847    HD3  PRO 120           HD1      PRO 120 -13.978 -24.533   0.659
  848    H    GLU 121           HN       GLU 121 -18.130 -24.387   0.818
  849    HA   GLU 121           HA       GLU 121 -20.505 -24.700  -0.766
  850    HB2  GLU 121           HB2      GLU 121 -20.046 -23.661   2.034
  851    HB3  GLU 121           HB1      GLU 121 -21.638 -23.803   1.301
  852    HG2  GLU 121           HG2      GLU 121 -19.721 -26.081   1.749
  853    HG3  GLU 121           HG1      GLU 121 -21.100 -25.688   2.775
  854    H    ILE 122           HN       ILE 122 -20.129 -23.244  -2.441
  855    HA   ILE 122           HA       ILE 122 -19.518 -20.509  -2.098
  856    HB   ILE 122           HB       ILE 122 -20.852 -21.869  -4.444
  857   HG12  ILE 122          HG12      ILE 122 -17.930 -21.251  -3.948
  858   HG13  ILE 122          HG11      ILE 122 -18.662 -22.849  -3.829
  859   HG21  ILE 122          HG21      ILE 122 -21.139 -19.448  -4.494
  860   HG22  ILE 122          HG22      ILE 122 -20.020 -19.971  -5.753
  861   HG23  ILE 122          HG23      ILE 122 -19.403 -19.230  -4.277
  862   HD11  ILE 122          HD11      ILE 122 -18.512 -21.176  -6.325
  863   HD12  ILE 122          HD12      ILE 122 -19.195 -22.797  -6.197
  864   HD13  ILE 122          HD13      ILE 122 -17.470 -22.543  -5.934
  865    HA   PRO 123           HA       PRO 123 -23.604 -19.092  -0.857
  866    HB2  PRO 123           HB2      PRO 123 -22.360 -16.441  -1.150
  867    HB3  PRO 123           HB1      PRO 123 -23.076 -17.192   0.280
  868    HG2  PRO 123           HG2      PRO 123 -20.423 -16.832   0.048
  869    HG3  PRO 123           HG1      PRO 123 -21.113 -18.238   0.880
  870    HD2  PRO 123           HD2      PRO 123 -19.975 -18.041  -1.886
  871    HD3  PRO 123           HD1      PRO 123 -19.774 -19.325  -0.673
  Start of MODEL    3
    1    H1   ALA   1           HT1      ALA   1  -2.007  12.728  -6.039
    2    H2   ALA   1           HT2      ALA   1  -2.173  12.604  -7.718
    3    H3   ALA   1           HT3      ALA   1  -0.828  11.924  -6.949
    4    HA   ALA   1           HA       ALA   1  -2.400  10.206  -7.554
    5    HB1  ALA   1           HB1      ALA   1  -1.041  10.048  -5.450
    6    HB2  ALA   1           HB2      ALA   1  -2.522   9.092  -5.466
    7    HB3  ALA   1           HB3      ALA   1  -2.461  10.614  -4.565
    8    HA   PRO   2           HA       PRO   2  -6.640  11.416  -7.532
    9    HB2  PRO   2           HB2      PRO   2  -7.203   8.642  -8.171
   10    HB3  PRO   2           HB1      PRO   2  -7.403  10.075  -9.163
   11    HG2  PRO   2           HG2      PRO   2  -5.512   8.265  -9.729
   12    HG3  PRO   2           HG1      PRO   2  -5.211  10.002  -9.942
   13    HD2  PRO   2           HD2      PRO   2  -4.456   8.253  -7.620
   14    HD3  PRO   2           HD1      PRO   2  -3.436   9.379  -8.544
   15    H    THR   3           HN       THR   3  -5.426   8.718  -5.709
   16    HA   THR   3           HA       THR   3  -7.783   8.851  -3.983
   17    HB   THR   3           HB       THR   3  -7.794   6.403  -3.779
   18    HG1  THR   3           HG1      THR   3  -6.360   5.926  -6.074
   19   HG21  THR   3          HG21      THR   3  -8.071   7.454  -6.604
   20   HG22  THR   3          HG22      THR   3  -9.318   7.445  -5.352
   21   HG23  THR   3          HG23      THR   3  -8.735   5.920  -6.023
   22    H    LEU   4           HN       LEU   4  -7.394   7.841  -1.811
   23    HA   LEU   4           HA       LEU   4  -5.132   9.101  -0.729
   24    HB2  LEU   4           HB2      LEU   4  -7.082   8.795   0.622
   25    HB3  LEU   4           HB1      LEU   4  -6.962   7.052   0.498
   26    HG   LEU   4           HG       LEU   4  -4.743   7.254   1.722
   27   HD11  LEU   4          HD11      LEU   4  -5.825  10.033   2.165
   28   HD12  LEU   4          HD12      LEU   4  -4.344   9.610   1.287
   29   HD13  LEU   4          HD13      LEU   4  -4.460   9.328   3.034
   30   HD21  LEU   4          HD21      LEU   4  -5.791   7.471   3.915
   31   HD22  LEU   4          HD22      LEU   4  -6.765   6.474   2.833
   32   HD23  LEU   4          HD23      LEU   4  -7.237   8.142   3.162
   33    H    GLN   5           HN       GLN   5  -5.666   5.706  -1.546
   34    HA   GLN   5           HA       GLN   5  -3.292   4.803  -0.311
   35    HB2  GLN   5           HB2      GLN   5  -5.211   3.341  -0.950
   36    HB3  GLN   5           HB1      GLN   5  -4.690   3.492  -2.627
   37    HG2  GLN   5           HG2      GLN   5  -2.381   2.804  -1.313
   38    HG3  GLN   5           HG1      GLN   5  -3.612   1.858  -0.482
   39   HE21  GLN   5          HE21      GLN   5  -1.384   1.198  -2.352
   40   HE22  GLN   5          HE22      GLN   5  -2.118   0.253  -3.595
   41    H    GLU   6           HN       GLU   6  -3.931   6.137  -3.526
   42    HA   GLU   6           HA       GLU   6  -1.325   5.397  -4.472
   43    HB2  GLU   6           HB2      GLU   6  -3.243   5.936  -6.021
   44    HB3  GLU   6           HB1      GLU   6  -2.980   7.621  -5.623
   45    HG2  GLU   6           HG2      GLU   6  -0.706   7.480  -6.409
   46    HG3  GLU   6           HG1      GLU   6  -0.974   5.806  -6.816
   47    H    ALA   7           HN       ALA   7  -2.647   7.967  -2.592
   48    HA   ALA   7           HA       ALA   7  -0.397   9.715  -2.775
   49    HB1  ALA   7           HB1      ALA   7  -1.293  10.733  -0.726
   50    HB2  ALA   7           HB2      ALA   7  -2.432   9.392  -0.551
   51    HB3  ALA   7           HB3      ALA   7  -2.560  10.488  -1.932
   52    H    LEU   8           HN       LEU   8  -1.199   6.837  -1.025
   53    HA   LEU   8           HA       LEU   8   1.070   6.817   0.678
   54    HB2  LEU   8           HB2      LEU   8  -0.670   4.625  -0.341
   55    HB3  LEU   8           HB1      LEU   8   0.637   4.367   0.788
   56    HG   LEU   8           HG       LEU   8  -1.960   5.761   1.215
   57   HD11  LEU   8          HD11      LEU   8  -0.442   3.695   2.791
   58   HD12  LEU   8          HD12      LEU   8  -1.694   3.330   1.600
   59   HD13  LEU   8          HD13      LEU   8  -2.102   4.230   3.060
   60   HD21  LEU   8          HD21      LEU   8  -1.053   6.416   3.440
   61   HD22  LEU   8          HD22      LEU   8  -0.393   7.324   2.077
   62   HD23  LEU   8          HD23      LEU   8   0.554   6.037   2.826
   63    H    ASP   9           HN       ASP   9   0.277   5.154  -2.347
   64    HA   ASP   9           HA       ASP   9   2.720   3.946  -2.888
   65    HB2  ASP   9           HB2      ASP   9   0.678   5.125  -4.804
   66    HB3  ASP   9           HB1      ASP   9   2.014   4.095  -5.304
   67    H    ARG  10           HN       ARG  10   1.795   7.229  -2.977
   68    HA   ARG  10           HA       ARG  10   3.945   8.154  -4.676
   69    HB2  ARG  10           HB2      ARG  10   1.486   9.070  -4.227
   70    HB3  ARG  10           HB1      ARG  10   2.302   9.957  -2.959
   71    HG2  ARG  10           HG2      ARG  10   3.154  11.405  -4.381
   72    HG3  ARG  10           HG1      ARG  10   3.664  10.142  -5.509
   73    HD2  ARG  10           HD2      ARG  10   1.277   9.929  -6.183
   74    HD3  ARG  10           HD1      ARG  10   0.939  11.349  -5.204
   75    HE   ARG  10           HE       ARG  10   2.765  12.391  -6.743
   76   HH11  ARG  10          HH11      ARG  10   0.323  10.060  -7.703
   77   HH12  ARG  10          HH12      ARG  10   0.173  10.689  -9.313
   78   HH21  ARG  10          HH21      ARG  10   2.592  13.199  -8.875
   79   HH22  ARG  10          HH22      ARG  10   1.476  12.450  -9.983
   80    H    LYS  11           HN       LYS  11   3.118   8.026  -1.259
   81    HA   LYS  11           HA       LYS  11   5.420   9.325  -0.247
   82    HB2  LYS  11           HB2      LYS  11   3.388   8.860   1.083
   83    HB3  LYS  11           HB1      LYS  11   3.764   7.154   0.999
   84    HG2  LYS  11           HG2      LYS  11   4.413   8.310   3.119
   85    HG3  LYS  11           HG1      LYS  11   5.684   7.391   2.321
   86    HD2  LYS  11           HD2      LYS  11   6.541   9.498   3.077
   87    HD3  LYS  11           HD1      LYS  11   6.532   9.451   1.320
   88    HE2  LYS  11           HE2      LYS  11   4.477  10.735   1.282
   89    HE3  LYS  11           HE1      LYS  11   4.450  10.750   3.036
   90    HZ1  LYS  11           HZ1      LYS  11   6.554  11.982   1.350
   91    HZ2  LYS  11           HZ2      LYS  11   6.495  12.016   3.043
   92    HZ3  LYS  11           HZ3      LYS  11   5.308  12.824   2.137
   93    H    CYS  12           HN       CYS  12   4.500   6.033  -0.930
   94    HA   CYS  12           HA       CYS  12   6.815   4.638  -0.383
   95    HB2  CYS  12           HB2      CYS  12   4.676   4.221  -2.457
   96    HB3  CYS  12           HB1      CYS  12   5.920   3.033  -2.113
   97    HG   CYS  12           HG       CYS  12   3.080   3.129  -0.789
   98    H    ALA  13           HN       ALA  13   6.006   6.581  -3.170
   99    HA   ALA  13           HA       ALA  13   8.180   5.674  -4.792
  100    HB1  ALA  13           HB1      ALA  13   6.319   6.568  -5.921
  101    HB2  ALA  13           HB2      ALA  13   7.606   7.760  -6.116
  102    HB3  ALA  13           HB3      ALA  13   6.314   8.034  -4.940
  103    H    GLN  14           HN       GLN  14   7.683   8.144  -2.403
  104    HA   GLN  14           HA       GLN  14   9.998   9.695  -3.000
  105    HB2  GLN  14           HB2      GLN  14   8.181   9.546  -0.623
  106    HB3  GLN  14           HB1      GLN  14   9.529  10.679  -0.734
  107    HG2  GLN  14           HG2      GLN  14   8.548  11.565  -2.815
  108    HG3  GLN  14           HG1      GLN  14   7.160  10.515  -2.574
  109   HE21  GLN  14          HE21      GLN  14   8.796  13.382  -1.555
  110   HE22  GLN  14          HE22      GLN  14   7.559  13.976  -0.495
  111    H    PHE  15           HN       PHE  15   9.362   6.905  -1.094
  112    HA   PHE  15           HA       PHE  15  12.007   6.983   0.147
  113    HB2  PHE  15           HB2      PHE  15   9.767   4.978   0.479
  114    HB3  PHE  15           HB1      PHE  15  11.275   4.980   1.378
  115    HD1  PHE  15           HD2      PHE  15  11.735   7.481   2.377
  116    HD2  PHE  15           HD1      PHE  15   7.956   5.672   1.695
  117    HE1  PHE  15           HE2      PHE  15  10.748   8.920   4.090
  118    HE2  PHE  15           HE1      PHE  15   6.948   7.119   3.407
  119    HZ   PHE  15           HZ       PHE  15   8.254   8.694   4.582
  120    H    GLY  16           HN       GLY  16  10.021   4.651  -1.670
  121    HA2  GLY  16           HA2      GLY  16  11.932   2.704  -2.118
  122    HA3  GLY  16           HA1      GLY  16  10.561   3.023  -3.160
  123    H    LYS  17           HN       LYS  17  10.956   5.223  -4.445
  124    HA   LYS  17           HA       LYS  17  13.018   4.431  -6.241
  125    HB2  LYS  17           HB2      LYS  17  11.482   6.995  -6.381
  126    HB3  LYS  17           HB1      LYS  17  12.161   6.044  -7.699
  127    HG2  LYS  17           HG2      LYS  17   9.847   5.233  -5.960
  128    HG3  LYS  17           HG1      LYS  17   9.737   5.878  -7.590
  129    HD2  LYS  17           HD2      LYS  17  11.183   3.905  -8.304
  130    HD3  LYS  17           HD1      LYS  17  10.854   3.223  -6.703
  131    HE2  LYS  17           HE2      LYS  17   9.293   2.385  -8.387
  132    HE3  LYS  17           HE1      LYS  17   8.470   3.316  -7.135
  133    HZ1  LYS  17           HZ1      LYS  17   9.261   4.414  -9.780
  134    HZ2  LYS  17           HZ2      LYS  17   8.300   5.178  -8.608
  135    HZ3  LYS  17           HZ3      LYS  17   7.718   3.815  -9.426
  136    H    GLU  18           HN       GLU  18  12.804   6.611  -3.608
  137    HA   GLU  18           HA       GLU  18  15.029   8.244  -4.206
  138    HB2  GLU  18           HB2      GLU  18  13.514   8.775  -2.399
  139    HB3  GLU  18           HB1      GLU  18  13.929   7.296  -1.549
  140    HG2  GLU  18           HG2      GLU  18  16.083   9.265  -2.163
  141    HG3  GLU  18           HG1      GLU  18  14.941   9.636  -0.877
  142    H    SER  19           HN       SER  19  14.727   5.112  -2.559
  143    HA   SER  19           HA       SER  19  17.448   4.534  -2.275
  144    HB2  SER  19           HB2      SER  19  15.232   2.596  -2.930
  145    HB3  SER  19           HB1      SER  19  16.784   2.206  -2.181
  146    HG   SER  19           HG       SER  19  15.956   3.939  -0.569
  147    H    CYS  20           HN       CYS  20  15.238   4.003  -4.963
  148    HA   CYS  20           HA       CYS  20  17.020   2.797  -6.739
  149    HB2  CYS  20           HB2      CYS  20  14.971   2.656  -7.658
  150    HB3  CYS  20           HB1      CYS  20  14.413   4.132  -6.885
  151    HG   CYS  20           HG       CYS  20  16.561   4.490  -9.471
  152    H    ASN  21           HN       ASN  21  16.403   6.205  -6.062
  153    HA   ASN  21           HA       ASN  21  18.009   7.260  -8.128
  154    HB2  ASN  21           HB2      ASN  21  16.728   8.322  -5.681
  155    HB3  ASN  21           HB1      ASN  21  18.084   9.240  -6.329
  156   HD21  ASN  21          HD21      ASN  21  14.842   8.104  -6.940
  157   HD22  ASN  21          HD22      ASN  21  14.522   9.157  -8.279
  158    H    SER  22           HN       SER  22  18.734   6.294  -4.817
  159    HA   SER  22           HA       SER  22  21.382   7.384  -4.925
  160    HB2  SER  22           HB2      SER  22  21.625   5.960  -2.769
  161    HB3  SER  22           HB1      SER  22  20.536   7.345  -2.757
  162    HG   SER  22           HG       SER  22  18.853   6.052  -2.631
  163    H    GLY  23           HN       GLY  23  19.947   4.235  -5.597
  164    HA2  GLY  23           HA2      GLY  23  21.763   3.399  -7.400
  165    HA3  GLY  23           HA1      GLY  23  22.575   3.026  -5.895
  166    H    LEU  24           HN       LEU  24  19.365   2.627  -5.246
  167    HA   LEU  24           HA       LEU  24  19.592  -0.216  -5.306
  168    HB2  LEU  24           HB2      LEU  24  17.709   1.751  -4.271
  169    HB3  LEU  24           HB1      LEU  24  16.922   0.315  -4.897
  170    HG   LEU  24           HG       LEU  24  17.570   0.391  -2.401
  171   HD11  LEU  24          HD11      LEU  24  18.361  -1.945  -4.125
  172   HD12  LEU  24          HD12      LEU  24  16.741  -1.599  -3.516
  173   HD13  LEU  24          HD13      LEU  24  18.038  -2.001  -2.393
  174   HD21  LEU  24          HD21      LEU  24  19.854   1.155  -2.694
  175   HD22  LEU  24          HD22      LEU  24  20.222  -0.275  -3.666
  176   HD23  LEU  24          HD23      LEU  24  19.837  -0.443  -1.948
  177    H    ALA  25           HN       ALA  25  19.415  -1.385  -6.998
  178    HA   ALA  25           HA       ALA  25  18.366  -0.379  -9.461
  179    HB1  ALA  25           HB1      ALA  25  20.294  -1.875  -9.354
  180    HB2  ALA  25           HB2      ALA  25  19.021  -2.501 -10.401
  181    HB3  ALA  25           HB3      ALA  25  19.247  -3.175  -8.787
  182    H    SER  26           HN       SER  26  16.989  -2.111  -6.851
  183    HA   SER  26           HA       SER  26  15.019  -3.569  -8.238
  184    HB2  SER  26           HB2      SER  26  13.899  -3.651  -6.009
  185    HB3  SER  26           HB1      SER  26  15.568  -4.210  -6.027
  186    HG   SER  26           HG       SER  26  15.645  -2.871  -4.378
  187    H    TYR  27           HN       TYR  27  14.751  -0.466  -6.471
  188    HA   TYR  27           HA       TYR  27  12.070  -0.026  -7.368
  189    HB2  TYR  27           HB2      TYR  27  13.891   2.143  -6.307
  190    HB3  TYR  27           HB1      TYR  27  12.139   2.001  -6.174
  191    HD1  TYR  27           HD2      TYR  27  11.186   0.139  -4.743
  192    HD2  TYR  27           HD1      TYR  27  15.283   1.332  -4.592
  193    HE1  TYR  27           HE2      TYR  27  11.417  -0.964  -2.565
  194    HE2  TYR  27           HE1      TYR  27  15.519   0.199  -2.422
  195    HH   TYR  27           HH       TYR  27  14.124  -0.473  -0.546
  196    H    CYS  28           HN       CYS  28  15.017   0.223  -8.890
  197    HA   CYS  28           HA       CYS  28  14.605   2.594 -10.413
  198    HB2  CYS  28           HB2      CYS  28  16.839   1.549  -9.908
  199    HB3  CYS  28           HB1      CYS  28  16.433   0.277 -11.051
  200    HG   CYS  28           HG       CYS  28  18.015   2.957 -11.686
  201    H    GLY  29           HN       GLY  29  13.087   2.788 -11.935
  202    HA2  GLY  29           HA2      GLY  29  11.701   2.279 -13.705
  203    HA3  GLY  29           HA1      GLY  29  12.711   0.871 -14.007
  204    H    ALA  30           HN       ALA  30  11.277   1.378 -10.904
  205    HA   ALA  30           HA       ALA  30   9.555  -0.954 -11.371
  206    HB1  ALA  30           HB1      ALA  30  11.256  -1.407  -9.748
  207    HB2  ALA  30           HB2      ALA  30   9.697  -1.300  -8.925
  208    HB3  ALA  30           HB3      ALA  30  10.836   0.046  -8.843
  209    H    ALA  31           HN       ALA  31   7.612  -1.047 -10.053
  210    HA   ALA  31           HA       ALA  31   6.334   1.568  -9.674
  211    HB1  ALA  31           HB1      ALA  31   4.232   0.301  -9.814
  212    HB2  ALA  31           HB2      ALA  31   5.163  -1.178 -10.088
  213    HB3  ALA  31           HB3      ALA  31   5.213   0.139 -11.270
  214    H    ILE  32           HN       ILE  32   6.453   2.159  -7.487
  215    HA   ILE  32           HA       ILE  32   6.458  -0.096  -5.610
  216    HB   ILE  32           HB       ILE  32   8.391   1.469  -5.412
  217   HG12  ILE  32          HG12      ILE  32   6.806   1.788  -2.906
  218   HG13  ILE  32          HG11      ILE  32   7.110   0.157  -3.480
  219   HG21  ILE  32          HG21      ILE  32   7.292   3.528  -5.999
  220   HG22  ILE  32          HG22      ILE  32   8.004   3.663  -4.387
  221   HG23  ILE  32          HG23      ILE  32   6.267   3.419  -4.566
  222   HD11  ILE  32          HD11      ILE  32   9.490   0.529  -3.391
  223   HD12  ILE  32          HD12      ILE  32   8.743   0.895  -1.828
  224   HD13  ILE  32          HD13      ILE  32   9.225   2.208  -2.902
  225    H    TYR  33           HN       TYR  33   5.006  -0.292  -4.007
  226    HA   TYR  33           HA       TYR  33   2.701   1.536  -4.085
  227    HB2  TYR  33           HB2      TYR  33   2.595  -1.479  -3.955
  228    HB3  TYR  33           HB1      TYR  33   1.219  -0.387  -3.979
  229    HD1  TYR  33           HD1      TYR  33   0.764   0.954  -6.051
  230    HD2  TYR  33           HD2      TYR  33   3.617  -2.197  -5.948
  231    HE1  TYR  33           HE1      TYR  33   0.709   0.839  -8.495
  232    HE2  TYR  33           HE2      TYR  33   3.580  -2.314  -8.404
  233    HH   TYR  33           HH       TYR  33   1.962   0.092 -10.333
  234    H    ALA  34           HN       ALA  34   1.427   1.594  -2.204
  235    HA   ALA  34           HA       ALA  34   2.837   0.918   0.258
  236    HB1  ALA  34           HB1      ALA  34   0.088   2.076   0.165
  237    HB2  ALA  34           HB2      ALA  34   1.483   3.081  -0.259
  238    HB3  ALA  34           HB3      ALA  34   1.382   2.339   1.343
  239    H    ARG  35           HN       ARG  35   2.543  -1.019   1.148
  240    HA   ARG  35           HA       ARG  35  -0.191  -2.033   1.152
  241    HB2  ARG  35           HB2      ARG  35   1.545  -3.162  -0.552
  242    HB3  ARG  35           HB1      ARG  35   1.939  -4.094   0.882
  243    HG2  ARG  35           HG2      ARG  35   0.256  -5.245  -0.421
  244    HG3  ARG  35           HG1      ARG  35  -0.429  -4.705   1.113
  245    HD2  ARG  35           HD2      ARG  35  -1.945  -4.287  -0.787
  246    HD3  ARG  35           HD1      ARG  35  -1.460  -2.794   0.019
  247    HE   ARG  35           HE       ARG  35   0.310  -3.283  -2.099
  248   HH11  ARG  35          HH11      ARG  35  -3.073  -2.526  -1.686
  249   HH12  ARG  35          HH12      ARG  35  -3.184  -1.625  -3.162
  250   HH21  ARG  35          HH21      ARG  35   0.169  -2.112  -4.054
  251   HH22  ARG  35          HH22      ARG  35  -1.333  -1.382  -4.513
  252    H    TYR  36           HN       TYR  36  -0.808  -2.151   3.138
  253    HA   TYR  36           HA       TYR  36   0.965  -2.422   5.380
  254    HB2  TYR  36           HB2      TYR  36  -1.350  -1.295   5.329
  255    HB3  TYR  36           HB1      TYR  36  -2.022  -2.921   5.348
  256    HD1  TYR  36           HD1      TYR  36   0.260  -0.674   7.279
  257    HD2  TYR  36           HD2      TYR  36  -2.377  -4.002   7.331
  258    HE1  TYR  36           HE1      TYR  36   0.406  -0.754   9.734
  259    HE2  TYR  36           HE2      TYR  36  -2.264  -4.085   9.765
  260    HH   TYR  36           HH       TYR  36  -0.855  -1.591  11.642
  261    H    ASP  37           HN       ASP  37   2.091  -4.342   4.913
  262    HA   ASP  37           HA       ASP  37   0.682  -6.828   5.339
  263    HB2  ASP  37           HB2      ASP  37   0.995  -6.049   2.684
  264    HB3  ASP  37           HB1      ASP  37   2.395  -7.081   2.978
  265    H    LYS  38           HN       LYS  38   2.670  -8.577   4.602
  266    HA   LYS  38           HA       LYS  38   4.564  -8.100   6.724
  267    HB2  LYS  38           HB2      LYS  38   4.555 -10.290   4.628
  268    HB3  LYS  38           HB1      LYS  38   5.425 -10.311   6.150
  269    HG2  LYS  38           HG2      LYS  38   3.426 -10.542   7.395
  270    HG3  LYS  38           HG1      LYS  38   2.423 -10.195   5.980
  271    HD2  LYS  38           HD2      LYS  38   4.084 -12.637   6.560
  272    HD3  LYS  38           HD1      LYS  38   2.335 -12.533   6.356
  273    HE2  LYS  38           HE2      LYS  38   2.744 -11.791   4.011
  274    HE3  LYS  38           HE1      LYS  38   4.448 -12.162   4.260
  275    HZ1  LYS  38           HZ1      LYS  38   2.190 -14.082   4.436
  276    HZ2  LYS  38           HZ2      LYS  38   3.806 -14.461   4.768
  277    HZ3  LYS  38           HZ3      LYS  38   3.352 -14.008   3.201
  278    H    GLY  39           HN       GLY  39   6.761  -7.815   6.535
  279    HA2  GLY  39           HA2      GLY  39   7.706  -6.815   3.941
  280    HA3  GLY  39           HA1      GLY  39   8.496  -6.564   5.497
  281    H    ASN  40           HN       ASN  40  10.384  -7.595   5.572
  282    HA   ASN  40           HA       ASN  40  10.983  -9.955   4.094
  283    HB2  ASN  40           HB2      ASN  40  12.768  -8.453   4.839
  284    HB3  ASN  40           HB1      ASN  40  12.332  -8.729   6.529
  285   HD21  ASN  40          HD21      ASN  40  14.259  -9.546   7.168
  286   HD22  ASN  40          HD22      ASN  40  14.896 -11.057   6.615
  287    H    SER  41           HN       SER  41  11.728 -12.003   5.450
  288    HA   SER  41           HA       SER  41   9.405 -13.276   6.176
  289    HB2  SER  41           HB2      SER  41  11.070 -14.922   7.332
  290    HB3  SER  41           HB1      SER  41  11.143 -14.681   5.585
  291    HG   SER  41           HG       SER  41  13.151 -14.195   5.954
  292    H    SER  42           HN       SER  42  11.740 -11.749   8.387
  293    HA   SER  42           HA       SER  42  10.404 -12.661  10.743
  294    HB2  SER  42           HB2      SER  42  11.908 -10.872  11.818
  295    HB3  SER  42           HB1      SER  42  12.708 -12.203  10.981
  296    HG   SER  42           HG       SER  42  13.527 -10.077  10.461
  297    H    GLN  43           HN       GLN  43   9.902 -10.113   8.555
  298    HA   GLN  43           HA       GLN  43   8.531  -8.392  10.468
  299    HB2  GLN  43           HB2      GLN  43   9.213  -7.990   7.555
  300    HB3  GLN  43           HB1      GLN  43   8.408  -6.800   8.570
  301    HG2  GLN  43           HG2      GLN  43  10.379  -6.737  10.030
  302    HG3  GLN  43           HG1      GLN  43  11.182  -7.894   8.970
  303   HE21  GLN  43          HE21      GLN  43  11.927  -5.165   9.695
  304   HE22  GLN  43          HE22      GLN  43  12.058  -4.291   8.204
  305    H    GLN  44           HN       GLN  44   7.432 -10.984   9.647
  306    HA   GLN  44           HA       GLN  44   5.378 -10.711   7.756
  307    HB2  GLN  44           HB2      GLN  44   4.356 -12.649   9.065
  308    HB3  GLN  44           HB1      GLN  44   5.883 -12.902   8.219
  309    HG2  GLN  44           HG2      GLN  44   6.999 -12.406  10.434
  310    HG3  GLN  44           HG1      GLN  44   5.386 -12.517  11.141
  311   HE21  GLN  44          HE21      GLN  44   7.893 -14.243   9.461
  312   HE22  GLN  44          HE22      GLN  44   7.340 -15.827   9.876
  313    H    THR  45           HN       THR  45   5.537  -9.249  10.789
  314    HA   THR  45           HA       THR  45   2.654  -9.222  11.123
  315    HB   THR  45           HB       THR  45   3.164  -7.682  13.046
  316    HG1  THR  45           HG1      THR  45   5.113  -6.867  13.117
  317   HG21  THR  45          HG21      THR  45   4.401 -10.422  12.870
  318   HG22  THR  45          HG22      THR  45   2.821  -9.974  13.521
  319   HG23  THR  45          HG23      THR  45   4.289  -9.518  14.385
  320    H    LYS  46           HN       LYS  46   1.369  -7.764  10.192
  321    HA   LYS  46           HA       LYS  46   2.474  -6.275   8.088
  322    HB2  LYS  46           HB2      LYS  46  -0.293  -6.001   9.219
  323    HB3  LYS  46           HB1      LYS  46   0.247  -5.407   7.667
  324    HG2  LYS  46           HG2      LYS  46   0.875  -7.926   7.287
  325    HG3  LYS  46           HG1      LYS  46  -0.358  -8.176   8.524
  326    HD2  LYS  46           HD2      LYS  46  -1.933  -6.821   7.164
  327    HD3  LYS  46           HD1      LYS  46  -0.696  -6.675   5.933
  328    HE2  LYS  46           HE2      LYS  46  -0.645  -9.176   5.801
  329    HE3  LYS  46           HE1      LYS  46  -2.054  -9.182   6.855
  330    HZ1  LYS  46           HZ1      LYS  46  -1.858  -8.025   4.129
  331    HZ2  LYS  46           HZ2      LYS  46  -3.180  -7.780   5.163
  332    HZ3  LYS  46           HZ3      LYS  46  -2.809  -9.339   4.626
  333    H    GLU  47           HN       GLU  47   3.207  -4.386   7.913
  334    HA   GLU  47           HA       GLU  47   2.055  -2.168   9.426
  335    HB2  GLU  47           HB2      GLU  47   4.989  -2.836   9.358
  336    HB3  GLU  47           HB1      GLU  47   4.459  -1.162   9.433
  337    HG2  GLU  47           HG2      GLU  47   3.546  -1.416  11.520
  338    HG3  GLU  47           HG1      GLU  47   3.444  -3.161  11.384
  339    H    TRP  48           HN       TRP  48   2.217  -0.200   8.287
  340    HA   TRP  48           HA       TRP  48   2.077  -0.409   5.512
  341    HB2  TRP  48           HB2      TRP  48   2.470   1.915   7.360
  342    HB3  TRP  48           HB1      TRP  48   2.569   2.126   5.617
  343    HD1  TRP  48           HD1      TRP  48   0.148   2.350   8.299
  344    HE1  TRP  48           HE1      TRP  48  -2.264   2.298   7.348
  345    HE3  TRP  48           HE3      TRP  48   1.159   0.631   3.609
  346    HZ2  TRP  48           HZ2      TRP  48  -3.550   1.583   4.930
  347    HZ3  TRP  48           HZ3      TRP  48  -0.698   0.281   2.039
  348    HH2  TRP  48           HH2      TRP  48  -3.009   0.742   2.693
  349    H    ARG  49           HN       ARG  49   3.650  -1.003   4.242
  350    HA   ARG  49           HA       ARG  49   6.274   0.231   4.639
  351    HB2  ARG  49           HB2      ARG  49   5.656  -2.668   4.033
  352    HB3  ARG  49           HB1      ARG  49   7.249  -1.959   3.814
  353    HG2  ARG  49           HG2      ARG  49   7.604  -1.716   6.081
  354    HG3  ARG  49           HG1      ARG  49   5.885  -1.757   6.465
  355    HD2  ARG  49           HD2      ARG  49   5.813  -4.130   5.906
  356    HD3  ARG  49           HD1      ARG  49   7.524  -4.094   5.487
  357    HE   ARG  49           HE       ARG  49   7.850  -3.436   7.896
  358   HH11  ARG  49          HH11      ARG  49   5.161  -5.405   6.870
  359   HH12  ARG  49          HH12      ARG  49   5.008  -6.202   8.409
  360   HH21  ARG  49          HH21      ARG  49   7.650  -4.489   9.912
  361   HH22  ARG  49          HH22      ARG  49   6.416  -5.687  10.124
  362    H    CYS  50           HN       CYS  50   7.539   0.203   2.603
  363    HA   CYS  50           HA       CYS  50   5.703   0.653   0.367
  364    HB2  CYS  50           HB2      CYS  50   8.623   1.424   0.676
  365    HB3  CYS  50           HB1      CYS  50   7.532   1.951  -0.608
  366    HG   CYS  50           HG       CYS  50   5.832   3.282   1.318
  367    H    TYR  51           HN       TYR  51   5.554  -0.854  -1.083
  368    HA   TYR  51           HA       TYR  51   7.733  -2.822  -1.360
  369    HB2  TYR  51           HB2      TYR  51   4.755  -3.267  -1.609
  370    HB3  TYR  51           HB1      TYR  51   5.983  -4.492  -1.852
  371    HD1  TYR  51           HD1      TYR  51   7.728  -4.159   0.451
  372    HD2  TYR  51           HD2      TYR  51   3.508  -3.865   0.151
  373    HE1  TYR  51           HE1      TYR  51   7.525  -4.811   2.813
  374    HE2  TYR  51           HE2      TYR  51   3.286  -4.494   2.515
  375    HH   TYR  51           HH       TYR  51   4.696  -5.823   4.178
  376    H    ILE  52           HN       ILE  52   8.577  -2.713  -3.385
  377    HA   ILE  52           HA       ILE  52   7.126  -1.429  -5.465
  378    HB   ILE  52           HB       ILE  52   8.965  -2.666  -6.899
  379   HG12  ILE  52          HG12      ILE  52  10.157  -2.548  -4.169
  380   HG13  ILE  52          HG11      ILE  52   9.791  -4.026  -5.067
  381   HG21  ILE  52          HG21      ILE  52   8.634  -0.216  -6.477
  382   HG22  ILE  52          HG22      ILE  52  10.311  -0.720  -6.688
  383   HG23  ILE  52          HG23      ILE  52   9.687  -0.401  -5.068
  384   HD11  ILE  52          HD11      ILE  52  11.363  -3.460  -6.761
  385   HD12  ILE  52          HD12      ILE  52  12.166  -3.322  -5.197
  386   HD13  ILE  52          HD13      ILE  52  11.634  -1.862  -6.048
  387    H    GLU  53           HN       GLU  53   6.392  -2.438  -7.428
  388    HA   GLU  53           HA       GLU  53   4.593  -4.479  -7.020
  389    HB2  GLU  53           HB2      GLU  53   4.442  -2.904  -8.864
  390    HB3  GLU  53           HB1      GLU  53   5.866  -3.602  -9.622
  391    HG2  GLU  53           HG2      GLU  53   4.711  -5.688  -9.957
  392    HG3  GLU  53           HG1      GLU  53   3.304  -5.076  -9.074
  393    H    LYS  54           HN       LYS  54   7.938  -4.634  -7.763
  394    HA   LYS  54           HA       LYS  54   8.302  -7.213  -8.654
  395    HB2  LYS  54           HB2      LYS  54   9.915  -5.332  -6.951
  396    HB3  LYS  54           HB1      LYS  54  10.459  -6.987  -7.114
  397    HG2  LYS  54           HG2      LYS  54  10.649  -6.738  -9.486
  398    HG3  LYS  54           HG1      LYS  54   9.933  -5.124  -9.403
  399    HD2  LYS  54           HD2      LYS  54  11.802  -4.331  -8.085
  400    HD3  LYS  54           HD1      LYS  54  12.502  -5.953  -8.060
  401    HE2  LYS  54           HE2      LYS  54  11.911  -4.464 -10.574
  402    HE3  LYS  54           HE1      LYS  54  13.464  -4.331  -9.747
  403    HZ1  LYS  54           HZ1      LYS  54  12.247  -6.808 -10.871
  404    HZ2  LYS  54           HZ2      LYS  54  13.667  -6.772  -9.949
  405    HZ3  LYS  54           HZ3      LYS  54  13.623  -5.997 -11.455
  406    H    GLU  55           HN       GLU  55   7.599  -6.024  -5.442
  407    HA   GLU  55           HA       GLU  55   8.238  -8.607  -4.257
  408    HB2  GLU  55           HB2      GLU  55   7.715  -5.987  -2.896
  409    HB3  GLU  55           HB1      GLU  55   8.453  -7.415  -2.198
  410    HG2  GLU  55           HG2      GLU  55   9.625  -5.839  -4.469
  411    HG3  GLU  55           HG1      GLU  55  10.078  -5.634  -2.777
  412    H    LEU  56           HN       LEU  56   5.491  -6.636  -4.996
  413    HA   LEU  56           HA       LEU  56   3.736  -7.870  -3.099
  414    HB2  LEU  56           HB2      LEU  56   3.275  -6.177  -5.537
  415    HB3  LEU  56           HB1      LEU  56   1.954  -6.925  -4.681
  416    HG   LEU  56           HG       LEU  56   2.701  -5.649  -2.599
  417   HD11  LEU  56          HD11      LEU  56   4.334  -4.210  -4.703
  418   HD12  LEU  56          HD12      LEU  56   4.985  -5.207  -3.401
  419   HD13  LEU  56          HD13      LEU  56   4.121  -3.717  -3.024
  420   HD21  LEU  56          HD21      LEU  56   0.806  -4.933  -3.928
  421   HD22  LEU  56          HD22      LEU  56   1.869  -4.136  -5.094
  422   HD23  LEU  56          HD23      LEU  56   1.751  -3.525  -3.436
  423    H    ASP  57           HN       ASP  57   1.753  -8.947  -3.924
  424    HA   ASP  57           HA       ASP  57   2.179 -10.541  -6.353
  425    HB2  ASP  57           HB2      ASP  57   2.590 -11.982  -4.377
  426    HB3  ASP  57           HB1      ASP  57   0.996 -11.573  -3.759
  427    H    PHE  58           HN       PHE  58   0.633 -10.050  -7.748
  428    HA   PHE  58           HA       PHE  58  -1.840  -8.859  -6.810
  429    HB2  PHE  58           HB2      PHE  58  -0.556  -9.197  -9.486
  430    HB3  PHE  58           HB1      PHE  58  -2.274  -8.824  -9.380
  431    HD1  PHE  58           HD1      PHE  58   1.100  -7.607  -8.439
  432    HD2  PHE  58           HD2      PHE  58  -3.030  -6.681  -8.870
  433    HE1  PHE  58           HE1      PHE  58   1.620  -5.222  -8.166
  434    HE2  PHE  58           HE2      PHE  58  -2.517  -4.281  -8.611
  435    HZ   PHE  58           HZ       PHE  58  -0.192  -3.553  -8.255
  436    H    SER  59           HN       SER  59  -0.797 -11.929  -7.090
  437    HA   SER  59           HA       SER  59  -3.394 -13.029  -7.812
  438    HB2  SER  59           HB2      SER  59  -1.327 -14.219  -8.480
  439    HB3  SER  59           HB1      SER  59  -0.951 -14.442  -6.777
  440    HG   SER  59           HG       SER  59  -3.146 -15.457  -6.717
  441    H    LYS  60           HN       LYS  60  -2.006 -11.497  -5.350
  442    HA   LYS  60           HA       LYS  60  -3.521 -12.812  -3.232
  443    HB2  LYS  60           HB2      LYS  60  -1.159 -10.986  -3.369
  444    HB3  LYS  60           HB1      LYS  60  -2.209 -10.886  -1.978
  445    HG2  LYS  60           HG2      LYS  60  -1.489 -13.609  -2.554
  446    HG3  LYS  60           HG1      LYS  60  -0.072 -12.591  -2.318
  447    HD2  LYS  60           HD2      LYS  60  -0.842 -13.586  -0.216
  448    HD3  LYS  60           HD1      LYS  60  -0.970 -11.825  -0.188
  449    HE2  LYS  60           HE2      LYS  60  -3.360 -12.048  -0.817
  450    HE3  LYS  60           HE1      LYS  60  -3.196 -13.796  -0.674
  451    HZ1  LYS  60           HZ1      LYS  60  -2.895 -11.796   1.498
  452    HZ2  LYS  60           HZ2      LYS  60  -2.513 -13.436   1.669
  453    HZ3  LYS  60           HZ3      LYS  60  -4.112 -12.966   1.345
  454    H    SER  61           HN       SER  61  -5.490 -11.914  -2.786
  455    HA   SER  61           HA       SER  61  -5.900  -9.116  -3.439
  456    HB2  SER  61           HB2      SER  61  -8.140  -9.467  -2.337
  457    HB3  SER  61           HB1      SER  61  -7.855 -10.425  -3.788
  458    HG   SER  61           HG       SER  61  -7.003 -11.863  -1.730
  459    H    GLY  62           HN       GLY  62  -5.353  -7.582  -2.093
  460    HA2  GLY  62           HA2      GLY  62  -4.254  -8.489   0.466
  461    HA3  GLY  62           HA1      GLY  62  -3.749  -7.056  -0.412
  462    H    ASP  63           HN       ASP  63  -5.484  -8.235   2.128
  463    HA   ASP  63           HA       ASP  63  -7.349  -6.039   2.396
  464    HB2  ASP  63           HB2      ASP  63  -7.772  -7.075   4.634
  465    HB3  ASP  63           HB1      ASP  63  -7.938  -8.228   3.312
  466    H    GLY  64           HN       GLY  64  -4.616  -5.349   2.035
  467    HA2  GLY  64           HA2      GLY  64  -3.970  -4.123   4.642
  468    HA3  GLY  64           HA1      GLY  64  -2.718  -4.871   3.657
  469    H    CYS  65           HN       CYS  65  -5.255  -3.285   2.028
  470    HA   CYS  65           HA       CYS  65  -3.490  -1.006   1.369
  471    HB2  CYS  65           HB2      CYS  65  -6.131  -1.527   0.039
  472    HB3  CYS  65           HB1      CYS  65  -4.655  -0.851  -0.641
  473    HG   CYS  65           HG       CYS  65  -5.398  -4.137  -0.102
  474    H    VAL  66           HN       VAL  66  -4.808   1.089   1.142
  475    HA   VAL  66           HA       VAL  66  -6.966   1.117   3.141
  476    HB   VAL  66           HB       VAL  66  -5.320   2.407   4.186
  477   HG11  VAL  66          HG11      VAL  66  -3.919   4.053   3.049
  478   HG12  VAL  66          HG12      VAL  66  -4.720   3.673   1.521
  479   HG13  VAL  66          HG13      VAL  66  -3.746   2.445   2.339
  480   HG21  VAL  66          HG21      VAL  66  -6.475   4.712   2.712
  481   HG22  VAL  66          HG22      VAL  66  -6.258   4.467   4.456
  482   HG23  VAL  66          HG23      VAL  66  -7.574   3.648   3.599
  483    H    ASP  67           HN       ASP  67  -8.677   2.481   2.702
  484    HA   ASP  67           HA       ASP  67  -9.336   2.661  -0.106
  485    HB2  ASP  67           HB2      ASP  67 -10.895   1.849   1.716
  486    HB3  ASP  67           HB1      ASP  67 -10.930   3.496   2.330
  487    H    ASP  68           HN       ASP  68 -10.936   5.101   0.059
  488    HA   ASP  68           HA       ASP  68  -8.793   7.036  -0.057
  489    HB2  ASP  68           HB2      ASP  68 -11.768   7.380  -0.384
  490    HB3  ASP  68           HB1      ASP  68 -10.689   8.751  -0.277
  491    H    CYS  69           HN       CYS  69 -11.239   6.049   2.203
  492    HA   CYS  69           HA       CYS  69 -10.256   7.987   4.168
  493    HB2  CYS  69           HB2      CYS  69 -12.649   7.556   4.221
  494    HB3  CYS  69           HB1      CYS  69 -12.379   5.819   4.284
  495    HG   CYS  69           HG       CYS  69 -12.554   5.676   6.817
  496    H    GLY  70           HN       GLY  70  -9.122   7.249   6.085
  497    HA2  GLY  70           HA2      GLY  70  -7.342   5.070   5.564
  498    HA3  GLY  70           HA1      GLY  70  -7.428   6.012   7.052
  499    H    SER  71           HN       SER  71  -9.276   3.638   5.253
  500    HA   SER  71           HA       SER  71  -9.245   1.873   7.588
  501    HB2  SER  71           HB2      SER  71 -11.572   2.306   5.689
  502    HB3  SER  71           HB1      SER  71 -11.528   1.139   7.014
  503    HG   SER  71           HG       SER  71 -10.932   3.365   8.156
  504    H    MET  72           HN       MET  72  -8.776  -0.271   6.986
  505    HA   MET  72           HA       MET  72  -7.318  -0.404   4.555
  506    HB2  MET  72           HB2      MET  72  -8.023  -2.644   6.443
  507    HB3  MET  72           HB1      MET  72  -6.848  -2.719   5.137
  508    HG2  MET  72           HG2      MET  72  -5.496  -1.018   6.217
  509    HG3  MET  72           HG1      MET  72  -6.676  -0.895   7.521
  510    HE1  MET  72           HE1      MET  72  -7.091  -2.746   9.339
  511    HE2  MET  72           HE2      MET  72  -6.354  -4.348   9.299
  512    HE3  MET  72           HE3      MET  72  -7.513  -3.878   8.054
  513    H    THR  73           HN       THR  73  -7.960  -0.804   2.633
  514    HA   THR  73           HA       THR  73 -10.489  -2.203   2.194
  515    HB   THR  73           HB       THR  73 -10.265   0.074   1.187
  516    HG1  THR  73           HG1      THR  73 -11.156  -0.569  -0.769
  517   HG21  THR  73          HG21      THR  73  -8.176  -1.258  -0.544
  518   HG22  THR  73          HG22      THR  73  -7.868  -0.010   0.665
  519   HG23  THR  73          HG23      THR  73  -8.827   0.366  -0.769
  520    H    SER  74           HN       SER  74 -10.577  -3.864   0.577
  521    HA   SER  74           HA       SER  74  -8.116  -5.390   0.494
  522    HB2  SER  74           HB2      SER  74  -9.629  -7.220  -0.328
  523    HB3  SER  74           HB1      SER  74 -10.090  -6.565   1.243
  524    HG   SER  74           HG       SER  74 -11.207  -5.568  -1.153
  525    H    CYS  75           HN       CYS  75  -6.812  -5.043  -1.171
  526    HA   CYS  75           HA       CYS  75  -7.935  -5.005  -3.876
  527    HB2  CYS  75           HB2      CYS  75  -7.645  -2.646  -3.206
  528    HB3  CYS  75           HB1      CYS  75  -5.943  -2.962  -2.901
  529    HG   CYS  75           HG       CYS  75  -7.370  -2.035  -5.680
  530    H    ARG  76           HN       ARG  76  -6.330  -5.519  -5.539
  531    HA   ARG  76           HA       ARG  76  -4.804  -7.713  -4.494
  532    HB2  ARG  76           HB2      ARG  76  -5.580  -6.853  -7.234
  533    HB3  ARG  76           HB1      ARG  76  -4.280  -8.006  -7.017
  534    HG2  ARG  76           HG2      ARG  76  -6.227  -9.276  -7.301
  535    HG3  ARG  76           HG1      ARG  76  -5.836  -9.338  -5.585
  536    HD2  ARG  76           HD2      ARG  76  -8.030  -8.834  -5.435
  537    HD3  ARG  76           HD1      ARG  76  -7.332  -7.225  -5.523
  538    HE   ARG  76           HE       ARG  76  -8.297  -8.528  -7.972
  539   HH11  ARG  76          HH11      ARG  76  -8.538  -5.929  -5.627
  540   HH12  ARG  76          HH12      ARG  76  -9.515  -4.916  -6.646
  541   HH21  ARG  76          HH21      ARG  76  -9.605  -7.220  -9.311
  542   HH22  ARG  76          HH22      ARG  76 -10.113  -5.656  -8.754
  543    H    GLY  77           HN       GLY  77  -2.807  -7.628  -3.914
  544    HA2  GLY  77           HA2      GLY  77  -0.589  -7.073  -5.227
  545    HA3  GLY  77           HA1      GLY  77  -1.094  -5.456  -4.793
  546    H    SER  78           HN       SER  78  -0.341  -8.605  -3.410
  547    HA   SER  78           HA       SER  78   0.520  -7.162  -1.016
  548    HB2  SER  78           HB2      SER  78  -1.784  -8.922  -1.244
  549    HB3  SER  78           HB1      SER  78  -0.690  -9.419   0.039
  550    HG   SER  78           HG       SER  78  -1.200  -7.685   1.159
  551    H    VAL  79           HN       VAL  79   1.946  -8.102   0.280
  552    HA   VAL  79           HA       VAL  79   3.874  -9.630  -1.077
  553    HB   VAL  79           HB       VAL  79   3.746  -8.763   1.792
  554   HG11  VAL  79          HG11      VAL  79   5.337 -10.580   1.484
  555   HG12  VAL  79          HG12      VAL  79   6.165  -9.058   1.820
  556   HG13  VAL  79          HG13      VAL  79   6.106  -9.688   0.172
  557   HG21  VAL  79          HG21      VAL  79   5.197  -6.921   1.061
  558   HG22  VAL  79          HG22      VAL  79   3.625  -6.892   0.260
  559   HG23  VAL  79          HG23      VAL  79   5.046  -7.482  -0.603
  560    H    SER  80           HN       SER  80   3.313 -11.712  -1.488
  561    HA   SER  80           HA       SER  80   2.009 -13.389   0.417
  562    HB2  SER  80           HB2      SER  80   2.556 -15.183  -1.286
  563    HB3  SER  80           HB1      SER  80   1.604 -13.825  -1.891
  564    HG   SER  80           HG       SER  80   3.299 -14.311  -3.325
  565    H    GLY  81           HN       GLY  81   5.212 -13.686  -1.119
  566    HA2  GLY  81           HA2      GLY  81   6.219 -14.971   1.324
  567    HA3  GLY  81           HA1      GLY  81   7.039 -14.956  -0.236
  568    HA   PRO  82           HA       PRO  82   8.653 -11.787   3.068
  569    HB2  PRO  82           HB2      PRO  82  11.224 -12.581   2.403
  570    HB3  PRO  82           HB1      PRO  82  10.351 -12.992   3.871
  571    HG2  PRO  82           HG2      PRO  82  10.632 -14.557   1.334
  572    HG3  PRO  82           HG1      PRO  82  10.625 -15.130   3.016
  573    HD2  PRO  82           HD2      PRO  82   8.486 -15.457   1.518
  574    HD3  PRO  82           HD1      PRO  82   8.292 -14.877   3.192
  575    H    SER  83           HN       SER  83   8.634  -9.830   2.238
  576    HA   SER  83           HA       SER  83   9.587  -9.269  -0.438
  577    HB2  SER  83           HB2      SER  83   7.591  -8.105   0.323
  578    HB3  SER  83           HB1      SER  83   8.446  -7.497   1.741
  579    HG   SER  83           HG       SER  83   9.190  -6.892  -0.930
  580    H    THR  84           HN       THR  84  11.511  -8.377  -0.957
  581    HA   THR  84           HA       THR  84  13.307  -7.759   1.294
  582    HB   THR  84           HB       THR  84  14.308  -8.128  -1.496
  583    HG1  THR  84           HG1      THR  84  12.832  -9.957  -0.421
  584   HG21  THR  84          HG21      THR  84  16.236  -9.069  -0.203
  585   HG22  THR  84          HG22      THR  84  15.362  -8.679   1.285
  586   HG23  THR  84          HG23      THR  84  15.867  -7.389   0.189
  587    H    SER  85           HN       SER  85  12.421  -6.697  -1.992
  588    HA   SER  85           HA       SER  85  13.741  -4.172  -1.672
  589    HB2  SER  85           HB2      SER  85  11.702  -5.016  -3.784
  590    HB3  SER  85           HB1      SER  85  12.794  -3.626  -3.857
  591    HG   SER  85           HG       SER  85  14.560  -5.151  -3.737
  592    H    HIS  86           HN       HIS  86  12.804  -3.281   0.222
  593    HA   HIS  86           HA       HIS  86  10.254  -2.017  -0.137
  594    HB2  HIS  86           HB2      HIS  86   9.007  -3.122   1.537
  595    HB3  HIS  86           HB1      HIS  86   9.690  -4.397   0.536
  596    HD1  HIS  86           HD1      HIS  86  12.234  -5.173   1.674
  597    HD2  HIS  86           HD2      HIS  86   9.197  -3.757   4.139
  598    HE1  HIS  86           HE1      HIS  86  12.799  -5.993   3.982
  599    HE2  HIS  86           HE2      HIS  86  10.964  -5.106   5.469
  600    H    LEU  87           HN       LEU  87   9.652  -0.633   1.620
  601    HA   LEU  87           HA       LEU  87  11.804  -0.049   3.545
  602    HB2  LEU  87           HB2      LEU  87  10.184   1.929   1.939
  603    HB3  LEU  87           HB1      LEU  87  11.212   2.384   3.284
  604    HG   LEU  87           HG       LEU  87  12.995   1.031   1.755
  605   HD11  LEU  87          HD11      LEU  87  11.401   0.563  -0.005
  606   HD12  LEU  87          HD12      LEU  87  12.669   1.643  -0.583
  607   HD13  LEU  87          HD13      LEU  87  11.074   2.287  -0.187
  608   HD21  LEU  87          HD21      LEU  87  13.234   3.303   2.679
  609   HD22  LEU  87          HD22      LEU  87  12.269   3.919   1.341
  610   HD23  LEU  87          HD23      LEU  87  13.830   3.169   1.026
  611    H    THR  88           HN       THR  88  11.027  -0.289   5.576
  612    HA   THR  88           HA       THR  88   8.165  -0.282   6.024
  613    HB   THR  88           HB       THR  88  10.300  -0.418   8.145
  614    HG1  THR  88           HG1      THR  88  10.770  -2.336   7.361
  615   HG21  THR  88          HG21      THR  88   7.463  -1.423   8.089
  616   HG22  THR  88          HG22      THR  88   8.031   0.016   8.945
  617   HG23  THR  88          HG23      THR  88   8.596  -1.588   9.430
  618    H    ARG  89           HN       ARG  89   7.574   1.858   5.543
  619    HA   ARG  89           HA       ARG  89   8.274   3.698   7.747
  620    HB2  ARG  89           HB2      ARG  89   7.411   4.423   4.939
  621    HB3  ARG  89           HB1      ARG  89   7.842   5.544   6.208
  622    HG2  ARG  89           HG2      ARG  89   9.728   3.534   5.074
  623    HG3  ARG  89           HG1      ARG  89   9.580   5.186   4.472
  624    HD2  ARG  89           HD2      ARG  89  10.890   4.154   6.882
  625    HD3  ARG  89           HD1      ARG  89  11.220   5.606   5.934
  626    HE   ARG  89           HE       ARG  89   9.441   6.712   7.174
  627   HH11  ARG  89          HH11      ARG  89  10.602   3.672   8.471
  628   HH12  ARG  89          HH12      ARG  89  10.163   4.045  10.111
  629   HH21  ARG  89          HH21      ARG  89   8.869   7.228   9.331
  630   HH22  ARG  89          HH22      ARG  89   9.175   6.065  10.602
  631    HA   PRO  90           HA       PRO  90   3.783   2.484   7.658
  632    HB2  PRO  90           HB2      PRO  90   4.053   1.823  10.454
  633    HB3  PRO  90           HB1      PRO  90   3.578   0.787   9.125
  634    HG2  PRO  90           HG2      PRO  90   5.953   0.523  10.441
  635    HG3  PRO  90           HG1      PRO  90   5.696   0.055   8.755
  636    HD2  PRO  90           HD2      PRO  90   7.033   2.466   9.853
  637    HD3  PRO  90           HD1      PRO  90   7.423   1.517   8.424
  638    H    SER  91           HN       SER  91   5.639   4.283  10.009
  639    HA   SER  91           HA       SER  91   3.546   5.828  11.086
  640    HB2  SER  91           HB2      SER  91   6.399   6.736  10.677
  641    HB3  SER  91           HB1      SER  91   5.280   7.218  11.956
  642    HG   SER  91           HG       SER  91   7.021   5.463  12.297
  643    H    GLU  92           HN       GLU  92   5.479   6.063   8.188
  644    HA   GLU  92           HA       GLU  92   4.680   8.781   7.659
  645    HB2  GLU  92           HB2      GLU  92   6.728   6.960   6.737
  646    HB3  GLU  92           HB1      GLU  92   5.977   7.823   5.398
  647    HG2  GLU  92           HG2      GLU  92   7.932   9.000   6.233
  648    HG3  GLU  92           HG1      GLU  92   6.465   9.946   6.485
  649    H    LEU  93           HN       LEU  93   3.998   5.566   6.284
  650    HA   LEU  93           HA       LEU  93   2.359   6.464   4.181
  651    HB2  LEU  93           HB2      LEU  93   2.522   3.905   5.710
  652    HB3  LEU  93           HB1      LEU  93   1.145   4.178   4.668
  653    HG   LEU  93           HG       LEU  93   2.661   2.900   3.411
  654   HD11  LEU  93          HD11      LEU  93   3.303   4.376   1.569
  655   HD12  LEU  93          HD12      LEU  93   3.018   5.779   2.600
  656   HD13  LEU  93          HD13      LEU  93   1.677   4.724   2.156
  657   HD21  LEU  93          HD21      LEU  93   5.003   3.491   3.051
  658   HD22  LEU  93          HD22      LEU  93   4.658   3.203   4.757
  659   HD23  LEU  93          HD23      LEU  93   4.829   4.853   4.159
  660    H    GLN  94           HN       GLN  94   1.497   5.522   7.506
  661    HA   GLN  94           HA       GLN  94  -1.298   5.953   7.092
  662    HB2  GLN  94           HB2      GLN  94   0.306   4.815   9.094
  663    HB3  GLN  94           HB1      GLN  94  -0.493   6.178   9.868
  664    HG2  GLN  94           HG2      GLN  94  -1.902   4.010   8.323
  665    HG3  GLN  94           HG1      GLN  94  -1.734   4.051  10.076
  666   HE21  GLN  94          HE21      GLN  94  -4.075   4.166   8.210
  667   HE22  GLN  94          HE22      GLN  94  -4.977   5.549   8.716
  668    H    ALA  95           HN       ALA  95   1.365   7.951   7.756
  669    HA   ALA  95           HA       ALA  95   0.089  10.173   8.932
  670    HB1  ALA  95           HB1      ALA  95   2.060  11.323   8.518
  671    HB2  ALA  95           HB2      ALA  95   2.403  10.387   7.061
  672    HB3  ALA  95           HB3      ALA  95   2.588   9.640   8.653
  673    H    VAL  96           HN       VAL  96   0.741   9.324   5.530
  674    HA   VAL  96           HA       VAL  96  -0.527  11.733   4.635
  675    HB   VAL  96           HB       VAL  96   0.629  11.392   2.769
  676   HG11  VAL  96          HG11      VAL  96   1.226   8.604   3.716
  677   HG12  VAL  96          HG12      VAL  96   2.164  10.052   4.089
  678   HG13  VAL  96          HG13      VAL  96   2.066   9.466   2.420
  679   HG21  VAL  96          HG21      VAL  96  -0.022   9.655   1.167
  680   HG22  VAL  96          HG22      VAL  96  -1.433  10.466   1.865
  681   HG23  VAL  96          HG23      VAL  96  -0.961   8.855   2.430
  682    H    ILE  97           HN       ILE  97  -1.415   8.407   5.234
  683    HA   ILE  97           HA       ILE  97  -3.965   8.451   4.092
  684    HB   ILE  97           HB       ILE  97  -2.846   7.145   6.535
  685   HG12  ILE  97          HG12      ILE  97  -4.202   5.677   4.343
  686   HG13  ILE  97          HG11      ILE  97  -2.663   6.450   3.959
  687   HG21  ILE  97          HG21      ILE  97  -5.701   6.957   5.610
  688   HG22  ILE  97          HG22      ILE  97  -5.138   7.712   7.102
  689   HG23  ILE  97          HG23      ILE  97  -4.951   5.973   6.868
  690   HD11  ILE  97          HD11      ILE  97  -1.551   5.210   5.669
  691   HD12  ILE  97          HD12      ILE  97  -2.463   4.090   4.655
  692   HD13  ILE  97          HD13      ILE  97  -3.083   4.548   6.241
  693    H    ASP  98           HN       ASP  98  -3.071   9.130   7.437
  694    HA   ASP  98           HA       ASP  98  -5.393  10.387   8.272
  695    HB2  ASP  98           HB2      ASP  98  -3.653   9.670   9.802
  696    HB3  ASP  98           HB1      ASP  98  -2.515  10.837   9.130
  697    H    SER  99           HN       SER  99  -2.708  11.728   6.446
  698    HA   SER  99           HA       SER  99  -3.593  14.460   6.824
  699    HB2  SER  99           HB2      SER  99  -1.235  14.081   6.841
  700    HB3  SER  99           HB1      SER  99  -1.284  13.294   5.264
  701    HG   SER  99           HG       SER  99  -1.187  15.189   4.367
  702    H    ASP 100           HN       ASP 100  -2.974  12.407   3.931
  703    HA   ASP 100           HA       ASP 100  -4.211  14.207   2.149
  704    HB2  ASP 100           HB2      ASP 100  -3.024  11.579   2.012
  705    HB3  ASP 100           HB1      ASP 100  -4.216  11.871   0.834
  706    H    LYS 101           HN       LYS 101  -5.590  11.988   4.338
  707    HA   LYS 101           HA       LYS 101  -7.981  11.281   3.158
  708    HB2  LYS 101           HB2      LYS 101  -7.053  11.849   5.864
  709    HB3  LYS 101           HB1      LYS 101  -8.779  12.156   5.649
  710    HG2  LYS 101           HG2      LYS 101  -9.231   9.979   5.433
  711    HG3  LYS 101           HG1      LYS 101  -7.713   9.661   4.586
  712    HD2  LYS 101           HD2      LYS 101  -7.288   8.660   6.604
  713    HD3  LYS 101           HD1      LYS 101  -6.638  10.252   6.877
  714    HE2  LYS 101           HE2      LYS 101  -9.381   9.366   7.709
  715    HE3  LYS 101           HE1      LYS 101  -7.965   9.398   8.757
  716    HZ1  LYS 101           HZ1      LYS 101  -9.110  11.787   7.401
  717    HZ2  LYS 101           HZ2      LYS 101  -7.847  11.772   8.534
  718    HZ3  LYS 101           HZ3      LYS 101  -9.417  11.355   9.009
  719    H    SER 102           HN       SER 102  -6.880  14.426   4.127
  720    HA   SER 102           HA       SER 102  -9.373  15.785   3.909
  721    HB2  SER 102           HB2      SER 102  -7.235  16.618   5.046
  722    HB3  SER 102           HB1      SER 102  -6.660  17.020   3.428
  723    HG   SER 102           HG       SER 102  -9.119  17.951   4.512
  724    H    ASN 103           HN       ASN 103  -7.201  14.471   1.661
  725    HA   ASN 103           HA       ASN 103  -8.260  16.008  -0.589
  726    HB2  ASN 103           HB2      ASN 103  -5.723  15.275  -0.149
  727    HB3  ASN 103           HB1      ASN 103  -6.287  13.810  -0.940
  728   HD21  ASN 103          HD21      ASN 103  -6.894  13.866  -3.099
  729   HD22  ASN 103          HD22      ASN 103  -6.473  15.179  -4.135
  730    H    TYR 104           HN       TYR 104  -8.218  12.853   0.877
  731    HA   TYR 104           HA       TYR 104 -10.483  12.005  -0.764
  732    HB2  TYR 104           HB2      TYR 104  -8.653   9.801  -0.236
  733    HB3  TYR 104           HB1      TYR 104  -9.490  10.200  -1.727
  734    HD1  TYR 104           HD2      TYR 104  -6.533  11.079   0.353
  735    HD2  TYR 104           HD1      TYR 104  -8.246  11.037  -3.543
  736    HE1  TYR 104           HE2      TYR 104  -4.368  11.734  -0.591
  737    HE2  TYR 104           HE1      TYR 104  -6.097  11.697  -4.515
  738    HH   TYR 104           HH       TYR 104  -3.173  11.816  -2.583
  739    H    CYS 105           HN       CYS 105 -11.949  11.437   0.747
  740    HA   CYS 105           HA       CYS 105 -11.254   9.304   2.486
  741    HB2  CYS 105           HB2      CYS 105 -10.536  10.822   4.068
  742    HB3  CYS 105           HB1      CYS 105 -11.704  12.052   3.588
  743    HG   CYS 105           HG       CYS 105 -12.921  11.590   5.841
  744    H    THR 106           HN       THR 106 -12.863   7.956   2.450
  745    HA   THR 106           HA       THR 106 -15.418   8.801   1.408
  746    HB   THR 106           HB       THR 106 -15.904   6.276   1.696
  747    HG1  THR 106           HG1      THR 106 -13.532   5.311   1.515
  748   HG21  THR 106          HG21      THR 106 -13.712   7.206  -0.152
  749   HG22  THR 106          HG22      THR 106 -15.447   7.338  -0.446
  750   HG23  THR 106          HG23      THR 106 -14.688   5.751  -0.357
  751    H    ASP 107           HN       ASP 107 -17.276   8.978   2.524
  752    HA   ASP 107           HA       ASP 107 -17.147   9.045   5.390
  753    HB2  ASP 107           HB2      ASP 107 -19.375   9.533   3.419
  754    HB3  ASP 107           HB1      ASP 107 -19.631   9.562   5.161
  755    H    LYS 108           HN       LYS 108 -16.535   6.892   5.709
  756    HA   LYS 108           HA       LYS 108 -16.754   4.720   6.155
  757    HB2  LYS 108           HB2      LYS 108 -18.656   5.389   7.539
  758    HB3  LYS 108           HB1      LYS 108 -19.709   5.266   6.144
  759    HG2  LYS 108           HG2      LYS 108 -19.897   3.336   7.653
  760    HG3  LYS 108           HG1      LYS 108 -19.378   2.883   6.031
  761    HD2  LYS 108           HD2      LYS 108 -17.085   2.675   6.778
  762    HD3  LYS 108           HD1      LYS 108 -17.525   3.259   8.389
  763    HE2  LYS 108           HE2      LYS 108 -18.458   0.711   7.070
  764    HE3  LYS 108           HE1      LYS 108 -17.283   0.838   8.376
  765    HZ1  LYS 108           HZ1      LYS 108 -19.010   1.718   9.809
  766    HZ2  LYS 108           HZ2      LYS 108 -19.464   0.205   9.191
  767    HZ3  LYS 108           HZ3      LYS 108 -20.147   1.621   8.553
  768    H    SER 109           HN       SER 109 -19.803   4.386   4.485
  769    HA   SER 109           HA       SER 109 -20.342   2.862   2.878
  770    HB2  SER 109           HB2      SER 109 -17.913   4.004   1.491
  771    HB3  SER 109           HB1      SER 109 -19.259   3.153   0.734
  772    HG   SER 109           HG       SER 109 -19.577   5.362   0.520
  773    H    GLU 110           HN       GLU 110 -18.300   2.205   4.964
  774    HA   GLU 110           HA       GLU 110 -16.831   0.665   5.640
  775    HB2  GLU 110           HB2      GLU 110 -17.892  -0.975   3.324
  776    HB3  GLU 110           HB1      GLU 110 -17.038  -1.589   4.737
  777    HG2  GLU 110           HG2      GLU 110 -18.845  -0.893   6.179
  778    HG3  GLU 110           HG1      GLU 110 -19.685  -0.161   4.815
  779    H    GLN 111           HN       GLN 111 -16.507  -0.350   2.276
  780    HA   GLN 111           HA       GLN 111 -14.569   1.544   1.537
  781    HB2  GLN 111           HB2      GLN 111 -12.550   0.262   1.435
  782    HB3  GLN 111           HB1      GLN 111 -13.145   0.176   3.084
  783    HG2  GLN 111           HG2      GLN 111 -13.684  -1.994   1.084
  784    HG3  GLN 111           HG1      GLN 111 -12.216  -1.950   2.057
  785   HE21  GLN 111          HE21      GLN 111 -12.377  -2.205   4.302
  786   HE22  GLN 111          HE22      GLN 111 -13.761  -2.945   5.034
  787    H    GLN 112           HN       GLN 112 -13.682   1.031  -0.674
  788    HA   GLN 112           HA       GLN 112 -15.835  -0.385  -2.086
  789    HB2  GLN 112           HB2      GLN 112 -15.550   2.010  -2.576
  790    HB3  GLN 112           HB1      GLN 112 -13.912   1.697  -3.127
  791    HG2  GLN 112           HG2      GLN 112 -15.233   1.889  -5.061
  792    HG3  GLN 112           HG1      GLN 112 -14.903   0.171  -4.866
  793   HE21  GLN 112          HE21      GLN 112 -16.909  -0.084  -2.700
  794   HE22  GLN 112          HE22      GLN 112 -18.443  -0.068  -3.500
  795    HA   PRO 113           HA       PRO 113 -12.635  -3.354  -3.289
  796    HB2  PRO 113           HB2      PRO 113 -14.865  -5.104  -3.887
  797    HB3  PRO 113           HB1      PRO 113 -13.634  -5.286  -2.638
  798    HG2  PRO 113           HG2      PRO 113 -16.260  -4.773  -2.101
  799    HG3  PRO 113           HG1      PRO 113 -14.925  -4.289  -1.036
  800    HD2  PRO 113           HD2      PRO 113 -16.461  -2.652  -3.022
  801    HD3  PRO 113           HD1      PRO 113 -15.900  -2.216  -1.391
  802    H    SER 114           HN       SER 114 -12.402  -4.563  -5.381
  803    HA   SER 114           HA       SER 114 -13.223  -2.786  -7.506
  804    HB2  SER 114           HB2      SER 114 -11.529  -5.277  -7.724
  805    HB3  SER 114           HB1      SER 114 -11.594  -3.919  -8.847
  806    HG   SER 114           HG       SER 114 -10.925  -2.709  -6.758
  807    H    GLN 115           HN       GLN 115 -15.433  -3.217  -7.646
  808    HA   GLN 115           HA       GLN 115 -16.017  -5.641  -9.195
  809    HB2  GLN 115           HB2      GLN 115 -16.888  -5.935  -6.888
  810    HB3  GLN 115           HB1      GLN 115 -17.825  -4.458  -7.067
  811    HG2  GLN 115           HG2      GLN 115 -19.241  -6.385  -7.375
  812    HG3  GLN 115           HG1      GLN 115 -19.099  -5.493  -8.888
  813   HE21  GLN 115          HE21      GLN 115 -16.615  -7.609  -7.612
  814   HE22  GLN 115          HE22      GLN 115 -16.760  -8.829  -8.833
  815    H    ALA 116           HN       ALA 116 -15.464  -3.939 -10.797
  816    HA   ALA 116           HA       ALA 116 -16.031  -2.528 -12.469
  817    HB1  ALA 116           HB1      ALA 116 -18.348  -2.141 -13.047
  818    HB2  ALA 116           HB2      ALA 116 -18.869  -2.779 -11.486
  819    HB3  ALA 116           HB3      ALA 116 -18.092  -3.843 -12.661
  820    H    THR 117           HN       THR 117 -16.397  -0.331 -12.883
  821    HA   THR 117           HA       THR 117 -16.317   1.885 -12.418
  822    HB   THR 117           HB       THR 117 -17.921   1.211  -9.939
  823    HG1  THR 117           HG1      THR 117 -19.728   1.496 -11.237
  824   HG21  THR 117          HG21      THR 117 -17.674   3.780 -11.512
  825   HG22  THR 117          HG22      THR 117 -16.987   3.477  -9.917
  826   HG23  THR 117          HG23      THR 117 -18.736   3.516 -10.128
  827    HA   PRO 118           HA       PRO 118 -12.687   1.056  -9.583
  828    HB2  PRO 118           HB2      PRO 118 -11.494   2.811 -11.667
  829    HB3  PRO 118           HB1      PRO 118 -10.841   1.356 -10.904
  830    HG2  PRO 118           HG2      PRO 118 -11.785   1.270 -13.393
  831    HG3  PRO 118           HG1      PRO 118 -12.071  -0.068 -12.264
  832    HD2  PRO 118           HD2      PRO 118 -13.934   2.102 -13.144
  833    HD3  PRO 118           HD1      PRO 118 -14.265   0.381 -12.858
  834    HA   PRO 119           HA       PRO 119 -12.719   5.739  -8.782
  835    HB2  PRO 119           HB2      PRO 119 -14.013   7.266 -10.821
  836    HB3  PRO 119           HB1      PRO 119 -12.298   7.256 -10.409
  837    HG2  PRO 119           HG2      PRO 119 -13.367   6.318 -12.782
  838    HG3  PRO 119           HG1      PRO 119 -11.781   5.869 -12.134
  839    HD2  PRO 119           HD2      PRO 119 -14.367   4.375 -12.028
  840    HD3  PRO 119           HD1      PRO 119 -12.714   3.761 -12.242
  841    HA   PRO 120           HA       PRO 120 -16.891   4.959  -7.293
  842    HB2  PRO 120           HB2      PRO 120 -16.110   7.082  -5.367
  843    HB3  PRO 120           HB1      PRO 120 -16.736   5.459  -5.060
  844    HG2  PRO 120           HG2      PRO 120 -14.168   6.018  -4.647
  845    HG3  PRO 120           HG1      PRO 120 -14.658   4.460  -5.339
  846    HD2  PRO 120           HD2      PRO 120 -13.511   6.864  -6.701
  847    HD3  PRO 120           HD1      PRO 120 -13.176   5.143  -6.981
  848    H    GLU 121           HN       GLU 121 -15.547   8.083  -8.075
  849    HA   GLU 121           HA       GLU 121 -18.147   8.945  -9.032
  850    HB2  GLU 121           HB2      GLU 121 -17.830  11.200  -7.963
  851    HB3  GLU 121           HB1      GLU 121 -18.209   9.895  -6.848
  852    HG2  GLU 121           HG2      GLU 121 -15.757   9.722  -6.362
  853    HG3  GLU 121           HG1      GLU 121 -15.536  11.188  -7.317
  854    H    ILE 122           HN       ILE 122 -18.052  10.324 -10.756
  855    HA   ILE 122           HA       ILE 122 -15.349  10.919 -11.784
  856    HB   ILE 122           HB       ILE 122 -17.846  10.380 -13.409
  857   HG12  ILE 122          HG12      ILE 122 -15.434   8.600 -12.957
  858   HG13  ILE 122          HG11      ILE 122 -17.021   8.357 -12.232
  859   HG21  ILE 122          HG21      ILE 122 -16.265  11.877 -14.511
  860   HG22  ILE 122          HG22      ILE 122 -16.319  10.311 -15.321
  861   HG23  ILE 122          HG23      ILE 122 -14.968  10.708 -14.258
  862   HD11  ILE 122          HD11      ILE 122 -17.987   8.012 -14.430
  863   HD12  ILE 122          HD12      ILE 122 -16.653   6.894 -14.147
  864   HD13  ILE 122          HD13      ILE 122 -16.420   8.306 -15.179
  865    HA   PRO 123           HA       PRO 123 -17.281  15.049 -11.367
  866    HB2  PRO 123           HB2      PRO 123 -14.631  16.022 -10.780
  867    HB3  PRO 123           HB1      PRO 123 -16.026  15.930  -9.703
  868    HG2  PRO 123           HG2      PRO 123 -13.764  14.411  -9.409
  869    HG3  PRO 123           HG1      PRO 123 -15.363  13.936  -8.811
  870    HD2  PRO 123           HD2      PRO 123 -13.930  13.066 -11.291
  871    HD3  PRO 123           HD1      PRO 123 -14.919  12.111 -10.163
  Start of MODEL    4
    1    H1   ALA   1           HT1      ALA   1  -2.448  13.210  -6.936
    2    H2   ALA   1           HT2      ALA   1  -1.210  12.508  -6.011
    3    H3   ALA   1           HT3      ALA   1  -2.588  13.123  -5.252
    4    HA   ALA   1           HA       ALA   1  -2.550  10.812  -7.109
    5    HB1  ALA   1           HB1      ALA   1  -1.509  10.608  -4.742
    6    HB2  ALA   1           HB2      ALA   1  -2.657   9.389  -5.285
    7    HB3  ALA   1           HB3      ALA   1  -3.182  10.670  -4.186
    8    HA   PRO   2           HA       PRO   2  -6.909  11.511  -7.412
    9    HB2  PRO   2           HB2      PRO   2  -7.141   8.664  -7.967
   10    HB3  PRO   2           HB1      PRO   2  -7.446  10.034  -9.018
   11    HG2  PRO   2           HG2      PRO   2  -5.340   8.436  -9.433
   12    HG3  PRO   2           HG1      PRO   2  -5.211  10.193  -9.677
   13    HD2  PRO   2           HD2      PRO   2  -4.413   8.584  -7.270
   14    HD3  PRO   2           HD1      PRO   2  -3.470   9.794  -8.167
   15    H    THR   3           HN       THR   3  -5.645   8.773  -5.613
   16    HA   THR   3           HA       THR   3  -7.932   9.011  -3.812
   17    HB   THR   3           HB       THR   3  -7.947   6.568  -3.518
   18    HG1  THR   3           HG1      THR   3  -6.735   5.723  -5.689
   19   HG21  THR   3          HG21      THR   3  -8.934   6.007  -5.739
   20   HG22  THR   3          HG22      THR   3  -8.319   7.546  -6.359
   21   HG23  THR   3          HG23      THR   3  -9.531   7.528  -5.074
   22    H    LEU   4           HN       LEU   4  -7.440   7.713  -1.692
   23    HA   LEU   4           HA       LEU   4  -5.268   9.151  -0.640
   24    HB2  LEU   4           HB2      LEU   4  -7.192   8.759   0.722
   25    HB3  LEU   4           HB1      LEU   4  -6.976   7.026   0.622
   26    HG   LEU   4           HG       LEU   4  -4.790   7.338   1.851
   27   HD11  LEU   4          HD11      LEU   4  -4.662   9.492   3.154
   28   HD12  LEU   4          HD12      LEU   4  -5.909  10.123   2.072
   29   HD13  LEU   4          HD13      LEU   4  -4.335   9.632   1.418
   30   HD21  LEU   4          HD21      LEU   4  -7.306   8.214   3.266
   31   HD22  LEU   4          HD22      LEU   4  -5.848   7.583   4.034
   32   HD23  LEU   4          HD23      LEU   4  -6.807   6.548   2.977
   33    H    GLN   5           HN       GLN   5  -5.595   5.761  -1.573
   34    HA   GLN   5           HA       GLN   5  -3.197   4.959  -0.318
   35    HB2  GLN   5           HB2      GLN   5  -4.883   3.318  -0.984
   36    HB3  GLN   5           HB1      GLN   5  -4.547   3.652  -2.680
   37    HG2  GLN   5           HG2      GLN   5  -2.116   3.111  -2.095
   38    HG3  GLN   5           HG1      GLN   5  -2.773   2.377  -0.639
   39   HE21  GLN   5          HE21      GLN   5  -1.338   1.326  -3.003
   40   HE22  GLN   5          HE22      GLN   5  -2.318   0.022  -3.567
   41    H    GLU   6           HN       GLU   6  -3.848   6.304  -3.539
   42    HA   GLU   6           HA       GLU   6  -1.244   5.696  -4.503
   43    HB2  GLU   6           HB2      GLU   6  -3.083   6.323  -6.068
   44    HB3  GLU   6           HB1      GLU   6  -2.940   7.975  -5.500
   45    HG2  GLU   6           HG2      GLU   6  -0.561   7.934  -6.142
   46    HG3  GLU   6           HG1      GLU   6  -0.860   6.383  -6.870
   47    H    ALA   7           HN       ALA   7  -2.529   8.211  -2.502
   48    HA   ALA   7           HA       ALA   7  -0.268   9.951  -2.608
   49    HB1  ALA   7           HB1      ALA   7  -2.387  10.735  -1.711
   50    HB2  ALA   7           HB2      ALA   7  -1.173  10.801  -0.435
   51    HB3  ALA   7           HB3      ALA   7  -2.371   9.500  -0.450
   52    H    LEU   8           HN       LEU   8  -1.008   6.972  -0.997
   53    HA   LEU   8           HA       LEU   8   1.280   6.960   0.709
   54    HB2  LEU   8           HB2      LEU   8  -0.367   4.692  -0.325
   55    HB3  LEU   8           HB1      LEU   8   0.849   4.564   0.922
   56    HG   LEU   8           HG       LEU   8  -1.781   5.988   1.076
   57   HD11  LEU   8          HD11      LEU   8  -0.596   3.739   2.692
   58   HD12  LEU   8          HD12      LEU   8  -1.727   3.526   1.356
   59   HD13  LEU   8          HD13      LEU   8  -2.234   4.382   2.812
   60   HD21  LEU   8          HD21      LEU   8   0.566   6.017   2.945
   61   HD22  LEU   8          HD22      LEU   8  -1.067   6.462   3.427
   62   HD23  LEU   8          HD23      LEU   8  -0.229   7.397   2.183
   63    H    ASP   9           HN       ASP   9   0.421   5.398  -2.336
   64    HA   ASP   9           HA       ASP   9   2.822   4.122  -2.910
   65    HB2  ASP   9           HB2      ASP   9   0.859   5.346  -4.873
   66    HB3  ASP   9           HB1      ASP   9   2.055   4.109  -5.244
   67    H    ARG  10           HN       ARG  10   1.826   7.427  -3.206
   68    HA   ARG  10           HA       ARG  10   4.019   8.305  -4.834
   69    HB2  ARG  10           HB2      ARG  10   1.661   9.459  -3.445
   70    HB3  ARG  10           HB1      ARG  10   2.966  10.564  -3.809
   71    HG2  ARG  10           HG2      ARG  10   2.799  10.122  -6.141
   72    HG3  ARG  10           HG1      ARG  10   1.702   8.767  -5.856
   73    HD2  ARG  10           HD2      ARG  10   0.013  10.220  -5.032
   74    HD3  ARG  10           HD1      ARG  10   1.097  11.593  -5.099
   75    HE   ARG  10           HE       ARG  10  -0.062  10.191  -7.428
   76   HH11  ARG  10          HH11      ARG  10   1.542  12.996  -6.048
   77   HH12  ARG  10          HH12      ARG  10   1.234  14.003  -7.432
   78   HH21  ARG  10          HH21      ARG  10  -0.458  11.528  -9.245
   79   HH22  ARG  10          HH22      ARG  10   0.135  13.163  -9.247
   80    H    LYS  11           HN       LYS  11   3.253   8.232  -1.385
   81    HA   LYS  11           HA       LYS  11   5.608   9.548  -0.512
   82    HB2  LYS  11           HB2      LYS  11   3.551   9.065   0.867
   83    HB3  LYS  11           HB1      LYS  11   4.107   7.406   0.947
   84    HG2  LYS  11           HG2      LYS  11   4.695   8.818   2.918
   85    HG3  LYS  11           HG1      LYS  11   6.045   7.993   2.142
   86    HD2  LYS  11           HD2      LYS  11   6.666  10.241   2.651
   87    HD3  LYS  11           HD1      LYS  11   6.556  10.044   0.905
   88    HE2  LYS  11           HE2      LYS  11   4.304  11.009   0.958
   89    HE3  LYS  11           HE1      LYS  11   4.472  11.240   2.686
   90    HZ1  LYS  11           HZ1      LYS  11   4.950  13.297   1.642
   91    HZ2  LYS  11           HZ2      LYS  11   6.016  12.570   0.543
   92    HZ3  LYS  11           HZ3      LYS  11   6.436  12.675   2.181
   93    H    CYS  12           HN       CYS  12   4.643   6.292  -1.244
   94    HA   CYS  12           HA       CYS  12   6.917   4.826  -0.638
   95    HB2  CYS  12           HB2      CYS  12   4.747   4.456  -2.690
   96    HB3  CYS  12           HB1      CYS  12   6.005   3.261  -2.445
   97    HG   CYS  12           HG       CYS  12   3.465   2.649  -1.190
   98    H    ALA  13           HN       ALA  13   6.136   6.703  -3.501
   99    HA   ALA  13           HA       ALA  13   8.328   5.757  -5.069
  100    HB1  ALA  13           HB1      ALA  13   6.592   6.616  -6.325
  101    HB2  ALA  13           HB2      ALA  13   7.772   7.927  -6.371
  102    HB3  ALA  13           HB3      ALA  13   6.375   8.026  -5.283
  103    H    GLN  14           HN       GLN  14   7.808   8.361  -2.807
  104    HA   GLN  14           HA       GLN  14  10.112   9.887  -3.423
  105    HB2  GLN  14           HB2      GLN  14   8.323   9.726  -1.026
  106    HB3  GLN  14           HB1      GLN  14   9.679  10.849  -1.124
  107    HG2  GLN  14           HG2      GLN  14   8.698  11.789  -3.177
  108    HG3  GLN  14           HG1      GLN  14   7.308  10.731  -2.962
  109   HE21  GLN  14          HE21      GLN  14   9.025  13.494  -1.750
  110   HE22  GLN  14          HE22      GLN  14   7.753  14.097  -0.736
  111    H    PHE  15           HN       PHE  15   9.532   7.133  -1.447
  112    HA   PHE  15           HA       PHE  15  12.182   7.267  -0.215
  113    HB2  PHE  15           HB2      PHE  15   9.951   5.275   0.186
  114    HB3  PHE  15           HB1      PHE  15  11.439   5.356   1.115
  115    HD1  PHE  15           HD2      PHE  15  11.696   8.151   1.663
  116    HD2  PHE  15           HD1      PHE  15   8.211   5.726   1.682
  117    HE1  PHE  15           HE2      PHE  15  10.656   9.697   3.228
  118    HE2  PHE  15           HE1      PHE  15   7.142   7.290   3.265
  119    HZ   PHE  15           HZ       PHE  15   8.197   8.996   4.153
  120    H    GLY  16           HN       GLY  16  10.139   4.909  -1.910
  121    HA2  GLY  16           HA2      GLY  16  11.958   2.868  -2.273
  122    HA3  GLY  16           HA1      GLY  16  10.615   3.218  -3.347
  123    H    LYS  17           HN       LYS  17  11.165   5.439  -4.609
  124    HA   LYS  17           HA       LYS  17  13.222   4.512  -6.366
  125    HB2  LYS  17           HB2      LYS  17  11.697   7.077  -6.631
  126    HB3  LYS  17           HB1      LYS  17  12.419   6.083  -7.897
  127    HG2  LYS  17           HG2      LYS  17  10.030   5.414  -6.211
  128    HG3  LYS  17           HG1      LYS  17  10.036   5.814  -7.922
  129    HD2  LYS  17           HD2      LYS  17  11.437   3.798  -8.334
  130    HD3  LYS  17           HD1      LYS  17  11.271   3.374  -6.627
  131    HE2  LYS  17           HE2      LYS  17   8.809   3.379  -6.947
  132    HE3  LYS  17           HE1      LYS  17   9.086   3.600  -8.677
  133    HZ1  LYS  17           HZ1      LYS  17  10.432   1.562  -8.628
  134    HZ2  LYS  17           HZ2      LYS  17   8.806   1.299  -8.245
  135    HZ3  LYS  17           HZ3      LYS  17   9.968   1.313  -7.017
  136    H    GLU  18           HN       GLU  18  12.964   6.800  -3.824
  137    HA   GLU  18           HA       GLU  18  15.306   8.274  -4.375
  138    HB2  GLU  18           HB2      GLU  18  13.905   9.018  -2.608
  139    HB3  GLU  18           HB1      GLU  18  14.014   7.475  -1.763
  140    HG2  GLU  18           HG2      GLU  18  16.387   7.897  -1.337
  141    HG3  GLU  18           HG1      GLU  18  16.273   9.430  -2.197
  142    H    SER  19           HN       SER  19  14.763   5.190  -2.714
  143    HA   SER  19           HA       SER  19  17.451   4.510  -2.275
  144    HB2  SER  19           HB2      SER  19  15.170   2.648  -2.935
  145    HB3  SER  19           HB1      SER  19  16.683   2.211  -2.135
  146    HG   SER  19           HG       SER  19  14.899   4.145  -1.080
  147    H    CYS  20           HN       CYS  20  15.326   4.020  -5.022
  148    HA   CYS  20           HA       CYS  20  17.117   2.677  -6.700
  149    HB2  CYS  20           HB2      CYS  20  15.110   2.568  -7.690
  150    HB3  CYS  20           HB1      CYS  20  14.552   4.040  -6.919
  151    HG   CYS  20           HG       CYS  20  16.724   4.793  -9.292
  152    H    ASN  21           HN       ASN  21  16.534   6.116  -6.167
  153    HA   ASN  21           HA       ASN  21  18.370   7.090  -8.090
  154    HB2  ASN  21           HB2      ASN  21  17.031   8.281  -5.676
  155    HB3  ASN  21           HB1      ASN  21  18.272   9.178  -6.551
  156   HD21  ASN  21          HD21      ASN  21  15.292   9.500  -6.198
  157   HD22  ASN  21          HD22      ASN  21  14.691   9.701  -7.812
  158    H    SER  22           HN       SER  22  18.708   5.921  -4.846
  159    HA   SER  22           HA       SER  22  21.365   6.908  -4.451
  160    HB2  SER  22           HB2      SER  22  19.931   6.459  -2.542
  161    HB3  SER  22           HB1      SER  22  19.792   4.766  -3.006
  162    HG   SER  22           HG       SER  22  22.193   6.098  -2.267
  163    H    GLY  23           HN       GLY  23  19.920   4.058  -5.848
  164    HA2  GLY  23           HA2      GLY  23  21.642   3.174  -7.556
  165    HA3  GLY  23           HA1      GLY  23  22.578   2.831  -6.111
  166    H    LEU  24           HN       LEU  24  19.374   2.427  -5.347
  167    HA   LEU  24           HA       LEU  24  19.599  -0.413  -5.280
  168    HB2  LEU  24           HB2      LEU  24  17.717   1.607  -4.340
  169    HB3  LEU  24           HB1      LEU  24  16.922   0.154  -4.910
  170    HG   LEU  24           HG       LEU  24  17.573   0.356  -2.405
  171   HD11  LEU  24          HD11      LEU  24  17.928  -2.057  -2.285
  172   HD12  LEU  24          HD12      LEU  24  18.231  -2.095  -4.021
  173   HD13  LEU  24          HD13      LEU  24  16.640  -1.637  -3.412
  174   HD21  LEU  24          HD21      LEU  24  19.877   1.002  -2.713
  175   HD22  LEU  24          HD22      LEU  24  20.186  -0.454  -3.664
  176   HD23  LEU  24          HD23      LEU  24  19.811  -0.583  -1.941
  177    H    ALA  25           HN       ALA  25  19.402  -1.675  -6.920
  178    HA   ALA  25           HA       ALA  25  18.383  -0.745  -9.438
  179    HB1  ALA  25           HB1      ALA  25  20.323  -2.230  -9.268
  180    HB2  ALA  25           HB2      ALA  25  19.056  -2.902 -10.293
  181    HB3  ALA  25           HB3      ALA  25  19.277  -3.510  -8.651
  182    H    SER  26           HN       SER  26  16.950  -2.129  -6.749
  183    HA   SER  26           HA       SER  26  14.983  -3.732  -8.024
  184    HB2  SER  26           HB2      SER  26  13.882  -3.666  -5.798
  185    HB3  SER  26           HB1      SER  26  15.557  -4.217  -5.769
  186    HG   SER  26           HG       SER  26  15.417  -2.750  -4.150
  187    H    TYR  27           HN       TYR  27  14.676  -0.599  -6.307
  188    HA   TYR  27           HA       TYR  27  12.042  -0.138  -7.257
  189    HB2  TYR  27           HB2      TYR  27  13.923   2.039  -6.313
  190    HB3  TYR  27           HB1      TYR  27  12.164   1.960  -6.184
  191    HD1  TYR  27           HD2      TYR  27  11.144   0.131  -4.690
  192    HD2  TYR  27           HD1      TYR  27  15.260   1.256  -4.557
  193    HE1  TYR  27           HE2      TYR  27  11.333  -0.775  -2.409
  194    HE2  TYR  27           HE1      TYR  27  15.454   0.323  -2.288
  195    HH   TYR  27           HH       TYR  27  13.043  -1.649  -0.906
  196    H    CYS  28           HN       CYS  28  15.125   0.284  -8.654
  197    HA   CYS  28           HA       CYS  28  14.623   2.437 -10.399
  198    HB2  CYS  28           HB2      CYS  28  16.889   1.730  -9.916
  199    HB3  CYS  28           HB1      CYS  28  16.574   0.138 -10.593
  200    HG   CYS  28           HG       CYS  28  17.379   3.004 -12.139
  201    H    GLY  29           HN       GLY  29  13.123   2.495 -11.940
  202    HA2  GLY  29           HA2      GLY  29  11.987   1.876 -13.862
  203    HA3  GLY  29           HA1      GLY  29  12.950   0.405 -13.916
  204    H    ALA  30           HN       ALA  30  11.605   0.800 -10.904
  205    HA   ALA  30           HA       ALA  30   9.602  -1.256 -11.497
  206    HB1  ALA  30           HB1      ALA  30   9.690  -1.737  -9.088
  207    HB2  ALA  30           HB2      ALA  30  10.873  -0.441  -8.880
  208    HB3  ALA  30           HB3      ALA  30  11.277  -1.863  -9.848
  209    H    ALA  31           HN       ALA  31   7.596  -1.168 -10.301
  210    HA   ALA  31           HA       ALA  31   6.570   1.505  -9.743
  211    HB1  ALA  31           HB1      ALA  31   4.394   0.358  -9.678
  212    HB2  ALA  31           HB2      ALA  31   5.214  -1.173 -10.020
  213    HB3  ALA  31           HB3      ALA  31   5.231   0.132 -11.214
  214    H    ILE  32           HN       ILE  32   6.162   2.076  -7.551
  215    HA   ILE  32           HA       ILE  32   6.448  -0.149  -5.663
  216    HB   ILE  32           HB       ILE  32   8.382   1.417  -5.522
  217   HG12  ILE  32          HG12      ILE  32   6.807   1.723  -3.000
  218   HG13  ILE  32          HG11      ILE  32   7.222   0.106  -3.560
  219   HG21  ILE  32          HG21      ILE  32   6.214   3.359  -4.856
  220   HG22  ILE  32          HG22      ILE  32   7.497   3.492  -6.064
  221   HG23  ILE  32          HG23      ILE  32   7.883   3.597  -4.335
  222   HD11  ILE  32          HD11      ILE  32   8.798   1.085  -1.907
  223   HD12  ILE  32          HD12      ILE  32   9.248   2.283  -3.127
  224   HD13  ILE  32          HD13      ILE  32   9.539   0.561  -3.422
  225    H    TYR  33           HN       TYR  33   5.026  -0.339  -4.039
  226    HA   TYR  33           HA       TYR  33   2.738   1.505  -4.112
  227    HB2  TYR  33           HB2      TYR  33   2.578  -1.507  -4.025
  228    HB3  TYR  33           HB1      TYR  33   1.223  -0.384  -4.034
  229    HD1  TYR  33           HD1      TYR  33   0.846   1.042  -6.064
  230    HD2  TYR  33           HD2      TYR  33   3.563  -2.228  -6.032
  231    HE1  TYR  33           HE1      TYR  33   0.805   1.008  -8.512
  232    HE2  TYR  33           HE2      TYR  33   3.544  -2.268  -8.499
  233    HH   TYR  33           HH       TYR  33   2.112   0.275 -10.361
  234    H    ALA  34           HN       ALA  34   1.427   1.526  -2.276
  235    HA   ALA  34           HA       ALA  34   2.851   0.920   0.204
  236    HB1  ALA  34           HB1      ALA  34   0.122   2.134   0.023
  237    HB2  ALA  34           HB2      ALA  34   1.572   3.093  -0.325
  238    HB3  ALA  34           HB3      ALA  34   1.360   2.349   1.268
  239    H    ARG  35           HN       ARG  35   2.599  -1.088   0.975
  240    HA   ARG  35           HA       ARG  35  -0.153  -2.073   1.016
  241    HB2  ARG  35           HB2      ARG  35   1.656  -3.241  -0.594
  242    HB3  ARG  35           HB1      ARG  35   2.002  -4.119   0.888
  243    HG2  ARG  35           HG2      ARG  35   0.386  -5.319  -0.447
  244    HG3  ARG  35           HG1      ARG  35  -0.353  -4.755   1.055
  245    HD2  ARG  35           HD2      ARG  35  -1.824  -4.395  -0.875
  246    HD3  ARG  35           HD1      ARG  35  -1.355  -2.872  -0.121
  247    HE   ARG  35           HE       ARG  35   0.457  -3.423  -2.177
  248   HH11  ARG  35          HH11      ARG  35  -2.946  -2.692  -1.858
  249   HH12  ARG  35          HH12      ARG  35  -3.049  -1.910  -3.404
  250   HH21  ARG  35          HH21      ARG  35   0.320  -2.367  -4.199
  251   HH22  ARG  35          HH22      ARG  35  -1.203  -1.729  -4.728
  252    H    TYR  36           HN       TYR  36  -0.836  -2.125   2.993
  253    HA   TYR  36           HA       TYR  36   0.873  -2.321   5.294
  254    HB2  TYR  36           HB2      TYR  36  -1.421  -1.190   5.210
  255    HB3  TYR  36           HB1      TYR  36  -2.118  -2.809   5.183
  256    HD1  TYR  36           HD1      TYR  36   0.027  -0.535   7.213
  257    HD2  TYR  36           HD2      TYR  36  -2.405  -4.013   7.116
  258    HE1  TYR  36           HE1      TYR  36   0.089  -0.645   9.666
  259    HE2  TYR  36           HE2      TYR  36  -2.361  -4.145   9.551
  260    HH   TYR  36           HH       TYR  36  -0.991  -3.408  11.408
  261    H    ASP  37           HN       ASP  37   2.004  -4.248   4.686
  262    HA   ASP  37           HA       ASP  37   0.536  -6.701   5.198
  263    HB2  ASP  37           HB2      ASP  37   0.883  -6.006   2.577
  264    HB3  ASP  37           HB1      ASP  37   2.358  -6.927   2.882
  265    H    LYS  38           HN       LYS  38   2.301  -8.568   4.799
  266    HA   LYS  38           HA       LYS  38   4.221  -8.133   6.840
  267    HB2  LYS  38           HB2      LYS  38   2.904 -10.236   6.210
  268    HB3  LYS  38           HB1      LYS  38   4.079 -10.470   4.942
  269    HG2  LYS  38           HG2      LYS  38   5.032 -10.029   7.687
  270    HG3  LYS  38           HG1      LYS  38   4.319 -11.596   7.315
  271    HD2  LYS  38           HD2      LYS  38   6.495 -10.318   5.685
  272    HD3  LYS  38           HD1      LYS  38   6.812 -11.452   7.005
  273    HE2  LYS  38           HE2      LYS  38   5.420 -13.125   5.834
  274    HE3  LYS  38           HE1      LYS  38   5.221 -11.988   4.500
  275    HZ1  LYS  38           HZ1      LYS  38   7.590 -12.030   4.138
  276    HZ2  LYS  38           HZ2      LYS  38   6.971 -13.610   4.076
  277    HZ3  LYS  38           HZ3      LYS  38   7.811 -13.080   5.453
  278    H    GLY  39           HN       GLY  39   6.510  -8.501   6.554
  279    HA2  GLY  39           HA2      GLY  39   7.447  -7.416   3.970
  280    HA3  GLY  39           HA1      GLY  39   8.274  -7.190   5.504
  281    H    ASN  40           HN       ASN  40  10.114  -8.273   5.577
  282    HA   ASN  40           HA       ASN  40  10.482 -10.649   3.946
  283    HB2  ASN  40           HB2      ASN  40  12.214  -8.742   4.270
  284    HB3  ASN  40           HB1      ASN  40  12.533  -9.492   5.832
  285   HD21  ASN  40          HD21      ASN  40  12.720  -9.864   2.378
  286   HD22  ASN  40          HD22      ASN  40  13.836 -11.188   2.382
  287    H    SER  41           HN       SER  41  12.172 -12.214   5.485
  288    HA   SER  41           HA       SER  41  10.318 -13.780   6.850
  289    HB2  SER  41           HB2      SER  41  13.322 -13.799   7.210
  290    HB3  SER  41           HB1      SER  41  12.212 -15.133   7.526
  291    HG   SER  41           HG       SER  41  12.162 -15.580   5.463
  292    H    SER  42           HN       SER  42  12.910 -11.757   8.257
  293    HA   SER  42           HA       SER  42  11.936 -12.180  10.939
  294    HB2  SER  42           HB2      SER  42  13.991 -10.156  10.026
  295    HB3  SER  42           HB1      SER  42  13.822 -10.877  11.626
  296    HG   SER  42           HG       SER  42  14.776 -12.666  10.957
  297    H    GLN  43           HN       GLN  43  10.944 -10.282   8.450
  298    HA   GLN  43           HA       GLN  43  10.176  -8.004  10.130
  299    HB2  GLN  43           HB2      GLN  43  10.486  -8.227   7.135
  300    HB3  GLN  43           HB1      GLN  43   9.819  -6.817   7.949
  301    HG2  GLN  43           HG2      GLN  43  12.588  -7.922   8.366
  302    HG3  GLN  43           HG1      GLN  43  12.179  -6.531   7.362
  303   HE21  GLN  43          HE21      GLN  43  11.588  -4.601   8.344
  304   HE22  GLN  43          HE22      GLN  43  11.857  -4.291  10.028
  305    H    GLN  44           HN       GLN  44   8.732 -10.534  10.141
  306    HA   GLN  44           HA       GLN  44   6.509 -10.408   8.430
  307    HB2  GLN  44           HB2      GLN  44   5.474 -12.116   9.754
  308    HB3  GLN  44           HB1      GLN  44   7.177 -12.473   9.541
  309    HG2  GLN  44           HG2      GLN  44   6.204 -11.099  12.005
  310    HG3  GLN  44           HG1      GLN  44   6.091 -12.848  11.822
  311   HE21  GLN  44          HE21      GLN  44   7.979 -14.051  11.617
  312   HE22  GLN  44          HE22      GLN  44   9.506 -13.457  12.183
  313    H    THR  45           HN       THR  45   4.232 -10.679   9.936
  314    HA   THR  45           HA       THR  45   2.461  -9.505  10.611
  315    HB   THR  45           HB       THR  45   2.612  -7.904  12.433
  316    HG1  THR  45           HG1      THR  45   5.285  -7.813  11.705
  317   HG21  THR  45          HG21      THR  45   4.377 -10.306  12.838
  318   HG22  THR  45          HG22      THR  45   2.617 -10.274  12.942
  319   HG23  THR  45          HG23      THR  45   3.586  -9.381  14.116
  320    H    LYS  46           HN       LYS  46   1.192  -7.785   9.989
  321    HA   LYS  46           HA       LYS  46   2.332  -6.388   7.753
  322    HB2  LYS  46           HB2      LYS  46  -0.459  -6.157   8.824
  323    HB3  LYS  46           HB1      LYS  46   0.105  -5.589   7.273
  324    HG2  LYS  46           HG2      LYS  46   0.731  -8.065   6.869
  325    HG3  LYS  46           HG1      LYS  46  -0.392  -8.375   8.192
  326    HD2  LYS  46           HD2      LYS  46  -1.999  -6.833   6.833
  327    HD3  LYS  46           HD1      LYS  46  -0.918  -7.195   5.500
  328    HE2  LYS  46           HE2      LYS  46  -1.285  -9.568   5.772
  329    HE3  LYS  46           HE1      LYS  46  -2.298  -9.262   7.182
  330    HZ1  LYS  46           HZ1      LYS  46  -2.902  -8.346   4.423
  331    HZ2  LYS  46           HZ2      LYS  46  -3.887  -8.134   5.786
  332    HZ3  LYS  46           HZ3      LYS  46  -3.604  -9.689   5.179
  333    H    GLU  47           HN       GLU  47   3.053  -4.429   7.673
  334    HA   GLU  47           HA       GLU  47   1.767  -2.301   9.208
  335    HB2  GLU  47           HB2      GLU  47   4.690  -2.946   9.302
  336    HB3  GLU  47           HB1      GLU  47   4.181  -1.266   9.334
  337    HG2  GLU  47           HG2      GLU  47   3.109  -1.523  11.362
  338    HG3  GLU  47           HG1      GLU  47   3.095  -3.272  11.244
  339    H    TRP  48           HN       TRP  48   2.085  -0.266   8.232
  340    HA   TRP  48           HA       TRP  48   1.959  -0.331   5.445
  341    HB2  TRP  48           HB2      TRP  48   2.340   1.850   7.440
  342    HB3  TRP  48           HB1      TRP  48   2.484   2.173   5.723
  343    HD1  TRP  48           HD1      TRP  48   0.072   2.426   8.306
  344    HE1  TRP  48           HE1      TRP  48  -2.338   2.416   7.351
  345    HE3  TRP  48           HE3      TRP  48   1.046   0.630   3.639
  346    HZ2  TRP  48           HZ2      TRP  48  -3.647   1.716   4.912
  347    HZ3  TRP  48           HZ3      TRP  48  -0.813   0.312   2.055
  348    HH2  TRP  48           HH2      TRP  48  -3.105   0.840   2.689
  349    H    ARG  49           HN       ARG  49   3.565  -0.798   4.115
  350    HA   ARG  49           HA       ARG  49   6.158   0.472   4.578
  351    HB2  ARG  49           HB2      ARG  49   5.686  -2.463   3.988
  352    HB3  ARG  49           HB1      ARG  49   7.262  -1.683   3.888
  353    HG2  ARG  49           HG2      ARG  49   7.447  -1.454   6.160
  354    HG3  ARG  49           HG1      ARG  49   5.711  -1.473   6.428
  355    HD2  ARG  49           HD2      ARG  49   5.822  -3.909   5.637
  356    HD3  ARG  49           HD1      ARG  49   7.560  -3.769   5.890
  357    HE   ARG  49           HE       ARG  49   6.281  -2.895   8.203
  358   HH11  ARG  49          HH11      ARG  49   6.577  -5.835   6.386
  359   HH12  ARG  49          HH12      ARG  49   6.508  -6.860   7.785
  360   HH21  ARG  49          HH21      ARG  49   6.141  -4.240  10.076
  361   HH22  ARG  49          HH22      ARG  49   6.216  -5.966   9.858
  362    H    CYS  50           HN       CYS  50   7.522   0.253   2.514
  363    HA   CYS  50           HA       CYS  50   5.743   0.619   0.208
  364    HB2  CYS  50           HB2      CYS  50   8.722   1.086   0.338
  365    HB3  CYS  50           HB1      CYS  50   7.633   1.588  -0.936
  366    HG   CYS  50           HG       CYS  50   8.715   3.682   0.757
  367    H    TYR  51           HN       TYR  51   5.478  -1.056  -1.052
  368    HA   TYR  51           HA       TYR  51   7.699  -2.968  -1.324
  369    HB2  TYR  51           HB2      TYR  51   4.736  -3.514  -1.519
  370    HB3  TYR  51           HB1      TYR  51   6.009  -4.691  -1.802
  371    HD1  TYR  51           HD1      TYR  51   7.816  -4.398   0.389
  372    HD2  TYR  51           HD2      TYR  51   3.592  -4.047   0.338
  373    HE1  TYR  51           HE1      TYR  51   7.756  -5.020   2.764
  374    HE2  TYR  51           HE2      TYR  51   3.506  -4.653   2.730
  375    HH   TYR  51           HH       TYR  51   4.875  -5.850   4.360
  376    H    ILE  52           HN       ILE  52   8.571  -2.716  -3.308
  377    HA   ILE  52           HA       ILE  52   7.145  -1.428  -5.380
  378    HB   ILE  52           HB       ILE  52   8.996  -2.635  -6.835
  379   HG12  ILE  52          HG12      ILE  52  10.186  -2.550  -4.103
  380   HG13  ILE  52          HG11      ILE  52   9.815  -4.019  -5.013
  381   HG21  ILE  52          HG21      ILE  52  10.394  -0.710  -6.506
  382   HG22  ILE  52          HG22      ILE  52   9.616  -0.375  -4.959
  383   HG23  ILE  52          HG23      ILE  52   8.702  -0.214  -6.462
  384   HD11  ILE  52          HD11      ILE  52  11.624  -1.858  -6.055
  385   HD12  ILE  52          HD12      ILE  52  11.408  -3.515  -6.665
  386   HD13  ILE  52          HD13      ILE  52  12.202  -3.242  -5.115
  387    H    GLU  53           HN       GLU  53   6.377  -2.389  -7.368
  388    HA   GLU  53           HA       GLU  53   4.549  -4.377  -7.000
  389    HB2  GLU  53           HB2      GLU  53   4.499  -2.886  -8.894
  390    HB3  GLU  53           HB1      GLU  53   5.960  -3.598  -9.557
  391    HG2  GLU  53           HG2      GLU  53   4.835  -5.673  -9.954
  392    HG3  GLU  53           HG1      GLU  53   3.388  -5.085  -9.119
  393    H    LYS  54           HN       LYS  54   7.895  -4.676  -7.885
  394    HA   LYS  54           HA       LYS  54   8.311  -7.269  -8.544
  395    HB2  LYS  54           HB2      LYS  54   9.810  -5.422  -6.684
  396    HB3  LYS  54           HB1      LYS  54  10.416  -7.023  -7.027
  397    HG2  LYS  54           HG2      LYS  54  10.361  -6.421  -9.466
  398    HG3  LYS  54           HG1      LYS  54   9.998  -4.770  -8.964
  399    HD2  LYS  54           HD2      LYS  54  12.355  -4.923  -9.351
  400    HD3  LYS  54           HD1      LYS  54  12.096  -4.793  -7.612
  401    HE2  LYS  54           HE2      LYS  54  12.322  -7.496  -8.865
  402    HE3  LYS  54           HE1      LYS  54  13.781  -6.548  -8.595
  403    HZ1  LYS  54           HZ1      LYS  54  13.243  -6.433  -6.251
  404    HZ2  LYS  54           HZ2      LYS  54  13.325  -8.044  -6.752
  405    HZ3  LYS  54           HZ3      LYS  54  11.819  -7.314  -6.495
  406    H    GLU  55           HN       GLU  55   7.645  -6.002  -5.336
  407    HA   GLU  55           HA       GLU  55   8.389  -8.519  -4.086
  408    HB2  GLU  55           HB2      GLU  55   7.711  -5.824  -2.918
  409    HB3  GLU  55           HB1      GLU  55   8.396  -7.171  -2.031
  410    HG2  GLU  55           HG2      GLU  55   9.680  -5.684  -4.318
  411    HG3  GLU  55           HG1      GLU  55  10.116  -5.547  -2.613
  412    H    LEU  56           HN       LEU  56   5.544  -6.906  -5.033
  413    HA   LEU  56           HA       LEU  56   3.879  -8.110  -3.008
  414    HB2  LEU  56           HB2      LEU  56   3.287  -6.492  -5.470
  415    HB3  LEU  56           HB1      LEU  56   2.034  -7.226  -4.505
  416    HG   LEU  56           HG       LEU  56   2.850  -5.871  -2.528
  417   HD11  LEU  56          HD11      LEU  56   4.267  -3.956  -3.076
  418   HD12  LEU  56          HD12      LEU  56   4.440  -4.532  -4.735
  419   HD13  LEU  56          HD13      LEU  56   5.107  -5.471  -3.400
  420   HD21  LEU  56          HD21      LEU  56   0.919  -5.163  -3.794
  421   HD22  LEU  56          HD22      LEU  56   1.942  -4.462  -5.054
  422   HD23  LEU  56          HD23      LEU  56   1.916  -3.749  -3.435
  423    H    ASP  57           HN       ASP  57   1.925  -9.261  -3.809
  424    HA   ASP  57           HA       ASP  57   2.414 -10.865  -6.218
  425    HB2  ASP  57           HB2      ASP  57   2.892 -12.184  -4.100
  426    HB3  ASP  57           HB1      ASP  57   1.187 -11.998  -3.698
  427    H    PHE  58           HN       PHE  58   0.806 -10.524  -7.596
  428    HA   PHE  58           HA       PHE  58  -1.621  -9.257  -6.616
  429    HB2  PHE  58           HB2      PHE  58  -0.389  -9.656  -9.305
  430    HB3  PHE  58           HB1      PHE  58  -2.106  -9.284  -9.186
  431    HD1  PHE  58           HD1      PHE  58   1.267  -8.049  -8.264
  432    HD2  PHE  58           HD2      PHE  58  -2.854  -7.130  -8.768
  433    HE1  PHE  58           HE1      PHE  58   1.789  -5.657  -8.048
  434    HE2  PHE  58           HE2      PHE  58  -2.338  -4.726  -8.567
  435    HZ   PHE  58           HZ       PHE  58  -0.016  -3.991  -8.203
  436    H    SER  59           HN       SER  59  -0.670 -12.348  -6.819
  437    HA   SER  59           HA       SER  59  -3.309 -13.356  -7.551
  438    HB2  SER  59           HB2      SER  59  -1.771 -15.466  -6.502
  439    HB3  SER  59           HB1      SER  59  -2.127 -15.156  -8.199
  440    HG   SER  59           HG       SER  59   0.114 -14.258  -6.692
  441    H    LYS  60           HN       LYS  60  -1.718 -12.004  -5.037
  442    HA   LYS  60           HA       LYS  60  -3.499 -13.165  -3.017
  443    HB2  LYS  60           HB2      LYS  60  -0.881 -11.791  -2.923
  444    HB3  LYS  60           HB1      LYS  60  -2.043 -11.265  -1.741
  445    HG2  LYS  60           HG2      LYS  60  -0.840 -12.884  -0.620
  446    HG3  LYS  60           HG1      LYS  60  -2.293 -13.733  -1.133
  447    HD2  LYS  60           HD2      LYS  60   0.191 -13.776  -2.807
  448    HD3  LYS  60           HD1      LYS  60   0.005 -14.872  -1.440
  449    HE2  LYS  60           HE2      LYS  60  -1.885 -15.906  -2.411
  450    HE3  LYS  60           HE1      LYS  60  -2.037 -14.645  -3.634
  451    HZ1  LYS  60           HZ1      LYS  60   0.035 -15.367  -4.609
  452    HZ2  LYS  60           HZ2      LYS  60  -1.056 -16.669  -4.536
  453    HZ3  LYS  60           HZ3      LYS  60   0.220 -16.564  -3.419
  454    H    SER  61           HN       SER  61  -5.328 -12.050  -2.585
  455    HA   SER  61           HA       SER  61  -5.512  -9.306  -3.499
  456    HB2  SER  61           HB2      SER  61  -7.610 -10.809  -1.937
  457    HB3  SER  61           HB1      SER  61  -7.809  -9.397  -2.979
  458    HG   SER  61           HG       SER  61  -7.607 -12.080  -3.642
  459    H    GLY  62           HN       GLY  62  -5.223  -7.604  -2.238
  460    HA2  GLY  62           HA2      GLY  62  -4.173  -8.204   0.430
  461    HA3  GLY  62           HA1      GLY  62  -3.787  -6.797  -0.541
  462    H    ASP  63           HN       ASP  63  -5.628  -8.014   1.986
  463    HA   ASP  63           HA       ASP  63  -7.502  -5.797   2.038
  464    HB2  ASP  63           HB2      ASP  63  -6.815  -7.734   4.269
  465    HB3  ASP  63           HB1      ASP  63  -8.235  -6.701   4.168
  466    H    GLY  64           HN       GLY  64  -4.668  -5.337   1.822
  467    HA2  GLY  64           HA2      GLY  64  -4.063  -4.038   4.409
  468    HA3  GLY  64           HA1      GLY  64  -2.831  -4.796   3.412
  469    H    CYS  65           HN       CYS  65  -5.288  -3.149   1.732
  470    HA   CYS  65           HA       CYS  65  -3.486  -0.898   1.131
  471    HB2  CYS  65           HB2      CYS  65  -6.204  -1.305  -0.097
  472    HB3  CYS  65           HB1      CYS  65  -4.756  -0.603  -0.817
  473    HG   CYS  65           HG       CYS  65  -5.575  -3.888  -0.459
  474    H    VAL  66           HN       VAL  66  -5.096   1.174   0.743
  475    HA   VAL  66           HA       VAL  66  -7.040   1.208   2.927
  476    HB   VAL  66           HB       VAL  66  -5.423   2.462   4.010
  477   HG11  VAL  66          HG11      VAL  66  -3.957   4.085   2.946
  478   HG12  VAL  66          HG12      VAL  66  -4.732   3.768   1.388
  479   HG13  VAL  66          HG13      VAL  66  -3.812   2.492   2.197
  480   HG21  VAL  66          HG21      VAL  66  -6.319   4.553   4.266
  481   HG22  VAL  66          HG22      VAL  66  -7.651   3.728   3.427
  482   HG23  VAL  66          HG23      VAL  66  -6.550   4.780   2.528
  483    H    ASP  67           HN       ASP  67  -8.758   2.514   2.615
  484    HA   ASP  67           HA       ASP  67  -9.553   2.704  -0.151
  485    HB2  ASP  67           HB2      ASP  67 -10.831   1.823   1.962
  486    HB3  ASP  67           HB1      ASP  67 -11.231   3.520   2.187
  487    H    ASP  68           HN       ASP  68 -11.422   4.948   0.299
  488    HA   ASP  68           HA       ASP  68  -9.649   7.128  -0.159
  489    HB2  ASP  68           HB2      ASP  68 -11.674   8.600   0.100
  490    HB3  ASP  68           HB1      ASP  68 -11.811   7.362  -1.132
  491    H    CYS  69           HN       CYS  69 -11.563   6.178   2.666
  492    HA   CYS  69           HA       CYS  69 -10.081   8.089   4.317
  493    HB2  CYS  69           HB2      CYS  69 -12.551   7.669   4.648
  494    HB3  CYS  69           HB1      CYS  69 -12.136   6.039   5.167
  495    HG   CYS  69           HG       CYS  69 -12.199   6.807   7.618
  496    H    GLY  70           HN       GLY  70  -9.094   7.134   6.392
  497    HA2  GLY  70           HA2      GLY  70  -7.235   5.110   5.539
  498    HA3  GLY  70           HA1      GLY  70  -7.252   5.920   7.099
  499    H    SER  71           HN       SER  71  -9.048   3.622   5.187
  500    HA   SER  71           HA       SER  71  -9.134   1.786   7.468
  501    HB2  SER  71           HB2      SER  71 -11.364   2.816   7.265
  502    HB3  SER  71           HB1      SER  71 -11.418   2.388   5.557
  503    HG   SER  71           HG       SER  71 -12.351   0.648   6.280
  504    H    MET  72           HN       MET  72  -8.276  -0.129   6.887
  505    HA   MET  72           HA       MET  72  -7.094  -0.414   4.414
  506    HB2  MET  72           HB2      MET  72  -6.816  -2.856   5.108
  507    HB3  MET  72           HB1      MET  72  -6.048  -1.588   6.059
  508    HG2  MET  72           HG2      MET  72  -7.485  -1.798   7.784
  509    HG3  MET  72           HG1      MET  72  -8.757  -2.456   6.765
  510    HE1  MET  72           HE1      MET  72  -5.233  -3.229   8.392
  511    HE2  MET  72           HE2      MET  72  -5.056  -3.659   6.691
  512    HE3  MET  72           HE3      MET  72  -5.027  -4.918   7.927
  513    H    THR  73           HN       THR  73  -7.785  -0.890   2.516
  514    HA   THR  73           HA       THR  73 -10.373  -2.241   2.228
  515    HB   THR  73           HB       THR  73 -10.146   0.133   1.386
  516    HG1  THR  73           HG1      THR  73 -11.507  -0.288  -0.258
  517   HG21  THR  73          HG21      THR  73  -9.037   0.481  -0.765
  518   HG22  THR  73          HG22      THR  73  -8.461  -1.189  -0.740
  519   HG23  THR  73          HG23      THR  73  -7.884  -0.041   0.468
  520    H    SER  74           HN       SER  74 -10.573  -3.729   0.384
  521    HA   SER  74           HA       SER  74  -8.158  -5.319   0.211
  522    HB2  SER  74           HB2      SER  74  -9.835  -7.014  -0.739
  523    HB3  SER  74           HB1      SER  74 -10.058  -6.519   0.940
  524    HG   SER  74           HG       SER  74 -11.881  -6.466  -0.839
  525    H    CYS  75           HN       CYS  75  -6.878  -5.115  -1.451
  526    HA   CYS  75           HA       CYS  75  -7.922  -5.129  -4.164
  527    HB2  CYS  75           HB2      CYS  75  -7.716  -2.736  -3.674
  528    HB3  CYS  75           HB1      CYS  75  -6.053  -2.979  -3.168
  529    HG   CYS  75           HG       CYS  75  -5.466  -1.958  -5.501
  530    H    ARG  76           HN       ARG  76  -6.357  -5.856  -5.696
  531    HA   ARG  76           HA       ARG  76  -4.796  -7.899  -4.457
  532    HB2  ARG  76           HB2      ARG  76  -5.453  -7.222  -7.285
  533    HB3  ARG  76           HB1      ARG  76  -4.189  -8.375  -6.913
  534    HG2  ARG  76           HG2      ARG  76  -6.192  -9.587  -7.244
  535    HG3  ARG  76           HG1      ARG  76  -5.785  -9.624  -5.533
  536    HD2  ARG  76           HD2      ARG  76  -7.984  -9.109  -5.398
  537    HD3  ARG  76           HD1      ARG  76  -7.246  -7.518  -5.446
  538    HE   ARG  76           HE       ARG  76  -8.017  -8.553  -8.026
  539   HH11  ARG  76          HH11      ARG  76  -8.982  -6.664  -5.240
  540   HH12  ARG  76          HH12      ARG  76 -10.176  -5.748  -6.102
  541   HH21  ARG  76          HH21      ARG  76  -9.608  -7.363  -9.168
  542   HH22  ARG  76          HH22      ARG  76 -10.558  -6.169  -8.319
  543    H    GLY  77           HN       GLY  77  -2.762  -7.865  -3.918
  544    HA2  GLY  77           HA2      GLY  77  -0.542  -7.283  -5.226
  545    HA3  GLY  77           HA1      GLY  77  -1.056  -5.673  -4.779
  546    H    SER  78           HN       SER  78  -0.208  -8.818  -3.440
  547    HA   SER  78           HA       SER  78   0.595  -7.393  -1.020
  548    HB2  SER  78           HB2      SER  78  -1.579  -9.389  -1.256
  549    HB3  SER  78           HB1      SER  78  -0.555  -9.496   0.166
  550    HG   SER  78           HG       SER  78  -1.374  -7.700   0.916
  551    H    VAL  79           HN       VAL  79   1.958  -8.312   0.309
  552    HA   VAL  79           HA       VAL  79   4.049  -9.708  -0.859
  553    HB   VAL  79           HB       VAL  79   3.416  -9.057   1.998
  554   HG11  VAL  79          HG11      VAL  79   6.172  -9.717   1.008
  555   HG12  VAL  79          HG12      VAL  79   5.088 -10.984   1.601
  556   HG13  VAL  79          HG13      VAL  79   5.563  -9.663   2.670
  557   HG21  VAL  79          HG21      VAL  79   5.272  -7.731   0.022
  558   HG22  VAL  79          HG22      VAL  79   4.949  -7.208   1.677
  559   HG23  VAL  79          HG23      VAL  79   3.664  -7.154   0.470
  560    H    SER  80           HN       SER  80   3.788 -11.769  -1.523
  561    HA   SER  80           HA       SER  80   2.274 -13.687  -0.013
  562    HB2  SER  80           HB2      SER  80   3.147 -15.260  -1.819
  563    HB3  SER  80           HB1      SER  80   2.133 -13.923  -2.359
  564    HG   SER  80           HG       SER  80   4.469 -14.504  -3.273
  565    H    GLY  81           HN       GLY  81   5.641 -13.699  -1.179
  566    HA2  GLY  81           HA2      GLY  81   6.417 -15.327   1.130
  567    HA3  GLY  81           HA1      GLY  81   7.421 -14.989  -0.280
  568    HA   PRO  82           HA       PRO  82   9.009 -12.066   2.865
  569    HB2  PRO  82           HB2      PRO  82  11.572 -12.535   2.285
  570    HB3  PRO  82           HB1      PRO  82  10.676 -13.507   3.454
  571    HG2  PRO  82           HG2      PRO  82  11.212 -14.094   0.552
  572    HG3  PRO  82           HG1      PRO  82  11.420 -15.145   1.963
  573    HD2  PRO  82           HD2      PRO  82   9.268 -15.313   0.398
  574    HD3  PRO  82           HD1      PRO  82   9.150 -15.525   2.159
  575    H    SER  83           HN       SER  83   8.739 -10.067   2.016
  576    HA   SER  83           HA       SER  83   9.798  -9.432  -0.615
  577    HB2  SER  83           HB2      SER  83   8.383  -7.651   1.391
  578    HB3  SER  83           HB1      SER  83   8.729  -7.262  -0.285
  579    HG   SER  83           HG       SER  83   7.247  -8.665  -0.972
  580    H    THR  84           HN       THR  84  11.658  -8.336  -0.978
  581    HA   THR  84           HA       THR  84  13.253  -7.658   1.414
  582    HB   THR  84           HB       THR  84  14.403  -7.969  -1.344
  583    HG1  THR  84           HG1      THR  84  13.497  -9.962  -1.117
  584   HG21  THR  84          HG21      THR  84  16.389  -8.667  -0.011
  585   HG22  THR  84          HG22      THR  84  15.464  -8.359   1.462
  586   HG23  THR  84          HG23      THR  84  15.846  -7.030   0.365
  587    H    SER  85           HN       SER  85  12.387  -6.594  -1.845
  588    HA   SER  85           HA       SER  85  13.719  -4.064  -1.564
  589    HB2  SER  85           HB2      SER  85  11.645  -4.867  -3.641
  590    HB3  SER  85           HB1      SER  85  12.849  -3.584  -3.768
  591    HG   SER  85           HG       SER  85  13.306  -6.387  -3.693
  592    H    HIS  86           HN       HIS  86  12.768  -3.183   0.337
  593    HA   HIS  86           HA       HIS  86  10.155  -2.027  -0.040
  594    HB2  HIS  86           HB2      HIS  86   9.071  -3.060   1.808
  595    HB3  HIS  86           HB1      HIS  86   9.702  -4.353   0.798
  596    HD1  HIS  86           HD1      HIS  86  11.224  -6.021   1.928
  597    HD2  HIS  86           HD2      HIS  86  10.594  -2.633   4.246
  598    HE1  HIS  86           HE1      HIS  86  12.260  -6.528   4.157
  599    HE2  HIS  86           HE2      HIS  86  12.106  -4.364   5.434
  600    H    LEU  87           HN       LEU  87   9.478  -0.711   1.809
  601    HA   LEU  87           HA       LEU  87  11.675   0.217   3.527
  602    HB2  LEU  87           HB2      LEU  87   9.846   1.857   1.802
  603    HB3  LEU  87           HB1      LEU  87  10.632   2.559   3.207
  604    HG   LEU  87           HG       LEU  87  12.705   1.326   1.782
  605   HD11  LEU  87          HD11      LEU  87  12.520   2.170  -0.487
  606   HD12  LEU  87          HD12      LEU  87  10.880   2.725  -0.151
  607   HD13  LEU  87          HD13      LEU  87  11.248   1.000  -0.130
  608   HD21  LEU  87          HD21      LEU  87  13.291   3.702   1.166
  609   HD22  LEU  87          HD22      LEU  87  13.036   3.382   2.882
  610   HD23  LEU  87          HD23      LEU  87  11.777   4.174   1.938
  611    H    THR  88           HN       THR  88  11.009  -0.146   5.582
  612    HA   THR  88           HA       THR  88   8.151  -0.127   6.148
  613    HB   THR  88           HB       THR  88  10.302  -0.545   8.195
  614    HG1  THR  88           HG1      THR  88  10.787  -2.285   7.046
  615   HG21  THR  88          HG21      THR  88   7.427  -1.364   8.016
  616   HG22  THR  88          HG22      THR  88   8.124  -0.165   9.109
  617   HG23  THR  88          HG23      THR  88   8.533  -1.877   9.289
  618    H    ARG  89           HN       ARG  89   7.749   2.066   5.818
  619    HA   ARG  89           HA       ARG  89   8.345   3.539   8.250
  620    HB2  ARG  89           HB2      ARG  89   7.817   5.602   6.651
  621    HB3  ARG  89           HB1      ARG  89   9.440   4.961   6.862
  622    HG2  ARG  89           HG2      ARG  89   9.011   5.246   4.561
  623    HG3  ARG  89           HG1      ARG  89   9.006   3.513   4.930
  624    HD2  ARG  89           HD2      ARG  89   6.759   3.346   4.818
  625    HD3  ARG  89           HD1      ARG  89   6.486   5.047   5.105
  626    HE   ARG  89           HE       ARG  89   7.409   3.981   2.532
  627   HH11  ARG  89          HH11      ARG  89   5.539   6.168   4.491
  628   HH12  ARG  89          HH12      ARG  89   4.535   6.715   3.191
  629   HH21  ARG  89          HH21      ARG  89   6.063   4.651   0.799
  630   HH22  ARG  89          HH22      ARG  89   4.832   5.836   1.075
  631    HA   PRO  90           HA       PRO  90   3.833   2.478   7.649
  632    HB2  PRO  90           HB2      PRO  90   3.939   1.706  10.452
  633    HB3  PRO  90           HB1      PRO  90   3.449   0.759   9.062
  634    HG2  PRO  90           HG2      PRO  90   5.769   0.271  10.392
  635    HG3  PRO  90           HG1      PRO  90   5.551  -0.029   8.664
  636    HD2  PRO  90           HD2      PRO  90   6.957   2.197  10.027
  637    HD3  PRO  90           HD1      PRO  90   7.354   1.360   8.529
  638    H    SER  91           HN       SER  91   5.593   4.243  10.023
  639    HA   SER  91           HA       SER  91   3.577   5.833  11.125
  640    HB2  SER  91           HB2      SER  91   5.593   7.517  11.204
  641    HB3  SER  91           HB1      SER  91   5.662   6.033  12.164
  642    HG   SER  91           HG       SER  91   7.244   6.858  10.115
  643    H    GLU  92           HN       GLU  92   5.320   5.985   8.089
  644    HA   GLU  92           HA       GLU  92   4.425   8.703   7.616
  645    HB2  GLU  92           HB2      GLU  92   6.806   7.746   7.303
  646    HB3  GLU  92           HB1      GLU  92   6.198   7.143   5.763
  647    HG2  GLU  92           HG2      GLU  92   7.274   9.244   5.414
  648    HG3  GLU  92           HG1      GLU  92   5.543   9.456   5.169
  649    H    LEU  93           HN       LEU  93   3.622   5.475   6.530
  650    HA   LEU  93           HA       LEU  93   2.101   6.376   4.253
  651    HB2  LEU  93           HB2      LEU  93   2.040   3.856   5.881
  652    HB3  LEU  93           HB1      LEU  93   0.782   4.195   4.720
  653    HG   LEU  93           HG       LEU  93   2.196   2.771   3.592
  654   HD11  LEU  93          HD11      LEU  93   1.702   4.689   2.218
  655   HD12  LEU  93          HD12      LEU  93   3.318   4.079   1.852
  656   HD13  LEU  93          HD13      LEU  93   3.124   5.531   2.835
  657   HD21  LEU  93          HD21      LEU  93   4.014   2.760   5.215
  658   HD22  LEU  93          HD22      LEU  93   4.573   4.311   4.593
  659   HD23  LEU  93          HD23      LEU  93   4.609   2.881   3.559
  660    H    GLN  94           HN       GLN  94   1.326   5.432   7.560
  661    HA   GLN  94           HA       GLN  94  -1.456   5.927   7.409
  662    HB2  GLN  94           HB2      GLN  94   0.464   5.059   9.359
  663    HB3  GLN  94           HB1      GLN  94  -0.535   6.304  10.072
  664    HG2  GLN  94           HG2      GLN  94  -1.539   3.784   8.781
  665    HG3  GLN  94           HG1      GLN  94  -1.390   4.063  10.513
  666   HE21  GLN  94          HE21      GLN  94  -3.211   4.660   7.664
  667   HE22  GLN  94          HE22      GLN  94  -4.556   5.431   8.420
  668    H    ALA  95           HN       ALA  95   1.290   7.885   7.762
  669    HA   ALA  95           HA       ALA  95   0.202  10.208   8.907
  670    HB1  ALA  95           HB1      ALA  95   2.166  11.280   8.203
  671    HB2  ALA  95           HB2      ALA  95   2.427  10.106   6.915
  672    HB3  ALA  95           HB3      ALA  95   2.622   9.617   8.600
  673    H    VAL  96           HN       VAL  96   0.794   9.415   5.441
  674    HA   VAL  96           HA       VAL  96  -0.510  11.818   4.643
  675    HB   VAL  96           HB       VAL  96   0.449  11.495   2.672
  676   HG11  VAL  96          HG11      VAL  96   1.313   8.797   3.663
  677   HG12  VAL  96          HG12      VAL  96   2.166  10.323   3.901
  678   HG13  VAL  96          HG13      VAL  96   1.984   9.658   2.268
  679   HG21  VAL  96          HG21      VAL  96  -0.169   9.652   1.173
  680   HG22  VAL  96          HG22      VAL  96  -1.581  10.427   1.912
  681   HG23  VAL  96          HG23      VAL  96  -1.003   8.865   2.516
  682    H    ILE  97           HN       ILE  97  -1.450   8.555   5.310
  683    HA   ILE  97           HA       ILE  97  -4.004   8.649   4.163
  684    HB   ILE  97           HB       ILE  97  -2.850   7.237   6.525
  685   HG12  ILE  97          HG12      ILE  97  -4.238   5.993   4.184
  686   HG13  ILE  97          HG11      ILE  97  -2.613   6.644   3.989
  687   HG21  ILE  97          HG21      ILE  97  -5.724   7.109   5.663
  688   HG22  ILE  97          HG22      ILE  97  -5.120   7.827   7.157
  689   HG23  ILE  97          HG23      ILE  97  -4.955   6.090   6.884
  690   HD11  ILE  97          HD11      ILE  97  -3.495   4.456   5.840
  691   HD12  ILE  97          HD12      ILE  97  -1.894   5.197   5.880
  692   HD13  ILE  97          HD13      ILE  97  -2.429   4.327   4.443
  693    H    ASP  98           HN       ASP  98  -2.926   9.383   7.456
  694    HA   ASP  98           HA       ASP  98  -5.213  10.667   8.374
  695    HB2  ASP  98           HB2      ASP  98  -3.501  10.101   9.930
  696    HB3  ASP  98           HB1      ASP  98  -2.283  11.011   9.042
  697    H    SER  99           HN       SER  99  -2.459  11.960   6.577
  698    HA   SER  99           HA       SER  99  -3.299  14.686   6.796
  699    HB2  SER  99           HB2      SER  99  -0.971  14.182   6.643
  700    HB3  SER  99           HB1      SER  99  -1.180  13.345   5.105
  701    HG   SER  99           HG       SER  99  -1.045  15.200   4.132
  702    H    ASP 100           HN       ASP 100  -3.032  12.488   3.970
  703    HA   ASP 100           HA       ASP 100  -4.341  14.317   2.234
  704    HB2  ASP 100           HB2      ASP 100  -3.031  11.799   2.034
  705    HB3  ASP 100           HB1      ASP 100  -4.407  11.858   1.028
  706    H    LYS 101           HN       LYS 101  -5.624  12.168   4.534
  707    HA   LYS 101           HA       LYS 101  -8.009  11.353   3.391
  708    HB2  LYS 101           HB2      LYS 101  -6.991  11.803   6.045
  709    HB3  LYS 101           HB1      LYS 101  -8.680  12.305   5.939
  710    HG2  LYS 101           HG2      LYS 101  -9.404  10.212   5.855
  711    HG3  LYS 101           HG1      LYS 101  -8.128   9.692   4.755
  712    HD2  LYS 101           HD2      LYS 101  -7.945   8.556   6.904
  713    HD3  LYS 101           HD1      LYS 101  -6.578   9.630   6.645
  714    HE2  LYS 101           HE2      LYS 101  -7.160  10.086   8.832
  715    HE3  LYS 101           HE1      LYS 101  -7.988  11.351   7.926
  716    HZ1  LYS 101           HZ1      LYS 101  -9.382  10.319   9.643
  717    HZ2  LYS 101           HZ2      LYS 101  -9.268   8.832   8.833
  718    HZ3  LYS 101           HZ3      LYS 101 -10.035  10.151   8.088
  719    H    SER 102           HN       SER 102  -6.996  14.561   4.305
  720    HA   SER 102           HA       SER 102  -9.564  15.785   4.192
  721    HB2  SER 102           HB2      SER 102  -7.204  16.657   5.092
  722    HB3  SER 102           HB1      SER 102  -7.120  17.339   3.468
  723    HG   SER 102           HG       SER 102  -9.133  17.773   5.429
  724    H    ASN 103           HN       ASN 103  -7.367  14.604   1.889
  725    HA   ASN 103           HA       ASN 103  -8.566  16.016  -0.362
  726    HB2  ASN 103           HB2      ASN 103  -6.007  15.374   0.007
  727    HB3  ASN 103           HB1      ASN 103  -6.543  13.842  -0.663
  728   HD21  ASN 103          HD21      ASN 103  -5.182  14.189  -2.467
  729   HD22  ASN 103          HD22      ASN 103  -5.653  15.266  -3.737
  730    H    TYR 104           HN       TYR 104  -8.324  12.853   1.115
  731    HA   TYR 104           HA       TYR 104 -10.694  11.981  -0.359
  732    HB2  TYR 104           HB2      TYR 104  -8.861   9.763  -0.026
  733    HB3  TYR 104           HB1      TYR 104  -9.719  10.286  -1.467
  734    HD1  TYR 104           HD2      TYR 104  -6.734  11.076   0.583
  735    HD2  TYR 104           HD1      TYR 104  -8.513  11.122  -3.280
  736    HE1  TYR 104           HE2      TYR 104  -4.613  11.832  -0.359
  737    HE2  TYR 104           HE1      TYR 104  -6.387  11.873  -4.261
  738    HH   TYR 104           HH       TYR 104  -4.352  12.757  -3.758
  739    H    CYS 105           HN       CYS 105 -12.086  11.294   1.105
  740    HA   CYS 105           HA       CYS 105 -11.362   9.333   3.014
  741    HB2  CYS 105           HB2      CYS 105 -10.827  10.886   4.585
  742    HB3  CYS 105           HB1      CYS 105 -11.776  12.156   3.821
  743    HG   CYS 105           HG       CYS 105 -14.170  11.476   4.949
  744    H    THR 106           HN       THR 106 -13.421   8.614   4.190
  745    HA   THR 106           HA       THR 106 -15.012   7.616   2.196
  746    HB   THR 106           HB       THR 106 -16.625   7.061   4.140
  747    HG1  THR 106           HG1      THR 106 -15.798   8.723   5.555
  748   HG21  THR 106          HG21      THR 106 -15.049   5.345   4.964
  749   HG22  THR 106          HG22      THR 106 -13.753   6.174   4.095
  750   HG23  THR 106          HG23      THR 106 -15.100   5.466   3.204
  751    H    ASP 107           HN       ASP 107 -16.169   8.778   0.859
  752    HA   ASP 107           HA       ASP 107 -18.539  10.060   1.968
  753    HB2  ASP 107           HB2      ASP 107 -16.884  11.889   1.516
  754    HB3  ASP 107           HB1      ASP 107 -16.899  11.416  -0.182
  755    H    LYS 108           HN       LYS 108 -16.814   9.069  -0.974
  756    HA   LYS 108           HA       LYS 108 -19.329   7.848  -1.870
  757    HB2  LYS 108           HB2      LYS 108 -18.811   8.421  -4.189
  758    HB3  LYS 108           HB1      LYS 108 -18.961   9.863  -3.199
  759    HG2  LYS 108           HG2      LYS 108 -17.125  10.399  -4.445
  760    HG3  LYS 108           HG1      LYS 108 -16.346   9.654  -3.051
  761    HD2  LYS 108           HD2      LYS 108 -15.542   7.938  -4.275
  762    HD3  LYS 108           HD1      LYS 108 -17.058   7.757  -5.167
  763    HE2  LYS 108           HE2      LYS 108 -16.440   9.725  -6.538
  764    HE3  LYS 108           HE1      LYS 108 -14.894   9.794  -5.690
  765    HZ1  LYS 108           HZ1      LYS 108 -14.168   7.843  -6.667
  766    HZ2  LYS 108           HZ2      LYS 108 -15.023   8.576  -7.933
  767    HZ3  LYS 108           HZ3      LYS 108 -15.736   7.317  -7.055
  768    H    SER 109           HN       SER 109 -16.577   7.103  -0.616
  769    HA   SER 109           HA       SER 109 -15.040   5.456  -0.698
  770    HB2  SER 109           HB2      SER 109 -17.046   4.154  -2.535
  771    HB3  SER 109           HB1      SER 109 -15.631   3.359  -1.847
  772    HG   SER 109           HG       SER 109 -16.545   4.063   0.253
  773    H    GLU 110           HN       GLU 110 -13.875   7.228  -1.790
  774    HA   GLU 110           HA       GLU 110 -13.489   7.044  -4.634
  775    HB2  GLU 110           HB2      GLU 110 -13.285   9.194  -3.437
  776    HB3  GLU 110           HB1      GLU 110 -11.911   8.566  -2.541
  777    HG2  GLU 110           HG2      GLU 110 -11.150  10.001  -4.314
  778    HG3  GLU 110           HG1      GLU 110 -10.660   8.341  -4.644
  779    H    GLN 111           HN       GLN 111 -12.956   4.793  -4.687
  780    HA   GLN 111           HA       GLN 111 -10.101   4.330  -4.275
  781    HB2  GLN 111           HB2      GLN 111 -10.753   1.942  -3.549
  782    HB3  GLN 111           HB1      GLN 111 -10.897   3.232  -2.366
  783    HG2  GLN 111           HG2      GLN 111 -12.825   1.928  -2.121
  784    HG3  GLN 111           HG1      GLN 111 -13.338   3.369  -2.993
  785   HE21  GLN 111          HE21      GLN 111 -15.119   2.434  -3.894
  786   HE22  GLN 111          HE22      GLN 111 -15.040   1.216  -5.117
  787    H    GLN 112           HN       GLN 112  -9.395   2.308  -5.459
  788    HA   GLN 112           HA       GLN 112 -10.973   1.242  -7.539
  789    HB2  GLN 112           HB2      GLN 112  -9.792   2.281  -9.469
  790    HB3  GLN 112           HB1      GLN 112 -10.784   3.421  -8.573
  791    HG2  GLN 112           HG2      GLN 112  -8.781   4.261  -7.437
  792    HG3  GLN 112           HG1      GLN 112  -7.797   3.128  -8.363
  793   HE21  GLN 112          HE21      GLN 112  -9.383   3.479 -10.785
  794   HE22  GLN 112          HE22      GLN 112  -8.953   5.032 -11.421
  795    HA   PRO 113           HA       PRO 113  -7.425  -1.450  -7.289
  796    HB2  PRO 113           HB2      PRO 113  -8.268  -3.379  -8.929
  797    HB3  PRO 113           HB1      PRO 113  -9.064  -3.095  -7.376
  798    HG2  PRO 113           HG2      PRO 113  -9.921  -2.280 -10.122
  799    HG3  PRO 113           HG1      PRO 113 -10.899  -2.900  -8.779
  800    HD2  PRO 113           HD2      PRO 113 -10.645  -0.222  -9.456
  801    HD3  PRO 113           HD1      PRO 113 -11.152  -0.826  -7.867
  802    H    SER 114           HN       SER 114  -7.955   0.704  -9.565
  803    HA   SER 114           HA       SER 114  -6.616  -0.378 -11.849
  804    HB2  SER 114           HB2      SER 114  -7.095   2.547 -11.289
  805    HB3  SER 114           HB1      SER 114  -7.008   1.732 -12.851
  806    HG   SER 114           HG       SER 114  -9.087   1.512 -12.705
  807    H    GLN 115           HN       GLN 115  -4.844  -0.967 -10.069
  808    HA   GLN 115           HA       GLN 115  -2.937   1.142  -9.551
  809    HB2  GLN 115           HB2      GLN 115  -2.805  -1.841  -9.085
  810    HB3  GLN 115           HB1      GLN 115  -1.582  -0.694  -8.559
  811    HG2  GLN 115           HG2      GLN 115  -3.091   0.343  -7.044
  812    HG3  GLN 115           HG1      GLN 115  -4.457  -0.566  -7.695
  813   HE21  GLN 115          HE21      GLN 115  -2.915  -3.022  -7.920
  814   HE22  GLN 115          HE22      GLN 115  -2.772  -3.646  -6.312
  815    H    ALA 116           HN       ALA 116  -3.061   1.358 -12.092
  816    HA   ALA 116           HA       ALA 116  -1.469  -0.484 -13.593
  817    HB1  ALA 116           HB1      ALA 116  -3.267   0.809 -14.638
  818    HB2  ALA 116           HB2      ALA 116  -1.717   1.107 -15.424
  819    HB3  ALA 116           HB3      ALA 116  -2.386   2.300 -14.311
  820    H    THR 117           HN       THR 117  -0.984   2.945 -12.735
  821    HA   THR 117           HA       THR 117   1.796   2.510 -12.140
  822    HB   THR 117           HB       THR 117   1.156   4.273 -14.518
  823    HG1  THR 117           HG1      THR 117   1.638   1.570 -14.382
  824   HG21  THR 117          HG21      THR 117   3.122   4.958 -13.244
  825   HG22  THR 117          HG22      THR 117   3.585   4.321 -14.821
  826   HG23  THR 117          HG23      THR 117   3.788   3.330 -13.376
  827    HA   PRO 118           HA       PRO 118   0.799   6.299  -9.840
  828    HB2  PRO 118           HB2      PRO 118   3.661   6.110  -9.147
  829    HB3  PRO 118           HB1      PRO 118   2.255   6.181  -8.080
  830    HG2  PRO 118           HG2      PRO 118   3.671   3.926  -8.382
  831    HG3  PRO 118           HG1      PRO 118   1.911   3.899  -8.158
  832    HD2  PRO 118           HD2      PRO 118   3.508   3.587 -10.677
  833    HD3  PRO 118           HD1      PRO 118   2.066   2.698 -10.142
  834    HA   PRO 119           HA       PRO 119   2.351   8.289 -13.531
  835    HB2  PRO 119           HB2      PRO 119   0.706  10.575 -12.747
  836    HB3  PRO 119           HB1      PRO 119   0.543   9.507 -14.143
  837    HG2  PRO 119           HG2      PRO 119  -1.209   9.480 -12.094
  838    HG3  PRO 119           HG1      PRO 119  -0.801   8.022 -13.016
  839    HD2  PRO 119           HD2      PRO 119   0.205   8.913 -10.335
  840    HD3  PRO 119           HD1      PRO 119  -0.293   7.292 -10.869
  841    HA   PRO 120           HA       PRO 120   5.462  11.079 -11.808
  842    HB2  PRO 120           HB2      PRO 120   6.286  11.188 -14.632
  843    HB3  PRO 120           HB1      PRO 120   7.215  10.687 -13.217
  844    HG2  PRO 120           HG2      PRO 120   6.391   8.918 -15.063
  845    HG3  PRO 120           HG1      PRO 120   6.480   8.501 -13.342
  846    HD2  PRO 120           HD2      PRO 120   4.091   9.240 -14.990
  847    HD3  PRO 120           HD1      PRO 120   4.259   7.973 -13.755
  848    H    GLU 121           HN       GLU 121   3.206  11.371 -14.395
  849    HA   GLU 121           HA       GLU 121   3.444  14.200 -14.799
  850    HB2  GLU 121           HB2      GLU 121   1.060  12.452 -15.421
  851    HB3  GLU 121           HB1      GLU 121   1.498  13.973 -16.181
  852    HG2  GLU 121           HG2      GLU 121   3.436  12.925 -17.201
  853    HG3  GLU 121           HG1      GLU 121   3.043  11.401 -16.407
  854    H    ILE 122           HN       ILE 122   3.425  14.650 -12.448
  855    HA   ILE 122           HA       ILE 122   1.250  14.085 -10.783
  856    HB   ILE 122           HB       ILE 122   2.115  15.975  -9.370
  857   HG12  ILE 122          HG12      ILE 122   4.233  16.126 -11.531
  858   HG13  ILE 122          HG11      ILE 122   3.005  17.351 -11.231
  859   HG21  ILE 122          HG21      ILE 122   4.184  14.814  -8.779
  860   HG22  ILE 122          HG22      ILE 122   4.111  13.917 -10.295
  861   HG23  ILE 122          HG23      ILE 122   2.863  13.683  -9.071
  862   HD11  ILE 122          HD11      ILE 122   5.191  16.524  -9.337
  863   HD12  ILE 122          HD12      ILE 122   3.943  17.724  -9.000
  864   HD13  ILE 122          HD13      ILE 122   5.123  18.014 -10.279
  865    HA   PRO 123           HA       PRO 123  -1.627  17.253 -12.216
  866    HB2  PRO 123           HB2      PRO 123  -3.581  15.918 -10.567
  867    HB3  PRO 123           HB1      PRO 123  -3.513  15.995 -12.328
  868    HG2  PRO 123           HG2      PRO 123  -3.125  13.702 -10.877
  869    HG3  PRO 123           HG1      PRO 123  -2.460  13.977 -12.497
  870    HD2  PRO 123           HD2      PRO 123  -1.123  14.218  -9.828
  871    HD3  PRO 123           HD1      PRO 123  -0.487  13.564 -11.354
  Start of MODEL    5
    1    H1   ALA   1           HT1      ALA   1  -1.986  11.296  -8.328
    2    H2   ALA   1           HT2      ALA   1  -0.739  10.816  -7.287
    3    H3   ALA   1           HT3      ALA   1  -1.839  12.015  -6.805
    4    HA   ALA   1           HA       ALA   1  -2.511   9.187  -7.361
    5    HB1  ALA   1           HB1      ALA   1  -1.137   9.617  -5.301
    6    HB2  ALA   1           HB2      ALA   1  -2.689   8.815  -5.060
    7    HB3  ALA   1           HB3      ALA   1  -2.512  10.533  -4.674
    8    HA   PRO   2           HA       PRO   2  -6.634  10.806  -7.649
    9    HB2  PRO   2           HB2      PRO   2  -7.499   8.087  -7.804
   10    HB3  PRO   2           HB1      PRO   2  -7.405   9.287  -9.077
   11    HG2  PRO   2           HG2      PRO   2  -5.811   7.082  -9.004
   12    HG3  PRO   2           HG1      PRO   2  -5.305   8.617  -9.737
   13    HD2  PRO   2           HD2      PRO   2  -4.673   7.546  -7.006
   14    HD3  PRO   2           HD1      PRO   2  -3.603   8.325  -8.188
   15    H    THR   3           HN       THR   3  -5.737   8.149  -5.552
   16    HA   THR   3           HA       THR   3  -7.888   8.930  -3.734
   17    HB   THR   3           HB       THR   3  -8.358   6.593  -3.214
   18    HG1  THR   3           HG1      THR   3  -7.134   5.026  -3.958
   19   HG21  THR   3          HG21      THR   3  -9.733   7.643  -4.907
   20   HG22  THR   3          HG22      THR   3  -9.439   5.964  -5.366
   21   HG23  THR   3          HG23      THR   3  -8.545   7.269  -6.158
   22    H    LEU   4           HN       LEU   4  -7.502   7.623  -1.540
   23    HA   LEU   4           HA       LEU   4  -5.142   8.834  -0.601
   24    HB2  LEU   4           HB2      LEU   4  -7.130   8.708   0.765
   25    HB3  LEU   4           HB1      LEU   4  -7.045   6.955   0.770
   26    HG   LEU   4           HG       LEU   4  -4.817   7.183   1.955
   27   HD11  LEU   4          HD11      LEU   4  -4.366   9.485   1.300
   28   HD12  LEU   4          HD12      LEU   4  -4.429   9.346   3.063
   29   HD13  LEU   4          HD13      LEU   4  -5.800  10.022   2.182
   30   HD21  LEU   4          HD21      LEU   4  -5.851   7.648   4.130
   31   HD22  LEU   4          HD22      LEU   4  -6.837   6.563   3.151
   32   HD23  LEU   4          HD23      LEU   4  -7.286   8.261   3.309
   33    H    GLN   5           HN       GLN   5  -5.943   5.526  -1.421
   34    HA   GLN   5           HA       GLN   5  -3.644   4.243  -0.402
   35    HB2  GLN   5           HB2      GLN   5  -5.569   3.005  -1.034
   36    HB3  GLN   5           HB1      GLN   5  -5.474   3.590  -2.685
   37    HG2  GLN   5           HG2      GLN   5  -4.745   1.282  -2.426
   38    HG3  GLN   5           HG1      GLN   5  -3.493   2.312  -3.087
   39   HE21  GLN   5          HE21      GLN   5  -1.577   2.432  -2.045
   40   HE22  GLN   5          HE22      GLN   5  -1.230   1.585  -0.581
   41    H    GLU   6           HN       GLU   6  -4.244   5.677  -3.647
   42    HA   GLU   6           HA       GLU   6  -1.615   4.964  -4.511
   43    HB2  GLU   6           HB2      GLU   6  -3.407   5.365  -6.164
   44    HB3  GLU   6           HB1      GLU   6  -3.420   7.062  -5.718
   45    HG2  GLU   6           HG2      GLU   6  -1.245   7.384  -6.538
   46    HG3  GLU   6           HG1      GLU   6  -0.980   5.674  -6.717
   47    H    ALA   7           HN       ALA   7  -2.947   7.569  -2.688
   48    HA   ALA   7           HA       ALA   7  -0.773   9.378  -2.938
   49    HB1  ALA   7           HB1      ALA   7  -2.910  10.066  -2.017
   50    HB2  ALA   7           HB2      ALA   7  -1.615  10.341  -0.848
   51    HB3  ALA   7           HB3      ALA   7  -2.703   8.960  -0.653
   52    H    LEU   8           HN       LEU   8  -1.375   6.509  -1.078
   53    HA   LEU   8           HA       LEU   8   0.950   6.705   0.540
   54    HB2  LEU   8           HB2      LEU   8  -0.753   4.398  -0.262
   55    HB3  LEU   8           HB1      LEU   8   0.613   4.248   0.819
   56    HG   LEU   8           HG       LEU   8  -1.994   5.621   1.278
   57   HD11  LEU   8          HD11      LEU   8  -1.732   3.254   1.813
   58   HD12  LEU   8          HD12      LEU   8  -1.969   4.237   3.258
   59   HD13  LEU   8          HD13      LEU   8  -0.355   3.648   2.851
   60   HD21  LEU   8          HD21      LEU   8  -0.425   7.265   1.965
   61   HD22  LEU   8          HD22      LEU   8   0.594   6.049   2.735
   62   HD23  LEU   8          HD23      LEU   8  -0.985   6.429   3.416
   63    H    ASP   9           HN       ASP   9   0.143   4.986  -2.432
   64    HA   ASP   9           HA       ASP   9   2.624   3.847  -2.991
   65    HB2  ASP   9           HB2      ASP   9   0.595   4.969  -4.961
   66    HB3  ASP   9           HB1      ASP   9   1.879   3.828  -5.351
   67    H    ARG  10           HN       ARG  10   1.471   7.053  -3.156
   68    HA   ARG  10           HA       ARG  10   3.474   8.146  -4.894
   69    HB2  ARG  10           HB2      ARG  10   1.059   8.883  -4.504
   70    HB3  ARG  10           HB1      ARG  10   1.602   9.547  -2.976
   71    HG2  ARG  10           HG2      ARG  10   2.814  11.223  -4.007
   72    HG3  ARG  10           HG1      ARG  10   2.845  10.380  -5.566
   73    HD2  ARG  10           HD2      ARG  10   0.441  10.651  -5.755
   74    HD3  ARG  10           HD1      ARG  10   0.386  11.444  -4.190
   75    HE   ARG  10           HE       ARG  10   1.788  12.604  -6.522
   76   HH11  ARG  10          HH11      ARG  10  -0.214  12.888  -3.659
   77   HH12  ARG  10          HH12      ARG  10  -0.554  14.574  -3.899
   78   HH21  ARG  10          HH21      ARG  10   1.380  14.851  -6.825
   79   HH22  ARG  10          HH22      ARG  10   0.389  15.704  -5.674
   80    H    LYS  11           HN       LYS  11   2.892   7.837  -1.443
   81    HA   LYS  11           HA       LYS  11   5.191   9.330  -0.615
   82    HB2  LYS  11           HB2      LYS  11   3.131   8.848   0.776
   83    HB3  LYS  11           HB1      LYS  11   3.753   7.223   0.950
   84    HG2  LYS  11           HG2      LYS  11   4.281   8.745   2.841
   85    HG3  LYS  11           HG1      LYS  11   5.671   7.964   2.097
   86    HD2  LYS  11           HD2      LYS  11   6.152  10.278   2.503
   87    HD3  LYS  11           HD1      LYS  11   6.094   9.967   0.771
   88    HE2  LYS  11           HE2      LYS  11   3.897  10.884   0.621
   89    HE3  LYS  11           HE1      LYS  11   3.805  11.055   2.364
   90    HZ1  LYS  11           HZ1      LYS  11   5.665  12.652   2.231
   91    HZ2  LYS  11           HZ2      LYS  11   4.287  13.175   1.400
   92    HZ3  LYS  11           HZ3      LYS  11   5.603  12.551   0.536
   93    H    CYS  12           HN       CYS  12   4.326   6.006  -1.172
   94    HA   CYS  12           HA       CYS  12   6.734   4.717  -0.577
   95    HB2  CYS  12           HB2      CYS  12   4.501   4.101  -2.500
   96    HB3  CYS  12           HB1      CYS  12   5.800   2.981  -2.157
   97    HG   CYS  12           HG       CYS  12   3.240   3.939  -0.186
   98    H    ALA  13           HN       ALA  13   5.666   6.436  -3.426
   99    HA   ALA  13           HA       ALA  13   7.819   5.587  -5.105
  100    HB1  ALA  13           HB1      ALA  13   5.814   7.847  -5.254
  101    HB2  ALA  13           HB2      ALA  13   5.847   6.341  -6.180
  102    HB3  ALA  13           HB3      ALA  13   7.059   7.585  -6.482
  103    H    GLN  14           HN       GLN  14   7.441   7.867  -2.598
  104    HA   GLN  14           HA       GLN  14   9.677   9.500  -3.293
  105    HB2  GLN  14           HB2      GLN  14   8.037   9.197  -0.801
  106    HB3  GLN  14           HB1      GLN  14   9.426  10.279  -0.899
  107    HG2  GLN  14           HG2      GLN  14   8.322  11.373  -2.835
  108    HG3  GLN  14           HG1      GLN  14   6.905  10.387  -2.511
  109   HE21  GLN  14          HE21      GLN  14   8.998  11.697  -0.039
  110   HE22  GLN  14          HE22      GLN  14   7.861  12.840   0.603
  111    H    PHE  15           HN       PHE  15   9.056   7.134  -0.752
  112    HA   PHE  15           HA       PHE  15  11.738   7.052   0.179
  113    HB2  PHE  15           HB2      PHE  15   9.573   4.989   0.595
  114    HB3  PHE  15           HB1      PHE  15  11.014   5.216   1.580
  115    HD1  PHE  15           HD2      PHE  15  11.127   8.036   2.050
  116    HD2  PHE  15           HD1      PHE  15   7.753   5.467   1.844
  117    HE1  PHE  15           HE2      PHE  15   9.863   9.586   3.480
  118    HE2  PHE  15           HE1      PHE  15   6.482   7.003   3.261
  119    HZ   PHE  15           HZ       PHE  15   7.540   9.061   4.072
  120    H    GLY  16           HN       GLY  16   9.791   4.774  -1.719
  121    HA2  GLY  16           HA2      GLY  16  11.583   2.696  -1.986
  122    HA3  GLY  16           HA1      GLY  16  10.385   3.147  -3.194
  123    H    LYS  17           HN       LYS  17  11.141   5.390  -4.246
  124    HA   LYS  17           HA       LYS  17  13.341   4.483  -5.828
  125    HB2  LYS  17           HB2      LYS  17  11.978   7.126  -6.113
  126    HB3  LYS  17           HB1      LYS  17  12.704   6.111  -7.357
  127    HG2  LYS  17           HG2      LYS  17  10.236   5.391  -5.807
  128    HG3  LYS  17           HG1      LYS  17  10.230   6.166  -7.372
  129    HD2  LYS  17           HD2      LYS  17  11.444   4.208  -8.301
  130    HD3  LYS  17           HD1      LYS  17  11.312   3.419  -6.721
  131    HE2  LYS  17           HE2      LYS  17   9.552   2.675  -8.238
  132    HE3  LYS  17           HE1      LYS  17   8.890   3.536  -6.849
  133    HZ1  LYS  17           HZ1      LYS  17   9.222   4.598  -9.606
  134    HZ2  LYS  17           HZ2      LYS  17   8.743   5.540  -8.285
  135    HZ3  LYS  17           HZ3      LYS  17   7.762   4.260  -8.814
  136    H    GLU  18           HN       GLU  18  12.838   6.715  -3.245
  137    HA   GLU  18           HA       GLU  18  15.227   8.170  -3.333
  138    HB2  GLU  18           HB2      GLU  18  13.728   8.766  -1.647
  139    HB3  GLU  18           HB1      GLU  18  13.537   7.115  -1.079
  140    HG2  GLU  18           HG2      GLU  18  15.942   7.255  -0.312
  141    HG3  GLU  18           HG1      GLU  18  15.845   8.985  -0.644
  142    H    SER  19           HN       SER  19  14.571   4.936  -2.013
  143    HA   SER  19           HA       SER  19  17.229   4.257  -1.400
  144    HB2  SER  19           HB2      SER  19  15.002   2.437  -2.293
  145    HB3  SER  19           HB1      SER  19  16.455   1.963  -1.404
  146    HG   SER  19           HG       SER  19  15.463   3.842   0.050
  147    H    CYS  20           HN       CYS  20  15.324   3.931  -4.321
  148    HA   CYS  20           HA       CYS  20  17.227   2.651  -5.916
  149    HB2  CYS  20           HB2      CYS  20  15.338   2.694  -7.130
  150    HB3  CYS  20           HB1      CYS  20  14.734   4.115  -6.296
  151    HG   CYS  20           HG       CYS  20  17.193   4.728  -8.507
  152    H    ASN  21           HN       ASN  21  16.813   6.033  -5.051
  153    HA   ASN  21           HA       ASN  21  18.837   7.048  -6.769
  154    HB2  ASN  21           HB2      ASN  21  17.306   8.114  -4.443
  155    HB3  ASN  21           HB1      ASN  21  18.787   8.939  -4.927
  156   HD21  ASN  21          HD21      ASN  21  15.535   8.117  -5.841
  157   HD22  ASN  21          HD22      ASN  21  15.431   9.208  -7.180
  158    H    SER  22           HN       SER  22  18.801   5.952  -3.404
  159    HA   SER  22           HA       SER  22  21.449   6.549  -2.731
  160    HB2  SER  22           HB2      SER  22  19.796   4.192  -1.806
  161    HB3  SER  22           HB1      SER  22  21.230   4.836  -1.008
  162    HG   SER  22           HG       SER  22  19.716   5.881   0.054
  163    H    GLY  23           HN       GLY  23  20.103   3.991  -4.687
  164    HA2  GLY  23           HA2      GLY  23  21.990   3.314  -6.320
  165    HA3  GLY  23           HA1      GLY  23  22.750   2.719  -4.852
  166    H    LEU  24           HN       LEU  24  19.551   2.290  -4.364
  167    HA   LEU  24           HA       LEU  24  19.713  -0.516  -4.659
  168    HB2  LEU  24           HB2      LEU  24  17.773   1.430  -3.682
  169    HB3  LEU  24           HB1      LEU  24  17.030   0.035  -4.436
  170    HG   LEU  24           HG       LEU  24  17.496   0.011  -1.885
  171   HD11  LEU  24          HD11      LEU  24  17.896  -2.405  -1.950
  172   HD12  LEU  24          HD12      LEU  24  18.272  -2.280  -3.669
  173   HD13  LEU  24          HD13      LEU  24  16.651  -1.893  -3.090
  174   HD21  LEU  24          HD21      LEU  24  20.194  -0.728  -2.996
  175   HD22  LEU  24          HD22      LEU  24  19.685  -0.928  -1.315
  176   HD23  LEU  24          HD23      LEU  24  19.823   0.688  -2.009
  177    H    ALA  25           HN       ALA  25  19.629  -1.597  -6.412
  178    HA   ALA  25           HA       ALA  25  18.755  -0.444  -8.893
  179    HB1  ALA  25           HB1      ALA  25  19.509  -2.489  -9.899
  180    HB2  ALA  25           HB2      ALA  25  19.592  -3.273  -8.323
  181    HB3  ALA  25           HB3      ALA  25  20.692  -1.949  -8.708
  182    H    SER  26           HN       SER  26  17.143  -2.075  -6.434
  183    HA   SER  26           HA       SER  26  15.274  -3.532  -8.001
  184    HB2  SER  26           HB2      SER  26  14.010  -3.652  -5.848
  185    HB3  SER  26           HB1      SER  26  15.667  -4.248  -5.777
  186    HG   SER  26           HG       SER  26  15.624  -2.948  -4.074
  187    H    TYR  27           HN       TYR  27  14.897  -0.541  -6.070
  188    HA   TYR  27           HA       TYR  27  12.299  -0.017  -7.106
  189    HB2  TYR  27           HB2      TYR  27  14.054   2.110  -5.872
  190    HB3  TYR  27           HB1      TYR  27  12.303   1.959  -5.846
  191    HD1  TYR  27           HD2      TYR  27  11.228   0.212  -4.413
  192    HD2  TYR  27           HD1      TYR  27  15.393   1.132  -4.170
  193    HE1  TYR  27           HE2      TYR  27  11.341  -0.911  -2.226
  194    HE2  TYR  27           HE1      TYR  27  15.508  -0.019  -2.000
  195    HH   TYR  27           HH       TYR  27  13.990  -0.601  -0.148
  196    H    CYS  28           HN       CYS  28  15.405   0.453  -8.383
  197    HA   CYS  28           HA       CYS  28  15.024   2.822  -9.863
  198    HB2  CYS  28           HB2      CYS  28  17.235   1.765  -9.440
  199    HB3  CYS  28           HB1      CYS  28  16.790   0.465 -10.538
  200    HG   CYS  28           HG       CYS  28  16.577   3.563 -11.830
  201    H    GLY  29           HN       GLY  29  13.443   3.118 -11.295
  202    HA2  GLY  29           HA2      GLY  29  12.159   2.809 -13.183
  203    HA3  GLY  29           HA1      GLY  29  13.145   1.404 -13.562
  204    H    ALA  30           HN       ALA  30  11.602   1.616 -10.475
  205    HA   ALA  30           HA       ALA  30   9.904  -0.648 -11.246
  206    HB1  ALA  30           HB1      ALA  30   9.803  -1.091  -8.803
  207    HB2  ALA  30           HB2      ALA  30  10.930   0.245  -8.564
  208    HB3  ALA  30           HB3      ALA  30  11.427  -1.174  -9.486
  209    H    ALA  31           HN       ALA  31   7.799  -0.814 -10.350
  210    HA   ALA  31           HA       ALA  31   6.420   1.719  -9.853
  211    HB1  ALA  31           HB1      ALA  31   5.526   0.195 -11.569
  212    HB2  ALA  31           HB2      ALA  31   4.394   0.470 -10.247
  213    HB3  ALA  31           HB3      ALA  31   5.304  -1.043 -10.324
  214    H    ILE  32           HN       ILE  32   6.404   2.249  -7.668
  215    HA   ILE  32           HA       ILE  32   6.373  -0.025  -5.817
  216    HB   ILE  32           HB       ILE  32   8.261   1.581  -5.567
  217   HG12  ILE  32          HG12      ILE  32   6.734   1.941  -3.067
  218   HG13  ILE  32          HG11      ILE  32   6.852   0.286  -3.635
  219   HG21  ILE  32          HG21      ILE  32   7.809   3.762  -4.597
  220   HG22  ILE  32          HG22      ILE  32   6.076   3.464  -4.735
  221   HG23  ILE  32          HG23      ILE  32   7.070   3.584  -6.190
  222   HD11  ILE  32          HD11      ILE  32   9.215   0.322  -3.532
  223   HD12  ILE  32          HD12      ILE  32   8.599   1.011  -2.010
  224   HD13  ILE  32          HD13      ILE  32   9.219   2.078  -3.270
  225    H    TYR  33           HN       TYR  33   4.981  -0.143  -4.096
  226    HA   TYR  33           HA       TYR  33   2.659   1.654  -4.149
  227    HB2  TYR  33           HB2      TYR  33   2.475  -1.360  -4.125
  228    HB3  TYR  33           HB1      TYR  33   1.137  -0.223  -4.142
  229    HD1  TYR  33           HD1      TYR  33   0.658   1.092  -6.170
  230    HD2  TYR  33           HD2      TYR  33   3.602  -1.973  -6.145
  231    HE1  TYR  33           HE1      TYR  33   0.600   1.039  -8.618
  232    HE2  TYR  33           HE2      TYR  33   3.562  -2.039  -8.602
  233    HH   TYR  33           HH       TYR  33   1.923   0.367 -10.483
  234    H    ALA  34           HN       ALA  34   1.372   1.552  -2.222
  235    HA   ALA  34           HA       ALA  34   2.942   0.849   0.148
  236    HB1  ALA  34           HB1      ALA  34   0.221   1.995   0.381
  237    HB2  ALA  34           HB2      ALA  34   1.486   3.021  -0.309
  238    HB3  ALA  34           HB3      ALA  34   1.684   2.339   1.311
  239    H    ARG  35           HN       ARG  35   2.658  -1.076   1.075
  240    HA   ARG  35           HA       ARG  35  -0.079  -2.090   1.102
  241    HB2  ARG  35           HB2      ARG  35   1.761  -3.237  -0.515
  242    HB3  ARG  35           HB1      ARG  35   2.020  -4.168   0.952
  243    HG2  ARG  35           HG2      ARG  35   0.385  -5.235  -0.520
  244    HG3  ARG  35           HG1      ARG  35  -0.336  -4.756   1.019
  245    HD2  ARG  35           HD2      ARG  35  -1.787  -4.202  -0.887
  246    HD3  ARG  35           HD1      ARG  35  -1.275  -2.761  -0.008
  247    HE   ARG  35           HE       ARG  35   0.499  -3.275  -2.134
  248   HH11  ARG  35          HH11      ARG  35  -2.751  -2.119  -1.566
  249   HH12  ARG  35          HH12      ARG  35  -2.784  -1.150  -3.003
  250   HH21  ARG  35          HH21      ARG  35   0.438  -2.000  -4.026
  251   HH22  ARG  35          HH22      ARG  35  -0.977  -1.061  -4.388
  252    H    TYR  36           HN       TYR  36  -0.737  -2.180   3.064
  253    HA   TYR  36           HA       TYR  36   0.995  -2.345   5.347
  254    HB2  TYR  36           HB2      TYR  36  -1.295  -1.230   5.261
  255    HB3  TYR  36           HB1      TYR  36  -1.995  -2.846   5.225
  256    HD1  TYR  36           HD1      TYR  36   0.203  -0.634   7.268
  257    HD2  TYR  36           HD2      TYR  36  -2.410  -3.978   7.168
  258    HE1  TYR  36           HE1      TYR  36   0.226  -0.719   9.716
  259    HE2  TYR  36           HE2      TYR  36  -2.408  -4.092   9.601
  260    HH   TYR  36           HH       TYR  36  -0.996  -3.400  11.478
  261    H    ASP  37           HN       ASP  37   2.160  -4.270   4.816
  262    HA   ASP  37           HA       ASP  37   0.799  -6.747   5.449
  263    HB2  ASP  37           HB2      ASP  37   0.996  -6.167   2.750
  264    HB3  ASP  37           HB1      ASP  37   2.483  -7.061   3.056
  265    H    LYS  38           HN       LYS  38   2.721  -8.562   4.866
  266    HA   LYS  38           HA       LYS  38   4.788  -7.937   6.763
  267    HB2  LYS  38           HB2      LYS  38   4.668 -10.227   4.807
  268    HB3  LYS  38           HB1      LYS  38   5.641 -10.155   6.263
  269    HG2  LYS  38           HG2      LYS  38   3.732 -10.384   7.648
  270    HG3  LYS  38           HG1      LYS  38   2.633 -10.133   6.288
  271    HD2  LYS  38           HD2      LYS  38   4.363 -12.507   6.915
  272    HD3  LYS  38           HD1      LYS  38   2.619 -12.452   6.643
  273    HE2  LYS  38           HE2      LYS  38   3.038 -11.850   4.288
  274    HE3  LYS  38           HE1      LYS  38   4.767 -11.987   4.587
  275    HZ1  LYS  38           HZ1      LYS  38   3.807 -13.973   3.535
  276    HZ2  LYS  38           HZ2      LYS  38   2.838 -14.219   4.906
  277    HZ3  LYS  38           HZ3      LYS  38   4.528 -14.310   5.032
  278    H    GLY  39           HN       GLY  39   7.128  -8.186   6.188
  279    HA2  GLY  39           HA2      GLY  39   7.700  -7.225   3.449
  280    HA3  GLY  39           HA1      GLY  39   8.703  -6.878   4.854
  281    H    ASN  40           HN       ASN  40  10.556  -7.941   4.728
  282    HA   ASN  40           HA       ASN  40  11.025 -10.397   3.439
  283    HB2  ASN  40           HB2      ASN  40  12.859  -8.919   3.977
  284    HB3  ASN  40           HB1      ASN  40  12.472  -8.970   5.696
  285   HD21  ASN  40          HD21      ASN  40  14.454  -9.684   6.347
  286   HD22  ASN  40          HD22      ASN  40  15.066 -11.259   5.978
  287    H    SER  41           HN       SER  41  11.766 -12.421   4.792
  288    HA   SER  41           HA       SER  41   9.517 -13.635   5.783
  289    HB2  SER  41           HB2      SER  41  12.330 -14.330   6.637
  290    HB3  SER  41           HB1      SER  41  10.945 -15.417   6.530
  291    HG   SER  41           HG       SER  41  11.420 -15.714   4.516
  292    H    SER  42           HN       SER  42  12.183 -12.341   7.785
  293    HA   SER  42           HA       SER  42  10.768 -12.852  10.223
  294    HB2  SER  42           HB2      SER  42  13.236 -11.154   9.791
  295    HB3  SER  42           HB1      SER  42  12.685 -11.851  11.316
  296    HG   SER  42           HG       SER  42  12.842 -13.946  10.060
  297    H    GLN  43           HN       GLN  43  10.481 -10.493   7.914
  298    HA   GLN  43           HA       GLN  43   9.700  -8.390   9.786
  299    HB2  GLN  43           HB2      GLN  43  11.216  -7.799   7.900
  300    HB3  GLN  43           HB1      GLN  43   9.944  -8.240   6.772
  301    HG2  GLN  43           HG2      GLN  43  10.093  -5.825   7.076
  302    HG3  GLN  43           HG1      GLN  43   8.537  -6.449   7.611
  303   HE21  GLN  43          HE21      GLN  43   9.894  -3.966   8.301
  304   HE22  GLN  43          HE22      GLN  43  10.057  -3.973  10.022
  305    H    GLN  44           HN       GLN  44   8.200 -10.879   9.332
  306    HA   GLN  44           HA       GLN  44   5.771 -10.365   8.028
  307    HB2  GLN  44           HB2      GLN  44   4.843 -12.096   9.482
  308    HB3  GLN  44           HB1      GLN  44   6.393 -12.570   8.813
  309    HG2  GLN  44           HG2      GLN  44   7.333 -11.660  11.055
  310    HG3  GLN  44           HG1      GLN  44   5.669 -11.833  11.598
  311   HE21  GLN  44          HE21      GLN  44   7.463 -13.961   9.377
  312   HE22  GLN  44          HE22      GLN  44   7.377 -15.348  10.393
  313    H    THR  45           HN       THR  45   3.807 -10.647  10.120
  314    HA   THR  45           HA       THR  45   2.259  -9.249  10.941
  315    HB   THR  45           HB       THR  45   2.877  -7.553  12.631
  316    HG1  THR  45           HG1      THR  45   5.382  -7.930  11.611
  317   HG21  THR  45          HG21      THR  45   2.450  -9.834  13.306
  318   HG22  THR  45          HG22      THR  45   3.724  -9.136  14.304
  319   HG23  THR  45          HG23      THR  45   4.135 -10.264  13.012
  320    H    LYS  46           HN       LYS  46   1.082  -7.691  10.059
  321    HA   LYS  46           HA       LYS  46   2.290  -6.353   7.838
  322    HB2  LYS  46           HB2      LYS  46  -0.487  -5.982   8.909
  323    HB3  LYS  46           HB1      LYS  46   0.089  -5.546   7.319
  324    HG2  LYS  46           HG2      LYS  46   0.658  -8.121   7.209
  325    HG3  LYS  46           HG1      LYS  46  -0.643  -8.194   8.401
  326    HD2  LYS  46           HD2      LYS  46  -2.039  -6.840   6.849
  327    HD3  LYS  46           HD1      LYS  46  -0.756  -6.980   5.655
  328    HE2  LYS  46           HE2      LYS  46  -0.976  -9.508   5.964
  329    HE3  LYS  46           HE1      LYS  46  -2.504  -9.143   6.761
  330    HZ1  LYS  46           HZ1      LYS  46  -1.743  -8.460   3.968
  331    HZ2  LYS  46           HZ2      LYS  46  -3.164  -7.931   4.729
  332    HZ3  LYS  46           HZ3      LYS  46  -2.920  -9.578   4.464
  333    H    GLU  47           HN       GLU  47   3.150  -4.432   7.804
  334    HA   GLU  47           HA       GLU  47   1.898  -2.281   9.334
  335    HB2  GLU  47           HB2      GLU  47   4.892  -2.668   9.222
  336    HB3  GLU  47           HB1      GLU  47   4.060  -1.260   9.883
  337    HG2  GLU  47           HG2      GLU  47   3.036  -2.672  11.592
  338    HG3  GLU  47           HG1      GLU  47   3.841  -4.067  10.906
  339    H    TRP  48           HN       TRP  48   2.177  -0.230   8.298
  340    HA   TRP  48           HA       TRP  48   2.098  -0.346   5.528
  341    HB2  TRP  48           HB2      TRP  48   2.476   1.889   7.472
  342    HB3  TRP  48           HB1      TRP  48   2.635   2.171   5.744
  343    HD1  TRP  48           HD1      TRP  48   0.141   2.394   8.330
  344    HE1  TRP  48           HE1      TRP  48  -2.245   2.353   7.324
  345    HE3  TRP  48           HE3      TRP  48   1.255   0.658   3.673
  346    HZ2  TRP  48           HZ2      TRP  48  -3.478   1.634   4.875
  347    HZ3  TRP  48           HZ3      TRP  48  -0.562   0.318   2.061
  348    HH2  TRP  48           HH2      TRP  48  -2.883   0.787   2.653
  349    H    ARG  49           HN       ARG  49   3.691  -0.877   4.223
  350    HA   ARG  49           HA       ARG  49   6.281   0.406   4.624
  351    HB2  ARG  49           HB2      ARG  49   5.823  -2.547   4.135
  352    HB3  ARG  49           HB1      ARG  49   7.388  -1.758   3.984
  353    HG2  ARG  49           HG2      ARG  49   7.617  -1.462   6.245
  354    HG3  ARG  49           HG1      ARG  49   5.882  -1.484   6.547
  355    HD2  ARG  49           HD2      ARG  49   5.994  -3.938   5.809
  356    HD3  ARG  49           HD1      ARG  49   7.736  -3.782   6.035
  357    HE   ARG  49           HE       ARG  49   6.729  -2.873   8.373
  358   HH11  ARG  49          HH11      ARG  49   6.076  -5.731   6.507
  359   HH12  ARG  49          HH12      ARG  49   5.827  -6.747   7.891
  360   HH21  ARG  49          HH21      ARG  49   6.380  -4.205  10.240
  361   HH22  ARG  49          HH22      ARG  49   5.972  -5.880   9.995
  362    H    CYS  50           HN       CYS  50   7.596   0.248   2.585
  363    HA   CYS  50           HA       CYS  50   5.758   0.669   0.340
  364    HB2  CYS  50           HB2      CYS  50   8.670   1.458   0.668
  365    HB3  CYS  50           HB1      CYS  50   7.615   1.921  -0.674
  366    HG   CYS  50           HG       CYS  50   5.840   3.281   1.196
  367    H    TYR  51           HN       TYR  51   5.626  -0.805  -1.177
  368    HA   TYR  51           HA       TYR  51   7.841  -2.732  -1.519
  369    HB2  TYR  51           HB2      TYR  51   4.871  -3.304  -1.694
  370    HB3  TYR  51           HB1      TYR  51   6.150  -4.480  -1.928
  371    HD1  TYR  51           HD1      TYR  51   7.911  -4.177   0.289
  372    HD2  TYR  51           HD2      TYR  51   3.693  -3.752   0.155
  373    HE1  TYR  51           HE1      TYR  51   7.791  -4.728   2.684
  374    HE2  TYR  51           HE2      TYR  51   3.556  -4.285   2.555
  375    HH   TYR  51           HH       TYR  51   4.956  -5.545   4.225
  376    H    ILE  52           HN       ILE  52   8.593  -2.564  -3.632
  377    HA   ILE  52           HA       ILE  52   6.958  -1.333  -5.623
  378    HB   ILE  52           HB       ILE  52   8.725  -2.121  -7.242
  379   HG12  ILE  52          HG12      ILE  52  10.061  -2.859  -4.721
  380   HG13  ILE  52          HG11      ILE  52   9.531  -4.004  -5.954
  381   HG21  ILE  52          HG21      ILE  52  10.291  -0.441  -6.581
  382   HG22  ILE  52          HG22      ILE  52   9.756  -0.551  -4.900
  383   HG23  ILE  52          HG23      ILE  52   8.676   0.118  -6.134
  384   HD11  ILE  52          HD11      ILE  52  11.961  -3.453  -5.988
  385   HD12  ILE  52          HD12      ILE  52  11.517  -1.796  -6.457
  386   HD13  ILE  52          HD13      ILE  52  11.115  -3.167  -7.510
  387    H    GLU  53           HN       GLU  53   6.170  -2.288  -7.501
  388    HA   GLU  53           HA       GLU  53   4.410  -4.340  -7.144
  389    HB2  GLU  53           HB2      GLU  53   4.308  -2.701  -8.953
  390    HB3  GLU  53           HB1      GLU  53   5.683  -3.461  -9.739
  391    HG2  GLU  53           HG2      GLU  53   4.422  -5.484 -10.068
  392    HG3  GLU  53           HG1      GLU  53   3.052  -4.800  -9.177
  393    H    LYS  54           HN       LYS  54   7.715  -4.472  -7.911
  394    HA   LYS  54           HA       LYS  54   8.100  -6.943  -9.062
  395    HB2  LYS  54           HB2      LYS  54   9.698  -5.260  -7.128
  396    HB3  LYS  54           HB1      LYS  54  10.296  -6.826  -7.631
  397    HG2  LYS  54           HG2      LYS  54  11.342  -5.168  -8.989
  398    HG3  LYS  54           HG1      LYS  54  10.221  -6.075  -9.997
  399    HD2  LYS  54           HD2      LYS  54   9.233  -3.578  -8.719
  400    HD3  LYS  54           HD1      LYS  54  10.365  -3.423 -10.062
  401    HE2  LYS  54           HE2      LYS  54   7.830  -5.045 -10.180
  402    HE3  LYS  54           HE1      LYS  54   7.937  -3.365 -10.693
  403    HZ1  LYS  54           HZ1      LYS  54   9.607  -4.017 -12.326
  404    HZ2  LYS  54           HZ2      LYS  54   8.148  -4.854 -12.560
  405    HZ3  LYS  54           HZ3      LYS  54   9.467  -5.640 -11.843
  406    H    GLU  55           HN       GLU  55   7.584  -6.034  -5.717
  407    HA   GLU  55           HA       GLU  55   8.260  -8.708  -4.809
  408    HB2  GLU  55           HB2      GLU  55   7.787  -6.214  -3.215
  409    HB3  GLU  55           HB1      GLU  55   8.550  -7.689  -2.669
  410    HG2  GLU  55           HG2      GLU  55   9.621  -5.868  -4.806
  411    HG3  GLU  55           HG1      GLU  55  10.164  -5.905  -3.128
  412    H    LEU  56           HN       LEU  56   5.473  -6.580  -5.060
  413    HA   LEU  56           HA       LEU  56   3.827  -7.979  -3.219
  414    HB2  LEU  56           HB2      LEU  56   3.169  -6.183  -5.540
  415    HB3  LEU  56           HB1      LEU  56   1.943  -6.966  -4.590
  416    HG   LEU  56           HG       LEU  56   2.823  -5.737  -2.548
  417   HD11  LEU  56          HD11      LEU  56   5.060  -5.307  -3.473
  418   HD12  LEU  56          HD12      LEU  56   4.245  -3.808  -3.027
  419   HD13  LEU  56          HD13      LEU  56   4.358  -4.281  -4.723
  420   HD21  LEU  56          HD21      LEU  56   1.826  -4.217  -4.978
  421   HD22  LEU  56          HD22      LEU  56   1.873  -3.564  -3.335
  422   HD23  LEU  56          HD23      LEU  56   0.858  -4.960  -3.698
  423    H    ASP  57           HN       ASP  57   1.860  -9.092  -3.911
  424    HA   ASP  57           HA       ASP  57   2.107 -10.484  -6.496
  425    HB2  ASP  57           HB2      ASP  57   2.524 -12.029  -4.564
  426    HB3  ASP  57           HB1      ASP  57   0.906 -11.660  -3.977
  427    H    PHE  58           HN       PHE  58   0.477 -10.003  -7.816
  428    HA   PHE  58           HA       PHE  58  -1.904  -8.753  -6.709
  429    HB2  PHE  58           HB2      PHE  58  -0.770  -9.026  -9.460
  430    HB3  PHE  58           HB1      PHE  58  -2.482  -8.655  -9.258
  431    HD1  PHE  58           HD1      PHE  58   0.915  -7.494  -8.295
  432    HD2  PHE  58           HD2      PHE  58  -3.188  -6.502  -8.816
  433    HE1  PHE  58           HE1      PHE  58   1.467  -5.117  -7.981
  434    HE2  PHE  58           HE2      PHE  58  -2.644  -4.112  -8.518
  435    HZ   PHE  58           HZ       PHE  58  -0.317  -3.421  -8.098
  436    H    SER  59           HN       SER  59  -0.921 -11.823  -7.152
  437    HA   SER  59           HA       SER  59  -3.573 -12.880  -7.691
  438    HB2  SER  59           HB2      SER  59  -1.028 -14.273  -6.919
  439    HB3  SER  59           HB1      SER  59  -2.523 -15.063  -7.386
  440    HG   SER  59           HG       SER  59  -0.593 -13.859  -8.942
  441    H    LYS  60           HN       LYS  60  -1.956 -11.428  -5.305
  442    HA   LYS  60           HA       LYS  60  -3.424 -12.722  -3.133
  443    HB2  LYS  60           HB2      LYS  60  -1.074 -10.847  -3.305
  444    HB3  LYS  60           HB1      LYS  60  -1.997 -10.993  -1.834
  445    HG2  LYS  60           HG2      LYS  60  -0.972 -13.473  -3.042
  446    HG3  LYS  60           HG1      LYS  60   0.191 -12.395  -2.289
  447    HD2  LYS  60           HD2      LYS  60  -0.516 -14.026  -0.679
  448    HD3  LYS  60           HD1      LYS  60  -1.170 -12.456  -0.222
  449    HE2  LYS  60           HE2      LYS  60  -3.332 -13.070  -1.163
  450    HE3  LYS  60           HE1      LYS  60  -2.677 -14.627  -1.672
  451    HZ1  LYS  60           HZ1      LYS  60  -2.316 -15.217   0.625
  452    HZ2  LYS  60           HZ2      LYS  60  -3.938 -14.771   0.406
  453    HZ3  LYS  60           HZ3      LYS  60  -2.853 -13.694   1.143
  454    H    SER  61           HN       SER  61  -5.329 -11.733  -2.576
  455    HA   SER  61           HA       SER  61  -5.813  -9.040  -3.479
  456    HB2  SER  61           HB2      SER  61  -7.925  -9.249  -2.128
  457    HB3  SER  61           HB1      SER  61  -7.742 -10.434  -3.420
  458    HG   SER  61           HG       SER  61  -6.994 -10.964  -0.729
  459    H    GLY  62           HN       GLY  62  -5.267  -7.289  -2.439
  460    HA2  GLY  62           HA2      GLY  62  -3.678  -7.602  -0.055
  461    HA3  GLY  62           HA1      GLY  62  -3.874  -6.137  -1.002
  462    H    ASP  63           HN       ASP  63  -5.016  -8.007   1.644
  463    HA   ASP  63           HA       ASP  63  -7.102  -6.110   2.316
  464    HB2  ASP  63           HB2      ASP  63  -7.375  -7.475   4.336
  465    HB3  ASP  63           HB1      ASP  63  -7.326  -8.507   2.911
  466    H    GLY  64           HN       GLY  64  -4.425  -5.214   1.888
  467    HA2  GLY  64           HA2      GLY  64  -3.802  -4.064   4.532
  468    HA3  GLY  64           HA1      GLY  64  -2.523  -4.721   3.513
  469    H    CYS  65           HN       CYS  65  -5.169  -3.296   1.969
  470    HA   CYS  65           HA       CYS  65  -3.566  -0.940   1.209
  471    HB2  CYS  65           HB2      CYS  65  -6.211  -1.876   0.050
  472    HB3  CYS  65           HB1      CYS  65  -5.036  -0.787  -0.680
  473    HG   CYS  65           HG       CYS  65  -5.366  -3.773  -1.481
  474    H    VAL  66           HN       VAL  66  -4.747   1.112   1.182
  475    HA   VAL  66           HA       VAL  66  -6.905   1.151   3.182
  476    HB   VAL  66           HB       VAL  66  -5.198   2.410   4.147
  477   HG11  VAL  66          HG11      VAL  66  -3.876   4.089   2.940
  478   HG12  VAL  66          HG12      VAL  66  -4.728   3.663   1.449
  479   HG13  VAL  66          HG13      VAL  66  -3.699   2.470   2.255
  480   HG21  VAL  66          HG21      VAL  66  -6.625   4.586   2.673
  481   HG22  VAL  66          HG22      VAL  66  -6.019   4.586   4.341
  482   HG23  VAL  66          HG23      VAL  66  -7.425   3.602   3.902
  483    H    ASP  67           HN       ASP  67  -8.651   2.451   2.779
  484    HA   ASP  67           HA       ASP  67  -9.265   2.683  -0.050
  485    HB2  ASP  67           HB2      ASP  67 -10.788   1.602   1.681
  486    HB3  ASP  67           HB1      ASP  67 -11.078   3.229   2.295
  487    H    ASP  68           HN       ASP  68 -11.223   4.914   0.425
  488    HA   ASP  68           HA       ASP  68  -9.332   7.051   0.050
  489    HB2  ASP  68           HB2      ASP  68 -11.334   8.585   0.093
  490    HB3  ASP  68           HB1      ASP  68 -11.360   7.351  -1.152
  491    H    CYS  69           HN       CYS  69 -11.298   5.940   2.735
  492    HA   CYS  69           HA       CYS  69 -10.029   7.947   4.450
  493    HB2  CYS  69           HB2      CYS  69 -12.020   5.770   5.165
  494    HB3  CYS  69           HB1      CYS  69 -11.566   7.152   6.141
  495    HG   CYS  69           HG       CYS  69 -13.168   7.434   3.148
  496    H    GLY  70           HN       GLY  70  -8.967   7.065   6.469
  497    HA2  GLY  70           HA2      GLY  70  -7.121   5.004   5.658
  498    HA3  GLY  70           HA1      GLY  70  -7.087   5.906   7.168
  499    H    SER  71           HN       SER  71  -9.013   3.497   5.484
  500    HA   SER  71           HA       SER  71  -8.830   1.754   7.822
  501    HB2  SER  71           HB2      SER  71 -11.094   2.843   7.764
  502    HB3  SER  71           HB1      SER  71 -11.345   2.130   6.172
  503    HG   SER  71           HG       SER  71 -12.268   0.844   7.803
  504    H    MET  72           HN       MET  72  -8.347  -0.361   7.203
  505    HA   MET  72           HA       MET  72  -7.207  -0.540   4.659
  506    HB2  MET  72           HB2      MET  72  -6.718  -2.909   5.227
  507    HB3  MET  72           HB1      MET  72  -6.103  -1.699   6.349
  508    HG2  MET  72           HG2      MET  72  -7.641  -2.195   7.946
  509    HG3  MET  72           HG1      MET  72  -8.741  -2.925   6.787
  510    HE1  MET  72           HE1      MET  72  -4.870  -3.573   7.175
  511    HE2  MET  72           HE2      MET  72  -4.863  -4.929   8.303
  512    HE3  MET  72           HE3      MET  72  -5.425  -3.344   8.835
  513    H    THR  73           HN       THR  73  -8.014  -0.934   2.821
  514    HA   THR  73           HA       THR  73 -10.503  -2.461   2.598
  515    HB   THR  73           HB       THR  73 -10.529  -0.125   1.690
  516    HG1  THR  73           HG1      THR  73 -11.548  -2.257   0.670
  517   HG21  THR  73          HG21      THR  73  -8.562  -1.240  -0.318
  518   HG22  THR  73          HG22      THR  73  -8.193  -0.047   0.928
  519   HG23  THR  73          HG23      THR  73  -9.318   0.355  -0.372
  520    H    SER  74           HN       SER  74 -10.592  -4.121   0.948
  521    HA   SER  74           HA       SER  74  -7.999  -5.312   0.538
  522    HB2  SER  74           HB2      SER  74  -9.446  -7.236  -0.343
  523    HB3  SER  74           HB1      SER  74  -9.600  -6.825   1.362
  524    HG   SER  74           HG       SER  74 -11.558  -6.050   1.039
  525    H    CYS  75           HN       CYS  75  -6.894  -4.906  -1.183
  526    HA   CYS  75           HA       CYS  75  -8.156  -4.745  -3.825
  527    HB2  CYS  75           HB2      CYS  75  -7.996  -2.418  -3.124
  528    HB3  CYS  75           HB1      CYS  75  -6.314  -2.645  -2.679
  529    HG   CYS  75           HG       CYS  75  -7.590  -2.677  -5.850
  530    H    ARG  76           HN       ARG  76  -6.794  -5.528  -5.486
  531    HA   ARG  76           HA       ARG  76  -5.095  -7.552  -4.508
  532    HB2  ARG  76           HB2      ARG  76  -5.852  -6.653  -7.238
  533    HB3  ARG  76           HB1      ARG  76  -4.538  -7.795  -7.033
  534    HG2  ARG  76           HG2      ARG  76  -6.352  -9.178  -7.294
  535    HG3  ARG  76           HG1      ARG  76  -6.181  -9.083  -5.549
  536    HD2  ARG  76           HD2      ARG  76  -8.242  -8.348  -5.393
  537    HD3  ARG  76           HD1      ARG  76  -7.770  -6.925  -6.318
  538    HE   ARG  76           HE       ARG  76  -8.245  -8.914  -8.173
  539   HH11  ARG  76          HH11      ARG  76 -10.091  -7.202  -5.728
  540   HH12  ARG  76          HH12      ARG  76 -11.611  -7.424  -6.543
  541   HH21  ARG  76          HH21      ARG  76 -10.220  -9.191  -9.244
  542   HH22  ARG  76          HH22      ARG  76 -11.689  -8.555  -8.553
  543    H    GLY  77           HN       GLY  77  -3.198  -7.499  -3.848
  544    HA2  GLY  77           HA2      GLY  77  -0.873  -7.046  -4.983
  545    HA3  GLY  77           HA1      GLY  77  -1.309  -5.393  -4.560
  546    H    SER  78           HN       SER  78   0.212  -8.158  -3.430
  547    HA   SER  78           HA       SER  78   0.601  -6.980  -0.862
  548    HB2  SER  78           HB2      SER  78  -1.631  -8.776  -1.197
  549    HB3  SER  78           HB1      SER  78  -0.473  -9.464  -0.063
  550    HG   SER  78           HG       SER  78  -0.947  -7.942   1.352
  551    H    VAL  79           HN       VAL  79   2.038  -8.008   0.455
  552    HA   VAL  79           HA       VAL  79   4.009  -9.460  -0.987
  553    HB   VAL  79           HB       VAL  79   3.907  -8.539   1.868
  554   HG11  VAL  79          HG11      VAL  79   5.397 -10.505   1.561
  555   HG12  VAL  79          HG12      VAL  79   6.249  -9.039   2.045
  556   HG13  VAL  79          HG13      VAL  79   6.300  -9.571   0.364
  557   HG21  VAL  79          HG21      VAL  79   3.955  -6.737   0.226
  558   HG22  VAL  79          HG22      VAL  79   5.390  -7.456  -0.519
  559   HG23  VAL  79          HG23      VAL  79   5.473  -6.819   1.124
  560    H    SER  80           HN       SER  80   3.327 -11.509  -1.414
  561    HA   SER  80           HA       SER  80   2.041 -13.184   0.489
  562    HB2  SER  80           HB2      SER  80   2.566 -14.971  -1.239
  563    HB3  SER  80           HB1      SER  80   1.625 -13.599  -1.822
  564    HG   SER  80           HG       SER  80   3.392 -14.220  -3.215
  565    H    GLY  81           HN       GLY  81   5.159 -13.686  -1.130
  566    HA2  GLY  81           HA2      GLY  81   6.230 -14.833   1.350
  567    HA3  GLY  81           HA1      GLY  81   6.952 -14.991  -0.249
  568    HA   PRO  82           HA       PRO  82   9.130 -11.763   2.526
  569    HB2  PRO  82           HB2      PRO  82  11.548 -12.672   1.569
  570    HB3  PRO  82           HB1      PRO  82  10.846 -13.060   3.132
  571    HG2  PRO  82           HG2      PRO  82  10.761 -14.627   0.582
  572    HG3  PRO  82           HG1      PRO  82  10.970 -15.197   2.251
  573    HD2  PRO  82           HD2      PRO  82   8.634 -15.461   1.048
  574    HD3  PRO  82           HD1      PRO  82   8.699 -14.916   2.742
  575    H    SER  83           HN       SER  83   9.048  -9.841   1.595
  576    HA   SER  83           HA       SER  83   9.907  -9.530  -1.187
  577    HB2  SER  83           HB2      SER  83   8.354  -7.714   0.662
  578    HB3  SER  83           HB1      SER  83   8.895  -7.236  -0.943
  579    HG   SER  83           HG       SER  83   7.520  -9.646  -0.744
  580    H    THR  84           HN       THR  84  11.786  -8.653  -1.687
  581    HA   THR  84           HA       THR  84  13.531  -7.771   0.429
  582    HB   THR  84           HB       THR  84  14.932  -7.287  -1.855
  583    HG1  THR  84           HG1      THR  84  12.924  -8.414  -2.863
  584   HG21  THR  84          HG21      THR  84  15.708  -8.526   0.095
  585   HG22  THR  84          HG22      THR  84  16.017  -9.462  -1.368
  586   HG23  THR  84          HG23      THR  84  14.661  -9.881  -0.318
  587    H    SER  85           HN       SER  85  12.304  -6.274  -2.622
  588    HA   SER  85           HA       SER  85  13.198  -3.690  -1.900
  589    HB2  SER  85           HB2      SER  85  12.478  -3.493  -4.095
  590    HB3  SER  85           HB1      SER  85  11.181  -4.667  -3.904
  591    HG   SER  85           HG       SER  85  10.227  -2.973  -2.475
  592    H    HIS  86           HN       HIS  86  12.617  -2.787   0.028
  593    HA   HIS  86           HA       HIS  86   9.960  -2.005   0.340
  594    HB2  HIS  86           HB2      HIS  86   9.129  -3.305   2.091
  595    HB3  HIS  86           HB1      HIS  86   9.757  -4.445   0.917
  596    HD1  HIS  86           HD1      HIS  86  12.362  -5.254   1.538
  597    HD2  HIS  86           HD2      HIS  86   9.951  -3.859   4.624
  598    HE1  HIS  86           HE1      HIS  86  13.399  -6.122   3.651
  599    HE2  HIS  86           HE2      HIS  86  12.080  -5.033   5.502
  600    H    LEU  87           HN       LEU  87   9.752  -0.356   1.631
  601    HA   LEU  87           HA       LEU  87  11.849   0.166   3.634
  602    HB2  LEU  87           HB2      LEU  87  10.191   2.094   2.006
  603    HB3  LEU  87           HB1      LEU  87  11.114   2.587   3.408
  604    HG   LEU  87           HG       LEU  87  13.061   1.383   1.989
  605   HD11  LEU  87          HD11      LEU  87  11.171   2.497  -0.065
  606   HD12  LEU  87          HD12      LEU  87  11.603   0.800   0.147
  607   HD13  LEU  87          HD13      LEU  87  12.826   1.964  -0.361
  608   HD21  LEU  87          HD21      LEU  87  13.755   3.594   1.300
  609   HD22  LEU  87          HD22      LEU  87  13.081   3.651   2.930
  610   HD23  LEU  87          HD23      LEU  87  12.122   4.210   1.560
  611    H    THR  88           HN       THR  88  11.115  -0.012   5.682
  612    HA   THR  88           HA       THR  88   8.264  -0.158   6.154
  613    HB   THR  88           HB       THR  88  10.382  -0.062   8.284
  614    HG1  THR  88           HG1      THR  88  11.049  -1.935   7.549
  615   HG21  THR  88          HG21      THR  88   7.604  -1.169   8.172
  616   HG22  THR  88          HG22      THR  88   8.180   0.179   9.153
  617   HG23  THR  88          HG23      THR  88   8.726  -1.468   9.496
  618    H    ARG  89           HN       ARG  89   7.526   1.906   5.609
  619    HA   ARG  89           HA       ARG  89   8.156   3.890   7.699
  620    HB2  ARG  89           HB2      ARG  89   7.067   4.494   4.948
  621    HB3  ARG  89           HB1      ARG  89   7.677   5.640   6.127
  622    HG2  ARG  89           HG2      ARG  89   9.500   3.550   5.066
  623    HG3  ARG  89           HG1      ARG  89   9.114   4.951   4.072
  624    HD2  ARG  89           HD2      ARG  89   9.761   6.343   6.115
  625    HD3  ARG  89           HD1      ARG  89  10.479   4.859   6.736
  626    HE   ARG  89           HE       ARG  89  11.420   5.317   4.129
  627   HH11  ARG  89          HH11      ARG  89  11.753   6.514   7.399
  628   HH12  ARG  89          HH12      ARG  89  13.278   7.287   7.098
  629   HH21  ARG  89          HH21      ARG  89  13.450   6.343   3.725
  630   HH22  ARG  89          HH22      ARG  89  14.249   7.185   5.018
  631    HA   PRO  90           HA       PRO  90   3.709   2.539   7.770
  632    HB2  PRO  90           HB2      PRO  90   4.001   1.784  10.511
  633    HB3  PRO  90           HB1      PRO  90   3.622   0.753   9.149
  634    HG2  PRO  90           HG2      PRO  90   5.986   0.647  10.556
  635    HG3  PRO  90           HG1      PRO  90   5.774   0.095   8.890
  636    HD2  PRO  90           HD2      PRO  90   7.003   2.597   9.902
  637    HD3  PRO  90           HD1      PRO  90   7.410   1.627   8.493
  638    H    SER  91           HN       SER  91   5.721   4.338   9.903
  639    HA   SER  91           HA       SER  91   3.719   5.853  11.212
  640    HB2  SER  91           HB2      SER  91   5.898   7.452  11.250
  641    HB3  SER  91           HB1      SER  91   5.716   6.058  12.323
  642    HG   SER  91           HG       SER  91   7.609   6.471  10.540
  643    H    GLU  92           HN       GLU  92   5.504   6.157   8.212
  644    HA   GLU  92           HA       GLU  92   4.553   8.874   7.823
  645    HB2  GLU  92           HB2      GLU  92   6.958   8.025   7.454
  646    HB3  GLU  92           HB1      GLU  92   6.341   7.380   5.936
  647    HG2  GLU  92           HG2      GLU  92   7.369   9.533   5.591
  648    HG3  GLU  92           HG1      GLU  92   5.638   9.629   5.271
  649    H    LEU  93           HN       LEU  93   4.083   5.644   6.420
  650    HA   LEU  93           HA       LEU  93   2.508   6.495   4.224
  651    HB2  LEU  93           HB2      LEU  93   2.751   3.942   5.730
  652    HB3  LEU  93           HB1      LEU  93   1.317   4.168   4.764
  653    HG   LEU  93           HG       LEU  93   2.837   2.922   3.453
  654   HD11  LEU  93          HD11      LEU  93   2.940   5.798   2.560
  655   HD12  LEU  93          HD12      LEU  93   1.640   4.650   2.243
  656   HD13  LEU  93          HD13      LEU  93   3.238   4.389   1.541
  657   HD21  LEU  93          HD21      LEU  93   5.104   3.636   2.923
  658   HD22  LEU  93          HD22      LEU  93   4.902   3.433   4.664
  659   HD23  LEU  93          HD23      LEU  93   4.917   5.050   3.962
  660    H    GLN  94           HN       GLN  94   1.610   5.600   7.546
  661    HA   GLN  94           HA       GLN  94  -1.184   6.034   7.099
  662    HB2  GLN  94           HB2      GLN  94   0.406   4.929   9.136
  663    HB3  GLN  94           HB1      GLN  94  -0.403   6.302   9.871
  664    HG2  GLN  94           HG2      GLN  94  -1.799   4.116   8.346
  665    HG3  GLN  94           HG1      GLN  94  -1.634   4.162  10.099
  666   HE21  GLN  94          HE21      GLN  94  -3.950   4.288   8.175
  667   HE22  GLN  94          HE22      GLN  94  -4.867   5.653   8.698
  668    H    ALA  95           HN       ALA  95   1.488   8.003   7.650
  669    HA   ALA  95           HA       ALA  95   0.266  10.271   8.801
  670    HB1  ALA  95           HB1      ALA  95   2.582  10.308   6.914
  671    HB2  ALA  95           HB2      ALA  95   2.731   9.792   8.598
  672    HB3  ALA  95           HB3      ALA  95   2.210  11.439   8.219
  673    H    VAL  96           HN       VAL  96   0.917   9.331   5.429
  674    HA   VAL  96           HA       VAL  96  -0.349  11.692   4.448
  675    HB   VAL  96           HB       VAL  96   0.861  11.244   2.634
  676   HG11  VAL  96          HG11      VAL  96   1.205   8.397   3.530
  677   HG12  VAL  96          HG12      VAL  96   2.239   9.747   4.003
  678   HG13  VAL  96          HG13      VAL  96   2.159   9.246   2.304
  679   HG21  VAL  96          HG21      VAL  96  -0.911   8.835   2.288
  680   HG22  VAL  96          HG22      VAL  96   0.082   9.577   1.029
  681   HG23  VAL  96          HG23      VAL  96  -1.272  10.477   1.734
  682    H    ILE  97           HN       ILE  97  -1.281   8.438   5.244
  683    HA   ILE  97           HA       ILE  97  -3.830   8.457   4.092
  684    HB   ILE  97           HB       ILE  97  -2.703   7.226   6.575
  685   HG12  ILE  97          HG12      ILE  97  -4.095   5.707   4.448
  686   HG13  ILE  97          HG11      ILE  97  -2.561   6.457   4.016
  687   HG21  ILE  97          HG21      ILE  97  -4.981   7.849   7.128
  688   HG22  ILE  97          HG22      ILE  97  -4.815   6.101   6.966
  689   HG23  ILE  97          HG23      ILE  97  -5.564   7.042   5.673
  690   HD11  ILE  97          HD11      ILE  97  -2.908   4.680   6.404
  691   HD12  ILE  97          HD12      ILE  97  -1.401   5.238   5.666
  692   HD13  ILE  97          HD13      ILE  97  -2.436   4.093   4.811
  693    H    ASP  98           HN       ASP  98  -2.881   9.296   7.388
  694    HA   ASP  98           HA       ASP  98  -5.123  10.699   8.184
  695    HB2  ASP  98           HB2      ASP  98  -3.414  10.145   9.758
  696    HB3  ASP  98           HB1      ASP  98  -2.200  11.052   8.864
  697    H    SER  99           HN       SER  99  -2.336  11.917   6.347
  698    HA   SER  99           HA       SER  99  -3.234  14.646   6.452
  699    HB2  SER  99           HB2      SER  99  -0.877  14.183   6.426
  700    HB3  SER  99           HB1      SER  99  -1.008  13.323   4.893
  701    HG   SER  99           HG       SER  99  -0.680  15.184   3.994
  702    H    ASP 100           HN       ASP 100  -2.759  12.368   3.701
  703    HA   ASP 100           HA       ASP 100  -4.009  14.097   1.852
  704    HB2  ASP 100           HB2      ASP 100  -2.831  11.453   1.810
  705    HB3  ASP 100           HB1      ASP 100  -4.029  11.731   0.626
  706    H    LYS 101           HN       LYS 101  -5.347  11.961   4.164
  707    HA   LYS 101           HA       LYS 101  -7.794  11.246   3.077
  708    HB2  LYS 101           HB2      LYS 101  -6.711  11.743   5.696
  709    HB3  LYS 101           HB1      LYS 101  -8.364  12.349   5.602
  710    HG2  LYS 101           HG2      LYS 101  -9.232  10.300   5.556
  711    HG3  LYS 101           HG1      LYS 101  -7.967   9.656   4.508
  712    HD2  LYS 101           HD2      LYS 101  -7.866   8.599   6.685
  713    HD3  LYS 101           HD1      LYS 101  -6.462   9.632   6.453
  714    HE2  LYS 101           HE2      LYS 101  -7.201  10.055   8.644
  715    HE3  LYS 101           HE1      LYS 101  -7.738  11.419   7.664
  716    HZ1  LYS 101           HZ1      LYS 101  -9.407  10.498   9.263
  717    HZ2  LYS 101           HZ2      LYS 101  -9.495   9.123   8.275
  718    HZ3  LYS 101           HZ3      LYS 101  -9.929  10.644   7.657
  719    H    SER 102           HN       SER 102  -6.585  14.431   3.915
  720    HA   SER 102           HA       SER 102  -9.042  15.837   3.696
  721    HB2  SER 102           HB2      SER 102  -7.007  16.789   4.754
  722    HB3  SER 102           HB1      SER 102  -6.221  16.821   3.177
  723    HG   SER 102           HG       SER 102  -7.054  18.750   3.085
  724    H    ASN 103           HN       ASN 103  -6.674  14.672   1.436
  725    HA   ASN 103           HA       ASN 103  -7.819  16.011  -0.848
  726    HB2  ASN 103           HB2      ASN 103  -5.323  15.188  -0.432
  727    HB3  ASN 103           HB1      ASN 103  -5.956  13.700  -1.123
  728   HD21  ASN 103          HD21      ASN 103  -4.588  13.933  -2.917
  729   HD22  ASN 103          HD22      ASN 103  -4.927  15.080  -4.169
  730    H    TYR 104           HN       TYR 104  -7.961  12.883   0.726
  731    HA   TYR 104           HA       TYR 104 -10.329  12.240  -0.865
  732    HB2  TYR 104           HB2      TYR 104  -8.724   9.859  -0.401
  733    HB3  TYR 104           HB1      TYR 104  -9.503  10.399  -1.881
  734    HD1  TYR 104           HD2      TYR 104  -6.462  10.919   0.219
  735    HD2  TYR 104           HD1      TYR 104  -8.226  11.167  -3.645
  736    HE1  TYR 104           HE2      TYR 104  -4.260  11.417  -0.748
  737    HE2  TYR 104           HE1      TYR 104  -6.049  11.633  -4.647
  738    HH   TYR 104           HH       TYR 104  -3.092  11.528  -2.713
  739    H    CYS 105           HN       CYS 105 -11.740  12.075   0.721
  740    HA   CYS 105           HA       CYS 105 -11.685   9.698   2.243
  741    HB2  CYS 105           HB2      CYS 105 -10.606  10.760   3.980
  742    HB3  CYS 105           HB1      CYS 105 -11.311  12.329   3.619
  743    HG   CYS 105           HG       CYS 105 -13.371   9.882   4.757
  744    H    THR 106           HN       THR 106 -13.718   8.920   2.185
  745    HA   THR 106           HA       THR 106 -15.855  10.857   1.704
  746    HB   THR 106           HB       THR 106 -17.250   8.910   1.074
  747    HG1  THR 106           HG1      THR 106 -14.804   7.442   1.355
  748   HG21  THR 106          HG21      THR 106 -16.170   8.481  -1.047
  749   HG22  THR 106          HG22      THR 106 -14.631   9.058  -0.407
  750   HG23  THR 106          HG23      THR 106 -15.980  10.177  -0.599
  751    H    ASP 107           HN       ASP 107 -17.932  10.538   2.854
  752    HA   ASP 107           HA       ASP 107 -17.541   9.927   5.622
  753    HB2  ASP 107           HB2      ASP 107 -19.825  10.499   5.939
  754    HB3  ASP 107           HB1      ASP 107 -19.235  11.582   4.684
  755    H    LYS 108           HN       LYS 108 -18.761   8.266   2.815
  756    HA   LYS 108           HA       LYS 108 -18.149   5.721   3.776
  757    HB2  LYS 108           HB2      LYS 108 -20.071   6.035   5.257
  758    HB3  LYS 108           HB1      LYS 108 -21.083   6.381   3.871
  759    HG2  LYS 108           HG2      LYS 108 -21.371   4.097   4.795
  760    HG3  LYS 108           HG1      LYS 108 -20.926   4.136   3.090
  761    HD2  LYS 108           HD2      LYS 108 -18.776   3.357   3.498
  762    HD3  LYS 108           HD1      LYS 108 -18.810   3.863   5.192
  763    HE2  LYS 108           HE2      LYS 108 -20.551   1.677   4.073
  764    HE3  LYS 108           HE1      LYS 108 -18.962   1.380   4.774
  765    HZ1  LYS 108           HZ1      LYS 108 -20.848   1.059   6.330
  766    HZ2  LYS 108           HZ2      LYS 108 -21.181   2.716   6.226
  767    HZ3  LYS 108           HZ3      LYS 108 -19.707   2.188   6.867
  768    H    SER 109           HN       SER 109 -17.214   5.766   1.682
  769    HA   SER 109           HA       SER 109 -18.933   5.815  -0.633
  770    HB2  SER 109           HB2      SER 109 -16.858   5.177  -1.861
  771    HB3  SER 109           HB1      SER 109 -16.646   6.612  -0.858
  772    HG   SER 109           HG       SER 109 -14.982   5.526  -0.134
  773    H    GLU 110           HN       GLU 110 -18.442   3.680   1.744
  774    HA   GLU 110           HA       GLU 110 -18.844   1.506   2.132
  775    HB2  GLU 110           HB2      GLU 110 -20.850   1.977   0.630
  776    HB3  GLU 110           HB1      GLU 110 -19.914   1.291  -0.690
  777    HG2  GLU 110           HG2      GLU 110 -21.438  -0.348   0.232
  778    HG3  GLU 110           HG1      GLU 110 -19.763  -0.828   0.505
  779    H    GLN 111           HN       GLN 111 -16.519   1.393   2.157
  780    HA   GLN 111           HA       GLN 111 -14.982   0.729  -0.130
  781    HB2  GLN 111           HB2      GLN 111 -13.150   0.422   1.408
  782    HB3  GLN 111           HB1      GLN 111 -14.087   1.813   1.930
  783    HG2  GLN 111           HG2      GLN 111 -15.103   0.566   3.689
  784    HG3  GLN 111           HG1      GLN 111 -14.399  -0.937   3.100
  785   HE21  GLN 111          HE21      GLN 111 -11.841   0.362   2.498
  786   HE22  GLN 111          HE22      GLN 111 -11.058   0.585   4.024
  787    H    GLN 112           HN       GLN 112 -13.921  -1.252  -0.595
  788    HA   GLN 112           HA       GLN 112 -15.594  -3.553  -0.217
  789    HB2  GLN 112           HB2      GLN 112 -12.856  -3.375  -1.494
  790    HB3  GLN 112           HB1      GLN 112 -14.002  -4.698  -1.664
  791    HG2  GLN 112           HG2      GLN 112 -15.568  -3.187  -2.788
  792    HG3  GLN 112           HG1      GLN 112 -14.395  -1.878  -2.642
  793   HE21  GLN 112          HE21      GLN 112 -15.227  -4.816  -4.275
  794   HE22  GLN 112          HE22      GLN 112 -14.043  -4.687  -5.532
  795    HA   PRO 113           HA       PRO 113 -13.346  -4.632   3.512
  796    HB2  PRO 113           HB2      PRO 113 -15.392  -6.589   4.027
  797    HB3  PRO 113           HB1      PRO 113 -15.128  -5.043   4.835
  798    HG2  PRO 113           HG2      PRO 113 -17.295  -5.607   3.240
  799    HG3  PRO 113           HG1      PRO 113 -16.684  -3.975   3.558
  800    HD2  PRO 113           HD2      PRO 113 -16.261  -5.725   1.168
  801    HD3  PRO 113           HD1      PRO 113 -16.521  -3.968   1.250
  802    H    SER 114           HN       SER 114 -15.103  -7.412   2.138
  803    HA   SER 114           HA       SER 114 -12.578  -8.916   2.238
  804    HB2  SER 114           HB2      SER 114 -15.389 -10.032   2.323
  805    HB3  SER 114           HB1      SER 114 -13.887 -10.904   2.628
  806    HG   SER 114           HG       SER 114 -13.655  -9.128   4.352
  807    H    GLN 115           HN       GLN 115 -12.279  -7.804   0.084
  808    HA   GLN 115           HA       GLN 115 -11.919  -8.068  -2.136
  809    HB2  GLN 115           HB2      GLN 115 -13.382 -10.695  -1.821
  810    HB3  GLN 115           HB1      GLN 115 -12.541 -10.178  -3.274
  811    HG2  GLN 115           HG2      GLN 115 -10.432 -10.128  -2.023
  812    HG3  GLN 115           HG1      GLN 115 -11.287 -10.677  -0.582
  813   HE21  GLN 115          HE21      GLN 115  -9.096 -11.947  -2.010
  814   HE22  GLN 115          HE22      GLN 115  -9.679 -13.501  -2.501
  815    H    ALA 116           HN       ALA 116 -15.159  -9.447  -1.598
  816    HA   ALA 116           HA       ALA 116 -16.199  -7.541  -3.589
  817    HB1  ALA 116           HB1      ALA 116 -17.267 -10.266  -2.845
  818    HB2  ALA 116           HB2      ALA 116 -16.376  -9.869  -4.315
  819    HB3  ALA 116           HB3      ALA 116 -17.972  -9.172  -4.035
  820    H    THR 117           HN       THR 117 -17.636  -6.106  -2.929
  821    HA   THR 117           HA       THR 117 -18.434  -6.019  -0.178
  822    HB   THR 117           HB       THR 117 -19.329  -4.217  -2.435
  823    HG1  THR 117           HG1      THR 117 -17.604  -2.862  -1.530
  824   HG21  THR 117          HG21      THR 117 -19.750  -2.597  -0.643
  825   HG22  THR 117          HG22      THR 117 -19.272  -3.797   0.558
  826   HG23  THR 117          HG23      THR 117 -20.716  -4.056  -0.419
  827    HA   PRO 118           HA       PRO 118 -22.870  -6.711  -1.877
  828    HB2  PRO 118           HB2      PRO 118 -23.231  -7.520  -4.432
  829    HB3  PRO 118           HB1      PRO 118 -23.137  -5.814  -3.979
  830    HG2  PRO 118           HG2      PRO 118 -21.029  -7.583  -5.150
  831    HG3  PRO 118           HG1      PRO 118 -21.435  -5.906  -5.556
  832    HD2  PRO 118           HD2      PRO 118 -19.341  -6.586  -3.954
  833    HD3  PRO 118           HD1      PRO 118 -20.227  -5.058  -3.794
  834    HA   PRO 119           HA       PRO 119 -22.076 -11.060  -1.009
  835    HB2  PRO 119           HB2      PRO 119 -24.536 -11.547   0.068
  836    HB3  PRO 119           HB1      PRO 119 -23.212 -10.795   0.962
  837    HG2  PRO 119           HG2      PRO 119 -25.551  -9.515  -0.389
  838    HG3  PRO 119           HG1      PRO 119 -24.831  -9.149   1.189
  839    HD2  PRO 119           HD2      PRO 119 -24.337  -7.646  -0.994
  840    HD3  PRO 119           HD1      PRO 119 -23.108  -7.921   0.259
  841    HA   PRO 120           HA       PRO 120 -23.841 -12.647  -4.759
  842    HB2  PRO 120           HB2      PRO 120 -22.864 -15.249  -3.805
  843    HB3  PRO 120           HB1      PRO 120 -22.385 -14.326  -5.231
  844    HG2  PRO 120           HG2      PRO 120 -20.754 -14.595  -3.117
  845    HG3  PRO 120           HG1      PRO 120 -20.807 -13.102  -4.074
  846    HD2  PRO 120           HD2      PRO 120 -22.090 -13.703  -1.431
  847    HD3  PRO 120           HD1      PRO 120 -21.223 -12.242  -1.954
  848    H    GLU 121           HN       GLU 121 -24.206 -14.661  -1.822
  849    HA   GLU 121           HA       GLU 121 -27.026 -15.045  -2.531
  850    HB2  GLU 121           HB2      GLU 121 -25.007 -17.193  -1.951
  851    HB3  GLU 121           HB1      GLU 121 -26.711 -17.447  -1.608
  852    HG2  GLU 121           HG2      GLU 121 -25.520 -16.804  -4.297
  853    HG3  GLU 121           HG1      GLU 121 -26.098 -18.380  -3.758
  854    H    ILE 122           HN       ILE 122 -28.393 -14.844  -0.865
  855    HA   ILE 122           HA       ILE 122 -27.337 -15.192   1.857
  856    HB   ILE 122           HB       ILE 122 -28.947 -13.329   2.556
  857   HG12  ILE 122          HG12      ILE 122 -28.641 -12.593  -0.367
  858   HG13  ILE 122          HG11      ILE 122 -30.129 -13.155   0.389
  859   HG21  ILE 122          HG21      ILE 122 -26.544 -13.104   2.695
  860   HG22  ILE 122          HG22      ILE 122 -27.259 -11.589   2.139
  861   HG23  ILE 122          HG23      ILE 122 -26.460 -12.662   0.990
  862   HD11  ILE 122          HD11      ILE 122 -30.152 -11.184   1.815
  863   HD12  ILE 122          HD12      ILE 122 -30.124 -10.745   0.107
  864   HD13  ILE 122          HD13      ILE 122 -28.653 -10.623   1.074
  865    HA   PRO 123           HA       PRO 123 -31.218 -17.647   1.217
  866    HB2  PRO 123           HB2      PRO 123 -29.783 -19.919   2.287
  867    HB3  PRO 123           HB1      PRO 123 -30.456 -19.708   0.670
  868    HG2  PRO 123           HG2      PRO 123 -27.776 -19.820   1.202
  869    HG3  PRO 123           HG1      PRO 123 -28.471 -18.982  -0.197
  870    HD2  PRO 123           HD2      PRO 123 -27.515 -17.853   2.408
  871    HD3  PRO 123           HD1      PRO 123 -27.322 -17.212   0.760
  Start of MODEL    6
    1    H1   ALA   1           HT1      ALA   1  -1.571  12.345  -7.471
    2    H2   ALA   1           HT2      ALA   1  -0.493  11.766  -6.297
    3    H3   ALA   1           HT3      ALA   1  -1.815  12.728  -5.836
    4    HA   ALA   1           HA       ALA   1  -2.042  10.063  -7.110
    5    HB1  ALA   1           HB1      ALA   1  -2.533   9.153  -4.971
    6    HB2  ALA   1           HB2      ALA   1  -2.437  10.746  -4.211
    7    HB3  ALA   1           HB3      ALA   1  -0.983   9.992  -4.870
    8    HA   PRO   2           HA       PRO   2  -6.262  11.309  -7.665
    9    HB2  PRO   2           HB2      PRO   2  -6.730   8.474  -8.160
   10    HB3  PRO   2           HB1      PRO   2  -6.882   9.838  -9.255
   11    HG2  PRO   2           HG2      PRO   2  -4.905   8.072  -9.570
   12    HG3  PRO   2           HG1      PRO   2  -4.611   9.808  -9.811
   13    HD2  PRO   2           HD2      PRO   2  -4.085   8.165  -7.352
   14    HD3  PRO   2           HD1      PRO   2  -2.970   9.243  -8.225
   15    H    THR   3           HN       THR   3  -5.339   8.562  -5.670
   16    HA   THR   3           HA       THR   3  -7.711   9.050  -4.023
   17    HB   THR   3           HB       THR   3  -8.011   6.638  -3.690
   18    HG1  THR   3           HG1      THR   3  -6.780   5.526  -5.695
   19   HG21  THR   3          HG21      THR   3  -8.084   7.540  -6.580
   20   HG22  THR   3          HG22      THR   3  -9.364   7.736  -5.376
   21   HG23  THR   3          HG23      THR   3  -8.927   6.121  -5.941
   22    H    LEU   4           HN       LEU   4  -7.474   7.879  -1.817
   23    HA   LEU   4           HA       LEU   4  -5.211   9.065  -0.669
   24    HB2  LEU   4           HB2      LEU   4  -7.244   8.882   0.596
   25    HB3  LEU   4           HB1      LEU   4  -7.184   7.126   0.514
   26    HG   LEU   4           HG       LEU   4  -5.040   7.242   1.842
   27   HD11  LEU   4          HD11      LEU   4  -4.387   9.498   1.389
   28   HD12  LEU   4          HD12      LEU   4  -4.724   9.360   3.123
   29   HD13  LEU   4          HD13      LEU   4  -5.906  10.111   2.047
   30   HD21  LEU   4          HD21      LEU   4  -7.115   6.640   2.922
   31   HD22  LEU   4          HD22      LEU   4  -7.548   8.340   3.098
   32   HD23  LEU   4          HD23      LEU   4  -6.170   7.685   3.981
   33    H    GLN   5           HN       GLN   5  -5.885   5.687  -1.446
   34    HA   GLN   5           HA       GLN   5  -3.552   4.648  -0.229
   35    HB2  GLN   5           HB2      GLN   5  -5.556   3.326  -0.861
   36    HB3  GLN   5           HB1      GLN   5  -5.099   3.507  -2.543
   37    HG2  GLN   5           HG2      GLN   5  -3.124   2.375  -0.642
   38    HG3  GLN   5           HG1      GLN   5  -4.462   1.366  -1.177
   39   HE21  GLN   5          HE21      GLN   5  -1.591   1.115  -1.677
   40   HE22  GLN   5          HE22      GLN   5  -1.394   1.132  -3.395
   41    H    GLU   6           HN       GLU   6  -4.190   6.032  -3.406
   42    HA   GLU   6           HA       GLU   6  -1.664   5.296  -4.506
   43    HB2  GLU   6           HB2      GLU   6  -3.664   6.015  -5.854
   44    HB3  GLU   6           HB1      GLU   6  -3.337   7.661  -5.323
   45    HG2  GLU   6           HG2      GLU   6  -2.383   7.419  -7.467
   46    HG3  GLU   6           HG1      GLU   6  -1.068   7.446  -6.304
   47    H    ALA   7           HN       ALA   7  -2.817   7.829  -2.433
   48    HA   ALA   7           HA       ALA   7  -0.579   9.569  -2.643
   49    HB1  ALA   7           HB1      ALA   7  -2.541   9.124  -0.391
   50    HB2  ALA   7           HB2      ALA   7  -2.644  10.349  -1.661
   51    HB3  ALA   7           HB3      ALA   7  -1.359  10.433  -0.454
   52    H    LEU   8           HN       LEU   8  -1.297   6.660  -0.918
   53    HA   LEU   8           HA       LEU   8   1.014   6.612   0.699
   54    HB2  LEU   8           HB2      LEU   8  -0.720   4.442  -0.366
   55    HB3  LEU   8           HB1      LEU   8   0.613   4.154   0.728
   56    HG   LEU   8           HG       LEU   8  -1.984   5.517   1.245
   57   HD11  LEU   8          HD11      LEU   8  -0.429   3.418   2.735
   58   HD12  LEU   8          HD12      LEU   8  -1.695   3.079   1.554
   59   HD13  LEU   8          HD13      LEU   8  -2.085   3.936   3.042
   60   HD21  LEU   8          HD21      LEU   8  -0.521   7.089   2.172
   61   HD22  LEU   8          HD22      LEU   8   0.595   5.840   2.724
   62   HD23  LEU   8          HD23      LEU   8  -0.967   6.030   3.517
   63    H    ASP   9           HN       ASP   9   0.212   5.053  -2.379
   64    HA   ASP   9           HA       ASP   9   2.670   3.965  -3.014
   65    HB2  ASP   9           HB2      ASP   9   0.484   5.126  -4.772
   66    HB3  ASP   9           HB1      ASP   9   1.911   4.327  -5.435
   67    H    ARG  10           HN       ARG  10   1.547   7.234  -3.108
   68    HA   ARG  10           HA       ARG  10   3.682   8.364  -4.634
   69    HB2  ARG  10           HB2      ARG  10   1.359   9.254  -4.364
   70    HB3  ARG  10           HB1      ARG  10   1.727   9.615  -2.689
   71    HG2  ARG  10           HG2      ARG  10   3.154  11.343  -3.260
   72    HG3  ARG  10           HG1      ARG  10   3.311  10.794  -4.935
   73    HD2  ARG  10           HD2      ARG  10   0.908  11.242  -5.246
   74    HD3  ARG  10           HD1      ARG  10   0.832  11.892  -3.615
   75    HE   ARG  10           HE       ARG  10   2.659  13.085  -5.590
   76   HH11  ARG  10          HH11      ARG  10  -0.100  13.393  -3.420
   77   HH12  ARG  10          HH12      ARG  10  -0.173  15.120  -3.586
   78   HH21  ARG  10          HH21      ARG  10   2.545  15.338  -5.787
   79   HH22  ARG  10          HH22      ARG  10   1.329  16.233  -4.916
   80    H    LYS  11           HN       LYS  11   2.947   7.988  -1.191
   81    HA   LYS  11           HA       LYS  11   5.246   9.242  -0.136
   82    HB2  LYS  11           HB2      LYS  11   3.278   8.672   1.202
   83    HB3  LYS  11           HB1      LYS  11   3.613   6.972   0.951
   84    HG2  LYS  11           HG2      LYS  11   4.340   7.784   3.150
   85    HG3  LYS  11           HG1      LYS  11   5.655   7.131   2.190
   86    HD2  LYS  11           HD2      LYS  11   6.372   9.141   3.292
   87    HD3  LYS  11           HD1      LYS  11   6.304   9.399   1.550
   88    HE2  LYS  11           HE2      LYS  11   4.362  10.651   1.694
   89    HE3  LYS  11           HE1      LYS  11   4.008  10.071   3.307
   90    HZ1  LYS  11           HZ1      LYS  11   4.841  12.408   3.169
   91    HZ2  LYS  11           HZ2      LYS  11   6.350  11.781   2.712
   92    HZ3  LYS  11           HZ3      LYS  11   5.698  11.399   4.228
   93    H    CYS  12           HN       CYS  12   4.388   5.962  -0.951
   94    HA   CYS  12           HA       CYS  12   6.716   4.583  -0.500
   95    HB2  CYS  12           HB2      CYS  12   4.548   4.238  -2.546
   96    HB3  CYS  12           HB1      CYS  12   5.820   3.060  -2.318
   97    HG   CYS  12           HG       CYS  12   3.236   2.485  -1.049
   98    H    ALA  13           HN       ALA  13   5.831   6.526  -3.282
   99    HA   ALA  13           HA       ALA  13   8.036   5.689  -4.892
  100    HB1  ALA  13           HB1      ALA  13   7.389   7.823  -6.182
  101    HB2  ALA  13           HB2      ALA  13   6.031   7.934  -5.050
  102    HB3  ALA  13           HB3      ALA  13   6.210   6.517  -6.087
  103    H    GLN  14           HN       GLN  14   7.501   8.094  -2.464
  104    HA   GLN  14           HA       GLN  14   9.751   9.739  -3.067
  105    HB2  GLN  14           HB2      GLN  14   7.951   9.492  -0.683
  106    HB3  GLN  14           HB1      GLN  14   9.269  10.661  -0.769
  107    HG2  GLN  14           HG2      GLN  14   8.268  11.579  -2.824
  108    HG3  GLN  14           HG1      GLN  14   6.916  10.472  -2.628
  109   HE21  GLN  14          HE21      GLN  14   6.975  10.784   0.300
  110   HE22  GLN  14          HE22      GLN  14   6.248  12.320   0.612
  111    H    PHE  15           HN       PHE  15   9.208   6.915  -1.143
  112    HA   PHE  15           HA       PHE  15  11.873   7.091   0.048
  113    HB2  PHE  15           HB2      PHE  15   9.707   5.011   0.402
  114    HB3  PHE  15           HB1      PHE  15  11.232   5.044   1.268
  115    HD1  PHE  15           HD2      PHE  15  11.649   7.495   2.344
  116    HD2  PHE  15           HD1      PHE  15   7.890   5.656   1.636
  117    HE1  PHE  15           HE2      PHE  15  10.651   8.895   4.076
  118    HE2  PHE  15           HE1      PHE  15   6.871   7.069   3.367
  119    HZ   PHE  15           HZ       PHE  15   8.170   8.530   4.658
  120    H    GLY  16           HN       GLY  16   9.925   4.708  -1.716
  121    HA2  GLY  16           HA2      GLY  16  11.852   2.782  -2.166
  122    HA3  GLY  16           HA1      GLY  16  10.469   3.074  -3.200
  123    H    LYS  17           HN       LYS  17  10.785   5.180  -4.556
  124    HA   LYS  17           HA       LYS  17  12.885   4.433  -6.306
  125    HB2  LYS  17           HB2      LYS  17  11.253   6.934  -6.506
  126    HB3  LYS  17           HB1      LYS  17  11.999   5.998  -7.797
  127    HG2  LYS  17           HG2      LYS  17   9.696   5.092  -6.091
  128    HG3  LYS  17           HG1      LYS  17   9.573   5.734  -7.719
  129    HD2  LYS  17           HD2      LYS  17  11.107   3.825  -8.425
  130    HD3  LYS  17           HD1      LYS  17  10.802   3.133  -6.826
  131    HE2  LYS  17           HE2      LYS  17   9.288   2.208  -8.495
  132    HE3  LYS  17           HE1      LYS  17   8.412   3.127  -7.272
  133    HZ1  LYS  17           HZ1      LYS  17   9.190   4.235  -9.916
  134    HZ2  LYS  17           HZ2      LYS  17   8.142   4.933  -8.779
  135    HZ3  LYS  17           HZ3      LYS  17   7.678   3.530  -9.607
  136    H    GLU  18           HN       GLU  18  12.583   6.702  -3.730
  137    HA   GLU  18           HA       GLU  18  14.783   8.353  -4.330
  138    HB2  GLU  18           HB2      GLU  18  13.457   8.985  -2.486
  139    HB3  GLU  18           HB1      GLU  18  13.611   7.409  -1.722
  140    HG2  GLU  18           HG2      GLU  18  15.987   7.859  -1.317
  141    HG3  GLU  18           HG1      GLU  18  15.811   9.441  -2.071
  142    H    SER  19           HN       SER  19  14.590   5.266  -2.571
  143    HA   SER  19           HA       SER  19  17.326   4.809  -2.280
  144    HB2  SER  19           HB2      SER  19  15.176   2.758  -2.801
  145    HB3  SER  19           HB1      SER  19  16.751   2.460  -2.058
  146    HG   SER  19           HG       SER  19  15.603   4.406  -0.675
  147    H    CYS  20           HN       CYS  20  15.128   4.070  -4.919
  148    HA   CYS  20           HA       CYS  20  16.899   2.832  -6.673
  149    HB2  CYS  20           HB2      CYS  20  14.885   2.675  -7.644
  150    HB3  CYS  20           HB1      CYS  20  14.271   4.076  -6.782
  151    HG   CYS  20           HG       CYS  20  16.171   4.305  -9.629
  152    H    ASN  21           HN       ASN  21  16.212   6.266  -6.171
  153    HA   ASN  21           HA       ASN  21  17.946   7.240  -8.190
  154    HB2  ASN  21           HB2      ASN  21  16.537   8.412  -5.842
  155    HB3  ASN  21           HB1      ASN  21  17.863   9.326  -6.553
  156   HD21  ASN  21          HD21      ASN  21  14.704   7.940  -7.145
  157   HD22  ASN  21          HD22      ASN  21  14.337   8.903  -8.543
  158    H    SER  22           HN       SER  22  18.372   6.456  -4.803
  159    HA   SER  22           HA       SER  22  20.987   7.497  -4.531
  160    HB2  SER  22           HB2      SER  22  19.454   6.976  -2.641
  161    HB3  SER  22           HB1      SER  22  19.703   5.260  -2.953
  162    HG   SER  22           HG       SER  22  21.574   7.194  -2.064
  163    H    GLY  23           HN       GLY  23  19.729   4.519  -5.833
  164    HA2  GLY  23           HA2      GLY  23  21.573   3.781  -7.520
  165    HA3  GLY  23           HA1      GLY  23  22.446   3.425  -6.040
  166    H    LEU  24           HN       LEU  24  19.331   2.831  -5.274
  167    HA   LEU  24           HA       LEU  24  19.710   0.020  -5.303
  168    HB2  LEU  24           HB2      LEU  24  17.707   1.903  -4.315
  169    HB3  LEU  24           HB1      LEU  24  17.026   0.381  -4.848
  170    HG   LEU  24           HG       LEU  24  17.763   0.695  -2.359
  171   HD11  LEU  24          HD11      LEU  24  16.894  -1.372  -3.229
  172   HD12  LEU  24          HD12      LEU  24  18.304  -1.699  -2.224
  173   HD13  LEU  24          HD13      LEU  24  18.445  -1.747  -3.981
  174   HD21  LEU  24          HD21      LEU  24  20.357  -0.031  -3.714
  175   HD22  LEU  24          HD22      LEU  24  20.061  -0.100  -1.972
  176   HD23  LEU  24          HD23      LEU  24  20.022   1.451  -2.810
  177    H    ALA  25           HN       ALA  25  19.669  -1.138  -7.036
  178    HA   ALA  25           HA       ALA  25  18.454  -0.329  -9.467
  179    HB1  ALA  25           HB1      ALA  25  19.173  -2.481 -10.318
  180    HB2  ALA  25           HB2      ALA  25  19.516  -3.029  -8.676
  181    HB3  ALA  25           HB3      ALA  25  20.452  -1.709  -9.381
  182    H    SER  26           HN       SER  26  17.236  -1.968  -6.737
  183    HA   SER  26           HA       SER  26  15.290  -3.581  -7.987
  184    HB2  SER  26           HB2      SER  26  14.246  -3.596  -5.711
  185    HB3  SER  26           HB1      SER  26  15.922  -4.128  -5.779
  186    HG   SER  26           HG       SER  26  15.760  -2.725  -4.077
  187    H    TYR  27           HN       TYR  27  14.841  -0.486  -6.198
  188    HA   TYR  27           HA       TYR  27  12.163  -0.196  -7.131
  189    HB2  TYR  27           HB2      TYR  27  13.826   2.132  -6.152
  190    HB3  TYR  27           HB1      TYR  27  12.094   1.861  -6.013
  191    HD1  TYR  27           HD2      TYR  27  11.243   0.098  -4.453
  192    HD2  TYR  27           HD1      TYR  27  15.304   1.410  -4.431
  193    HE1  TYR  27           HE2      TYR  27  11.520  -0.857  -2.204
  194    HE2  TYR  27           HE1      TYR  27  15.596   0.436  -2.191
  195    HH   TYR  27           HH       TYR  27  14.126  -0.129  -0.221
  196    H    CYS  28           HN       CYS  28  15.180   0.388  -8.565
  197    HA   CYS  28           HA       CYS  28  14.464   2.585 -10.228
  198    HB2  CYS  28           HB2      CYS  28  16.821   1.911  -9.610
  199    HB3  CYS  28           HB1      CYS  28  16.650   0.564 -10.727
  200    HG   CYS  28           HG       CYS  28  17.097   1.857 -12.922
  201    H    GLY  29           HN       GLY  29  12.980   2.479 -11.754
  202    HA2  GLY  29           HA2      GLY  29  11.919   1.738 -13.682
  203    HA3  GLY  29           HA1      GLY  29  12.980   0.335 -13.694
  204    H    ALA  30           HN       ALA  30  11.656   0.751 -10.679
  205    HA   ALA  30           HA       ALA  30   9.780  -1.444 -11.127
  206    HB1  ALA  30           HB1      ALA  30  10.960  -0.309  -8.600
  207    HB2  ALA  30           HB2      ALA  30  11.376  -1.836  -9.381
  208    HB3  ALA  30           HB3      ALA  30   9.782  -1.622  -8.654
  209    H    ALA  31           HN       ALA  31   7.773  -1.390  -9.857
  210    HA   ALA  31           HA       ALA  31   6.585   1.302  -9.726
  211    HB1  ALA  31           HB1      ALA  31   5.528  -0.173 -11.350
  212    HB2  ALA  31           HB2      ALA  31   4.440   0.184 -10.011
  213    HB3  ALA  31           HB3      ALA  31   5.261  -1.378 -10.086
  214    H    ILE  32           HN       ILE  32   6.527   1.993  -7.567
  215    HA   ILE  32           HA       ILE  32   6.469  -0.184  -5.609
  216    HB   ILE  32           HB       ILE  32   8.394   1.392  -5.435
  217   HG12  ILE  32          HG12      ILE  32   6.812   1.815  -2.958
  218   HG13  ILE  32          HG11      ILE  32   7.032   0.151  -3.481
  219   HG21  ILE  32          HG21      ILE  32   8.051   3.610  -4.575
  220   HG22  ILE  32          HG22      ILE  32   6.305   3.368  -4.558
  221   HG23  ILE  32          HG23      ILE  32   7.176   3.415  -6.095
  222   HD11  ILE  32          HD11      ILE  32   8.707   0.983  -1.848
  223   HD12  ILE  32          HD12      ILE  32   9.287   2.084  -3.099
  224   HD13  ILE  32          HD13      ILE  32   9.387   0.327  -3.347
  225    H    TYR  33           HN       TYR  33   4.992  -0.365  -4.071
  226    HA   TYR  33           HA       TYR  33   2.727   1.513  -4.146
  227    HB2  TYR  33           HB2      TYR  33   2.519  -1.498  -4.009
  228    HB3  TYR  33           HB1      TYR  33   1.191  -0.354  -4.093
  229    HD1  TYR  33           HD1      TYR  33   0.791   0.910  -6.188
  230    HD2  TYR  33           HD2      TYR  33   3.625  -2.242  -5.966
  231    HE1  TYR  33           HE1      TYR  33   0.792   0.762  -8.633
  232    HE2  TYR  33           HE2      TYR  33   3.648  -2.401  -8.421
  233    HH   TYR  33           HH       TYR  33   2.113  -0.015 -10.427
  234    H    ALA  34           HN       ALA  34   1.408   1.481  -2.259
  235    HA   ALA  34           HA       ALA  34   2.886   0.845   0.178
  236    HB1  ALA  34           HB1      ALA  34   1.522   2.994  -0.305
  237    HB2  ALA  34           HB2      ALA  34   1.442   2.241   1.295
  238    HB3  ALA  34           HB3      ALA  34   0.129   1.986   0.136
  239    H    ARG  35           HN       ARG  35   2.622  -1.046   1.154
  240    HA   ARG  35           HA       ARG  35  -0.083  -2.146   1.170
  241    HB2  ARG  35           HB2      ARG  35   1.761  -3.227  -0.497
  242    HB3  ARG  35           HB1      ARG  35   2.063  -4.171   0.956
  243    HG2  ARG  35           HG2      ARG  35   0.442  -5.253  -0.504
  244    HG3  ARG  35           HG1      ARG  35  -0.275  -4.813   1.046
  245    HD2  ARG  35           HD2      ARG  35  -1.780  -4.277  -0.800
  246    HD3  ARG  35           HD1      ARG  35  -1.259  -2.814   0.034
  247    HE   ARG  35           HE       ARG  35   0.478  -3.289  -2.111
  248   HH11  ARG  35          HH11      ARG  35  -2.892  -2.476  -1.659
  249   HH12  ARG  35          HH12      ARG  35  -2.989  -1.508  -3.100
  250   HH21  ARG  35          HH21      ARG  35   0.355  -2.000  -3.998
  251   HH22  ARG  35          HH22      ARG  35  -1.132  -1.207  -4.412
  252    H    TYR  36           HN       TYR  36  -0.707  -2.364   3.136
  253    HA   TYR  36           HA       TYR  36   1.053  -2.521   5.398
  254    HB2  TYR  36           HB2      TYR  36  -1.343  -1.567   5.286
  255    HB3  TYR  36           HB1      TYR  36  -1.882  -3.243   5.335
  256    HD1  TYR  36           HD1      TYR  36   0.014  -0.685   7.176
  257    HD2  TYR  36           HD2      TYR  36  -1.983  -4.418   7.371
  258    HE1  TYR  36           HE1      TYR  36   0.182  -0.614   9.610
  259    HE2  TYR  36           HE2      TYR  36  -1.842  -4.378   9.815
  260    HH   TYR  36           HH       TYR  36  -1.044  -1.567  11.556
  261    H    ASP  37           HN       ASP  37   2.312  -4.366   4.766
  262    HA   ASP  37           HA       ASP  37   1.075  -6.933   5.355
  263    HB2  ASP  37           HB2      ASP  37   1.154  -6.373   2.718
  264    HB3  ASP  37           HB1      ASP  37   2.813  -6.933   2.918
  265    H    LYS  38           HN       LYS  38   3.156  -8.580   4.677
  266    HA   LYS  38           HA       LYS  38   5.161  -7.827   6.638
  267    HB2  LYS  38           HB2      LYS  38   4.834 -10.293   4.932
  268    HB3  LYS  38           HB1      LYS  38   5.993 -10.120   6.237
  269    HG2  LYS  38           HG2      LYS  38   4.296 -10.097   7.864
  270    HG3  LYS  38           HG1      LYS  38   3.027  -9.873   6.660
  271    HD2  LYS  38           HD2      LYS  38   4.617 -12.304   7.353
  272    HD3  LYS  38           HD1      LYS  38   2.870 -12.108   7.241
  273    HE2  LYS  38           HE2      LYS  38   4.787 -12.059   4.937
  274    HE3  LYS  38           HE1      LYS  38   3.797 -13.436   5.400
  275    HZ1  LYS  38           HZ1      LYS  38   2.892 -10.837   4.277
  276    HZ2  LYS  38           HZ2      LYS  38   1.828 -11.896   5.058
  277    HZ3  LYS  38           HZ3      LYS  38   2.640 -12.399   3.660
  278    H    GLY  39           HN       GLY  39   7.454  -8.012   6.149
  279    HA2  GLY  39           HA2      GLY  39   8.106  -7.284   3.372
  280    HA3  GLY  39           HA1      GLY  39   9.142  -7.022   4.774
  281    H    ASN  40           HN       ASN  40  10.875  -8.284   4.688
  282    HA   ASN  40           HA       ASN  40  10.980 -10.828   3.422
  283    HB2  ASN  40           HB2      ASN  40  12.979  -9.398   3.830
  284    HB3  ASN  40           HB1      ASN  40  12.793  -9.656   5.561
  285   HD21  ASN  40          HD21      ASN  40  13.708 -11.075   2.526
  286   HD22  ASN  40          HD22      ASN  40  14.501 -12.468   3.186
  287    H    SER  41           HN       SER  41  11.766 -12.793   4.959
  288    HA   SER  41           HA       SER  41   9.541 -13.658   6.371
  289    HB2  SER  41           HB2      SER  41  11.306 -15.159   5.500
  290    HB3  SER  41           HB1      SER  41  12.410 -14.562   6.737
  291    HG   SER  41           HG       SER  41  10.738 -16.564   6.947
  292    H    SER  42           HN       SER  42  12.542 -12.211   7.609
  293    HA   SER  42           HA       SER  42  11.697 -12.312  10.342
  294    HB2  SER  42           HB2      SER  42  13.749 -10.752  10.579
  295    HB3  SER  42           HB1      SER  42  14.020 -12.408  10.033
  296    HG   SER  42           HG       SER  42  15.085 -10.719   8.780
  297    H    GLN  43           HN       GLN  43  10.813 -10.410   7.799
  298    HA   GLN  43           HA       GLN  43  10.281  -8.029   9.432
  299    HB2  GLN  43           HB2      GLN  43  10.525  -8.437   6.459
  300    HB3  GLN  43           HB1      GLN  43   9.763  -7.003   7.132
  301    HG2  GLN  43           HG2      GLN  43  12.546  -7.850   7.874
  302    HG3  GLN  43           HG1      GLN  43  12.196  -6.806   6.496
  303   HE21  GLN  43          HE21      GLN  43  12.237  -7.058   9.963
  304   HE22  GLN  43          HE22      GLN  43  12.000  -5.372  10.296
  305    H    GLN  44           HN       GLN  44   8.739 -10.537   9.492
  306    HA   GLN  44           HA       GLN  44   6.310 -10.294   8.086
  307    HB2  GLN  44           HB2      GLN  44   5.447 -11.962   9.558
  308    HB3  GLN  44           HB1      GLN  44   7.116 -12.352   9.195
  309    HG2  GLN  44           HG2      GLN  44   6.213 -10.991  11.715
  310    HG3  GLN  44           HG1      GLN  44   6.403 -12.729  11.540
  311   HE21  GLN  44          HE21      GLN  44   7.999  -9.691  11.878
  312   HE22  GLN  44          HE22      GLN  44   9.592 -10.312  12.129
  313    H    THR  45           HN       THR  45   4.366 -10.549  10.170
  314    HA   THR  45           HA       THR  45   2.704  -9.260  10.936
  315    HB   THR  45           HB       THR  45   3.473  -7.362  12.555
  316    HG1  THR  45           HG1      THR  45   5.784  -7.855  11.664
  317   HG21  THR  45          HG21      THR  45   3.966 -10.278  13.121
  318   HG22  THR  45          HG22      THR  45   2.421  -9.435  13.248
  319   HG23  THR  45          HG23      THR  45   3.746  -9.017  14.335
  320    H    LYS  46           HN       LYS  46   1.542  -8.119   9.625
  321    HA   LYS  46           HA       LYS  46   2.546  -6.441   7.652
  322    HB2  LYS  46           HB2      LYS  46  -0.225  -6.289   8.778
  323    HB3  LYS  46           HB1      LYS  46   0.293  -5.780   7.191
  324    HG2  LYS  46           HG2      LYS  46   0.949  -8.258   6.869
  325    HG3  LYS  46           HG1      LYS  46  -0.127  -8.534   8.240
  326    HD2  LYS  46           HD2      LYS  46  -1.766  -7.011   6.859
  327    HD3  LYS  46           HD1      LYS  46  -0.741  -7.511   5.517
  328    HE2  LYS  46           HE2      LYS  46  -1.182  -9.842   5.976
  329    HE3  LYS  46           HE1      LYS  46  -2.124  -9.410   7.402
  330    HZ1  LYS  46           HZ1      LYS  46  -2.800  -8.807   4.572
  331    HZ2  LYS  46           HZ2      LYS  46  -3.659  -8.206   5.907
  332    HZ3  LYS  46           HZ3      LYS  46  -3.612  -9.873   5.611
  333    H    GLU  47           HN       GLU  47   3.305  -4.469   7.721
  334    HA   GLU  47           HA       GLU  47   1.869  -2.440   9.265
  335    HB2  GLU  47           HB2      GLU  47   4.887  -2.662   9.223
  336    HB3  GLU  47           HB1      GLU  47   3.980  -1.287   9.840
  337    HG2  GLU  47           HG2      GLU  47   3.071  -2.595  11.610
  338    HG3  GLU  47           HG1      GLU  47   3.717  -4.072  10.915
  339    H    TRP  48           HN       TRP  48   2.078  -0.344   8.273
  340    HA   TRP  48           HA       TRP  48   1.992  -0.420   5.506
  341    HB2  TRP  48           HB2      TRP  48   2.357   1.798   7.470
  342    HB3  TRP  48           HB1      TRP  48   2.457   2.090   5.744
  343    HD1  TRP  48           HD1      TRP  48   0.041   2.269   8.410
  344    HE1  TRP  48           HE1      TRP  48  -2.360   2.236   7.464
  345    HE3  TRP  48           HE3      TRP  48   1.037   0.554   3.712
  346    HZ2  TRP  48           HZ2      TRP  48  -3.667   1.526   5.050
  347    HZ3  TRP  48           HZ3      TRP  48  -0.825   0.212   2.150
  348    HH2  TRP  48           HH2      TRP  48  -3.137   0.681   2.813
  349    H    ARG  49           HN       ARG  49   3.617  -0.907   4.202
  350    HA   ARG  49           HA       ARG  49   6.141   0.496   4.625
  351    HB2  ARG  49           HB2      ARG  49   5.829  -2.468   4.119
  352    HB3  ARG  49           HB1      ARG  49   7.351  -1.605   3.945
  353    HG2  ARG  49           HG2      ARG  49   7.591  -1.288   6.196
  354    HG3  ARG  49           HG1      ARG  49   5.866  -1.404   6.522
  355    HD2  ARG  49           HD2      ARG  49   6.133  -3.851   5.740
  356    HD3  ARG  49           HD1      ARG  49   7.852  -3.581   6.022
  357    HE   ARG  49           HE       ARG  49   6.615  -2.740   8.310
  358   HH11  ARG  49          HH11      ARG  49   6.563  -5.669   6.458
  359   HH12  ARG  49          HH12      ARG  49   6.465  -6.709   7.844
  360   HH21  ARG  49          HH21      ARG  49   6.440  -4.084  10.172
  361   HH22  ARG  49          HH22      ARG  49   6.346  -5.811   9.947
  362    H    CYS  50           HN       CYS  50   7.500   0.369   2.627
  363    HA   CYS  50           HA       CYS  50   5.723   0.682   0.324
  364    HB2  CYS  50           HB2      CYS  50   8.620   1.513   0.687
  365    HB3  CYS  50           HB1      CYS  50   7.564   1.963  -0.653
  366    HG   CYS  50           HG       CYS  50   5.766   3.309   1.201
  367    H    TYR  51           HN       TYR  51   5.621  -0.882  -1.078
  368    HA   TYR  51           HA       TYR  51   7.865  -2.783  -1.326
  369    HB2  TYR  51           HB2      TYR  51   4.890  -3.339  -1.523
  370    HB3  TYR  51           HB1      TYR  51   6.153  -4.525  -1.796
  371    HD1  TYR  51           HD1      TYR  51   7.971  -4.057   0.395
  372    HD2  TYR  51           HD2      TYR  51   3.729  -3.996   0.348
  373    HE1  TYR  51           HE1      TYR  51   7.941  -4.651   2.790
  374    HE2  TYR  51           HE2      TYR  51   3.679  -4.584   2.735
  375    HH   TYR  51           HH       TYR  51   6.463  -4.488   4.701
  376    H    ILE  52           HN       ILE  52   8.669  -2.726  -3.415
  377    HA   ILE  52           HA       ILE  52   7.090  -1.538  -5.488
  378    HB   ILE  52           HB       ILE  52   8.938  -2.436  -7.008
  379   HG12  ILE  52          HG12      ILE  52  10.231  -2.811  -4.382
  380   HG13  ILE  52          HG11      ILE  52   9.779  -4.120  -5.481
  381   HG21  ILE  52          HG21      ILE  52  10.379  -0.607  -6.481
  382   HG22  ILE  52          HG22      ILE  52   9.776  -0.560  -4.821
  383   HG23  ILE  52          HG23      ILE  52   8.718  -0.096  -6.162
  384   HD11  ILE  52          HD11      ILE  52  11.678  -1.888  -6.172
  385   HD12  ILE  52          HD12      ILE  52  11.324  -3.332  -7.132
  386   HD13  ILE  52          HD13      ILE  52  12.173  -3.486  -5.591
  387    H    GLU  53           HN       GLU  53   6.342  -2.561  -7.346
  388    HA   GLU  53           HA       GLU  53   4.576  -4.595  -6.908
  389    HB2  GLU  53           HB2      GLU  53   4.427  -3.033  -8.757
  390    HB3  GLU  53           HB1      GLU  53   5.835  -3.754  -9.519
  391    HG2  GLU  53           HG2      GLU  53   4.651  -5.824  -9.841
  392    HG3  GLU  53           HG1      GLU  53   3.245  -5.180  -8.973
  393    H    LYS  54           HN       LYS  54   7.872  -4.770  -7.842
  394    HA   LYS  54           HA       LYS  54   8.331  -7.282  -8.751
  395    HB2  LYS  54           HB2      LYS  54   9.826  -5.226  -7.676
  396    HB3  LYS  54           HB1      LYS  54  10.052  -6.479  -6.470
  397    HG2  LYS  54           HG2      LYS  54  10.446  -7.349  -9.264
  398    HG3  LYS  54           HG1      LYS  54  11.600  -6.153  -8.674
  399    HD2  LYS  54           HD2      LYS  54  12.555  -8.252  -8.186
  400    HD3  LYS  54           HD1      LYS  54  11.910  -7.658  -6.657
  401    HE2  LYS  54           HE2      LYS  54   9.834  -9.010  -7.167
  402    HE3  LYS  54           HE1      LYS  54  10.756  -9.757  -8.471
  403    HZ1  LYS  54           HZ1      LYS  54  12.362 -10.535  -6.854
  404    HZ2  LYS  54           HZ2      LYS  54  10.804 -11.072  -6.443
  405    HZ3  LYS  54           HZ3      LYS  54  11.501  -9.780  -5.597
  406    H    GLU  55           HN       GLU  55   7.747  -6.240  -5.459
  407    HA   GLU  55           HA       GLU  55   8.261  -8.903  -4.427
  408    HB2  GLU  55           HB2      GLU  55   7.847  -6.354  -2.923
  409    HB3  GLU  55           HB1      GLU  55   8.658  -7.804  -2.373
  410    HG2  GLU  55           HG2      GLU  55   9.641  -6.122  -4.663
  411    HG3  GLU  55           HG1      GLU  55  10.138  -5.888  -2.983
  412    H    LEU  56           HN       LEU  56   5.577  -6.749  -4.961
  413    HA   LEU  56           HA       LEU  56   3.820  -8.054  -3.115
  414    HB2  LEU  56           HB2      LEU  56   3.311  -6.244  -5.463
  415    HB3  LEU  56           HB1      LEU  56   2.024  -7.008  -4.581
  416    HG   LEU  56           HG       LEU  56   2.877  -5.789  -2.496
  417   HD11  LEU  56          HD11      LEU  56   4.240  -3.814  -2.978
  418   HD12  LEU  56          HD12      LEU  56   4.387  -4.309  -4.665
  419   HD13  LEU  56          HD13      LEU  56   5.107  -5.291  -3.390
  420   HD21  LEU  56          HD21      LEU  56   1.858  -3.653  -3.286
  421   HD22  LEU  56          HD22      LEU  56   0.894  -5.087  -3.646
  422   HD23  LEU  56          HD23      LEU  56   1.839  -4.315  -4.926
  423    H    ASP  57           HN       ASP  57   1.839  -9.087  -3.954
  424    HA   ASP  57           HA       ASP  57   2.193 -10.498  -6.504
  425    HB2  ASP  57           HB2      ASP  57   2.673 -11.949  -4.414
  426    HB3  ASP  57           HB1      ASP  57   0.948 -11.834  -4.106
  427    H    PHE  58           HN       PHE  58   0.493 -10.118  -7.795
  428    HA   PHE  58           HA       PHE  58  -1.849  -8.853  -6.616
  429    HB2  PHE  58           HB2      PHE  58  -0.822  -9.117  -9.410
  430    HB3  PHE  58           HB1      PHE  58  -2.505  -8.673  -9.117
  431    HD1  PHE  58           HD1      PHE  58   0.980  -7.665  -8.262
  432    HD2  PHE  58           HD2      PHE  58  -3.095  -6.520  -8.656
  433    HE1  PHE  58           HE1      PHE  58   1.623  -5.313  -7.935
  434    HE2  PHE  58           HE2      PHE  58  -2.458  -4.156  -8.343
  435    HZ   PHE  58           HZ       PHE  58  -0.099  -3.553  -7.977
  436    H    SER  59           HN       SER  59  -0.976 -11.946  -7.065
  437    HA   SER  59           HA       SER  59  -3.676 -12.858  -7.699
  438    HB2  SER  59           HB2      SER  59  -1.947 -14.953  -6.761
  439    HB3  SER  59           HB1      SER  59  -2.688 -14.762  -8.346
  440    HG   SER  59           HG       SER  59  -0.203 -13.723  -7.430
  441    H    LYS  60           HN       LYS  60  -1.974 -11.636  -5.195
  442    HA   LYS  60           HA       LYS  60  -3.595 -12.944  -3.134
  443    HB2  LYS  60           HB2      LYS  60  -1.047 -11.386  -3.128
  444    HB3  LYS  60           HB1      LYS  60  -2.122 -11.196  -1.770
  445    HG2  LYS  60           HG2      LYS  60  -0.497 -12.822  -1.199
  446    HG3  LYS  60           HG1      LYS  60  -2.042 -13.638  -1.407
  447    HD2  LYS  60           HD2      LYS  60  -0.229 -13.481  -3.754
  448    HD3  LYS  60           HD1      LYS  60   0.216 -14.574  -2.443
  449    HE2  LYS  60           HE2      LYS  60  -2.361 -14.584  -4.012
  450    HE3  LYS  60           HE1      LYS  60  -1.060 -15.768  -4.111
  451    HZ1  LYS  60           HZ1      LYS  60  -2.692 -16.719  -2.752
  452    HZ2  LYS  60           HZ2      LYS  60  -2.934 -15.291  -1.872
  453    HZ3  LYS  60           HZ3      LYS  60  -1.501 -16.175  -1.671
  454    H    SER  61           HN       SER  61  -5.382 -11.879  -2.441
  455    HA   SER  61           HA       SER  61  -5.781  -9.167  -3.338
  456    HB2  SER  61           HB2      SER  61  -7.955  -9.353  -2.097
  457    HB3  SER  61           HB1      SER  61  -7.737 -10.540  -3.382
  458    HG   SER  61           HG       SER  61  -6.859 -11.299  -0.847
  459    H    GLY  62           HN       GLY  62  -5.334  -7.423  -2.221
  460    HA2  GLY  62           HA2      GLY  62  -3.938  -7.836   0.300
  461    HA3  GLY  62           HA1      GLY  62  -3.859  -6.410  -0.719
  462    H    ASP  63           HN       ASP  63  -5.461  -7.978   1.883
  463    HA   ASP  63           HA       ASP  63  -7.302  -5.760   2.264
  464    HB2  ASP  63           HB2      ASP  63  -7.794  -8.183   2.944
  465    HB3  ASP  63           HB1      ASP  63  -6.641  -7.944   4.254
  466    H    GLY  64           HN       GLY  64  -4.603  -5.197   1.972
  467    HA2  GLY  64           HA2      GLY  64  -3.869  -4.108   4.621
  468    HA3  GLY  64           HA1      GLY  64  -2.663  -4.824   3.554
  469    H    CYS  65           HN       CYS  65  -5.274  -3.152   2.180
  470    HA   CYS  65           HA       CYS  65  -3.568  -0.850   1.455
  471    HB2  CYS  65           HB2      CYS  65  -6.219  -1.584   0.208
  472    HB3  CYS  65           HB1      CYS  65  -4.905  -0.646  -0.492
  473    HG   CYS  65           HG       CYS  65  -5.314  -3.997  -0.332
  474    H    VAL  66           HN       VAL  66  -4.741   1.225   1.424
  475    HA   VAL  66           HA       VAL  66  -7.015   1.240   3.291
  476    HB   VAL  66           HB       VAL  66  -5.362   2.501   4.357
  477   HG11  VAL  66          HG11      VAL  66  -4.732   3.765   1.701
  478   HG12  VAL  66          HG12      VAL  66  -3.758   2.559   2.553
  479   HG13  VAL  66          HG13      VAL  66  -3.964   4.175   3.241
  480   HG21  VAL  66          HG21      VAL  66  -6.717   4.673   2.800
  481   HG22  VAL  66          HG22      VAL  66  -6.150   4.709   4.478
  482   HG23  VAL  66          HG23      VAL  66  -7.548   3.719   4.031
  483    H    ASP  67           HN       ASP  67  -8.743   2.557   2.729
  484    HA   ASP  67           HA       ASP  67  -9.110   2.702  -0.147
  485    HB2  ASP  67           HB2      ASP  67 -10.748   1.758   1.636
  486    HB3  ASP  67           HB1      ASP  67 -11.184   3.448   1.875
  487    H    ASP  68           HN       ASP  68 -11.086   4.942   0.003
  488    HA   ASP  68           HA       ASP  68  -9.182   7.074  -0.266
  489    HB2  ASP  68           HB2      ASP  68 -11.084   8.614  -0.540
  490    HB3  ASP  68           HB1      ASP  68 -11.210   7.229  -1.601
  491    H    CYS  69           HN       CYS  69 -11.265   5.992   2.336
  492    HA   CYS  69           HA       CYS  69 -10.110   8.085   4.033
  493    HB2  CYS  69           HB2      CYS  69 -11.878   6.421   5.461
  494    HB3  CYS  69           HB1      CYS  69 -12.170   8.073   4.945
  495    HG   CYS  69           HG       CYS  69 -13.026   6.948   2.321
  496    H    GLY  70           HN       GLY  70  -9.269   7.247   6.195
  497    HA2  GLY  70           HA2      GLY  70  -7.430   5.102   5.659
  498    HA3  GLY  70           HA1      GLY  70  -7.565   5.997   7.170
  499    H    SER  71           HN       SER  71  -9.290   3.668   5.217
  500    HA   SER  71           HA       SER  71  -9.529   1.893   7.532
  501    HB2  SER  71           HB2      SER  71 -11.646   2.394   5.417
  502    HB3  SER  71           HB1      SER  71 -11.757   1.208   6.718
  503    HG   SER  71           HG       SER  71 -11.507   3.077   8.168
  504    H    MET  72           HN       MET  72  -9.096  -0.280   6.949
  505    HA   MET  72           HA       MET  72  -7.486  -0.334   4.565
  506    HB2  MET  72           HB2      MET  72  -7.958  -2.550   6.545
  507    HB3  MET  72           HB1      MET  72  -6.745  -2.511   5.270
  508    HG2  MET  72           HG2      MET  72  -5.661  -0.616   6.326
  509    HG3  MET  72           HG1      MET  72  -6.887  -0.606   7.590
  510    HE1  MET  72           HE1      MET  72  -3.818  -0.605   8.241
  511    HE2  MET  72           HE2      MET  72  -3.716  -1.826   9.511
  512    HE3  MET  72           HE3      MET  72  -5.055  -0.679   9.497
  513    H    THR  73           HN       THR  73  -8.215  -0.740   2.713
  514    HA   THR  73           HA       THR  73 -10.641  -2.324   2.350
  515    HB   THR  73           HB       THR  73 -10.612  -0.019   1.437
  516    HG1  THR  73           HG1      THR  73 -11.435  -0.606  -0.585
  517   HG21  THR  73          HG21      THR  73  -9.229   0.550  -0.449
  518   HG22  THR  73          HG22      THR  73  -8.500  -1.061  -0.452
  519   HG23  THR  73          HG23      THR  73  -8.197   0.043   0.892
  520    H    SER  74           HN       SER  74 -10.678  -3.893   0.594
  521    HA   SER  74           HA       SER  74  -8.110  -5.249   0.444
  522    HB2  SER  74           HB2      SER  74  -9.468  -7.214  -0.247
  523    HB3  SER  74           HB1      SER  74  -9.986  -6.541   1.300
  524    HG   SER  74           HG       SER  74 -11.207  -5.645  -1.060
  525    H    CYS  75           HN       CYS  75  -6.921  -4.918  -1.276
  526    HA   CYS  75           HA       CYS  75  -8.112  -4.993  -3.945
  527    HB2  CYS  75           HB2      CYS  75  -7.963  -2.608  -3.372
  528    HB3  CYS  75           HB1      CYS  75  -6.259  -2.807  -3.000
  529    HG   CYS  75           HG       CYS  75  -6.891  -1.471  -5.531
  530    H    ARG  76           HN       ARG  76  -6.611  -5.698  -5.576
  531    HA   ARG  76           HA       ARG  76  -4.953  -7.682  -4.429
  532    HB2  ARG  76           HB2      ARG  76  -5.666  -6.976  -7.196
  533    HB3  ARG  76           HB1      ARG  76  -4.286  -8.013  -6.923
  534    HG2  ARG  76           HG2      ARG  76  -6.063  -9.473  -7.168
  535    HG3  ARG  76           HG1      ARG  76  -5.814  -9.356  -5.429
  536    HD2  ARG  76           HD2      ARG  76  -8.050  -9.059  -5.490
  537    HD3  ARG  76           HD1      ARG  76  -7.499  -7.402  -5.663
  538    HE   ARG  76           HE       ARG  76  -7.766  -7.791  -8.138
  539   HH11  ARG  76          HH11      ARG  76  -9.758  -9.374  -5.737
  540   HH12  ARG  76          HH12      ARG  76 -11.078  -9.663  -6.832
  541   HH21  ARG  76          HH21      ARG  76  -9.483  -8.144  -9.574
  542   HH22  ARG  76          HH22      ARG  76 -10.913  -8.973  -9.027
  543    H    GLY  77           HN       GLY  77  -2.972  -7.661  -3.891
  544    HA2  GLY  77           HA2      GLY  77  -0.709  -7.089  -5.094
  545    HA3  GLY  77           HA1      GLY  77  -1.186  -5.468  -4.612
  546    H    SER  78           HN       SER  78   0.096  -8.471  -3.546
  547    HA   SER  78           HA       SER  78   0.656  -7.276  -0.979
  548    HB2  SER  78           HB2      SER  78  -1.386  -9.436  -1.334
  549    HB3  SER  78           HB1      SER  78  -0.439  -9.381   0.148
  550    HG   SER  78           HG       SER  78  -1.589  -7.002  -0.744
  551    H    VAL  79           HN       VAL  79   2.191  -8.176   0.191
  552    HA   VAL  79           HA       VAL  79   4.157  -9.529  -1.264
  553    HB   VAL  79           HB       VAL  79   3.940  -8.860   1.657
  554   HG11  VAL  79          HG11      VAL  79   5.456 -10.776   1.363
  555   HG12  VAL  79          HG12      VAL  79   6.326  -9.323   1.849
  556   HG13  VAL  79          HG13      VAL  79   6.371  -9.858   0.167
  557   HG21  VAL  79          HG21      VAL  79   4.034  -6.933   0.220
  558   HG22  VAL  79          HG22      VAL  79   5.429  -7.591  -0.634
  559   HG23  VAL  79          HG23      VAL  79   5.580  -7.108   1.055
  560    H    SER  80           HN       SER  80   3.808 -11.574  -1.887
  561    HA   SER  80           HA       SER  80   2.285 -13.418  -0.331
  562    HB2  SER  80           HB2      SER  80   2.966 -15.030  -2.160
  563    HB3  SER  80           HB1      SER  80   2.096 -13.591  -2.692
  564    HG   SER  80           HG       SER  80   3.744 -13.360  -3.987
  565    H    GLY  81           HN       GLY  81   5.689 -13.210  -1.299
  566    HA2  GLY  81           HA2      GLY  81   6.369 -15.121   0.844
  567    HA3  GLY  81           HA1      GLY  81   7.354 -14.830  -0.581
  568    HA   PRO  82           HA       PRO  82   9.285 -12.007   2.284
  569    HB2  PRO  82           HB2      PRO  82  11.787 -12.587   1.115
  570    HB3  PRO  82           HB1      PRO  82  11.141 -13.232   2.626
  571    HG2  PRO  82           HG2      PRO  82  11.611 -14.701   0.328
  572    HG3  PRO  82           HG1      PRO  82  10.559 -15.206   1.650
  573    HD2  PRO  82           HD2      PRO  82   9.842 -13.930  -0.954
  574    HD3  PRO  82           HD1      PRO  82   9.010 -15.226  -0.059
  575    H    SER  83           HN       SER  83   9.075  -9.930   1.798
  576    HA   SER  83           HA       SER  83   9.590  -8.958  -0.887
  577    HB2  SER  83           HB2      SER  83   7.610  -8.208   0.436
  578    HB3  SER  83           HB1      SER  83   8.706  -7.449   1.588
  579    HG   SER  83           HG       SER  83   9.505  -6.243  -0.329
  580    H    THR  84           HN       THR  84  11.772  -8.912  -1.254
  581    HA   THR  84           HA       THR  84  13.695  -8.042   0.633
  582    HB   THR  84           HB       THR  84  14.757  -7.570  -1.916
  583    HG1  THR  84           HG1      THR  84  12.955  -8.553  -2.872
  584   HG21  THR  84          HG21      THR  84  15.952  -9.692  -1.491
  585   HG22  THR  84          HG22      THR  84  14.833 -10.038  -0.171
  586   HG23  THR  84          HG23      THR  84  15.916  -8.651  -0.069
  587    H    SER  85           HN       SER  85  12.534  -6.387  -2.351
  588    HA   SER  85           HA       SER  85  13.455  -3.843  -1.550
  589    HB2  SER  85           HB2      SER  85  12.764  -3.657  -3.767
  590    HB3  SER  85           HB1      SER  85  11.400  -4.757  -3.557
  591    HG   SER  85           HG       SER  85  11.490  -2.248  -2.269
  592    H    HIS  86           HN       HIS  86  12.805  -2.767   0.272
  593    HA   HIS  86           HA       HIS  86  10.144  -1.922   0.333
  594    HB2  HIS  86           HB2      HIS  86   9.257  -2.888   2.295
  595    HB3  HIS  86           HB1      HIS  86   9.748  -4.185   1.231
  596    HD1  HIS  86           HD1      HIS  86  11.726  -5.668   1.966
  597    HD2  HIS  86           HD2      HIS  86  10.670  -2.768   4.745
  598    HE1  HIS  86           HE1      HIS  86  12.918  -6.303   4.073
  599    HE2  HIS  86           HE2      HIS  86  12.465  -4.389   5.661
  600    H    LEU  87           HN       LEU  87   9.672  -0.369   1.837
  601    HA   LEU  87           HA       LEU  87  11.817   0.392   3.691
  602    HB2  LEU  87           HB2      LEU  87  10.149   2.202   1.949
  603    HB3  LEU  87           HB1      LEU  87  11.080   2.788   3.313
  604    HG   LEU  87           HG       LEU  87  12.936   1.339   1.855
  605   HD11  LEU  87          HD11      LEU  87  11.150   2.811  -0.060
  606   HD12  LEU  87          HD12      LEU  87  11.448   1.074  -0.007
  607   HD13  LEU  87          HD13      LEU  87  12.752   2.179  -0.439
  608   HD21  LEU  87          HD21      LEU  87  13.366   3.451   2.942
  609   HD22  LEU  87          HD22      LEU  87  12.356   4.290   1.770
  610   HD23  LEU  87          HD23      LEU  87  13.857   3.530   1.251
  611    H    THR  88           HN       THR  88  11.076   0.139   5.692
  612    HA   THR  88           HA       THR  88   8.227  -0.018   6.162
  613    HB   THR  88           HB       THR  88  10.375  -0.078   8.258
  614    HG1  THR  88           HG1      THR  88  10.977  -1.925   7.415
  615   HG21  THR  88          HG21      THR  88   8.198   0.169   9.187
  616   HG22  THR  88          HG22      THR  88   8.711  -1.507   9.432
  617   HG23  THR  88          HG23      THR  88   7.568  -1.109   8.149
  618    H    ARG  89           HN       ARG  89   7.549   2.083   5.702
  619    HA   ARG  89           HA       ARG  89   8.110   3.900   7.952
  620    HB2  ARG  89           HB2      ARG  89   7.117   4.793   5.256
  621    HB3  ARG  89           HB1      ARG  89   7.860   5.757   6.515
  622    HG2  ARG  89           HG2      ARG  89   9.361   3.627   5.080
  623    HG3  ARG  89           HG1      ARG  89   9.226   5.268   4.454
  624    HD2  ARG  89           HD2      ARG  89  10.625   4.281   6.905
  625    HD3  ARG  89           HD1      ARG  89  11.230   5.297   5.597
  626    HE   ARG  89           HE       ARG  89   9.238   6.316   7.518
  627   HH11  ARG  89          HH11      ARG  89  12.340   6.546   5.879
  628   HH12  ARG  89          HH12      ARG  89  12.717   8.115   6.528
  629   HH21  ARG  89          HH21      ARG  89   9.766   8.356   8.414
  630   HH22  ARG  89          HH22      ARG  89  11.272   9.122   8.008
  631    HA   PRO  90           HA       PRO  90   3.682   2.406   7.691
  632    HB2  PRO  90           HB2      PRO  90   3.936   1.744  10.501
  633    HB3  PRO  90           HB1      PRO  90   3.490   0.705   9.161
  634    HG2  PRO  90           HG2      PRO  90   5.870   0.464  10.456
  635    HG3  PRO  90           HG1      PRO  90   5.646   0.071   8.746
  636    HD2  PRO  90           HD2      PRO  90   6.863   2.488   9.981
  637    HD3  PRO  90           HD1      PRO  90   7.334   1.607   8.531
  638    H    SER  91           HN       SER  91   5.270   4.161  10.305
  639    HA   SER  91           HA       SER  91   3.172   5.753  11.194
  640    HB2  SER  91           HB2      SER  91   6.017   6.645  10.681
  641    HB3  SER  91           HB1      SER  91   4.894   7.312  11.873
  642    HG   SER  91           HG       SER  91   6.476   5.816  12.732
  643    H    GLU  92           HN       GLU  92   5.335   6.068   8.465
  644    HA   GLU  92           HA       GLU  92   4.527   8.697   7.753
  645    HB2  GLU  92           HB2      GLU  92   6.299   6.613   6.566
  646    HB3  GLU  92           HB1      GLU  92   5.920   8.070   5.654
  647    HG2  GLU  92           HG2      GLU  92   7.996   8.412   6.745
  648    HG3  GLU  92           HG1      GLU  92   6.797   9.383   7.596
  649    H    LEU  93           HN       LEU  93   3.898   5.473   6.318
  650    HA   LEU  93           HA       LEU  93   2.274   6.380   4.213
  651    HB2  LEU  93           HB2      LEU  93   2.416   3.813   5.731
  652    HB3  LEU  93           HB1      LEU  93   1.074   4.074   4.645
  653    HG   LEU  93           HG       LEU  93   2.630   2.802   3.435
  654   HD11  LEU  93          HD11      LEU  93   3.362   4.288   1.630
  655   HD12  LEU  93          HD12      LEU  93   3.015   5.685   2.649
  656   HD13  LEU  93          HD13      LEU  93   1.706   4.617   2.138
  657   HD21  LEU  93          HD21      LEU  93   4.577   3.085   4.853
  658   HD22  LEU  93          HD22      LEU  93   4.775   4.743   4.287
  659   HD23  LEU  93          HD23      LEU  93   4.991   3.397   3.166
  660    H    GLN  94           HN       GLN  94   1.393   5.402   7.509
  661    HA   GLN  94           HA       GLN  94  -1.416   5.796   7.165
  662    HB2  GLN  94           HB2      GLN  94  -0.118   4.396   8.913
  663    HB3  GLN  94           HB1      GLN  94   0.070   5.916   9.773
  664    HG2  GLN  94           HG2      GLN  94  -1.744   4.616  10.664
  665    HG3  GLN  94           HG1      GLN  94  -2.334   6.124   9.977
  666   HE21  GLN  94          HE21      GLN  94  -3.730   6.041   8.224
  667   HE22  GLN  94          HE22      GLN  94  -4.460   4.578   7.699
  668    H    ALA  95           HN       ALA  95   1.244   7.833   7.630
  669    HA   ALA  95           HA       ALA  95  -0.040  10.040   8.867
  670    HB1  ALA  95           HB1      ALA  95   2.445   9.561   8.733
  671    HB2  ALA  95           HB2      ALA  95   1.928  11.228   8.449
  672    HB3  ALA  95           HB3      ALA  95   2.354  10.190   7.083
  673    H    VAL  96           HN       VAL  96   0.903   9.349   5.492
  674    HA   VAL  96           HA       VAL  96  -0.386  11.662   4.470
  675    HB   VAL  96           HB       VAL  96   0.831  11.158   2.682
  676   HG11  VAL  96          HG11      VAL  96   2.196   9.693   4.093
  677   HG12  VAL  96          HG12      VAL  96   2.111   9.128   2.418
  678   HG13  VAL  96          HG13      VAL  96   1.148   8.336   3.672
  679   HG21  VAL  96          HG21      VAL  96   0.052   9.471   1.109
  680   HG22  VAL  96          HG22      VAL  96  -1.302  10.373   1.800
  681   HG23  VAL  96          HG23      VAL  96  -0.938   8.743   2.376
  682    H    ILE  97           HN       ILE  97  -1.367   8.358   5.118
  683    HA   ILE  97           HA       ILE  97  -3.897   8.503   3.988
  684    HB   ILE  97           HB       ILE  97  -2.884   7.167   6.474
  685   HG12  ILE  97          HG12      ILE  97  -4.107   5.771   4.155
  686   HG13  ILE  97          HG11      ILE  97  -2.520   6.499   3.937
  687   HG21  ILE  97          HG21      ILE  97  -5.231   7.790   6.848
  688   HG22  ILE  97          HG22      ILE  97  -4.990   6.047   6.742
  689   HG23  ILE  97          HG23      ILE  97  -5.673   6.930   5.375
  690   HD11  ILE  97          HD11      ILE  97  -1.608   5.177   5.703
  691   HD12  ILE  97          HD12      ILE  97  -2.465   4.111   4.590
  692   HD13  ILE  97          HD13      ILE  97  -3.203   4.559   6.126
  693    H    ASP  98           HN       ASP  98  -2.888   9.361   7.282
  694    HA   ASP  98           HA       ASP  98  -5.242  10.576   8.111
  695    HB2  ASP  98           HB2      ASP  98  -3.436  10.035   9.652
  696    HB3  ASP  98           HB1      ASP  98  -2.386  11.222   8.873
  697    H    SER  99           HN       SER  99  -2.451  11.947   6.436
  698    HA   SER  99           HA       SER  99  -3.408  14.654   6.633
  699    HB2  SER  99           HB2      SER  99  -1.062  14.331   6.730
  700    HB3  SER  99           HB1      SER  99  -1.054  13.373   5.248
  701    HG   SER  99           HG       SER  99  -0.864  15.169   4.164
  702    H    ASP 100           HN       ASP 100  -2.733  12.464   3.899
  703    HA   ASP 100           HA       ASP 100  -4.020  14.131   1.985
  704    HB2  ASP 100           HB2      ASP 100  -3.185  11.251   1.840
  705    HB3  ASP 100           HB1      ASP 100  -3.880  12.116   0.517
  706    H    LYS 101           HN       LYS 101  -5.345  12.012   4.336
  707    HA   LYS 101           HA       LYS 101  -7.809  11.382   3.191
  708    HB2  LYS 101           HB2      LYS 101  -6.737  11.716   5.853
  709    HB3  LYS 101           HB1      LYS 101  -8.375  12.360   5.763
  710    HG2  LYS 101           HG2      LYS 101  -9.284  10.332   5.643
  711    HG3  LYS 101           HG1      LYS 101  -8.042   9.718   4.552
  712    HD2  LYS 101           HD2      LYS 101  -7.944   8.528   6.654
  713    HD3  LYS 101           HD1      LYS 101  -6.523   9.551   6.484
  714    HE2  LYS 101           HE2      LYS 101  -7.170   9.925   8.677
  715    HE3  LYS 101           HE1      LYS 101  -7.867  11.284   7.799
  716    HZ1  LYS 101           HZ1      LYS 101  -9.323  10.093   9.478
  717    HZ2  LYS 101           HZ2      LYS 101  -9.445   8.848   8.335
  718    HZ3  LYS 101           HZ3      LYS 101  -9.990  10.407   7.955
  719    H    SER 102           HN       SER 102  -6.481  14.468   4.128
  720    HA   SER 102           HA       SER 102  -8.913  15.958   3.968
  721    HB2  SER 102           HB2      SER 102  -6.796  16.731   5.109
  722    HB3  SER 102           HB1      SER 102  -6.097  16.972   3.509
  723    HG   SER 102           HG       SER 102  -6.952  18.911   4.224
  724    H    ASN 103           HN       ASN 103  -6.745  14.586   1.731
  725    HA   ASN 103           HA       ASN 103  -7.673  16.133  -0.544
  726    HB2  ASN 103           HB2      ASN 103  -5.276  15.444  -0.308
  727    HB3  ASN 103           HB1      ASN 103  -5.770  13.758  -0.445
  728   HD21  ASN 103          HD21      ASN 103  -3.950  15.246  -2.118
  729   HD22  ASN 103          HD22      ASN 103  -4.608  15.223  -3.724
  730    H    TYR 104           HN       TYR 104  -8.017  12.961   0.928
  731    HA   TYR 104           HA       TYR 104 -10.433  12.494  -0.632
  732    HB2  TYR 104           HB2      TYR 104  -8.937  10.015  -0.329
  733    HB3  TYR 104           HB1      TYR 104  -9.729  10.651  -1.762
  734    HD1  TYR 104           HD2      TYR 104  -6.636  11.102   0.278
  735    HD2  TYR 104           HD1      TYR 104  -8.436  11.265  -3.570
  736    HE1  TYR 104           HE2      TYR 104  -4.439  11.539  -0.712
  737    HE2  TYR 104           HE1      TYR 104  -6.252  11.703  -4.584
  738    HH   TYR 104           HH       TYR 104  -3.313  11.323  -2.851
  739    H    CYS 105           HN       CYS 105 -11.828  12.250   0.943
  740    HA   CYS 105           HA       CYS 105 -11.690   9.846   2.435
  741    HB2  CYS 105           HB2      CYS 105 -10.574  10.977   4.125
  742    HB3  CYS 105           HB1      CYS 105 -11.429  12.485   3.833
  743    HG   CYS 105           HG       CYS 105 -13.620  10.230   4.766
  744    H    THR 106           HN       THR 106 -13.664   9.005   2.290
  745    HA   THR 106           HA       THR 106 -15.911  10.837   1.979
  746    HB   THR 106           HB       THR 106 -17.210   8.734   1.466
  747    HG1  THR 106           HG1      THR 106 -14.632   7.532   1.224
  748   HG21  THR 106          HG21      THR 106 -16.321  10.197  -0.276
  749   HG22  THR 106          HG22      THR 106 -16.299   8.505  -0.773
  750   HG23  THR 106          HG23      THR 106 -14.806   9.292  -0.259
  751    H    ASP 107           HN       ASP 107 -17.785  10.675   3.294
  752    HA   ASP 107           HA       ASP 107 -17.251  10.134   6.034
  753    HB2  ASP 107           HB2      ASP 107 -18.790  11.891   5.554
  754    HB3  ASP 107           HB1      ASP 107 -19.779  10.840   4.544
  755    H    LYS 108           HN       LYS 108 -19.486   8.637   3.696
  756    HA   LYS 108           HA       LYS 108 -18.908   6.058   4.873
  757    HB2  LYS 108           HB2      LYS 108 -20.754   6.657   6.245
  758    HB3  LYS 108           HB1      LYS 108 -21.667   7.226   4.861
  759    HG2  LYS 108           HG2      LYS 108 -22.572   5.129   5.561
  760    HG3  LYS 108           HG1      LYS 108 -21.765   4.900   4.013
  761    HD2  LYS 108           HD2      LYS 108 -19.813   3.937   5.175
  762    HD3  LYS 108           HD1      LYS 108 -20.638   4.177   6.726
  763    HE2  LYS 108           HE2      LYS 108 -22.522   2.762   5.766
  764    HE3  LYS 108           HE1      LYS 108 -21.408   2.348   4.465
  765    HZ1  LYS 108           HZ1      LYS 108 -19.857   1.534   6.206
  766    HZ2  LYS 108           HZ2      LYS 108 -21.304   0.657   6.110
  767    HZ3  LYS 108           HZ3      LYS 108 -21.076   1.781   7.358
  768    H    SER 109           HN       SER 109 -17.898   5.832   2.800
  769    HA   SER 109           HA       SER 109 -19.849   4.879   0.815
  770    HB2  SER 109           HB2      SER 109 -17.820   4.485  -0.597
  771    HB3  SER 109           HB1      SER 109 -17.982   6.175  -0.118
  772    HG   SER 109           HG       SER 109 -16.126   6.016   0.837
  773    H    GLU 110           HN       GLU 110 -18.533   4.105   3.578
  774    HA   GLU 110           HA       GLU 110 -18.063   2.300   4.809
  775    HB2  GLU 110           HB2      GLU 110 -19.946   1.186   3.590
  776    HB3  GLU 110           HB1      GLU 110 -18.787   0.614   2.398
  777    HG2  GLU 110           HG2      GLU 110 -17.674  -0.735   4.029
  778    HG3  GLU 110           HG1      GLU 110 -18.640  -0.041   5.332
  779    H    GLN 111           HN       GLN 111 -17.172   1.199   1.573
  780    HA   GLN 111           HA       GLN 111 -14.646   2.198   1.330
  781    HB2  GLN 111           HB2      GLN 111 -13.142   0.335   1.814
  782    HB3  GLN 111           HB1      GLN 111 -13.971   0.840   3.280
  783    HG2  GLN 111           HG2      GLN 111 -15.495  -1.036   3.109
  784    HG3  GLN 111           HG1      GLN 111 -14.738  -1.535   1.597
  785   HE21  GLN 111          HE21      GLN 111 -14.189  -3.540   2.453
  786   HE22  GLN 111          HE22      GLN 111 -12.891  -3.733   3.582
  787    H    GLN 112           HN       GLN 112 -13.386   0.778  -0.409
  788    HA   GLN 112           HA       GLN 112 -15.510  -0.201  -2.212
  789    HB2  GLN 112           HB2      GLN 112 -12.989   1.302  -2.918
  790    HB3  GLN 112           HB1      GLN 112 -14.222   0.766  -4.052
  791    HG2  GLN 112           HG2      GLN 112 -15.818   2.273  -3.180
  792    HG3  GLN 112           HG1      GLN 112 -14.810   2.639  -1.780
  793   HE21  GLN 112          HE21      GLN 112 -13.058   4.021  -2.002
  794   HE22  GLN 112          HE22      GLN 112 -12.884   5.045  -3.394
  795    HA   PRO 113           HA       PRO 113 -12.414  -3.655  -2.105
  796    HB2  PRO 113           HB2      PRO 113 -14.496  -5.448  -1.284
  797    HB3  PRO 113           HB1      PRO 113 -13.060  -4.970  -0.378
  798    HG2  PRO 113           HG2      PRO 113 -15.645  -4.305   0.313
  799    HG3  PRO 113           HG1      PRO 113 -14.199  -3.425   0.839
  800    HD2  PRO 113           HD2      PRO 113 -16.131  -2.771  -1.347
  801    HD3  PRO 113           HD1      PRO 113 -15.296  -1.687  -0.214
  802    H    SER 114           HN       SER 114 -15.428  -2.874  -3.384
  803    HA   SER 114           HA       SER 114 -15.056  -4.748  -5.620
  804    HB2  SER 114           HB2      SER 114 -17.709  -3.731  -4.560
  805    HB3  SER 114           HB1      SER 114 -17.467  -4.914  -5.845
  806    HG   SER 114           HG       SER 114 -16.720  -6.375  -4.362
  807    H    GLN 115           HN       GLN 115 -13.872  -2.229  -5.469
  808    HA   GLN 115           HA       GLN 115 -15.366  -0.118  -6.548
  809    HB2  GLN 115           HB2      GLN 115 -13.190   0.218  -5.501
  810    HB3  GLN 115           HB1      GLN 115 -12.410  -0.706  -6.777
  811    HG2  GLN 115           HG2      GLN 115 -12.960   0.978  -8.400
  812    HG3  GLN 115           HG1      GLN 115 -13.898   1.875  -7.206
  813   HE21  GLN 115          HE21      GLN 115 -12.849   3.074  -5.653
  814   HE22  GLN 115          HE22      GLN 115 -11.162   3.440  -5.742
  815    H    ALA 116           HN       ALA 116 -13.536  -2.704  -8.107
  816    HA   ALA 116           HA       ALA 116 -14.334  -1.752 -10.751
  817    HB1  ALA 116           HB1      ALA 116 -12.026  -2.495 -10.455
  818    HB2  ALA 116           HB2      ALA 116 -12.877  -3.518 -11.610
  819    HB3  ALA 116           HB3      ALA 116 -12.593  -4.092  -9.967
  820    H    THR 117           HN       THR 117 -16.089  -3.014  -8.599
  821    HA   THR 117           HA       THR 117 -17.383  -4.989 -10.353
  822    HB   THR 117           HB       THR 117 -17.307  -5.234  -7.339
  823    HG1  THR 117           HG1      THR 117 -15.700  -6.552  -9.302
  824   HG21  THR 117          HG21      THR 117 -18.060  -7.206  -9.505
  825   HG22  THR 117          HG22      THR 117 -19.192  -6.333  -8.472
  826   HG23  THR 117          HG23      THR 117 -18.086  -7.512  -7.766
  827    HA   PRO 118           HA       PRO 118 -20.000  -1.285  -9.748
  828    HB2  PRO 118           HB2      PRO 118 -21.943  -2.320 -11.499
  829    HB3  PRO 118           HB1      PRO 118 -20.647  -1.195 -11.906
  830    HG2  PRO 118           HG2      PRO 118 -20.767  -4.153 -12.246
  831    HG3  PRO 118           HG1      PRO 118 -20.001  -2.929 -13.276
  832    HD2  PRO 118           HD2      PRO 118 -18.538  -4.489 -11.686
  833    HD3  PRO 118           HD1      PRO 118 -18.127  -2.775 -11.908
  834    HA   PRO 119           HA       PRO 119 -23.156  -3.167  -7.131
  835    HB2  PRO 119           HB2      PRO 119 -22.643  -1.582  -4.981
  836    HB3  PRO 119           HB1      PRO 119 -21.735  -3.058  -5.316
  837    HG2  PRO 119           HG2      PRO 119 -20.836  -0.299  -5.446
  838    HG3  PRO 119           HG1      PRO 119 -19.880  -1.784  -5.572
  839    HD2  PRO 119           HD2      PRO 119 -20.916  -0.047  -7.706
  840    HD3  PRO 119           HD1      PRO 119 -19.633  -1.275  -7.774
  841    HA   PRO 120           HA       PRO 120 -25.276   0.665  -8.490
  842    HB2  PRO 120           HB2      PRO 120 -27.322  -0.749  -9.781
  843    HB3  PRO 120           HB1      PRO 120 -25.864  -0.101 -10.530
  844    HG2  PRO 120           HG2      PRO 120 -26.544  -2.829 -10.205
  845    HG3  PRO 120           HG1      PRO 120 -25.003  -2.172 -10.774
  846    HD2  PRO 120           HD2      PRO 120 -25.754  -3.184  -8.090
  847    HD3  PRO 120           HD1      PRO 120 -24.167  -3.154  -8.888
  848    H    GLU 121           HN       GLU 121 -25.913  -1.297  -6.060
  849    HA   GLU 121           HA       GLU 121 -27.412  -1.352  -4.353
  850    HB2  GLU 121           HB2      GLU 121 -28.392   1.202  -5.645
  851    HB3  GLU 121           HB1      GLU 121 -28.892   0.628  -4.060
  852    HG2  GLU 121           HG2      GLU 121 -26.677   0.887  -3.195
  853    HG3  GLU 121           HG1      GLU 121 -26.044   1.252  -4.801
  854    H    ILE 122           HN       ILE 122 -30.125  -0.718  -4.192
  855    HA   ILE 122           HA       ILE 122 -31.534  -1.734  -6.463
  856    HB   ILE 122           HB       ILE 122 -30.760  -3.869  -5.707
  857   HG12  ILE 122          HG12      ILE 122 -32.903  -4.993  -5.103
  858   HG13  ILE 122          HG11      ILE 122 -33.623  -3.405  -4.856
  859   HG21  ILE 122          HG21      ILE 122 -31.131  -4.727  -3.460
  860   HG22  ILE 122          HG22      ILE 122 -31.839  -3.183  -2.980
  861   HG23  ILE 122          HG23      ILE 122 -30.134  -3.272  -3.430
  862   HD11  ILE 122          HD11      ILE 122 -32.504  -4.453  -7.443
  863   HD12  ILE 122          HD12      ILE 122 -33.225  -2.862  -7.198
  864   HD13  ILE 122          HD13      ILE 122 -34.213  -4.313  -7.026
  865    HA   PRO 123           HA       PRO 123 -34.442   0.807  -4.155
  866    HB2  PRO 123           HB2      PRO 123 -36.027   0.714  -6.601
  867    HB3  PRO 123           HB1      PRO 123 -35.247   2.100  -5.836
  868    HG2  PRO 123           HG2      PRO 123 -34.397   1.064  -8.189
  869    HG3  PRO 123           HG1      PRO 123 -33.298   1.828  -7.026
  870    HD2  PRO 123           HD2      PRO 123 -33.824  -1.087  -7.501
  871    HD3  PRO 123           HD1      PRO 123 -32.277  -0.249  -7.244
  Start of MODEL    7
    1    H1   ALA   1           HT1      ALA   1  -0.695  11.697  -6.635
    2    H2   ALA   1           HT2      ALA   1  -1.932  12.674  -6.009
    3    H3   ALA   1           HT3      ALA   1  -1.919  12.270  -7.654
    4    HA   ALA   1           HA       ALA   1  -2.300   9.955  -7.152
    5    HB1  ALA   1           HB1      ALA   1  -2.613   9.169  -4.939
    6    HB2  ALA   1           HB2      ALA   1  -2.520  10.803  -4.275
    7    HB3  ALA   1           HB3      ALA   1  -1.084  10.049  -4.973
    8    HA   PRO   2           HA       PRO   2  -6.521  11.259  -7.494
    9    HB2  PRO   2           HB2      PRO   2  -7.125   8.460  -7.898
   10    HB3  PRO   2           HB1      PRO   2  -7.195   9.789  -9.040
   11    HG2  PRO   2           HG2      PRO   2  -5.344   7.848  -9.263
   12    HG3  PRO   2           HG1      PRO   2  -4.979   9.535  -9.682
   13    HD2  PRO   2           HD2      PRO   2  -4.391   8.079  -7.122
   14    HD3  PRO   2           HD1      PRO   2  -3.302   9.072  -8.117
   15    H    THR   3           HN       THR   3  -5.579   8.501  -5.529
   16    HA   THR   3           HA       THR   3  -7.821   9.096  -3.750
   17    HB   THR   3           HB       THR   3  -8.222   6.707  -3.393
   18    HG1  THR   3           HG1      THR   3  -7.132   5.576  -5.486
   19   HG21  THR   3          HG21      THR   3  -9.276   6.221  -5.581
   20   HG22  THR   3          HG22      THR   3  -8.385   7.576  -6.288
   21   HG23  THR   3          HG23      THR   3  -9.593   7.866  -5.031
   22    H    LEU   4           HN       LEU   4  -7.492   7.853  -1.585
   23    HA   LEU   4           HA       LEU   4  -5.159   9.014  -0.548
   24    HB2  LEU   4           HB2      LEU   4  -7.183   8.853   0.755
   25    HB3  LEU   4           HB1      LEU   4  -7.109   7.101   0.712
   26    HG   LEU   4           HG       LEU   4  -4.934   7.274   1.990
   27   HD11  LEU   4          HD11      LEU   4  -4.658   9.432   3.232
   28   HD12  LEU   4          HD12      LEU   4  -5.860  10.132   2.142
   29   HD13  LEU   4          HD13      LEU   4  -4.329   9.527   1.497
   30   HD21  LEU   4          HD21      LEU   4  -7.413   8.371   3.308
   31   HD22  LEU   4          HD22      LEU   4  -6.024   7.661   4.134
   32   HD23  LEU   4          HD23      LEU   4  -7.026   6.665   3.080
   33    H    GLN   5           HN       GLN   5  -5.877   5.686  -1.454
   34    HA   GLN   5           HA       GLN   5  -3.558   4.573  -0.250
   35    HB2  GLN   5           HB2      GLN   5  -5.643   3.332  -0.918
   36    HB3  GLN   5           HB1      GLN   5  -5.086   3.442  -2.580
   37    HG2  GLN   5           HG2      GLN   5  -3.261   2.299  -0.536
   38    HG3  GLN   5           HG1      GLN   5  -4.610   1.325  -1.105
   39   HE21  GLN   5          HE21      GLN   5  -1.738   0.913  -1.428
   40   HE22  GLN   5          HE22      GLN   5  -1.455   0.837  -3.130
   41    H    GLU   6           HN       GLU   6  -4.184   6.020  -3.414
   42    HA   GLU   6           HA       GLU   6  -1.607   5.272  -4.434
   43    HB2  GLU   6           HB2      GLU   6  -3.458   5.757  -5.988
   44    HB3  GLU   6           HB1      GLU   6  -3.472   7.424  -5.431
   45    HG2  GLU   6           HG2      GLU   6  -1.696   7.992  -6.631
   46    HG3  GLU   6           HG1      GLU   6  -0.875   6.466  -6.367
   47    H    ALA   7           HN       ALA   7  -2.889   7.837  -2.506
   48    HA   ALA   7           HA       ALA   7  -0.674   9.619  -2.698
   49    HB1  ALA   7           HB1      ALA   7  -2.770  10.350  -1.705
   50    HB2  ALA   7           HB2      ALA   7  -1.470  10.483  -0.518
   51    HB3  ALA   7           HB3      ALA   7  -2.617   9.145  -0.422
   52    H    LEU   8           HN       LEU   8  -1.368   6.724  -0.895
   53    HA   LEU   8           HA       LEU   8   0.971   6.704   0.678
   54    HB2  LEU   8           HB2      LEU   8  -0.767   4.496  -0.315
   55    HB3  LEU   8           HB1      LEU   8   0.558   4.257   0.799
   56    HG   LEU   8           HG       LEU   8  -2.049   5.621   1.251
   57   HD11  LEU   8          HD11      LEU   8  -0.464   3.571   2.785
   58   HD12  LEU   8          HD12      LEU   8  -1.791   3.216   1.679
   59   HD13  LEU   8          HD13      LEU   8  -2.097   4.126   3.156
   60   HD21  LEU   8          HD21      LEU   8  -0.545   7.233   2.091
   61   HD22  LEU   8          HD22      LEU   8   0.503   5.990   2.777
   62   HD23  LEU   8          HD23      LEU   8  -1.086   6.284   3.479
   63    H    ASP   9           HN       ASP   9   0.132   5.138  -2.366
   64    HA   ASP   9           HA       ASP   9   2.533   3.955  -3.088
   65    HB2  ASP   9           HB2      ASP   9   0.499   3.571  -4.320
   66    HB3  ASP   9           HB1      ASP   9   0.324   5.277  -4.704
   67    H    ARG  10           HN       ARG  10   1.488   7.261  -3.173
   68    HA   ARG  10           HA       ARG  10   3.629   8.324  -4.752
   69    HB2  ARG  10           HB2      ARG  10   1.258   9.181  -4.479
   70    HB3  ARG  10           HB1      ARG  10   1.708   9.714  -2.871
   71    HG2  ARG  10           HG2      ARG  10   3.092  11.376  -3.690
   72    HG3  ARG  10           HG1      ARG  10   3.173  10.655  -5.304
   73    HD2  ARG  10           HD2      ARG  10   0.745  11.066  -5.533
   74    HD3  ARG  10           HD1      ARG  10   0.764  11.895  -3.984
   75    HE   ARG  10           HE       ARG  10   2.149  12.834  -6.420
   76   HH11  ARG  10          HH11      ARG  10   0.610  13.433  -3.323
   77   HH12  ARG  10          HH12      ARG  10   0.763  15.163  -3.433
   78   HH21  ARG  10          HH21      ARG  10   2.311  15.120  -6.582
   79   HH22  ARG  10          HH22      ARG  10   1.745  16.125  -5.278
   80    H    LYS  11           HN       LYS  11   2.914   7.975  -1.327
   81    HA   LYS  11           HA       LYS  11   5.219   9.302  -0.318
   82    HB2  LYS  11           HB2      LYS  11   3.205   8.828   1.013
   83    HB3  LYS  11           HB1      LYS  11   3.562   7.117   0.895
   84    HG2  LYS  11           HG2      LYS  11   4.263   8.095   3.033
   85    HG3  LYS  11           HG1      LYS  11   5.592   7.397   2.124
   86    HD2  LYS  11           HD2      LYS  11   6.302   9.480   3.051
   87    HD3  LYS  11           HD1      LYS  11   6.176   9.634   1.298
   88    HE2  LYS  11           HE2      LYS  11   4.285  10.915   1.414
   89    HE3  LYS  11           HE1      LYS  11   3.866  10.342   3.013
   90    HZ1  LYS  11           HZ1      LYS  11   5.918  11.557   3.797
   91    HZ2  LYS  11           HZ2      LYS  11   4.607  12.518   3.325
   92    HZ3  LYS  11           HZ3      LYS  11   5.929  12.330   2.284
   93    H    CYS  12           HN       CYS  12   4.324   6.023  -1.047
   94    HA   CYS  12           HA       CYS  12   6.639   4.636  -0.484
   95    HB2  CYS  12           HB2      CYS  12   4.500   4.230  -2.563
   96    HB3  CYS  12           HB1      CYS  12   5.738   3.040  -2.240
   97    HG   CYS  12           HG       CYS  12   3.344   4.124  -0.080
   98    H    ALA  13           HN       ALA  13   5.818   6.562  -3.289
   99    HA   ALA  13           HA       ALA  13   8.023   5.725  -4.893
  100    HB1  ALA  13           HB1      ALA  13   6.251   6.636  -6.094
  101    HB2  ALA  13           HB2      ALA  13   7.441   7.938  -6.099
  102    HB3  ALA  13           HB3      ALA  13   6.059   8.003  -4.993
  103    H    GLN  14           HN       GLN  14   7.534   8.027  -2.367
  104    HA   GLN  14           HA       GLN  14   9.748   9.719  -2.945
  105    HB2  GLN  14           HB2      GLN  14   8.015   9.347  -0.529
  106    HB3  GLN  14           HB1      GLN  14   9.328  10.521  -0.589
  107    HG2  GLN  14           HG2      GLN  14   8.254  11.538  -2.561
  108    HG3  GLN  14           HG1      GLN  14   6.907  10.427  -2.357
  109   HE21  GLN  14          HE21      GLN  14   8.679  11.913   0.274
  110   HE22  GLN  14          HE22      GLN  14   7.380  12.918   0.837
  111    H    PHE  15           HN       PHE  15   9.261   6.836  -1.087
  112    HA   PHE  15           HA       PHE  15  11.947   7.017   0.070
  113    HB2  PHE  15           HB2      PHE  15   9.795   4.956   0.558
  114    HB3  PHE  15           HB1      PHE  15  11.294   5.131   1.463
  115    HD1  PHE  15           HD2      PHE  15  11.567   7.783   2.229
  116    HD2  PHE  15           HD1      PHE  15   7.969   5.590   1.709
  117    HE1  PHE  15           HE2      PHE  15  10.416   9.319   3.764
  118    HE2  PHE  15           HE1      PHE  15   6.808   7.117   3.226
  119    HZ   PHE  15           HZ       PHE  15   8.031   8.982   4.259
  120    H    GLY  16           HN       GLY  16   9.937   4.739  -1.773
  121    HA2  GLY  16           HA2      GLY  16  11.837   2.744  -2.184
  122    HA3  GLY  16           HA1      GLY  16  10.468   3.074  -3.229
  123    H    LYS  17           HN       LYS  17  10.855   5.251  -4.503
  124    HA   LYS  17           HA       LYS  17  12.945   4.477  -6.271
  125    HB2  LYS  17           HB2      LYS  17  11.283   6.970  -6.447
  126    HB3  LYS  17           HB1      LYS  17  12.082   6.091  -7.746
  127    HG2  LYS  17           HG2      LYS  17   9.763   5.086  -6.120
  128    HG3  LYS  17           HG1      LYS  17   9.675   5.731  -7.752
  129    HD2  LYS  17           HD2      LYS  17  11.338   3.891  -8.382
  130    HD3  LYS  17           HD1      LYS  17  10.949   3.170  -6.815
  131    HE2  LYS  17           HE2      LYS  17   9.570   2.182  -8.526
  132    HE3  LYS  17           HE1      LYS  17   8.569   3.157  -7.452
  133    HZ1  LYS  17           HZ1      LYS  17   9.602   4.098 -10.075
  134    HZ2  LYS  17           HZ2      LYS  17   8.482   4.891  -9.073
  135    HZ3  LYS  17           HZ3      LYS  17   8.054   3.444  -9.842
  136    H    GLU  18           HN       GLU  18  12.606   6.825  -3.737
  137    HA   GLU  18           HA       GLU  18  14.860   8.403  -4.213
  138    HB2  GLU  18           HB2      GLU  18  13.476   8.921  -2.351
  139    HB3  GLU  18           HB1      GLU  18  13.684   7.323  -1.646
  140    HG2  GLU  18           HG2      GLU  18  16.108   7.893  -1.336
  141    HG3  GLU  18           HG1      GLU  18  15.719   9.535  -1.850
  142    H    SER  19           HN       SER  19  14.573   5.261  -2.606
  143    HA   SER  19           HA       SER  19  17.295   4.721  -2.273
  144    HB2  SER  19           HB2      SER  19  15.094   2.736  -2.838
  145    HB3  SER  19           HB1      SER  19  16.633   2.414  -2.029
  146    HG   SER  19           HG       SER  19  14.480   4.017  -1.088
  147    H    CYS  20           HN       CYS  20  15.104   4.141  -4.957
  148    HA   CYS  20           HA       CYS  20  16.877   2.805  -6.664
  149    HB2  CYS  20           HB2      CYS  20  14.908   2.678  -7.722
  150    HB3  CYS  20           HB1      CYS  20  14.267   4.041  -6.824
  151    HG   CYS  20           HG       CYS  20  16.138   4.296  -9.690
  152    H    ASN  21           HN       ASN  21  16.341   6.246  -6.087
  153    HA   ASN  21           HA       ASN  21  18.108   7.160  -8.128
  154    HB2  ASN  21           HB2      ASN  21  16.753   8.416  -5.781
  155    HB3  ASN  21           HB1      ASN  21  18.085   9.269  -6.552
  156   HD21  ASN  21          HD21      ASN  21  14.845   8.063  -6.947
  157   HD22  ASN  21          HD22      ASN  21  14.473   8.970  -8.375
  158    H    SER  22           HN       SER  22  18.520   6.106  -4.853
  159    HA   SER  22           HA       SER  22  21.166   7.149  -4.553
  160    HB2  SER  22           HB2      SER  22  19.751   6.756  -2.612
  161    HB3  SER  22           HB1      SER  22  19.698   5.032  -2.976
  162    HG   SER  22           HG       SER  22  22.251   5.847  -2.867
  163    H    GLY  23           HN       GLY  23  19.785   4.334  -5.988
  164    HA2  GLY  23           HA2      GLY  23  21.533   3.355  -7.577
  165    HA3  GLY  23           HA1      GLY  23  22.447   3.067  -6.106
  166    H    LEU  24           HN       LEU  24  19.251   2.664  -5.343
  167    HA   LEU  24           HA       LEU  24  19.508  -0.179  -5.239
  168    HB2  LEU  24           HB2      LEU  24  17.740   1.806  -4.137
  169    HB3  LEU  24           HB1      LEU  24  16.810   0.495  -4.833
  170    HG   LEU  24           HG       LEU  24  17.464   0.342  -2.353
  171   HD11  LEU  24          HD11      LEU  24  17.764  -2.091  -2.521
  172   HD12  LEU  24          HD12      LEU  24  18.016  -1.918  -4.258
  173   HD13  LEU  24          HD13      LEU  24  16.460  -1.489  -3.544
  174   HD21  LEU  24          HD21      LEU  24  19.800   0.935  -2.587
  175   HD22  LEU  24          HD22      LEU  24  20.062  -0.446  -3.658
  176   HD23  LEU  24          HD23      LEU  24  19.652  -0.708  -1.959
  177    H    ALA  25           HN       ALA  25  19.611  -1.128  -7.105
  178    HA   ALA  25           HA       ALA  25  18.380  -0.490  -9.509
  179    HB1  ALA  25           HB1      ALA  25  19.106  -3.228  -8.516
  180    HB2  ALA  25           HB2      ALA  25  20.235  -2.073  -9.235
  181    HB3  ALA  25           HB3      ALA  25  18.915  -2.734 -10.199
  182    H    SER  26           HN       SER  26  17.215  -2.284  -6.796
  183    HA   SER  26           HA       SER  26  15.123  -3.705  -7.822
  184    HB2  SER  26           HB2      SER  26  15.384  -2.330  -5.222
  185    HB3  SER  26           HB1      SER  26  14.201  -3.585  -5.559
  186    HG   SER  26           HG       SER  26  15.896  -5.031  -5.882
  187    H    TYR  27           HN       TYR  27  14.789  -0.473  -6.294
  188    HA   TYR  27           HA       TYR  27  12.078  -0.217  -7.172
  189    HB2  TYR  27           HB2      TYR  27  13.813   2.083  -6.227
  190    HB3  TYR  27           HB1      TYR  27  12.066   1.896  -6.110
  191    HD1  TYR  27           HD2      TYR  27  11.150   0.074  -4.614
  192    HD2  TYR  27           HD1      TYR  27  15.202   1.387  -4.449
  193    HE1  TYR  27           HE2      TYR  27  11.371  -0.947  -2.399
  194    HE2  TYR  27           HE1      TYR  27  15.439   0.333  -2.235
  195    HH   TYR  27           HH       TYR  27  13.934  -0.319  -0.328
  196    H    CYS  28           HN       CYS  28  15.098   0.303  -8.612
  197    HA   CYS  28           HA       CYS  28  14.314   2.358 -10.439
  198    HB2  CYS  28           HB2      CYS  28  16.682   1.892  -9.679
  199    HB3  CYS  28           HB1      CYS  28  16.641   0.454 -10.688
  200    HG   CYS  28           HG       CYS  28  16.818   1.628 -13.037
  201    H    GLY  29           HN       GLY  29  12.783   1.931 -11.905
  202    HA2  GLY  29           HA2      GLY  29  11.964   0.903 -13.859
  203    HA3  GLY  29           HA1      GLY  29  13.018  -0.471 -13.551
  204    H    ALA  30           HN       ALA  30  11.365   0.561 -10.815
  205    HA   ALA  30           HA       ALA  30   9.464  -1.670 -11.070
  206    HB1  ALA  30           HB1      ALA  30  11.078  -2.134  -9.377
  207    HB2  ALA  30           HB2      ALA  30   9.556  -1.731  -8.577
  208    HB3  ALA  30           HB3      ALA  30  10.857  -0.539  -8.656
  209    H    ALA  31           HN       ALA  31   7.480  -1.431  -9.834
  210    HA   ALA  31           HA       ALA  31   6.497   1.333  -9.653
  211    HB1  ALA  31           HB1      ALA  31   5.275   0.010 -11.244
  212    HB2  ALA  31           HB2      ALA  31   4.264   0.294  -9.827
  213    HB3  ALA  31           HB3      ALA  31   5.052  -1.276 -10.051
  214    H    ILE  32           HN       ILE  32   6.441   2.029  -7.499
  215    HA   ILE  32           HA       ILE  32   6.416  -0.147  -5.543
  216    HB   ILE  32           HB       ILE  32   8.378   1.357  -5.393
  217   HG12  ILE  32          HG12      ILE  32   6.746   1.822  -2.935
  218   HG13  ILE  32          HG11      ILE  32   7.072   0.166  -3.429
  219   HG21  ILE  32          HG21      ILE  32   7.203   3.407  -6.087
  220   HG22  ILE  32          HG22      ILE  32   8.141   3.607  -4.604
  221   HG23  ILE  32          HG23      ILE  32   6.386   3.433  -4.521
  222   HD11  ILE  32          HD11      ILE  32   9.163   2.255  -2.922
  223   HD12  ILE  32          HD12      ILE  32   9.438   0.548  -3.311
  224   HD13  ILE  32          HD13      ILE  32   8.668   1.000  -1.782
  225    H    TYR  33           HN       TYR  33   4.871  -0.444  -4.187
  226    HA   TYR  33           HA       TYR  33   2.638   1.478  -4.193
  227    HB2  TYR  33           HB2      TYR  33   2.477  -1.536  -3.993
  228    HB3  TYR  33           HB1      TYR  33   1.125  -0.418  -4.065
  229    HD1  TYR  33           HD1      TYR  33   0.623   0.784  -6.170
  230    HD2  TYR  33           HD2      TYR  33   3.605  -2.240  -5.950
  231    HE1  TYR  33           HE1      TYR  33   0.579   0.559  -8.623
  232    HE2  TYR  33           HE2      TYR  33   3.585  -2.461  -8.385
  233    HH   TYR  33           HH       TYR  33   2.166  -2.045 -10.259
  234    H    ALA  34           HN       ALA  34   1.340   1.502  -2.304
  235    HA   ALA  34           HA       ALA  34   2.787   0.901   0.137
  236    HB1  ALA  34           HB1      ALA  34   1.416   3.027  -0.363
  237    HB2  ALA  34           HB2      ALA  34   1.283   2.272   1.232
  238    HB3  ALA  34           HB3      ALA  34   0.016   2.012   0.026
  239    H    ARG  35           HN       ARG  35   2.563  -1.033   1.070
  240    HA   ARG  35           HA       ARG  35  -0.130  -2.165   1.052
  241    HB2  ARG  35           HB2      ARG  35   1.740  -3.246  -0.580
  242    HB3  ARG  35           HB1      ARG  35   2.076  -4.144   0.893
  243    HG2  ARG  35           HG2      ARG  35   0.504  -5.342  -0.497
  244    HG3  ARG  35           HG1      ARG  35  -0.264  -4.832   1.007
  245    HD2  ARG  35           HD2      ARG  35  -1.759  -4.432  -0.853
  246    HD3  ARG  35           HD1      ARG  35  -1.230  -2.891  -0.178
  247    HE   ARG  35           HE       ARG  35   0.544  -3.352  -2.168
  248   HH11  ARG  35          HH11      ARG  35  -2.951  -3.348  -2.095
  249   HH12  ARG  35          HH12      ARG  35  -3.106  -2.783  -3.729
  250   HH21  ARG  35          HH21      ARG  35   0.321  -2.569  -4.319
  251   HH22  ARG  35          HH22      ARG  35  -1.272  -2.350  -4.982
  252    H    TYR  36           HN       TYR  36  -0.775  -2.293   3.009
  253    HA   TYR  36           HA       TYR  36   0.927  -2.474   5.309
  254    HB2  TYR  36           HB2      TYR  36  -1.435  -1.450   5.131
  255    HB3  TYR  36           HB1      TYR  36  -2.031  -3.106   5.166
  256    HD1  TYR  36           HD1      TYR  36  -0.005  -0.668   7.053
  257    HD2  TYR  36           HD2      TYR  36  -2.354  -4.198   7.220
  258    HE1  TYR  36           HE1      TYR  36   0.103  -0.586   9.495
  259    HE2  TYR  36           HE2      TYR  36  -2.272  -4.149   9.664
  260    HH   TYR  36           HH       TYR  36  -0.807  -3.187  11.461
  261    H    ASP  37           HN       ASP  37   2.163  -4.355   4.839
  262    HA   ASP  37           HA       ASP  37   0.831  -6.888   5.340
  263    HB2  ASP  37           HB2      ASP  37   1.068  -6.315   2.699
  264    HB3  ASP  37           HB1      ASP  37   2.684  -6.971   2.991
  265    H    LYS  38           HN       LYS  38   2.919  -8.576   4.726
  266    HA   LYS  38           HA       LYS  38   4.737  -7.969   6.875
  267    HB2  LYS  38           HB2      LYS  38   4.371 -10.278   5.001
  268    HB3  LYS  38           HB1      LYS  38   5.781 -10.177   6.035
  269    HG2  LYS  38           HG2      LYS  38   4.451 -10.289   7.997
  270    HG3  LYS  38           HG1      LYS  38   2.964 -10.116   7.067
  271    HD2  LYS  38           HD2      LYS  38   3.967 -12.477   7.900
  272    HD3  LYS  38           HD1      LYS  38   2.932 -12.295   6.482
  273    HE2  LYS  38           HE2      LYS  38   4.728 -13.601   5.731
  274    HE3  LYS  38           HE1      LYS  38   5.100 -11.974   5.168
  275    HZ1  LYS  38           HZ1      LYS  38   6.645 -11.707   6.979
  276    HZ2  LYS  38           HZ2      LYS  38   7.025 -13.122   6.131
  277    HZ3  LYS  38           HZ3      LYS  38   6.225 -13.220   7.620
  278    H    GLY  39           HN       GLY  39   7.001  -7.994   6.686
  279    HA2  GLY  39           HA2      GLY  39   7.990  -6.917   4.141
  280    HA3  GLY  39           HA1      GLY  39   8.812  -6.807   5.698
  281    H    ASN  40           HN       ASN  40  10.675  -7.898   5.470
  282    HA   ASN  40           HA       ASN  40  10.953 -10.229   3.875
  283    HB2  ASN  40           HB2      ASN  40  12.839  -8.720   4.439
  284    HB3  ASN  40           HB1      ASN  40  12.719  -9.196   6.127
  285   HD21  ASN  40          HD21      ASN  40  14.844  -9.925   6.132
  286   HD22  ASN  40          HD22      ASN  40  15.314 -11.392   5.352
  287    H    SER  41           HN       SER  41  12.026 -12.267   5.227
  288    HA   SER  41           HA       SER  41   9.913 -13.741   6.074
  289    HB2  SER  41           HB2      SER  41  12.706 -14.107   7.157
  290    HB3  SER  41           HB1      SER  41  11.482 -15.351   6.907
  291    HG   SER  41           HG       SER  41  12.024 -15.461   4.884
  292    H    SER  42           HN       SER  42  12.329 -12.608   8.461
  293    HA   SER  42           HA       SER  42  10.588 -13.206  10.646
  294    HB2  SER  42           HB2      SER  42  13.100 -11.542  10.768
  295    HB3  SER  42           HB1      SER  42  12.403 -12.561  12.030
  296    HG   SER  42           HG       SER  42  13.466 -14.186  11.241
  297    H    GLN  43           HN       GLN  43  10.726 -10.671   8.534
  298    HA   GLN  43           HA       GLN  43   9.993  -8.559  10.382
  299    HB2  GLN  43           HB2      GLN  43  10.399  -8.602   7.393
  300    HB3  GLN  43           HB1      GLN  43   9.867  -7.177   8.276
  301    HG2  GLN  43           HG2      GLN  43  12.440  -8.641   8.808
  302    HG3  GLN  43           HG1      GLN  43  12.291  -7.214   7.782
  303   HE21  GLN  43          HE21      GLN  43  12.270  -8.422  11.038
  304   HE22  GLN  43          HE22      GLN  43  12.319  -6.882  11.819
  305    H    GLN  44           HN       GLN  44   8.248 -10.856  10.113
  306    HA   GLN  44           HA       GLN  44   5.972 -10.370   8.566
  307    HB2  GLN  44           HB2      GLN  44   4.827 -11.899  10.061
  308    HB3  GLN  44           HB1      GLN  44   6.426 -12.490   9.650
  309    HG2  GLN  44           HG2      GLN  44   7.239 -11.740  11.822
  310    HG3  GLN  44           HG1      GLN  44   5.628 -11.127  12.186
  311   HE21  GLN  44          HE21      GLN  44   6.204 -14.148  10.499
  312   HE22  GLN  44          HE22      GLN  44   5.635 -15.173  11.766
  313    H    THR  45           HN       THR  45   3.876 -10.419  10.593
  314    HA   THR  45           HA       THR  45   2.327  -8.993  11.329
  315    HB   THR  45           HB       THR  45   3.009  -7.137  12.874
  316    HG1  THR  45           HG1      THR  45   5.439  -7.635  11.849
  317   HG21  THR  45          HG21      THR  45   4.064  -9.898  13.474
  318   HG22  THR  45          HG22      THR  45   2.412  -9.327  13.717
  319   HG23  THR  45          HG23      THR  45   3.728  -8.648  14.672
  320    H    LYS  46           HN       LYS  46   1.192  -7.885   9.958
  321    HA   LYS  46           HA       LYS  46   2.342  -6.364   7.894
  322    HB2  LYS  46           HB2      LYS  46  -0.483  -6.183   8.881
  323    HB3  LYS  46           HB1      LYS  46   0.111  -5.616   7.342
  324    HG2  LYS  46           HG2      LYS  46   0.812  -8.109   7.022
  325    HG3  LYS  46           HG1      LYS  46  -0.429  -8.388   8.249
  326    HD2  LYS  46           HD2      LYS  46  -1.972  -6.966   6.824
  327    HD3  LYS  46           HD1      LYS  46  -0.734  -7.050   5.576
  328    HE2  LYS  46           HE2      LYS  46  -0.857  -9.514   5.651
  329    HE3  LYS  46           HE1      LYS  46  -2.181  -9.373   6.797
  330    HZ1  LYS  46           HZ1      LYS  46  -2.216  -8.230   4.063
  331    HZ2  LYS  46           HZ2      LYS  46  -3.515  -8.284   5.150
  332    HZ3  LYS  46           HZ3      LYS  46  -2.911  -9.712   4.479
  333    H    GLU  47           HN       GLU  47   3.108  -4.423   7.889
  334    HA   GLU  47           HA       GLU  47   1.670  -2.311   9.301
  335    HB2  GLU  47           HB2      GLU  47   4.670  -2.639   9.424
  336    HB3  GLU  47           HB1      GLU  47   3.805  -1.185   9.906
  337    HG2  GLU  47           HG2      GLU  47   2.700  -2.375  11.676
  338    HG3  GLU  47           HG1      GLU  47   3.372  -3.895  11.115
  339    H    TRP  48           HN       TRP  48   1.994  -0.239   8.266
  340    HA   TRP  48           HA       TRP  48   1.949  -0.409   5.494
  341    HB2  TRP  48           HB2      TRP  48   2.330   1.891   7.370
  342    HB3  TRP  48           HB1      TRP  48   2.431   2.102   5.629
  343    HD1  TRP  48           HD1      TRP  48   0.027   2.382   8.299
  344    HE1  TRP  48           HE1      TRP  48  -2.390   2.331   7.373
  345    HE3  TRP  48           HE3      TRP  48   0.984   0.567   3.632
  346    HZ2  TRP  48           HZ2      TRP  48  -3.705   1.579   4.992
  347    HZ3  TRP  48           HZ3      TRP  48  -0.894   0.203   2.090
  348    HH2  TRP  48           HH2      TRP  48  -3.196   0.695   2.764
  349    H    ARG  49           HN       ARG  49   3.570  -0.979   4.246
  350    HA   ARG  49           HA       ARG  49   6.120   0.382   4.658
  351    HB2  ARG  49           HB2      ARG  49   5.731  -2.587   4.212
  352    HB3  ARG  49           HB1      ARG  49   7.280  -1.766   4.060
  353    HG2  ARG  49           HG2      ARG  49   7.489  -1.429   6.308
  354    HG3  ARG  49           HG1      ARG  49   5.753  -1.444   6.598
  355    HD2  ARG  49           HD2      ARG  49   5.858  -3.915   5.970
  356    HD3  ARG  49           HD1      ARG  49   7.605  -3.758   6.145
  357    HE   ARG  49           HE       ARG  49   6.337  -2.735   8.438
  358   HH11  ARG  49          HH11      ARG  49   6.902  -5.748   6.818
  359   HH12  ARG  49          HH12      ARG  49   6.923  -6.694   8.275
  360   HH21  ARG  49          HH21      ARG  49   6.326  -3.973  10.401
  361   HH22  ARG  49          HH22      ARG  49   6.571  -5.689  10.294
  362    H    CYS  50           HN       CYS  50   7.467   0.252   2.664
  363    HA   CYS  50           HA       CYS  50   5.645   0.614   0.402
  364    HB2  CYS  50           HB2      CYS  50   8.544   1.469   0.675
  365    HB3  CYS  50           HB1      CYS  50   7.402   1.969  -0.578
  366    HG   CYS  50           HG       CYS  50   5.716   3.134   1.556
  367    H    TYR  51           HN       TYR  51   5.554  -0.889  -1.051
  368    HA   TYR  51           HA       TYR  51   7.792  -2.786  -1.325
  369    HB2  TYR  51           HB2      TYR  51   4.834  -3.390  -1.533
  370    HB3  TYR  51           HB1      TYR  51   6.131  -4.550  -1.749
  371    HD1  TYR  51           HD1      TYR  51   7.880  -4.003   0.462
  372    HD2  TYR  51           HD2      TYR  51   3.645  -4.033   0.333
  373    HE1  TYR  51           HE1      TYR  51   7.819  -4.540   2.866
  374    HE2  TYR  51           HE2      TYR  51   3.559  -4.566   2.730
  375    HH   TYR  51           HH       TYR  51   6.239  -4.297   4.756
  376    H    ILE  52           HN       ILE  52   8.630  -2.577  -3.322
  377    HA   ILE  52           HA       ILE  52   7.115  -1.454  -5.443
  378    HB   ILE  52           HB       ILE  52   9.022  -2.527  -6.864
  379   HG12  ILE  52          HG12      ILE  52  10.242  -2.499  -4.138
  380   HG13  ILE  52          HG11      ILE  52   9.879  -3.956  -5.072
  381   HG21  ILE  52          HG21      ILE  52   9.656  -0.340  -4.908
  382   HG22  ILE  52          HG22      ILE  52   8.649  -0.120  -6.345
  383   HG23  ILE  52          HG23      ILE  52  10.346  -0.572  -6.516
  384   HD11  ILE  52          HD11      ILE  52  12.231  -3.293  -5.260
  385   HD12  ILE  52          HD12      ILE  52  11.720  -1.743  -5.941
  386   HD13  ILE  52          HD13      ILE  52  11.394  -3.246  -6.810
  387    H    GLU  53           HN       GLU  53   6.388  -2.480  -7.301
  388    HA   GLU  53           HA       GLU  53   4.675  -4.568  -6.926
  389    HB2  GLU  53           HB2      GLU  53   4.488  -2.999  -8.750
  390    HB3  GLU  53           HB1      GLU  53   5.946  -3.628  -9.498
  391    HG2  GLU  53           HG2      GLU  53   4.857  -5.760  -9.867
  392    HG3  GLU  53           HG1      GLU  53   3.401  -5.168  -9.046
  393    H    LYS  54           HN       LYS  54   8.020  -4.680  -7.691
  394    HA   LYS  54           HA       LYS  54   8.411  -7.243  -8.625
  395    HB2  LYS  54           HB2      LYS  54   9.949  -5.166  -7.351
  396    HB3  LYS  54           HB1      LYS  54  10.437  -6.727  -6.708
  397    HG2  LYS  54           HG2      LYS  54  10.488  -7.368  -9.272
  398    HG3  LYS  54           HG1      LYS  54  10.693  -5.626  -9.460
  399    HD2  LYS  54           HD2      LYS  54  12.882  -6.212  -9.243
  400    HD3  LYS  54           HD1      LYS  54  12.482  -6.024  -7.535
  401    HE2  LYS  54           HE2      LYS  54  12.586  -8.592  -9.106
  402    HE3  LYS  54           HE1      LYS  54  13.703  -8.080  -7.844
  403    HZ1  LYS  54           HZ1      LYS  54  12.196  -9.654  -6.923
  404    HZ2  LYS  54           HZ2      LYS  54  10.851  -8.828  -7.530
  405    HZ3  LYS  54           HZ3      LYS  54  11.772  -8.135  -6.283
  406    H    GLU  55           HN       GLU  55   7.804  -6.090  -5.365
  407    HA   GLU  55           HA       GLU  55   8.465  -8.684  -4.226
  408    HB2  GLU  55           HB2      GLU  55   7.876  -6.121  -2.789
  409    HB3  GLU  55           HB1      GLU  55   8.701  -7.533  -2.165
  410    HG2  GLU  55           HG2      GLU  55   9.727  -5.808  -4.399
  411    HG3  GLU  55           HG1      GLU  55  10.215  -5.648  -2.714
  412    H    LEU  56           HN       LEU  56   5.666  -6.791  -4.971
  413    HA   LEU  56           HA       LEU  56   3.961  -8.124  -3.076
  414    HB2  LEU  56           HB2      LEU  56   3.382  -6.388  -5.463
  415    HB3  LEU  56           HB1      LEU  56   2.131  -7.180  -4.553
  416    HG   LEU  56           HG       LEU  56   2.916  -5.882  -2.505
  417   HD11  LEU  56          HD11      LEU  56   4.262  -3.904  -2.983
  418   HD12  LEU  56          HD12      LEU  56   4.431  -4.397  -4.668
  419   HD13  LEU  56          HD13      LEU  56   5.157  -5.369  -3.388
  420   HD21  LEU  56          HD21      LEU  56   0.948  -5.235  -3.720
  421   HD22  LEU  56          HD22      LEU  56   1.913  -4.463  -4.984
  422   HD23  LEU  56          HD23      LEU  56   1.880  -3.781  -3.352
  423    H    ASP  57           HN       ASP  57   2.006  -9.195  -3.942
  424    HA   ASP  57           HA       ASP  57   2.418 -10.657  -6.456
  425    HB2  ASP  57           HB2      ASP  57   2.845 -12.161  -4.480
  426    HB3  ASP  57           HB1      ASP  57   1.203 -11.835  -3.943
  427    H    PHE  58           HN       PHE  58   0.781 -10.235  -7.800
  428    HA   PHE  58           HA       PHE  58  -1.654  -9.022  -6.740
  429    HB2  PHE  58           HB2      PHE  58  -0.512  -9.343  -9.501
  430    HB3  PHE  58           HB1      PHE  58  -2.201  -8.899  -9.266
  431    HD1  PHE  58           HD1      PHE  58   1.246  -7.871  -8.294
  432    HD2  PHE  58           HD2      PHE  58  -2.791  -6.706  -8.942
  433    HE1  PHE  58           HE1      PHE  58   1.893  -5.512  -8.019
  434    HE2  PHE  58           HE2      PHE  58  -2.152  -4.340  -8.678
  435    HZ   PHE  58           HZ       PHE  58   0.191  -3.741  -8.212
  436    H    SER  59           HN       SER  59  -0.610 -12.045  -6.988
  437    HA   SER  59           HA       SER  59  -3.126 -13.252  -7.786
  438    HB2  SER  59           HB2      SER  59  -0.796 -14.577  -6.441
  439    HB3  SER  59           HB1      SER  59  -2.052 -15.339  -7.402
  440    HG   SER  59           HG       SER  59   0.107 -13.724  -8.244
  441    H    LYS  60           HN       LYS  60  -1.684 -11.758  -5.221
  442    HA   LYS  60           HA       LYS  60  -3.549 -12.856  -3.244
  443    HB2  LYS  60           HB2      LYS  60  -0.881 -11.643  -3.117
  444    HB3  LYS  60           HB1      LYS  60  -2.032 -10.967  -1.992
  445    HG2  LYS  60           HG2      LYS  60  -1.155 -12.610  -0.701
  446    HG3  LYS  60           HG1      LYS  60  -2.498 -13.483  -1.427
  447    HD2  LYS  60           HD2      LYS  60   0.219 -13.494  -2.688
  448    HD3  LYS  60           HD1      LYS  60  -0.172 -14.595  -1.368
  449    HE2  LYS  60           HE2      LYS  60  -2.015 -15.515  -2.666
  450    HE3  LYS  60           HE1      LYS  60  -1.674 -14.383  -3.975
  451    HZ1  LYS  60           HZ1      LYS  60   0.193 -16.471  -2.989
  452    HZ2  LYS  60           HZ2      LYS  60   0.480 -15.400  -4.277
  453    HZ3  LYS  60           HZ3      LYS  60  -0.738 -16.574  -4.402
  454    H    SER  61           HN       SER  61  -5.387 -11.682  -2.948
  455    HA   SER  61           HA       SER  61  -5.477  -8.962  -3.896
  456    HB2  SER  61           HB2      SER  61  -7.558 -10.408  -2.249
  457    HB3  SER  61           HB1      SER  61  -7.768  -8.950  -3.222
  458    HG   SER  61           HG       SER  61  -8.474 -10.520  -4.539
  459    H    GLY  62           HN       GLY  62  -5.095  -7.208  -2.717
  460    HA2  GLY  62           HA2      GLY  62  -3.730  -7.707  -0.225
  461    HA3  GLY  62           HA1      GLY  62  -3.749  -6.200  -1.126
  462    H    ASP  63           HN       ASP  63  -5.191  -8.067   1.364
  463    HA   ASP  63           HA       ASP  63  -7.255  -6.161   2.008
  464    HB2  ASP  63           HB2      ASP  63  -7.476  -7.498   4.079
  465    HB3  ASP  63           HB1      ASP  63  -7.433  -8.543   2.661
  466    H    GLY  64           HN       GLY  64  -4.437  -5.320   1.694
  467    HA2  GLY  64           HA2      GLY  64  -3.949  -4.177   4.368
  468    HA3  GLY  64           HA1      GLY  64  -2.636  -4.859   3.411
  469    H    CYS  65           HN       CYS  65  -5.314  -3.101   2.090
  470    HA   CYS  65           HA       CYS  65  -3.528  -0.839   1.436
  471    HB2  CYS  65           HB2      CYS  65  -6.182  -1.418   0.118
  472    HB3  CYS  65           HB1      CYS  65  -4.827  -0.476  -0.505
  473    HG   CYS  65           HG       CYS  65  -5.260  -3.842  -0.475
  474    H    VAL  66           HN       VAL  66  -4.924   1.221   1.252
  475    HA   VAL  66           HA       VAL  66  -7.048   1.198   3.288
  476    HB   VAL  66           HB       VAL  66  -5.386   2.476   4.325
  477   HG11  VAL  66          HG11      VAL  66  -4.813   3.759   1.662
  478   HG12  VAL  66          HG12      VAL  66  -3.826   2.532   2.466
  479   HG13  VAL  66          HG13      VAL  66  -3.998   4.138   3.182
  480   HG21  VAL  66          HG21      VAL  66  -7.580   3.702   4.006
  481   HG22  VAL  66          HG22      VAL  66  -6.717   4.680   2.812
  482   HG23  VAL  66          HG23      VAL  66  -6.175   4.656   4.498
  483    H    ASP  67           HN       ASP  67  -8.825   2.538   2.786
  484    HA   ASP  67           HA       ASP  67  -9.207   2.732  -0.090
  485    HB2  ASP  67           HB2      ASP  67 -11.533   2.958   0.333
  486    HB3  ASP  67           HB1      ASP  67 -10.950   1.737   1.456
  487    H    ASP  68           HN       ASP  68 -11.113   5.039   0.151
  488    HA   ASP  68           HA       ASP  68  -9.065   7.042  -0.134
  489    HB2  ASP  68           HB2      ASP  68 -10.868   8.672  -0.537
  490    HB3  ASP  68           HB1      ASP  68 -10.978   7.269  -1.590
  491    H    CYS  69           HN       CYS  69 -11.244   6.009   2.369
  492    HA   CYS  69           HA       CYS  69 -10.146   8.129   4.114
  493    HB2  CYS  69           HB2      CYS  69 -12.625   7.627   4.160
  494    HB3  CYS  69           HB1      CYS  69 -12.236   6.014   4.740
  495    HG   CYS  69           HG       CYS  69 -13.129   7.405   6.939
  496    H    GLY  70           HN       GLY  70  -9.252   7.271   6.262
  497    HA2  GLY  70           HA2      GLY  70  -7.399   5.153   5.699
  498    HA3  GLY  70           HA1      GLY  70  -7.572   6.005   7.230
  499    H    SER  71           HN       SER  71  -9.194   3.671   5.182
  500    HA   SER  71           HA       SER  71  -9.500   1.898   7.493
  501    HB2  SER  71           HB2      SER  71 -11.724   2.820   7.067
  502    HB3  SER  71           HB1      SER  71 -11.573   2.466   5.346
  503    HG   SER  71           HG       SER  71 -12.242   0.525   5.730
  504    H    MET  72           HN       MET  72  -8.740  -0.140   7.025
  505    HA   MET  72           HA       MET  72  -7.271  -0.402   4.632
  506    HB2  MET  72           HB2      MET  72  -7.995  -2.682   6.442
  507    HB3  MET  72           HB1      MET  72  -6.619  -2.538   5.356
  508    HG2  MET  72           HG2      MET  72  -5.912  -0.564   6.801
  509    HG3  MET  72           HG1      MET  72  -7.080  -1.160   7.968
  510    HE1  MET  72           HE1      MET  72  -6.829  -4.344   7.426
  511    HE2  MET  72           HE2      MET  72  -6.986  -3.623   9.028
  512    HE3  MET  72           HE3      MET  72  -5.686  -4.770   8.701
  513    H    THR  73           HN       THR  73  -8.022  -0.721   2.755
  514    HA   THR  73           HA       THR  73 -10.460  -2.287   2.358
  515    HB   THR  73           HB       THR  73 -10.427   0.056   1.466
  516    HG1  THR  73           HG1      THR  73 -10.681  -1.159  -0.896
  517   HG21  THR  73          HG21      THR  73  -9.116   0.553  -0.512
  518   HG22  THR  73          HG22      THR  73  -8.400  -1.064  -0.476
  519   HG23  THR  73          HG23      THR  73  -8.040   0.086   0.812
  520    H    SER  74           HN       SER  74 -10.467  -3.747   0.479
  521    HA   SER  74           HA       SER  74  -7.909  -5.064   0.243
  522    HB2  SER  74           HB2      SER  74 -10.014  -6.330   0.850
  523    HB3  SER  74           HB1      SER  74 -10.520  -6.047  -0.806
  524    HG   SER  74           HG       SER  74  -8.935  -7.957   0.094
  525    H    CYS  75           HN       CYS  75  -6.793  -5.141  -1.541
  526    HA   CYS  75           HA       CYS  75  -7.858  -4.658  -4.167
  527    HB2  CYS  75           HB2      CYS  75  -7.675  -2.341  -3.401
  528    HB3  CYS  75           HB1      CYS  75  -5.997  -2.609  -2.960
  529    HG   CYS  75           HG       CYS  75  -5.628  -1.202  -5.196
  530    H    ARG  76           HN       ARG  76  -6.495  -5.433  -5.761
  531    HA   ARG  76           HA       ARG  76  -4.962  -7.564  -4.768
  532    HB2  ARG  76           HB2      ARG  76  -5.546  -6.574  -7.506
  533    HB3  ARG  76           HB1      ARG  76  -4.333  -7.810  -7.249
  534    HG2  ARG  76           HG2      ARG  76  -6.365  -8.923  -7.675
  535    HG3  ARG  76           HG1      ARG  76  -5.999  -9.101  -5.967
  536    HD2  ARG  76           HD2      ARG  76  -8.228  -8.545  -5.967
  537    HD3  ARG  76           HD1      ARG  76  -7.380  -7.049  -5.638
  538    HE   ARG  76           HE       ARG  76  -7.690  -6.511  -8.047
  539   HH11  ARG  76          HH11      ARG  76  -9.909  -8.702  -6.426
  540   HH12  ARG  76          HH12      ARG  76 -11.232  -8.319  -7.484
  541   HH21  ARG  76          HH21      ARG  76  -9.431  -6.015  -9.418
  542   HH22  ARG  76          HH22      ARG  76 -10.979  -6.780  -9.157
  543    H    GLY  77           HN       GLY  77  -3.040  -7.648  -4.091
  544    HA2  GLY  77           HA2      GLY  77  -0.668  -7.152  -5.100
  545    HA3  GLY  77           HA1      GLY  77  -1.116  -5.519  -4.629
  546    H    SER  78           HN       SER  78   0.279  -8.380  -3.562
  547    HA   SER  78           HA       SER  78   0.635  -7.272  -0.954
  548    HB2  SER  78           HB2      SER  78  -1.363  -9.450  -1.400
  549    HB3  SER  78           HB1      SER  78  -0.381  -9.507   0.060
  550    HG   SER  78           HG       SER  78  -1.708  -7.144  -0.687
  551    H    VAL  79           HN       VAL  79   2.201  -8.152   0.206
  552    HA   VAL  79           HA       VAL  79   4.218  -9.371  -1.283
  553    HB   VAL  79           HB       VAL  79   3.951  -8.843   1.664
  554   HG11  VAL  79          HG11      VAL  79   6.410  -9.708   0.129
  555   HG12  VAL  79          HG12      VAL  79   5.540 -10.686   1.313
  556   HG13  VAL  79          HG13      VAL  79   6.374  -9.217   1.822
  557   HG21  VAL  79          HG21      VAL  79   3.991  -6.886   0.206
  558   HG22  VAL  79          HG22      VAL  79   5.504  -7.448  -0.509
  559   HG23  VAL  79          HG23      VAL  79   5.450  -6.986   1.193
  560    H    SER  80           HN       SER  80   4.085 -11.405  -1.968
  561    HA   SER  80           HA       SER  80   2.765 -13.453  -0.443
  562    HB2  SER  80           HB2      SER  80   2.586 -13.379  -2.872
  563    HB3  SER  80           HB1      SER  80   4.322 -13.634  -3.018
  564    HG   SER  80           HG       SER  80   4.033 -15.670  -2.011
  565    H    GLY  81           HN       GLY  81   4.001 -13.706   1.431
  566    HA2  GLY  81           HA2      GLY  81   5.672 -14.990   2.540
  567    HA3  GLY  81           HA1      GLY  81   6.601 -15.005   1.046
  568    HA   PRO  82           HA       PRO  82   8.810 -11.830   3.405
  569    HB2  PRO  82           HB2      PRO  82  11.184 -12.534   2.428
  570    HB3  PRO  82           HB1      PRO  82  10.457 -13.330   3.824
  571    HG2  PRO  82           HG2      PRO  82  10.464 -14.204   0.956
  572    HG3  PRO  82           HG1      PRO  82  10.802 -15.149   2.415
  573    HD2  PRO  82           HD2      PRO  82   8.426 -15.217   1.170
  574    HD3  PRO  82           HD1      PRO  82   8.575 -15.361   2.932
  575    H    SER  83           HN       SER  83   9.299  -9.852   2.631
  576    HA   SER  83           HA       SER  83   9.740  -9.579  -0.264
  577    HB2  SER  83           HB2      SER  83   9.052  -7.167   0.165
  578    HB3  SER  83           HB1      SER  83   7.774  -8.367   0.272
  579    HG   SER  83           HG       SER  83   7.553  -7.939   2.324
  580    H    THR  84           HN       THR  84  11.490  -8.451  -0.984
  581    HA   THR  84           HA       THR  84  13.548  -7.906   1.041
  582    HB   THR  84           HB       THR  84  14.669  -7.830  -1.548
  583    HG1  THR  84           HG1      THR  84  12.700  -8.978  -2.176
  584   HG21  THR  84          HG21      THR  84  15.812  -8.584   0.457
  585   HG22  THR  84          HG22      THR  84  15.839  -9.866  -0.755
  586   HG23  THR  84          HG23      THR  84  14.712  -9.954   0.601
  587    H    SER  85           HN       SER  85  12.421  -6.662  -2.090
  588    HA   SER  85           HA       SER  85  13.754  -4.145  -1.712
  589    HB2  SER  85           HB2      SER  85  11.680  -4.914  -3.809
  590    HB3  SER  85           HB1      SER  85  12.854  -3.590  -3.894
  591    HG   SER  85           HG       SER  85  13.167  -6.236  -4.464
  592    H    HIS  86           HN       HIS  86  12.844  -3.316   0.218
  593    HA   HIS  86           HA       HIS  86  10.225  -2.142  -0.061
  594    HB2  HIS  86           HB2      HIS  86   9.153  -3.252   1.737
  595    HB3  HIS  86           HB1      HIS  86   9.805  -4.507   0.696
  596    HD1  HIS  86           HD1      HIS  86  12.376  -5.318   1.642
  597    HD2  HIS  86           HD2      HIS  86   9.646  -3.711   4.336
  598    HE1  HIS  86           HE1      HIS  86  13.134  -6.086   3.913
  599    HE2  HIS  86           HE2      HIS  86  11.639  -4.859   5.531
  600    H    LEU  87           HN       LEU  87   9.620  -0.785   1.740
  601    HA   LEU  87           HA       LEU  87  11.793  -0.056   3.583
  602    HB2  LEU  87           HB2      LEU  87  10.096   1.858   1.982
  603    HB3  LEU  87           HB1      LEU  87  11.152   2.344   3.293
  604    HG   LEU  87           HG       LEU  87  12.877   0.982   1.656
  605   HD11  LEU  87          HD11      LEU  87  11.220   0.669  -0.066
  606   HD12  LEU  87          HD12      LEU  87  12.458   1.797  -0.619
  607   HD13  LEU  87          HD13      LEU  87  10.885   2.401  -0.095
  608   HD21  LEU  87          HD21      LEU  87  13.686   3.192   0.994
  609   HD22  LEU  87          HD22      LEU  87  13.281   3.137   2.711
  610   HD23  LEU  87          HD23      LEU  87  12.184   3.912   1.570
  611    H    THR  88           HN       THR  88  11.010  -0.325   5.608
  612    HA   THR  88           HA       THR  88   8.180  -0.298   6.126
  613    HB   THR  88           HB       THR  88  10.337  -0.174   8.212
  614    HG1  THR  88           HG1      THR  88  10.788  -2.231   7.850
  615   HG21  THR  88          HG21      THR  88   7.545  -1.264   8.232
  616   HG22  THR  88          HG22      THR  88   8.121   0.176   9.072
  617   HG23  THR  88          HG23      THR  88   8.697  -1.424   9.556
  618    H    ARG  89           HN       ARG  89   7.484   1.765   5.502
  619    HA   ARG  89           HA       ARG  89   8.163   3.810   7.522
  620    HB2  ARG  89           HB2      ARG  89   7.125   4.303   4.724
  621    HB3  ARG  89           HB1      ARG  89   7.692   5.505   5.867
  622    HG2  ARG  89           HG2      ARG  89   9.523   3.368   4.887
  623    HG3  ARG  89           HG1      ARG  89   9.220   4.814   3.923
  624    HD2  ARG  89           HD2      ARG  89   9.822   6.129   6.012
  625    HD3  ARG  89           HD1      ARG  89  10.442   4.609   6.654
  626    HE   ARG  89           HE       ARG  89  11.484   5.394   4.068
  627   HH11  ARG  89          HH11      ARG  89  11.941   5.340   7.540
  628   HH12  ARG  89          HH12      ARG  89  13.617   5.792   7.446
  629   HH21  ARG  89          HH21      ARG  89  13.703   6.000   3.950
  630   HH22  ARG  89          HH22      ARG  89  14.609   6.169   5.431
  631    HA   PRO  90           HA       PRO  90   3.666   2.575   7.617
  632    HB2  PRO  90           HB2      PRO  90   3.924   1.811  10.367
  633    HB3  PRO  90           HB1      PRO  90   3.544   0.791   8.998
  634    HG2  PRO  90           HG2      PRO  90   5.899   0.653  10.425
  635    HG3  PRO  90           HG1      PRO  90   5.684   0.097   8.760
  636    HD2  PRO  90           HD2      PRO  90   6.948   2.589   9.766
  637    HD3  PRO  90           HD1      PRO  90   7.354   1.599   8.372
  638    H    SER  91           HN       SER  91   5.678   4.289   9.869
  639    HA   SER  91           HA       SER  91   3.691   5.904  11.070
  640    HB2  SER  91           HB2      SER  91   6.537   6.755  10.569
  641    HB3  SER  91           HB1      SER  91   5.514   7.109  11.966
  642    HG   SER  91           HG       SER  91   5.687   4.943  12.594
  643    H    GLU  92           HN       GLU  92   5.389   5.955   8.059
  644    HA   GLU  92           HA       GLU  92   4.734   8.734   7.527
  645    HB2  GLU  92           HB2      GLU  92   6.700   6.818   6.588
  646    HB3  GLU  92           HB1      GLU  92   5.948   7.698   5.258
  647    HG2  GLU  92           HG2      GLU  92   7.274   8.938   7.662
  648    HG3  GLU  92           HG1      GLU  92   7.991   8.781   6.058
  649    H    LEU  93           HN       LEU  93   3.964   5.504   6.225
  650    HA   LEU  93           HA       LEU  93   2.287   6.402   4.150
  651    HB2  LEU  93           HB2      LEU  93   2.516   3.857   5.677
  652    HB3  LEU  93           HB1      LEU  93   1.079   4.110   4.716
  653    HG   LEU  93           HG       LEU  93   2.495   2.852   3.348
  654   HD11  LEU  93          HD11      LEU  93   3.082   4.320   1.502
  655   HD12  LEU  93          HD12      LEU  93   2.947   5.723   2.562
  656   HD13  LEU  93          HD13      LEU  93   1.517   4.760   2.188
  657   HD21  LEU  93          HD21      LEU  93   4.747   4.728   4.041
  658   HD22  LEU  93          HD22      LEU  93   4.832   3.395   2.889
  659   HD23  LEU  93          HD23      LEU  93   4.559   3.066   4.602
  660    H    GLN  94           HN       GLN  94   1.538   5.583   7.529
  661    HA   GLN  94           HA       GLN  94  -1.274   6.015   7.185
  662    HB2  GLN  94           HB2      GLN  94   0.378   4.899   9.164
  663    HB3  GLN  94           HB1      GLN  94  -0.392   6.278   9.926
  664    HG2  GLN  94           HG2      GLN  94  -1.847   4.090   8.465
  665    HG3  GLN  94           HG1      GLN  94  -1.650   4.176  10.214
  666   HE21  GLN  94          HE21      GLN  94  -3.997   4.302   8.312
  667   HE22  GLN  94          HE22      GLN  94  -4.885   5.690   8.821
  668    H    ALA  95           HN       ALA  95   1.432   7.976   7.668
  669    HA   ALA  95           HA       ALA  95   0.229  10.235   8.873
  670    HB1  ALA  95           HB1      ALA  95   2.692   9.749   8.644
  671    HB2  ALA  95           HB2      ALA  95   2.177  11.399   8.283
  672    HB3  ALA  95           HB3      ALA  95   2.536  10.279   6.965
  673    H    VAL  96           HN       VAL  96   0.822   9.308   5.490
  674    HA   VAL  96           HA       VAL  96  -0.400  11.708   4.537
  675    HB   VAL  96           HB       VAL  96   0.789  11.247   2.706
  676   HG11  VAL  96          HG11      VAL  96   1.062   8.387   3.581
  677   HG12  VAL  96          HG12      VAL  96   2.137   9.702   4.058
  678   HG13  VAL  96          HG13      VAL  96   2.034   9.216   2.357
  679   HG21  VAL  96          HG21      VAL  96  -0.987   8.845   2.341
  680   HG22  VAL  96          HG22      VAL  96  -0.069   9.675   1.082
  681   HG23  VAL  96          HG23      VAL  96  -1.417  10.499   1.884
  682    H    ILE  97           HN       ILE  97  -1.382   8.474   5.328
  683    HA   ILE  97           HA       ILE  97  -3.928   8.523   4.148
  684    HB   ILE  97           HB       ILE  97  -2.817   7.229   6.606
  685   HG12  ILE  97          HG12      ILE  97  -4.213   5.788   4.417
  686   HG13  ILE  97          HG11      ILE  97  -2.651   6.516   4.048
  687   HG21  ILE  97          HG21      ILE  97  -4.950   6.092   6.949
  688   HG22  ILE  97          HG22      ILE  97  -5.688   7.114   5.710
  689   HG23  ILE  97          HG23      ILE  97  -5.082   7.832   7.204
  690   HD11  ILE  97          HD11      ILE  97  -2.518   4.156   4.735
  691   HD12  ILE  97          HD12      ILE  97  -3.147   4.615   6.317
  692   HD13  ILE  97          HD13      ILE  97  -1.592   5.243   5.766
  693    H    ASP  98           HN       ASP  98  -2.964   9.294   7.457
  694    HA   ASP  98           HA       ASP  98  -5.211  10.703   8.256
  695    HB2  ASP  98           HB2      ASP  98  -3.503  10.065   9.822
  696    HB3  ASP  98           HB1      ASP  98  -2.292  11.041   8.993
  697    H    SER  99           HN       SER  99  -2.363  11.900   6.506
  698    HA   SER  99           HA       SER  99  -3.145  14.648   6.640
  699    HB2  SER  99           HB2      SER  99  -0.824  14.124   6.508
  700    HB3  SER  99           HB1      SER  99  -1.043  13.222   5.010
  701    HG   SER  99           HG       SER  99  -0.933  15.026   3.930
  702    H    ASP 100           HN       ASP 100  -2.877  12.401   3.852
  703    HA   ASP 100           HA       ASP 100  -4.143  14.237   2.086
  704    HB2  ASP 100           HB2      ASP 100  -2.850  11.715   1.895
  705    HB3  ASP 100           HB1      ASP 100  -4.256  11.757   0.920
  706    H    LYS 101           HN       LYS 101  -5.442  12.076   4.373
  707    HA   LYS 101           HA       LYS 101  -7.894  11.429   3.259
  708    HB2  LYS 101           HB2      LYS 101  -6.804  11.793   5.917
  709    HB3  LYS 101           HB1      LYS 101  -8.493  12.295   5.843
  710    HG2  LYS 101           HG2      LYS 101  -9.232  10.199   5.571
  711    HG3  LYS 101           HG1      LYS 101  -7.843   9.700   4.605
  712    HD2  LYS 101           HD2      LYS 101  -7.854   8.541   6.734
  713    HD3  LYS 101           HD1      LYS 101  -6.502   9.665   6.661
  714    HE2  LYS 101           HE2      LYS 101  -7.422   9.947   8.797
  715    HE3  LYS 101           HE1      LYS 101  -7.993  11.315   7.843
  716    HZ1  LYS 101           HZ1      LYS 101  -9.593   8.863   8.284
  717    HZ2  LYS 101           HZ2      LYS 101 -10.116  10.337   7.626
  718    HZ3  LYS 101           HZ3      LYS 101  -9.701  10.240   9.264
  719    H    SER 102           HN       SER 102  -6.633  14.546   4.160
  720    HA   SER 102           HA       SER 102  -9.069  16.001   4.091
  721    HB2  SER 102           HB2      SER 102  -6.296  16.999   3.388
  722    HB3  SER 102           HB1      SER 102  -7.672  17.973   3.910
  723    HG   SER 102           HG       SER 102  -5.997  16.291   5.397
  724    H    ASN 103           HN       ASN 103  -6.851  14.826   1.688
  725    HA   ASN 103           HA       ASN 103  -8.053  16.190  -0.550
  726    HB2  ASN 103           HB2      ASN 103  -5.606  15.290  -0.296
  727    HB3  ASN 103           HB1      ASN 103  -6.322  13.747  -0.741
  728   HD21  ASN 103          HD21      ASN 103  -4.354  15.178  -2.192
  729   HD22  ASN 103          HD22      ASN 103  -5.026  15.557  -3.743
  730    H    TYR 104           HN       TYR 104  -8.062  12.972   0.874
  731    HA   TYR 104           HA       TYR 104 -10.564  12.355  -0.524
  732    HB2  TYR 104           HB2      TYR 104  -8.937   9.984  -0.274
  733    HB3  TYR 104           HB1      TYR 104  -9.704  10.636  -1.712
  734    HD1  TYR 104           HD2      TYR 104  -6.688  11.088   0.420
  735    HD2  TYR 104           HD1      TYR 104  -8.353  11.369  -3.492
  736    HE1  TYR 104           HE2      TYR 104  -4.474  11.654  -0.458
  737    HE2  TYR 104           HE1      TYR 104  -6.146  11.929  -4.399
  738    HH   TYR 104           HH       TYR 104  -3.277  11.513  -2.655
  739    H    CYS 105           HN       CYS 105 -11.939  11.908   1.079
  740    HA   CYS 105           HA       CYS 105 -11.441   9.699   2.757
  741    HB2  CYS 105           HB2      CYS 105 -10.326  10.999   4.289
  742    HB3  CYS 105           HB1      CYS 105 -11.282  12.434   3.941
  743    HG   CYS 105           HG       CYS 105 -13.060   9.955   5.327
  744    H    THR 106           HN       THR 106 -13.232   8.705   3.294
  745    HA   THR 106           HA       THR 106 -15.784  10.012   2.730
  746    HB   THR 106           HB       THR 106 -16.509   7.509   3.117
  747    HG1  THR 106           HG1      THR 106 -13.882   7.072   2.139
  748   HG21  THR 106          HG21      THR 106 -15.002   8.429   0.684
  749   HG22  THR 106          HG22      THR 106 -16.722   8.677   1.008
  750   HG23  THR 106          HG23      THR 106 -16.100   7.047   0.757
  751    H    ASP 107           HN       ASP 107 -17.448  10.082   4.233
  752    HA   ASP 107           HA       ASP 107 -16.774   9.523   7.019
  753    HB2  ASP 107           HB2      ASP 107 -17.927  11.621   6.574
  754    HB3  ASP 107           HB1      ASP 107 -19.226  10.767   5.749
  755    H    LYS 108           HN       LYS 108 -18.773   8.360   4.407
  756    HA   LYS 108           HA       LYS 108 -19.988   6.263   5.973
  757    HB2  LYS 108           HB2      LYS 108 -21.054   7.288   3.948
  758    HB3  LYS 108           HB1      LYS 108 -19.797   6.548   2.981
  759    HG2  LYS 108           HG2      LYS 108 -21.461   4.815   4.730
  760    HG3  LYS 108           HG1      LYS 108 -22.148   5.433   3.232
  761    HD2  LYS 108           HD2      LYS 108 -20.233   4.448   1.997
  762    HD3  LYS 108           HD1      LYS 108 -19.650   3.741   3.506
  763    HE2  LYS 108           HE2      LYS 108 -20.869   2.043   2.387
  764    HE3  LYS 108           HE1      LYS 108 -21.889   2.609   3.707
  765    HZ1  LYS 108           HZ1      LYS 108 -23.263   2.406   1.814
  766    HZ2  LYS 108           HZ2      LYS 108 -22.161   3.221   0.818
  767    HZ3  LYS 108           HZ3      LYS 108 -23.007   4.074   2.015
  768    H    SER 109           HN       SER 109 -17.273   6.715   3.836
  769    HA   SER 109           HA       SER 109 -15.605   5.380   3.099
  770    HB2  SER 109           HB2      SER 109 -14.866   5.710   5.346
  771    HB3  SER 109           HB1      SER 109 -15.871   4.387   5.935
  772    HG   SER 109           HG       SER 109 -13.664   4.162   4.133
  773    H    GLU 110           HN       GLU 110 -17.120   4.473   1.620
  774    HA   GLU 110           HA       GLU 110 -18.425   2.020   2.231
  775    HB2  GLU 110           HB2      GLU 110 -18.986   2.013  -0.201
  776    HB3  GLU 110           HB1      GLU 110 -19.470   3.470   0.653
  777    HG2  GLU 110           HG2      GLU 110 -17.321   4.506  -0.199
  778    HG3  GLU 110           HG1      GLU 110 -17.196   3.109  -1.268
  779    H    GLN 111           HN       GLN 111 -15.382   2.966   0.947
  780    HA   GLN 111           HA       GLN 111 -13.621   1.897   0.000
  781    HB2  GLN 111           HB2      GLN 111 -12.738   0.111   1.422
  782    HB3  GLN 111           HB1      GLN 111 -13.380   1.428   2.376
  783    HG2  GLN 111           HG2      GLN 111 -15.409   0.159   2.812
  784    HG3  GLN 111           HG1      GLN 111 -14.780  -1.181   1.857
  785   HE21  GLN 111          HE21      GLN 111 -14.975  -2.539   3.646
  786   HE22  GLN 111          HE22      GLN 111 -13.842  -2.486   4.958
  787    H    GLN 112           HN       GLN 112 -13.203  -1.080  -0.009
  788    HA   GLN 112           HA       GLN 112 -14.901  -1.599  -2.334
  789    HB2  GLN 112           HB2      GLN 112 -12.428  -3.047  -1.390
  790    HB3  GLN 112           HB1      GLN 112 -13.383  -3.523  -2.786
  791    HG2  GLN 112           HG2      GLN 112 -12.850  -0.829  -3.191
  792    HG3  GLN 112           HG1      GLN 112 -11.349  -1.493  -2.545
  793   HE21  GLN 112          HE21      GLN 112 -10.303  -3.168  -3.688
  794   HE22  GLN 112          HE22      GLN 112 -10.613  -3.441  -5.375
  795    HA   PRO 113           HA       PRO 113 -16.059  -5.387   0.307
  796    HB2  PRO 113           HB2      PRO 113 -14.788  -5.311   2.894
  797    HB3  PRO 113           HB1      PRO 113 -14.612  -6.522   1.625
  798    HG2  PRO 113           HG2      PRO 113 -12.611  -4.817   2.406
  799    HG3  PRO 113           HG1      PRO 113 -12.714  -5.563   0.801
  800    HD2  PRO 113           HD2      PRO 113 -13.481  -2.800   1.663
  801    HD3  PRO 113           HD1      PRO 113 -12.677  -3.335   0.171
  802    H    SER 114           HN       SER 114 -17.955  -5.428   1.444
  803    HA   SER 114           HA       SER 114 -19.067  -3.042   2.403
  804    HB2  SER 114           HB2      SER 114 -20.053  -5.779   3.193
  805    HB3  SER 114           HB1      SER 114 -20.994  -4.317   2.889
  806    HG   SER 114           HG       SER 114 -20.377  -6.247   1.180
  807    H    GLN 115           HN       GLN 115 -19.039  -5.889   4.439
  808    HA   GLN 115           HA       GLN 115 -17.352  -4.708   6.484
  809    HB2  GLN 115           HB2      GLN 115 -20.270  -5.393   6.940
  810    HB3  GLN 115           HB1      GLN 115 -19.107  -5.291   8.249
  811    HG2  GLN 115           HG2      GLN 115 -18.762  -2.952   7.832
  812    HG3  GLN 115           HG1      GLN 115 -19.770  -3.022   6.387
  813   HE21  GLN 115          HE21      GLN 115 -20.011  -1.431   8.858
  814   HE22  GLN 115          HE22      GLN 115 -21.601  -1.761   9.458
  815    H    ALA 116           HN       ALA 116 -19.844  -7.164   6.602
  816    HA   ALA 116           HA       ALA 116 -17.814  -9.280   6.393
  817    HB1  ALA 116           HB1      ALA 116 -20.593  -9.366   7.585
  818    HB2  ALA 116           HB2      ALA 116 -19.073  -9.390   8.480
  819    HB3  ALA 116           HB3      ALA 116 -19.505 -10.747   7.439
  820    H    THR 117           HN       THR 117 -19.272 -11.347   5.454
  821    HA   THR 117           HA       THR 117 -20.492 -10.284   2.994
  822    HB   THR 117           HB       THR 117 -19.788 -12.634   2.085
  823    HG1  THR 117           HG1      THR 117 -18.285 -13.671   3.219
  824   HG21  THR 117          HG21      THR 117 -17.771 -10.438   2.581
  825   HG22  THR 117          HG22      THR 117 -18.920 -10.509   1.245
  826   HG23  THR 117          HG23      THR 117 -17.630 -11.706   1.361
  827    HA   PRO 118           HA       PRO 118 -23.972 -12.480   5.100
  828    HB2  PRO 118           HB2      PRO 118 -25.415 -10.664   3.246
  829    HB3  PRO 118           HB1      PRO 118 -25.707 -10.993   4.957
  830    HG2  PRO 118           HG2      PRO 118 -24.589  -8.700   4.175
  831    HG3  PRO 118           HG1      PRO 118 -24.065  -9.516   5.659
  832    HD2  PRO 118           HD2      PRO 118 -22.741  -9.420   2.977
  833    HD3  PRO 118           HD1      PRO 118 -22.015  -9.360   4.597
  834    HA   PRO 119           HA       PRO 119 -25.129 -14.186   0.817
  835    HB2  PRO 119           HB2      PRO 119 -24.350 -12.986  -1.467
  836    HB3  PRO 119           HB1      PRO 119 -25.834 -12.531  -0.625
  837    HG2  PRO 119           HG2      PRO 119 -23.197 -11.157  -0.694
  838    HG3  PRO 119           HG1      PRO 119 -24.827 -10.464  -0.650
  839    HD2  PRO 119           HD2      PRO 119 -23.130 -10.716   1.532
  840    HD3  PRO 119           HD1      PRO 119 -24.887 -10.498   1.623
  841    HA   PRO 120           HA       PRO 120 -21.008 -15.861   0.851
  842    HB2  PRO 120           HB2      PRO 120 -21.683 -18.431   0.441
  843    HB3  PRO 120           HB1      PRO 120 -21.969 -17.620   1.985
  844    HG2  PRO 120           HG2      PRO 120 -23.884 -18.239  -0.218
  845    HG3  PRO 120           HG1      PRO 120 -24.133 -18.298   1.537
  846    HD2  PRO 120           HD2      PRO 120 -24.947 -16.230  -0.110
  847    HD3  PRO 120           HD1      PRO 120 -24.686 -16.089   1.639
  848    H    GLU 121           HN       GLU 121 -20.395 -14.767  -1.155
  849    HA   GLU 121           HA       GLU 121 -20.731 -16.099  -3.655
  850    HB2  GLU 121           HB2      GLU 121 -18.921 -13.932  -2.659
  851    HB3  GLU 121           HB1      GLU 121 -18.529 -14.737  -4.170
  852    HG2  GLU 121           HG2      GLU 121 -19.734 -12.824  -4.770
  853    HG3  GLU 121           HG1      GLU 121 -20.864 -14.163  -4.936
  854    H    ILE 122           HN       ILE 122 -20.323 -18.263  -2.988
  855    HA   ILE 122           HA       ILE 122 -17.890 -19.165  -1.921
  856    HB   ILE 122           HB       ILE 122 -19.803 -20.712  -3.679
  857   HG12  ILE 122          HG12      ILE 122 -20.943 -19.769  -1.731
  858   HG13  ILE 122          HG11      ILE 122 -20.778 -21.513  -1.561
  859   HG21  ILE 122          HG21      ILE 122 -17.616 -21.786  -3.470
  860   HG22  ILE 122          HG22      ILE 122 -18.865 -22.699  -2.625
  861   HG23  ILE 122          HG23      ILE 122 -17.739 -21.696  -1.711
  862   HD11  ILE 122          HD11      ILE 122 -18.917 -21.200  -0.033
  863   HD12  ILE 122          HD12      ILE 122 -20.350 -20.341   0.531
  864   HD13  ILE 122          HD13      ILE 122 -19.034 -19.452  -0.235
  865    HA   PRO 123           HA       PRO 123 -16.390 -20.030  -6.422
  866    HB2  PRO 123           HB2      PRO 123 -18.243 -18.607  -8.189
  867    HB3  PRO 123           HB1      PRO 123 -17.691 -20.282  -8.268
  868    HG2  PRO 123           HG2      PRO 123 -20.221 -19.638  -7.595
  869    HG3  PRO 123           HG1      PRO 123 -19.388 -21.043  -6.905
  870    HD2  PRO 123           HD2      PRO 123 -19.833 -18.332  -5.710
  871    HD3  PRO 123           HD1      PRO 123 -19.988 -19.932  -4.955
  Start of MODEL    8
    1    H1   ALA   1           HT1      ALA   1  -0.994  11.838  -6.676
    2    H2   ALA   1           HT2      ALA   1  -2.345  12.662  -6.064
    3    H3   ALA   1           HT3      ALA   1  -2.241  12.304  -7.721
    4    HA   ALA   1           HA       ALA   1  -2.450   9.982  -7.334
    5    HB1  ALA   1           HB1      ALA   1  -2.602   9.025  -5.164
    6    HB2  ALA   1           HB2      ALA   1  -2.618  10.617  -4.398
    7    HB3  ALA   1           HB3      ALA   1  -1.157  10.040  -5.199
    8    HA   PRO   2           HA       PRO   2  -6.745  10.881  -7.575
    9    HB2  PRO   2           HB2      PRO   2  -7.024   7.981  -7.802
   10    HB3  PRO   2           HB1      PRO   2  -7.447   9.245  -8.945
   11    HG2  PRO   2           HG2      PRO   2  -5.359   7.671  -9.435
   12    HG3  PRO   2           HG1      PRO   2  -5.244   9.415  -9.757
   13    HD2  PRO   2           HD2      PRO   2  -4.309   7.911  -7.334
   14    HD3  PRO   2           HD1      PRO   2  -3.399   9.057  -8.347
   15    H    THR   3           HN       THR   3  -5.557   8.283  -5.504
   16    HA   THR   3           HA       THR   3  -7.786   8.856  -3.705
   17    HB   THR   3           HB       THR   3  -7.914   6.440  -3.143
   18    HG1  THR   3           HG1      THR   3  -6.790   5.717  -5.585
   19   HG21  THR   3          HG21      THR   3  -9.583   7.428  -4.594
   20   HG22  THR   3          HG22      THR   3  -9.189   5.812  -5.183
   21   HG23  THR   3          HG23      THR   3  -8.528   7.238  -5.998
   22    H    LEU   4           HN       LEU   4  -7.378   7.643  -1.522
   23    HA   LEU   4           HA       LEU   4  -5.086   8.923  -0.521
   24    HB2  LEU   4           HB2      LEU   4  -7.092   8.715   0.804
   25    HB3  LEU   4           HB1      LEU   4  -6.948   6.971   0.799
   26    HG   LEU   4           HG       LEU   4  -4.773   7.252   2.040
   27   HD11  LEU   4          HD11      LEU   4  -4.267   9.514   1.423
   28   HD12  LEU   4          HD12      LEU   4  -4.517   9.461   3.177
   29   HD13  LEU   4          HD13      LEU   4  -5.787  10.084   2.121
   30   HD21  LEU   4          HD21      LEU   4  -7.295   8.301   3.321
   31   HD22  LEU   4          HD22      LEU   4  -5.860   7.758   4.190
   32   HD23  LEU   4          HD23      LEU   4  -6.788   6.615   3.222
   33    H    GLN   5           HN       GLN   5  -5.803   5.578  -1.289
   34    HA   GLN   5           HA       GLN   5  -3.449   4.451  -0.219
   35    HB2  GLN   5           HB2      GLN   5  -5.498   3.193  -0.840
   36    HB3  GLN   5           HB1      GLN   5  -5.108   3.454  -2.536
   37    HG2  GLN   5           HG2      GLN   5  -3.125   2.152  -0.735
   38    HG3  GLN   5           HG1      GLN   5  -4.474   1.230  -1.376
   39   HE21  GLN   5          HE21      GLN   5  -1.591   0.978  -1.861
   40   HE22  GLN   5          HE22      GLN   5  -1.369   1.160  -3.564
   41    H    GLU   6           HN       GLU   6  -4.192   5.886  -3.379
   42    HA   GLU   6           HA       GLU   6  -1.705   5.181  -4.568
   43    HB2  GLU   6           HB2      GLU   6  -3.794   5.913  -5.801
   44    HB3  GLU   6           HB1      GLU   6  -3.392   7.558  -5.325
   45    HG2  GLU   6           HG2      GLU   6  -2.335   7.601  -7.288
   46    HG3  GLU   6           HG1      GLU   6  -1.052   6.807  -6.390
   47    H    ALA   7           HN       ALA   7  -2.818   7.765  -2.530
   48    HA   ALA   7           HA       ALA   7  -0.599   9.524  -2.847
   49    HB1  ALA   7           HB1      ALA   7  -2.682  10.293  -1.854
   50    HB2  ALA   7           HB2      ALA   7  -1.352  10.495  -0.710
   51    HB3  ALA   7           HB3      ALA   7  -2.491   9.159  -0.512
   52    H    LEU   8           HN       LEU   8  -1.228   6.684  -0.950
   53    HA   LEU   8           HA       LEU   8   1.103   6.795   0.647
   54    HB2  LEU   8           HB2      LEU   8  -0.497   4.456  -0.303
   55    HB3  LEU   8           HB1      LEU   8   0.748   4.377   0.921
   56    HG   LEU   8           HG       LEU   8  -1.926   5.710   1.089
   57   HD11  LEU   8          HD11      LEU   8  -0.562   3.611   2.768
   58   HD12  LEU   8          HD12      LEU   8  -1.789   3.296   1.539
   59   HD13  LEU   8          HD13      LEU   8  -2.205   4.218   2.984
   60   HD21  LEU   8          HD21      LEU   8  -0.495   7.280   2.082
   61   HD22  LEU   8          HD22      LEU   8   0.493   6.020   2.822
   62   HD23  LEU   8          HD23      LEU   8  -1.140   6.315   3.415
   63    H    ASP   9           HN       ASP   9   0.287   5.032  -2.314
   64    HA   ASP   9           HA       ASP   9   2.734   3.964  -3.014
   65    HB2  ASP   9           HB2      ASP   9   0.485   5.090  -4.710
   66    HB3  ASP   9           HB1      ASP   9   1.894   4.302  -5.418
   67    H    ARG  10           HN       ARG  10   1.712   7.217  -2.934
   68    HA   ARG  10           HA       ARG  10   3.614   8.225  -4.874
   69    HB2  ARG  10           HB2      ARG  10   1.190   8.997  -4.383
   70    HB3  ARG  10           HB1      ARG  10   1.867   9.793  -2.975
   71    HG2  ARG  10           HG2      ARG  10   3.038  11.314  -4.258
   72    HG3  ARG  10           HG1      ARG  10   2.919  10.332  -5.724
   73    HD2  ARG  10           HD2      ARG  10   0.414  10.651  -5.520
   74    HD3  ARG  10           HD1      ARG  10   0.769  11.890  -4.322
   75    HE   ARG  10           HE       ARG  10   1.944  12.104  -7.005
   76   HH11  ARG  10          HH11      ARG  10  -0.170  13.350  -4.499
   77   HH12  ARG  10          HH12      ARG  10  -0.517  14.820  -5.355
   78   HH21  ARG  10          HH21      ARG  10   1.477  14.037  -8.127
   79   HH22  ARG  10          HH22      ARG  10   0.406  15.210  -7.413
   80    H    LYS  11           HN       LYS  11   3.173   8.038  -1.391
   81    HA   LYS  11           HA       LYS  11   5.555   9.510  -0.778
   82    HB2  LYS  11           HB2      LYS  11   3.598   9.136   0.784
   83    HB3  LYS  11           HB1      LYS  11   4.224   7.505   0.991
   84    HG2  LYS  11           HG2      LYS  11   5.024   8.993   2.763
   85    HG3  LYS  11           HG1      LYS  11   6.341   8.367   1.777
   86    HD2  LYS  11           HD2      LYS  11   6.600  10.727   2.301
   87    HD3  LYS  11           HD1      LYS  11   6.484  10.431   0.573
   88    HE2  LYS  11           HE2      LYS  11   4.104  11.021   0.643
   89    HE3  LYS  11           HE1      LYS  11   4.260  11.312   2.361
   90    HZ1  LYS  11           HZ1      LYS  11   5.910  13.057   1.836
   91    HZ2  LYS  11           HZ2      LYS  11   4.359  13.399   1.250
   92    HZ3  LYS  11           HZ3      LYS  11   5.557  12.846   0.189
   93    H    CYS  12           HN       CYS  12   4.548   6.163  -1.048
   94    HA   CYS  12           HA       CYS  12   6.860   4.755  -0.547
   95    HB2  CYS  12           HB2      CYS  12   4.693   4.294  -2.594
   96    HB3  CYS  12           HB1      CYS  12   5.910   3.100  -2.187
   97    HG   CYS  12           HG       CYS  12   3.674   4.392   0.050
   98    H    ALA  13           HN       ALA  13   5.931   6.517  -3.433
   99    HA   ALA  13           HA       ALA  13   8.139   5.582  -4.994
  100    HB1  ALA  13           HB1      ALA  13   6.028   7.702  -5.346
  101    HB2  ALA  13           HB2      ALA  13   6.318   6.221  -6.277
  102    HB3  ALA  13           HB3      ALA  13   7.410   7.592  -6.455
  103    H    GLN  14           HN       GLN  14   7.619   8.092  -2.690
  104    HA   GLN  14           HA       GLN  14   9.804   9.763  -3.456
  105    HB2  GLN  14           HB2      GLN  14   8.141   9.556  -0.974
  106    HB3  GLN  14           HB1      GLN  14   9.491  10.680  -1.114
  107    HG2  GLN  14           HG2      GLN  14   8.387  11.598  -3.144
  108    HG3  GLN  14           HG1      GLN  14   6.994  10.604  -2.755
  109   HE21  GLN  14          HE21      GLN  14   9.016  12.107  -0.334
  110   HE22  GLN  14          HE22      GLN  14   7.848  13.270   0.199
  111    H    PHE  15           HN       PHE  15   9.362   7.024  -1.382
  112    HA   PHE  15           HA       PHE  15  12.047   7.267  -0.259
  113    HB2  PHE  15           HB2      PHE  15   9.954   5.151   0.255
  114    HB3  PHE  15           HB1      PHE  15  11.431   5.413   1.172
  115    HD1  PHE  15           HD2      PHE  15  11.440   8.275   1.530
  116    HD2  PHE  15           HD1      PHE  15   8.210   5.524   1.745
  117    HE1  PHE  15           HE2      PHE  15  10.252   9.794   3.030
  118    HE2  PHE  15           HE1      PHE  15   7.009   7.054   3.255
  119    HZ   PHE  15           HZ       PHE  15   7.939   9.039   3.947
  120    H    GLY  16           HN       GLY  16  10.084   4.721  -1.770
  121    HA2  GLY  16           HA2      GLY  16  12.005   2.798  -2.171
  122    HA3  GLY  16           HA1      GLY  16  10.613   3.040  -3.208
  123    H    LYS  17           HN       LYS  17  10.932   5.140  -4.603
  124    HA   LYS  17           HA       LYS  17  12.983   4.334  -6.397
  125    HB2  LYS  17           HB2      LYS  17  11.250   6.784  -6.577
  126    HB3  LYS  17           HB1      LYS  17  12.059   5.923  -7.887
  127    HG2  LYS  17           HG2      LYS  17  10.025   4.560  -6.194
  128    HG3  LYS  17           HG1      LYS  17   9.554   5.555  -7.548
  129    HD2  LYS  17           HD2      LYS  17  11.523   3.296  -7.777
  130    HD3  LYS  17           HD1      LYS  17   9.781   3.089  -8.020
  131    HE2  LYS  17           HE2      LYS  17   9.815   4.833  -9.712
  132    HE3  LYS  17           HE1      LYS  17  11.549   5.018  -9.492
  133    HZ1  LYS  17           HZ1      LYS  17  10.108   2.669 -10.588
  134    HZ2  LYS  17           HZ2      LYS  17  11.740   2.626 -10.137
  135    HZ3  LYS  17           HZ3      LYS  17  11.239   3.656 -11.385
  136    H    GLU  18           HN       GLU  18  12.766   6.681  -3.880
  137    HA   GLU  18           HA       GLU  18  14.981   8.279  -4.631
  138    HB2  GLU  18           HB2      GLU  18  13.641   9.048  -2.834
  139    HB3  GLU  18           HB1      GLU  18  13.847   7.554  -1.927
  140    HG2  GLU  18           HG2      GLU  18  16.275   8.112  -1.734
  141    HG3  GLU  18           HG1      GLU  18  15.925   9.667  -2.486
  142    H    SER  19           HN       SER  19  14.711   5.309  -2.703
  143    HA   SER  19           HA       SER  19  17.430   4.790  -2.359
  144    HB2  SER  19           HB2      SER  19  15.278   2.746  -2.898
  145    HB3  SER  19           HB1      SER  19  16.804   2.484  -2.049
  146    HG   SER  19           HG       SER  19  15.571   4.487  -0.830
  147    H    CYS  20           HN       CYS  20  15.245   4.024  -4.994
  148    HA   CYS  20           HA       CYS  20  17.021   2.717  -6.693
  149    HB2  CYS  20           HB2      CYS  20  14.983   2.509  -7.607
  150    HB3  CYS  20           HB1      CYS  20  14.403   4.004  -6.884
  151    HG   CYS  20           HG       CYS  20  14.411   5.368  -9.072
  152    H    ASN  21           HN       ASN  21  16.340   6.181  -6.321
  153    HA   ASN  21           HA       ASN  21  18.107   7.084  -8.335
  154    HB2  ASN  21           HB2      ASN  21  16.811   8.366  -5.961
  155    HB3  ASN  21           HB1      ASN  21  18.109   9.211  -6.796
  156   HD21  ASN  21          HD21      ASN  21  14.830   8.129  -6.961
  157   HD22  ASN  21          HD22      ASN  21  14.417   8.987  -8.407
  158    H    SER  22           HN       SER  22  18.557   6.234  -4.978
  159    HA   SER  22           HA       SER  22  21.191   7.332  -4.774
  160    HB2  SER  22           HB2      SER  22  19.808   5.308  -3.002
  161    HB3  SER  22           HB1      SER  22  21.235   6.258  -2.586
  162    HG   SER  22           HG       SER  22  18.624   7.245  -3.141
  163    H    GLY  23           HN       GLY  23  19.874   4.326  -5.887
  164    HA2  GLY  23           HA2      GLY  23  21.628   3.306  -7.444
  165    HA3  GLY  23           HA1      GLY  23  22.593   3.186  -5.982
  166    H    LEU  24           HN       LEU  24  19.289   2.700  -5.402
  167    HA   LEU  24           HA       LEU  24  19.721  -0.111  -4.947
  168    HB2  LEU  24           HB2      LEU  24  17.761   1.887  -4.172
  169    HB3  LEU  24           HB1      LEU  24  17.013   0.370  -4.633
  170    HG   LEU  24           HG       LEU  24  17.637   0.747  -2.161
  171   HD11  LEU  24          HD11      LEU  24  16.870  -1.377  -2.989
  172   HD12  LEU  24          HD12      LEU  24  18.220  -1.621  -1.883
  173   HD13  LEU  24          HD13      LEU  24  18.473  -1.745  -3.625
  174   HD21  LEU  24          HD21      LEU  24  19.939  -0.017  -1.635
  175   HD22  LEU  24          HD22      LEU  24  19.881   1.541  -2.459
  176   HD23  LEU  24          HD23      LEU  24  20.319   0.083  -3.357
  177    H    ALA  25           HN       ALA  25  19.746  -1.419  -6.554
  178    HA   ALA  25           HA       ALA  25  18.668  -0.858  -9.109
  179    HB1  ALA  25           HB1      ALA  25  19.566  -3.516  -8.033
  180    HB2  ALA  25           HB2      ALA  25  20.631  -2.279  -8.707
  181    HB3  ALA  25           HB3      ALA  25  19.417  -3.050  -9.727
  182    H    SER  26           HN       SER  26  17.233  -2.167  -6.320
  183    HA   SER  26           HA       SER  26  15.303  -3.832  -7.534
  184    HB2  SER  26           HB2      SER  26  14.111  -3.543  -5.347
  185    HB3  SER  26           HB1      SER  26  15.758  -4.161  -5.243
  186    HG   SER  26           HG       SER  26  16.146  -2.541  -3.984
  187    H    TYR  27           HN       TYR  27  14.876  -0.585  -6.073
  188    HA   TYR  27           HA       TYR  27  12.258  -0.316  -7.160
  189    HB2  TYR  27           HB2      TYR  27  13.892   2.036  -6.213
  190    HB3  TYR  27           HB1      TYR  27  12.155   1.770  -6.121
  191    HD1  TYR  27           HD2      TYR  27  11.262   0.011  -4.543
  192    HD2  TYR  27           HD1      TYR  27  15.296   1.404  -4.391
  193    HE1  TYR  27           HE2      TYR  27  11.477  -0.909  -2.269
  194    HE2  TYR  27           HE1      TYR  27  15.520   0.464  -2.125
  195    HH   TYR  27           HH       TYR  27  14.044  -0.137  -0.215
  196    H    CYS  28           HN       CYS  28  15.336   0.113  -8.531
  197    HA   CYS  28           HA       CYS  28  14.809   2.154 -10.362
  198    HB2  CYS  28           HB2      CYS  28  16.732  -0.125 -10.205
  199    HB3  CYS  28           HB1      CYS  28  16.644   0.845 -11.653
  200    HG   CYS  28           HG       CYS  28  16.919   3.204  -9.771
  201    H    GLY  29           HN       GLY  29  13.359   2.160 -11.973
  202    HA2  GLY  29           HA2      GLY  29  12.065   1.433 -13.729
  203    HA3  GLY  29           HA1      GLY  29  13.042  -0.027 -13.763
  204    H    ALA  30           HN       ALA  30  11.721   0.559 -10.712
  205    HA   ALA  30           HA       ALA  30   9.681  -1.494 -11.179
  206    HB1  ALA  30           HB1      ALA  30  11.277  -2.152  -9.537
  207    HB2  ALA  30           HB2      ALA  30   9.762  -1.785  -8.705
  208    HB3  ALA  30           HB3      ALA  30  11.094  -0.626  -8.671
  209    H    ALA  31           HN       ALA  31   7.705  -1.326  -9.945
  210    HA   ALA  31           HA       ALA  31   6.715   1.421  -9.668
  211    HB1  ALA  31           HB1      ALA  31   4.498   0.406  -9.921
  212    HB2  ALA  31           HB2      ALA  31   5.260  -1.181 -10.095
  213    HB3  ALA  31           HB3      ALA  31   5.540   0.080 -11.306
  214    H    ILE  32           HN       ILE  32   6.641   2.073  -7.515
  215    HA   ILE  32           HA       ILE  32   6.533  -0.128  -5.591
  216    HB   ILE  32           HB       ILE  32   8.477   1.394  -5.378
  217   HG12  ILE  32          HG12      ILE  32   6.878   1.859  -2.920
  218   HG13  ILE  32          HG11      ILE  32   7.067   0.191  -3.447
  219   HG21  ILE  32          HG21      ILE  32   8.110   3.620  -4.415
  220   HG22  ILE  32          HG22      ILE  32   6.377   3.418  -4.670
  221   HG23  ILE  32          HG23      ILE  32   7.473   3.455  -6.055
  222   HD11  ILE  32          HD11      ILE  32   8.737   0.970  -1.790
  223   HD12  ILE  32          HD12      ILE  32   9.360   2.076  -3.020
  224   HD13  ILE  32          HD13      ILE  32   9.425   0.319  -3.289
  225    H    TYR  33           HN       TYR  33   5.018  -0.366  -4.135
  226    HA   TYR  33           HA       TYR  33   2.772   1.536  -4.188
  227    HB2  TYR  33           HB2      TYR  33   2.572  -1.477  -4.060
  228    HB3  TYR  33           HB1      TYR  33   1.238  -0.337  -4.153
  229    HD1  TYR  33           HD1      TYR  33   0.867   0.948  -6.253
  230    HD2  TYR  33           HD2      TYR  33   3.687  -2.222  -6.010
  231    HE1  TYR  33           HE1      TYR  33   0.896   0.805  -8.698
  232    HE2  TYR  33           HE2      TYR  33   3.734  -2.370  -8.468
  233    HH   TYR  33           HH       TYR  33   2.314   0.030 -10.478
  234    H    ALA  34           HN       ALA  34   1.486   1.579  -2.304
  235    HA   ALA  34           HA       ALA  34   2.911   0.904   0.141
  236    HB1  ALA  34           HB1      ALA  34   1.349   2.230   1.261
  237    HB2  ALA  34           HB2      ALA  34   0.157   2.070  -0.032
  238    HB3  ALA  34           HB3      ALA  34   1.605   3.058  -0.285
  239    H    ARG  35           HN       ARG  35   2.651  -1.008   1.068
  240    HA   ARG  35           HA       ARG  35  -0.051  -2.114   1.043
  241    HB2  ARG  35           HB2      ARG  35   1.833  -3.194  -0.594
  242    HB3  ARG  35           HB1      ARG  35   2.115  -4.130   0.865
  243    HG2  ARG  35           HG2      ARG  35   0.550  -5.246  -0.617
  244    HG3  ARG  35           HG1      ARG  35  -0.223  -4.800   0.904
  245    HD2  ARG  35           HD2      ARG  35  -1.681  -4.324  -0.991
  246    HD3  ARG  35           HD1      ARG  35  -1.217  -2.840  -0.162
  247    HE   ARG  35           HE       ARG  35   0.617  -3.044  -2.145
  248   HH11  ARG  35          HH11      ARG  35  -2.873  -3.224  -2.184
  249   HH12  ARG  35          HH12      ARG  35  -3.018  -2.457  -3.731
  250   HH21  ARG  35          HH21      ARG  35   0.414  -2.014  -4.183
  251   HH22  ARG  35          HH22      ARG  35  -1.168  -1.765  -4.865
  252    H    TYR  36           HN       TYR  36  -0.699  -2.290   3.011
  253    HA   TYR  36           HA       TYR  36   1.024  -2.468   5.299
  254    HB2  TYR  36           HB2      TYR  36  -1.320  -1.460   5.211
  255    HB3  TYR  36           HB1      TYR  36  -1.931  -3.109   5.134
  256    HD1  TYR  36           HD1      TYR  36  -0.054  -0.722   7.188
  257    HD2  TYR  36           HD2      TYR  36  -2.111  -4.433   7.093
  258    HE1  TYR  36           HE1      TYR  36   0.067  -0.819   9.620
  259    HE2  TYR  36           HE2      TYR  36  -2.016  -4.556   9.538
  260    HH   TYR  36           HH       TYR  36  -0.663  -3.643  11.382
  261    H    ASP  37           HN       ASP  37   2.289  -4.315   4.940
  262    HA   ASP  37           HA       ASP  37   1.024  -6.887   5.310
  263    HB2  ASP  37           HB2      ASP  37   1.342  -6.074   2.690
  264    HB3  ASP  37           HB1      ASP  37   2.832  -6.965   2.991
  265    H    LYS  38           HN       LYS  38   3.115  -8.530   4.681
  266    HA   LYS  38           HA       LYS  38   5.053  -7.829   6.723
  267    HB2  LYS  38           HB2      LYS  38   5.058 -10.195   4.854
  268    HB3  LYS  38           HB1      LYS  38   5.948 -10.042   6.357
  269    HG2  LYS  38           HG2      LYS  38   4.017 -10.289   7.655
  270    HG3  LYS  38           HG1      LYS  38   2.949 -10.008   6.278
  271    HD2  LYS  38           HD2      LYS  38   4.599 -12.427   6.942
  272    HD3  LYS  38           HD1      LYS  38   2.867 -12.325   6.609
  273    HE2  LYS  38           HE2      LYS  38   3.485 -11.607   4.273
  274    HE3  LYS  38           HE1      LYS  38   5.144 -12.045   4.670
  275    HZ1  LYS  38           HZ1      LYS  38   4.387 -14.314   5.107
  276    HZ2  LYS  38           HZ2      LYS  38   4.037 -13.838   3.518
  277    HZ3  LYS  38           HZ3      LYS  38   2.803 -13.876   4.680
  278    H    GLY  39           HN       GLY  39   7.370  -7.859   6.307
  279    HA2  GLY  39           HA2      GLY  39   8.065  -6.841   3.644
  280    HA3  GLY  39           HA1      GLY  39   9.090  -6.785   5.075
  281    H    ASN  40           HN       ASN  40  10.831  -8.041   4.843
  282    HA   ASN  40           HA       ASN  40  10.815 -10.385   3.174
  283    HB2  ASN  40           HB2      ASN  40  12.827  -8.816   3.664
  284    HB3  ASN  40           HB1      ASN  40  12.967  -9.703   5.180
  285   HD21  ASN  40          HD21      ASN  40  13.314  -9.823   1.741
  286   HD22  ASN  40          HD22      ASN  40  14.191 -11.314   1.667
  287    H    SER  41           HN       SER  41  12.159 -12.316   4.681
  288    HA   SER  41           HA       SER  41  10.009 -13.626   5.854
  289    HB2  SER  41           HB2      SER  41  12.950 -14.122   6.363
  290    HB3  SER  41           HB1      SER  41  11.639 -15.273   6.622
  291    HG   SER  41           HG       SER  41  11.374 -15.501   4.482
  292    H    SER  42           HN       SER  42  12.698 -11.961   7.498
  293    HA   SER  42           HA       SER  42  11.631 -12.505  10.103
  294    HB2  SER  42           HB2      SER  42  13.785 -10.521   9.351
  295    HB3  SER  42           HB1      SER  42  13.530 -11.280  10.924
  296    HG   SER  42           HG       SER  42  15.229 -12.186   9.475
  297    H    GLN  43           HN       GLN  43  10.764 -10.362   7.741
  298    HA   GLN  43           HA       GLN  43  10.155  -8.151   9.565
  299    HB2  GLN  43           HB2      GLN  43  10.528  -8.316   6.599
  300    HB3  GLN  43           HB1      GLN  43   9.594  -7.003   7.289
  301    HG2  GLN  43           HG2      GLN  43  11.835  -6.273   6.902
  302    HG3  GLN  43           HG1      GLN  43  11.547  -6.356   8.637
  303   HE21  GLN  43          HE21      GLN  43  12.752  -7.725   9.874
  304   HE22  GLN  43          HE22      GLN  43  14.081  -8.654   9.252
  305    H    GLN  44           HN       GLN  44   8.553 -10.653   9.362
  306    HA   GLN  44           HA       GLN  44   6.140 -10.218   7.976
  307    HB2  GLN  44           HB2      GLN  44   5.195 -11.898   9.482
  308    HB3  GLN  44           HB1      GLN  44   6.751 -12.394   8.844
  309    HG2  GLN  44           HG2      GLN  44   7.759 -11.606  10.993
  310    HG3  GLN  44           HG1      GLN  44   6.115 -11.369  11.576
  311   HE21  GLN  44          HE21      GLN  44   5.071 -13.685  10.186
  312   HE22  GLN  44          HE22      GLN  44   5.622 -15.063  11.065
  313    H    THR  45           HN       THR  45   4.178 -10.546  10.098
  314    HA   THR  45           HA       THR  45   2.597  -9.268  11.024
  315    HB   THR  45           HB       THR  45   3.323  -7.530  12.714
  316    HG1  THR  45           HG1      THR  45   5.605  -7.625  11.556
  317   HG21  THR  45          HG21      THR  45   2.723  -9.781  13.362
  318   HG22  THR  45          HG22      THR  45   4.088  -9.221  14.326
  319   HG23  THR  45          HG23      THR  45   4.352 -10.350  12.997
  320    H    LYS  46           HN       LYS  46   1.443  -8.184   9.641
  321    HA   LYS  46           HA       LYS  46   2.442  -6.436   7.738
  322    HB2  LYS  46           HB2      LYS  46  -0.369  -6.431   8.793
  323    HB3  LYS  46           HB1      LYS  46   0.167  -5.762   7.269
  324    HG2  LYS  46           HG2      LYS  46   1.002  -8.258   6.916
  325    HG3  LYS  46           HG1      LYS  46  -0.326  -8.568   8.035
  326    HD2  LYS  46           HD2      LYS  46  -1.798  -7.188   6.527
  327    HD3  LYS  46           HD1      LYS  46  -0.461  -7.143   5.389
  328    HE2  LYS  46           HE2      LYS  46  -0.447  -9.679   5.493
  329    HE3  LYS  46           HE1      LYS  46  -2.002  -9.535   6.301
  330    HZ1  LYS  46           HZ1      LYS  46  -2.209  -9.892   3.899
  331    HZ2  LYS  46           HZ2      LYS  46  -1.383  -8.444   3.609
  332    HZ3  LYS  46           HZ3      LYS  46  -2.898  -8.423   4.376
  333    H    GLU  47           HN       GLU  47   3.138  -4.510   7.802
  334    HA   GLU  47           HA       GLU  47   1.741  -2.455   9.338
  335    HB2  GLU  47           HB2      GLU  47   4.754  -2.731   9.359
  336    HB3  GLU  47           HB1      GLU  47   3.852  -1.352   9.980
  337    HG2  GLU  47           HG2      GLU  47   2.845  -2.733  11.676
  338    HG3  GLU  47           HG1      GLU  47   3.589  -4.163  10.986
  339    H    TRP  48           HN       TRP  48   1.876  -0.412   8.310
  340    HA   TRP  48           HA       TRP  48   1.843  -0.453   5.563
  341    HB2  TRP  48           HB2      TRP  48   2.201   1.739   7.551
  342    HB3  TRP  48           HB1      TRP  48   2.350   2.069   5.833
  343    HD1  TRP  48           HD1      TRP  48  -0.125   2.219   8.438
  344    HE1  TRP  48           HE1      TRP  48  -2.500   2.249   7.443
  345    HE3  TRP  48           HE3      TRP  48   0.935   0.587   3.708
  346    HZ2  TRP  48           HZ2      TRP  48  -3.765   1.611   4.996
  347    HZ3  TRP  48           HZ3      TRP  48  -0.919   0.311   2.109
  348    HH2  TRP  48           HH2      TRP  48  -3.218   0.811   2.751
  349    H    ARG  49           HN       ARG  49   3.421  -0.826   4.153
  350    HA   ARG  49           HA       ARG  49   5.983   0.492   4.587
  351    HB2  ARG  49           HB2      ARG  49   5.629  -2.454   4.022
  352    HB3  ARG  49           HB1      ARG  49   7.155  -1.604   3.817
  353    HG2  ARG  49           HG2      ARG  49   7.344  -1.170   6.110
  354    HG3  ARG  49           HG1      ARG  49   5.672  -1.611   6.423
  355    HD2  ARG  49           HD2      ARG  49   6.567  -3.915   5.375
  356    HD3  ARG  49           HD1      ARG  49   8.063  -3.303   6.085
  357    HE   ARG  49           HE       ARG  49   5.759  -3.217   7.807
  358   HH11  ARG  49          HH11      ARG  49   8.574  -4.990   6.819
  359   HH12  ARG  49          HH12      ARG  49   8.581  -6.015   8.213
  360   HH21  ARG  49          HH21      ARG  49   5.750  -4.551   9.664
  361   HH22  ARG  49          HH22      ARG  49   6.980  -5.760   9.850
  362    H    CYS  50           HN       CYS  50   7.328   0.363   2.593
  363    HA   CYS  50           HA       CYS  50   5.605   0.710   0.249
  364    HB2  CYS  50           HB2      CYS  50   8.520   1.466   0.588
  365    HB3  CYS  50           HB1      CYS  50   7.407   2.038  -0.653
  366    HG   CYS  50           HG       CYS  50   5.782   3.321   1.417
  367    H    TYR  51           HN       TYR  51   5.555  -0.861  -1.199
  368    HA   TYR  51           HA       TYR  51   7.828  -2.742  -1.403
  369    HB2  TYR  51           HB2      TYR  51   4.874  -3.372  -1.642
  370    HB3  TYR  51           HB1      TYR  51   6.172  -4.525  -1.887
  371    HD1  TYR  51           HD1      TYR  51   7.932  -4.175   0.277
  372    HD2  TYR  51           HD2      TYR  51   3.705  -3.860   0.250
  373    HE1  TYR  51           HE1      TYR  51   7.879  -4.793   2.661
  374    HE2  TYR  51           HE2      TYR  51   3.631  -4.467   2.635
  375    HH   TYR  51           HH       TYR  51   6.279  -4.419   4.617
  376    H    ILE  52           HN       ILE  52   8.664  -2.657  -3.473
  377    HA   ILE  52           HA       ILE  52   7.124  -1.484  -5.570
  378    HB   ILE  52           HB       ILE  52   8.971  -2.437  -7.064
  379   HG12  ILE  52          HG12      ILE  52  10.261  -2.766  -4.436
  380   HG13  ILE  52          HG11      ILE  52   9.748  -4.105  -5.473
  381   HG21  ILE  52          HG21      ILE  52   8.767  -0.077  -6.246
  382   HG22  ILE  52          HG22      ILE  52  10.414  -0.614  -6.578
  383   HG23  ILE  52          HG23      ILE  52   9.835  -0.536  -4.910
  384   HD11  ILE  52          HD11      ILE  52  11.311  -3.519  -7.141
  385   HD12  ILE  52          HD12      ILE  52  12.178  -3.469  -5.601
  386   HD13  ILE  52          HD13      ILE  52  11.649  -1.961  -6.372
  387    H    GLU  53           HN       GLU  53   6.358  -2.498  -7.430
  388    HA   GLU  53           HA       GLU  53   4.669  -4.612  -7.025
  389    HB2  GLU  53           HB2      GLU  53   4.420  -3.018  -8.829
  390    HB3  GLU  53           HB1      GLU  53   5.849  -3.651  -9.634
  391    HG2  GLU  53           HG2      GLU  53   4.747  -5.803  -9.900
  392    HG3  GLU  53           HG1      GLU  53   3.318  -5.169  -9.066
  393    H    LYS  54           HN       LYS  54   7.989  -4.657  -7.806
  394    HA   LYS  54           HA       LYS  54   8.508  -7.100  -8.914
  395    HB2  LYS  54           HB2      LYS  54  10.031  -5.147  -7.852
  396    HB3  LYS  54           HB1      LYS  54  10.111  -6.285  -6.524
  397    HG2  LYS  54           HG2      LYS  54  11.120  -7.946  -7.892
  398    HG3  LYS  54           HG1      LYS  54  10.832  -7.007  -9.357
  399    HD2  LYS  54           HD2      LYS  54  13.151  -6.802  -8.714
  400    HD3  LYS  54           HD1      LYS  54  12.336  -5.254  -8.496
  401    HE2  LYS  54           HE2      LYS  54  13.720  -5.577  -6.598
  402    HE3  LYS  54           HE1      LYS  54  12.056  -5.853  -6.079
  403    HZ1  LYS  54           HZ1      LYS  54  12.407  -8.186  -6.080
  404    HZ2  LYS  54           HZ2      LYS  54  13.714  -7.498  -5.247
  405    HZ3  LYS  54           HZ3      LYS  54  13.919  -8.038  -6.839
  406    H    GLU  55           HN       GLU  55   7.670  -6.261  -5.653
  407    HA   GLU  55           HA       GLU  55   8.365  -8.900  -4.664
  408    HB2  GLU  55           HB2      GLU  55   7.706  -6.415  -3.132
  409    HB3  GLU  55           HB1      GLU  55   8.572  -7.826  -2.564
  410    HG2  GLU  55           HG2      GLU  55   9.561  -6.019  -4.763
  411    HG3  GLU  55           HG1      GLU  55   9.996  -5.859  -3.052
  412    H    LEU  56           HN       LEU  56   5.601  -6.718  -4.947
  413    HA   LEU  56           HA       LEU  56   3.879  -8.160  -3.236
  414    HB2  LEU  56           HB2      LEU  56   3.285  -6.317  -5.534
  415    HB3  LEU  56           HB1      LEU  56   2.046  -7.098  -4.599
  416    HG   LEU  56           HG       LEU  56   2.911  -5.891  -2.537
  417   HD11  LEU  56          HD11      LEU  56   5.169  -5.481  -3.417
  418   HD12  LEU  56          HD12      LEU  56   4.360  -3.968  -3.000
  419   HD13  LEU  56          HD13      LEU  56   4.501  -4.458  -4.689
  420   HD21  LEU  56          HD21      LEU  56   1.990  -3.709  -3.323
  421   HD22  LEU  56          HD22      LEU  56   0.976  -5.095  -3.728
  422   HD23  LEU  56          HD23      LEU  56   1.979  -4.342  -4.975
  423    H    ASP  57           HN       ASP  57   1.968  -9.241  -3.968
  424    HA   ASP  57           HA       ASP  57   2.302 -10.754  -6.472
  425    HB2  ASP  57           HB2      ASP  57   2.691 -12.073  -4.300
  426    HB3  ASP  57           HB1      ASP  57   0.977 -11.836  -3.982
  427    H    PHE  58           HN       PHE  58   0.721 -10.212  -7.838
  428    HA   PHE  58           HA       PHE  58  -1.685  -8.945  -6.802
  429    HB2  PHE  58           HB2      PHE  58  -0.449  -9.218  -9.513
  430    HB3  PHE  58           HB1      PHE  58  -2.157  -8.808  -9.372
  431    HD1  PHE  58           HD1      PHE  58   1.245  -7.715  -8.343
  432    HD2  PHE  58           HD2      PHE  58  -2.841  -6.660  -8.874
  433    HE1  PHE  58           HE1      PHE  58   1.823  -5.352  -7.994
  434    HE2  PHE  58           HE2      PHE  58  -2.267  -4.287  -8.530
  435    HZ   PHE  58           HZ       PHE  58   0.061  -3.632  -8.088
  436    H    SER  59           HN       SER  59  -0.870 -12.027  -6.984
  437    HA   SER  59           HA       SER  59  -3.551 -12.899  -7.781
  438    HB2  SER  59           HB2      SER  59  -2.731 -15.190  -7.368
  439    HB3  SER  59           HB1      SER  59  -1.716 -14.336  -8.527
  440    HG   SER  59           HG       SER  59  -0.197 -13.998  -6.907
  441    H    LYS  60           HN       LYS  60  -1.915 -11.609  -5.290
  442    HA   LYS  60           HA       LYS  60  -3.689 -12.695  -3.225
  443    HB2  LYS  60           HB2      LYS  60  -1.056 -11.333  -3.203
  444    HB3  LYS  60           HB1      LYS  60  -2.200 -10.822  -2.001
  445    HG2  LYS  60           HG2      LYS  60  -0.988 -12.408  -0.880
  446    HG3  LYS  60           HG1      LYS  60  -2.411 -13.293  -1.399
  447    HD2  LYS  60           HD2      LYS  60   0.116 -13.276  -3.019
  448    HD3  LYS  60           HD1      LYS  60  -0.106 -14.398  -1.681
  449    HE2  LYS  60           HE2      LYS  60  -2.110 -15.287  -2.782
  450    HE3  LYS  60           HE1      LYS  60  -1.858 -14.169  -4.124
  451    HZ1  LYS  60           HZ1      LYS  60  -0.971 -16.332  -4.676
  452    HZ2  LYS  60           HZ2      LYS  60  -0.013 -16.339  -3.276
  453    HZ3  LYS  60           HZ3      LYS  60   0.308 -15.226  -4.514
  454    H    SER  61           HN       SER  61  -5.459 -11.477  -2.716
  455    HA   SER  61           HA       SER  61  -5.480  -8.750  -3.706
  456    HB2  SER  61           HB2      SER  61  -7.646 -10.154  -2.133
  457    HB3  SER  61           HB1      SER  61  -7.773  -8.643  -3.036
  458    HG   SER  61           HG       SER  61  -7.392 -11.256  -4.063
  459    H    GLY  62           HN       GLY  62  -4.864  -7.125  -2.540
  460    HA2  GLY  62           HA2      GLY  62  -3.611  -7.716  -0.026
  461    HA3  GLY  62           HA1      GLY  62  -3.537  -6.198  -0.903
  462    H    ASP  63           HN       ASP  63  -5.017  -7.966   1.594
  463    HA   ASP  63           HA       ASP  63  -7.065  -6.016   2.156
  464    HB2  ASP  63           HB2      ASP  63  -7.410  -7.312   4.207
  465    HB3  ASP  63           HB1      ASP  63  -7.276  -8.403   2.832
  466    H    GLY  64           HN       GLY  64  -4.308  -5.191   1.801
  467    HA2  GLY  64           HA2      GLY  64  -3.749  -4.005   4.443
  468    HA3  GLY  64           HA1      GLY  64  -2.465  -4.651   3.430
  469    H    CYS  65           HN       CYS  65  -5.229  -2.964   2.166
  470    HA   CYS  65           HA       CYS  65  -3.504  -0.671   1.458
  471    HB2  CYS  65           HB2      CYS  65  -6.076  -1.371   0.055
  472    HB3  CYS  65           HB1      CYS  65  -4.704  -0.447  -0.553
  473    HG   CYS  65           HG       CYS  65  -5.008  -3.830  -0.260
  474    H    VAL  66           HN       VAL  66  -5.055   1.338   1.103
  475    HA   VAL  66           HA       VAL  66  -7.095   1.282   3.214
  476    HB   VAL  66           HB       VAL  66  -5.482   2.556   4.274
  477   HG11  VAL  66          HG11      VAL  66  -3.878   2.637   2.477
  478   HG12  VAL  66          HG12      VAL  66  -4.084   4.246   3.174
  479   HG13  VAL  66          HG13      VAL  66  -4.848   3.849   1.631
  480   HG21  VAL  66          HG21      VAL  66  -6.320   4.712   4.493
  481   HG22  VAL  66          HG22      VAL  66  -7.703   3.799   3.859
  482   HG23  VAL  66          HG23      VAL  66  -6.742   4.815   2.778
  483    H    ASP  67           HN       ASP  67  -8.876   2.481   2.892
  484    HA   ASP  67           HA       ASP  67  -9.675   2.869   0.156
  485    HB2  ASP  67           HB2      ASP  67 -11.095   1.809   1.906
  486    HB3  ASP  67           HB1      ASP  67 -11.116   3.330   2.778
  487    H    ASP  68           HN       ASP  68 -11.432   5.131   0.630
  488    HA   ASP  68           HA       ASP  68  -9.638   7.266   0.129
  489    HB2  ASP  68           HB2      ASP  68 -11.627   8.782   0.415
  490    HB3  ASP  68           HB1      ASP  68 -11.813   7.530  -0.793
  491    H    CYS  69           HN       CYS  69 -11.503   6.420   3.011
  492    HA   CYS  69           HA       CYS  69  -9.898   8.327   4.568
  493    HB2  CYS  69           HB2      CYS  69 -12.388   8.103   4.940
  494    HB3  CYS  69           HB1      CYS  69 -12.091   6.467   5.511
  495    HG   CYS  69           HG       CYS  69 -12.586   8.225   7.669
  496    H    GLY  70           HN       GLY  70  -9.131   7.217   6.795
  497    HA2  GLY  70           HA2      GLY  70  -7.338   5.149   5.868
  498    HA3  GLY  70           HA1      GLY  70  -7.326   5.878   7.470
  499    H    SER  71           HN       SER  71  -9.219   3.805   5.394
  500    HA   SER  71           HA       SER  71  -9.543   1.894   7.596
  501    HB2  SER  71           HB2      SER  71 -11.709   3.054   7.163
  502    HB3  SER  71           HB1      SER  71 -11.615   2.555   5.475
  503    HG   SER  71           HG       SER  71 -12.908   1.212   7.003
  504    H    MET  72           HN       MET  72  -9.096  -0.221   6.945
  505    HA   MET  72           HA       MET  72  -7.453  -0.211   4.595
  506    HB2  MET  72           HB2      MET  72  -7.985  -2.471   6.511
  507    HB3  MET  72           HB1      MET  72  -6.745  -2.424   5.263
  508    HG2  MET  72           HG2      MET  72  -5.679  -0.539   6.374
  509    HG3  MET  72           HG1      MET  72  -6.913  -0.576   7.629
  510    HE1  MET  72           HE1      MET  72  -3.779  -0.630   8.222
  511    HE2  MET  72           HE2      MET  72  -3.727  -1.839   9.504
  512    HE3  MET  72           HE3      MET  72  -5.027  -0.648   9.470
  513    H    THR  73           HN       THR  73  -8.076  -0.625   2.695
  514    HA   THR  73           HA       THR  73 -10.465  -2.239   2.223
  515    HB   THR  73           HB       THR  73 -10.450   0.039   1.219
  516    HG1  THR  73           HG1      THR  73 -10.307  -2.116  -0.667
  517   HG21  THR  73          HG21      THR  73  -8.115  -1.055  -0.361
  518   HG22  THR  73          HG22      THR  73  -8.054   0.253   0.823
  519   HG23  THR  73          HG23      THR  73  -8.945   0.468  -0.686
  520    H    SER  74           HN       SER  74 -10.407  -3.894   0.632
  521    HA   SER  74           HA       SER  74  -7.828  -5.141   0.391
  522    HB2  SER  74           HB2      SER  74  -9.434  -6.923  -0.730
  523    HB3  SER  74           HB1      SER  74  -9.391  -6.709   1.019
  524    HG   SER  74           HG       SER  74 -11.378  -6.077   0.966
  525    H    CYS  75           HN       CYS  75  -6.600  -4.805  -1.293
  526    HA   CYS  75           HA       CYS  75  -7.750  -4.483  -3.965
  527    HB2  CYS  75           HB2      CYS  75  -7.434  -2.203  -3.088
  528    HB3  CYS  75           HB1      CYS  75  -5.746  -2.570  -2.775
  529    HG   CYS  75           HG       CYS  75  -5.372  -1.147  -4.963
  530    H    ARG  76           HN       ARG  76  -6.517  -5.423  -5.543
  531    HA   ARG  76           HA       ARG  76  -4.871  -7.507  -4.647
  532    HB2  ARG  76           HB2      ARG  76  -5.524  -6.480  -7.375
  533    HB3  ARG  76           HB1      ARG  76  -4.365  -7.773  -7.145
  534    HG2  ARG  76           HG2      ARG  76  -6.381  -8.871  -7.517
  535    HG3  ARG  76           HG1      ARG  76  -6.157  -8.926  -5.780
  536    HD2  ARG  76           HD2      ARG  76  -8.052  -7.877  -5.462
  537    HD3  ARG  76           HD1      ARG  76  -7.488  -6.532  -6.448
  538    HE   ARG  76           HE       ARG  76  -8.520  -8.796  -7.926
  539   HH11  ARG  76          HH11      ARG  76  -9.229  -5.683  -6.491
  540   HH12  ARG  76          HH12      ARG  76 -10.701  -5.455  -7.386
  541   HH21  ARG  76          HH21      ARG  76 -10.437  -8.504  -9.120
  542   HH22  ARG  76          HH22      ARG  76 -11.381  -7.061  -8.891
  543    H    GLY  77           HN       GLY  77  -2.937  -7.606  -4.090
  544    HA2  GLY  77           HA2      GLY  77  -0.593  -6.933  -5.077
  545    HA3  GLY  77           HA1      GLY  77  -1.127  -5.360  -4.499
  546    H    SER  78           HN       SER  78   0.451  -8.197  -3.591
  547    HA   SER  78           HA       SER  78   0.585  -7.309  -0.881
  548    HB2  SER  78           HB2      SER  78  -1.565  -8.324  -0.673
  549    HB3  SER  78           HB1      SER  78  -1.080  -9.730  -1.567
  550    HG   SER  78           HG       SER  78  -0.339  -8.951   1.066
  551    H    VAL  79           HN       VAL  79   1.973  -8.290   0.383
  552    HA   VAL  79           HA       VAL  79   4.119  -9.570  -1.014
  553    HB   VAL  79           HB       VAL  79   3.842  -8.701   1.844
  554   HG11  VAL  79          HG11      VAL  79   6.159  -9.174   2.189
  555   HG12  VAL  79          HG12      VAL  79   6.373  -9.626   0.499
  556   HG13  VAL  79          HG13      VAL  79   5.405 -10.646   1.572
  557   HG21  VAL  79          HG21      VAL  79   5.505  -7.569  -0.398
  558   HG22  VAL  79          HG22      VAL  79   5.334  -6.905   1.229
  559   HG23  VAL  79          HG23      VAL  79   3.950  -6.923   0.133
  560    H    SER  80           HN       SER  80   3.541 -11.606  -1.544
  561    HA   SER  80           HA       SER  80   2.207 -13.402   0.193
  562    HB2  SER  80           HB2      SER  80   2.994 -15.099  -1.566
  563    HB3  SER  80           HB1      SER  80   1.933 -13.801  -2.111
  564    HG   SER  80           HG       SER  80   3.969 -14.314  -3.351
  565    H    GLY  81           HN       GLY  81   5.474 -13.611  -1.170
  566    HA2  GLY  81           HA2      GLY  81   6.391 -14.854   1.335
  567    HA3  GLY  81           HA1      GLY  81   7.197 -15.013  -0.224
  568    HA   PRO  82           HA       PRO  82   9.278 -11.802   2.559
  569    HB2  PRO  82           HB2      PRO  82  11.727 -12.602   1.612
  570    HB3  PRO  82           HB1      PRO  82  11.012 -13.095   3.139
  571    HG2  PRO  82           HG2      PRO  82  11.017 -14.525   0.509
  572    HG3  PRO  82           HG1      PRO  82  11.231 -15.176   2.147
  573    HD2  PRO  82           HD2      PRO  82   8.918 -15.447   0.890
  574    HD3  PRO  82           HD1      PRO  82   8.949 -15.025   2.619
  575    H    SER  83           HN       SER  83   9.109  -9.873   1.667
  576    HA   SER  83           HA       SER  83  10.049  -9.447  -1.071
  577    HB2  SER  83           HB2      SER  83   8.482  -7.658   0.807
  578    HB3  SER  83           HB1      SER  83   8.950  -7.231  -0.835
  579    HG   SER  83           HG       SER  83   7.629  -9.649  -0.486
  580    H    THR  84           HN       THR  84  12.069  -8.792  -1.349
  581    HA   THR  84           HA       THR  84  13.654  -7.869   0.856
  582    HB   THR  84           HB       THR  84  14.537  -7.667  -2.003
  583    HG1  THR  84           HG1      THR  84  14.006  -9.768  -2.091
  584   HG21  THR  84          HG21      THR  84  15.912  -8.328   0.607
  585   HG22  THR  84          HG22      THR  84  16.021  -6.808  -0.284
  586   HG23  THR  84          HG23      THR  84  16.703  -8.284  -0.970
  587    H    SER  85           HN       SER  85  12.552  -6.415  -2.237
  588    HA   SER  85           HA       SER  85  13.388  -3.812  -1.534
  589    HB2  SER  85           HB2      SER  85  12.762  -3.763  -3.788
  590    HB3  SER  85           HB1      SER  85  11.367  -4.810  -3.540
  591    HG   SER  85           HG       SER  85  11.492  -2.279  -2.330
  592    H    HIS  86           HN       HIS  86  12.679  -2.742   0.250
  593    HA   HIS  86           HA       HIS  86   9.998  -1.983   0.305
  594    HB2  HIS  86           HB2      HIS  86   9.113  -3.027   2.202
  595    HB3  HIS  86           HB1      HIS  86   9.733  -4.311   1.184
  596    HD1  HIS  86           HD1      HIS  86  11.948  -5.499   1.997
  597    HD2  HIS  86           HD2      HIS  86  10.239  -2.878   4.731
  598    HE1  HIS  86           HE1      HIS  86  13.044  -6.013   4.200
  599    HE2  HIS  86           HE2      HIS  86  12.209  -4.203   5.754
  600    H    LEU  87           HN       LEU  87   9.479  -0.477   1.866
  601    HA   LEU  87           HA       LEU  87  11.611   0.322   3.718
  602    HB2  LEU  87           HB2      LEU  87   9.928   2.120   1.975
  603    HB3  LEU  87           HB1      LEU  87  10.866   2.708   3.332
  604    HG   LEU  87           HG       LEU  87  12.732   1.296   1.859
  605   HD11  LEU  87          HD11      LEU  87  11.206   0.986   0.021
  606   HD12  LEU  87          HD12      LEU  87  12.499   2.092  -0.443
  607   HD13  LEU  87          HD13      LEU  87  10.897   2.720  -0.049
  608   HD21  LEU  87          HD21      LEU  87  13.165   3.410   2.901
  609   HD22  LEU  87          HD22      LEU  87  12.051   4.225   1.808
  610   HD23  LEU  87          HD23      LEU  87  13.548   3.537   1.183
  611    H    THR  88           HN       THR  88  10.790  -0.092   5.692
  612    HA   THR  88           HA       THR  88   7.958  -0.140   6.125
  613    HB   THR  88           HB       THR  88  10.058  -0.174   8.273
  614    HG1  THR  88           HG1      THR  88   9.979  -2.492   8.014
  615   HG21  THR  88          HG21      THR  88   7.783   0.091   9.062
  616   HG22  THR  88          HG22      THR  88   8.400  -1.513   9.476
  617   HG23  THR  88          HG23      THR  88   7.285  -1.321   8.124
  618    H    ARG  89           HN       ARG  89   7.241   1.933   5.645
  619    HA   ARG  89           HA       ARG  89   7.864   3.861   7.788
  620    HB2  ARG  89           HB2      ARG  89   6.685   4.532   5.100
  621    HB3  ARG  89           HB1      ARG  89   7.377   5.630   6.272
  622    HG2  ARG  89           HG2      ARG  89   9.122   3.556   5.103
  623    HG3  ARG  89           HG1      ARG  89   8.665   4.940   4.114
  624    HD2  ARG  89           HD2      ARG  89  10.223   4.885   6.670
  625    HD3  ARG  89           HD1      ARG  89  10.663   5.583   5.108
  626    HE   ARG  89           HE       ARG  89   8.390   6.889   6.164
  627   HH11  ARG  89          HH11      ARG  89  11.862   6.625   6.515
  628   HH12  ARG  89          HH12      ARG  89  12.044   8.236   7.160
  629   HH21  ARG  89          HH21      ARG  89   8.640   9.023   7.023
  630   HH22  ARG  89          HH22      ARG  89  10.233   9.578   7.439
  631    HA   PRO  90           HA       PRO  90   3.428   2.467   7.869
  632    HB2  PRO  90           HB2      PRO  90   3.720   1.683  10.599
  633    HB3  PRO  90           HB1      PRO  90   3.375   0.662   9.222
  634    HG2  PRO  90           HG2      PRO  90   5.734   0.625  10.670
  635    HG3  PRO  90           HG1      PRO  90   5.526   0.010   9.026
  636    HD2  PRO  90           HD2      PRO  90   6.760   2.525   9.956
  637    HD3  PRO  90           HD1      PRO  90   7.119   1.549   8.539
  638    H    SER  91           HN       SER  91   5.468   4.350   9.888
  639    HA   SER  91           HA       SER  91   3.505   5.942  11.174
  640    HB2  SER  91           HB2      SER  91   6.242   6.801  10.202
  641    HB3  SER  91           HB1      SER  91   5.312   7.499  11.539
  642    HG   SER  91           HG       SER  91   5.469   5.143  12.340
  643    H    GLU  92           HN       GLU  92   5.389   6.267   8.222
  644    HA   GLU  92           HA       GLU  92   4.373   8.752   7.404
  645    HB2  GLU  92           HB2      GLU  92   6.427   8.168   6.521
  646    HB3  GLU  92           HB1      GLU  92   5.940   6.556   6.123
  647    HG2  GLU  92           HG2      GLU  92   4.686   8.845   4.723
  648    HG3  GLU  92           HG1      GLU  92   6.334   8.382   4.304
  649    H    LEU  93           HN       LEU  93   3.808   5.543   6.026
  650    HA   LEU  93           HA       LEU  93   1.896   6.176   4.168
  651    HB2  LEU  93           HB2      LEU  93   2.215   3.741   5.858
  652    HB3  LEU  93           HB1      LEU  93   0.833   3.873   4.805
  653    HG   LEU  93           HG       LEU  93   2.279   2.612   3.556
  654   HD11  LEU  93          HD11      LEU  93   1.559   4.473   2.204
  655   HD12  LEU  93          HD12      LEU  93   3.192   3.984   1.745
  656   HD13  LEU  93          HD13      LEU  93   2.947   5.428   2.728
  657   HD21  LEU  93          HD21      LEU  93   4.683   2.978   3.312
  658   HD22  LEU  93          HD22      LEU  93   4.205   2.679   4.984
  659   HD23  LEU  93          HD23      LEU  93   4.580   4.319   4.453
  660    H    GLN  94           HN       GLN  94   1.239   5.335   7.552
  661    HA   GLN  94           HA       GLN  94  -1.591   5.676   7.270
  662    HB2  GLN  94           HB2      GLN  94  -0.273   4.247   8.968
  663    HB3  GLN  94           HB1      GLN  94  -0.064   5.751   9.851
  664    HG2  GLN  94           HG2      GLN  94  -1.877   4.457  10.753
  665    HG3  GLN  94           HG1      GLN  94  -2.470   5.972  10.077
  666   HE21  GLN  94          HE21      GLN  94  -3.949   5.906   8.411
  667   HE22  GLN  94          HE22      GLN  94  -4.608   4.442   7.806
  668    H    ALA  95           HN       ALA  95   1.055   7.732   7.682
  669    HA   ALA  95           HA       ALA  95  -0.255   9.887   9.022
  670    HB1  ALA  95           HB1      ALA  95   2.181  10.167   7.320
  671    HB2  ALA  95           HB2      ALA  95   2.253   9.414   8.919
  672    HB3  ALA  95           HB3      ALA  95   1.714  11.091   8.754
  673    H    VAL  96           HN       VAL  96   0.758   9.294   5.618
  674    HA   VAL  96           HA       VAL  96  -0.534  11.680   4.761
  675    HB   VAL  96           HB       VAL  96   0.547  11.405   2.847
  676   HG11  VAL  96          HG11      VAL  96   1.404   8.676   3.755
  677   HG12  VAL  96          HG12      VAL  96   2.168  10.194   4.232
  678   HG13  VAL  96          HG13      VAL  96   2.188   9.687   2.527
  679   HG21  VAL  96          HG21      VAL  96   0.061   9.572   1.275
  680   HG22  VAL  96          HG22      VAL  96  -1.405  10.324   1.924
  681   HG23  VAL  96          HG23      VAL  96  -0.857   8.758   2.545
  682    H    ILE  97           HN       ILE  97  -1.475   8.380   5.288
  683    HA   ILE  97           HA       ILE  97  -4.003   8.465   4.126
  684    HB   ILE  97           HB       ILE  97  -2.928   7.154   6.582
  685   HG12  ILE  97          HG12      ILE  97  -4.309   5.840   4.281
  686   HG13  ILE  97          HG11      ILE  97  -2.670   6.447   4.078
  687   HG21  ILE  97          HG21      ILE  97  -5.066   6.067   6.961
  688   HG22  ILE  97          HG22      ILE  97  -5.795   7.024   5.673
  689   HG23  ILE  97          HG23      ILE  97  -5.217   7.816   7.137
  690   HD11  ILE  97          HD11      ILE  97  -1.930   5.055   5.929
  691   HD12  ILE  97          HD12      ILE  97  -2.669   4.099   4.645
  692   HD13  ILE  97          HD13      ILE  97  -3.572   4.442   6.123
  693    H    ASP  98           HN       ASP  98  -3.061   9.285   7.426
  694    HA   ASP  98           HA       ASP  98  -5.412  10.590   8.162
  695    HB2  ASP  98           HB2      ASP  98  -3.722   9.850   9.753
  696    HB3  ASP  98           HB1      ASP  98  -2.580  11.033   9.126
  697    H    SER  99           HN       SER  99  -2.573  11.818   6.474
  698    HA   SER  99           HA       SER  99  -3.373  14.577   6.684
  699    HB2  SER  99           HB2      SER  99  -1.039  14.048   6.725
  700    HB3  SER  99           HB1      SER  99  -1.129  13.237   5.158
  701    HG   SER  99           HG       SER  99  -0.628  15.786   5.651
  702    H    ASP 100           HN       ASP 100  -2.790  12.449   3.851
  703    HA   ASP 100           HA       ASP 100  -3.967  14.179   1.979
  704    HB2  ASP 100           HB2      ASP 100  -2.941  11.471   2.007
  705    HB3  ASP 100           HB1      ASP 100  -4.116  11.774   0.820
  706    H    LYS 101           HN       LYS 101  -5.405  12.156   4.314
  707    HA   LYS 101           HA       LYS 101  -7.859  11.563   3.166
  708    HB2  LYS 101           HB2      LYS 101  -6.783  11.866   5.818
  709    HB3  LYS 101           HB1      LYS 101  -8.429  12.496   5.741
  710    HG2  LYS 101           HG2      LYS 101  -9.329  10.458   5.442
  711    HG3  LYS 101           HG1      LYS 101  -7.966   9.872   4.494
  712    HD2  LYS 101           HD2      LYS 101  -8.001   8.658   6.535
  713    HD3  LYS 101           HD1      LYS 101  -6.654   9.770   6.597
  714    HE2  LYS 101           HE2      LYS 101  -9.329  10.225   7.907
  715    HE3  LYS 101           HE1      LYS 101  -7.896   9.612   8.723
  716    HZ1  LYS 101           HZ1      LYS 101  -8.319  12.317   7.578
  717    HZ2  LYS 101           HZ2      LYS 101  -6.789  11.748   8.013
  718    HZ3  LYS 101           HZ3      LYS 101  -7.995  11.905   9.191
  719    H    SER 102           HN       SER 102  -6.502  14.643   4.010
  720    HA   SER 102           HA       SER 102  -8.874  16.191   3.895
  721    HB2  SER 102           HB2      SER 102  -6.591  16.919   4.755
  722    HB3  SER 102           HB1      SER 102  -6.104  17.080   3.068
  723    HG   SER 102           HG       SER 102  -7.910  18.610   4.573
  724    H    ASN 103           HN       ASN 103  -6.924  14.620   1.563
  725    HA   ASN 103           HA       ASN 103  -8.083  16.016  -0.721
  726    HB2  ASN 103           HB2      ASN 103  -5.577  15.082  -0.367
  727    HB3  ASN 103           HB1      ASN 103  -6.323  13.647  -1.059
  728   HD21  ASN 103          HD21      ASN 103  -7.107  13.701  -3.172
  729   HD22  ASN 103          HD22      ASN 103  -6.627  14.927  -4.293
  730    H    TYR 104           HN       TYR 104  -8.074  12.928   0.920
  731    HA   TYR 104           HA       TYR 104 -10.501  12.119  -0.482
  732    HB2  TYR 104           HB2      TYR 104  -8.800   9.813  -0.133
  733    HB3  TYR 104           HB1      TYR 104  -9.626  10.363  -1.583
  734    HD1  TYR 104           HD2      TYR 104  -6.543  11.017   0.445
  735    HD2  TYR 104           HD1      TYR 104  -8.370  11.033  -3.398
  736    HE1  TYR 104           HE2      TYR 104  -4.374  11.527  -0.569
  737    HE2  TYR 104           HE1      TYR 104  -6.215  11.517  -4.451
  738    HH   TYR 104           HH       TYR 104  -3.232  11.634  -2.516
  739    H    CYS 105           HN       CYS 105 -11.859  11.544   1.036
  740    HA   CYS 105           HA       CYS 105 -11.194   9.647   3.018
  741    HB2  CYS 105           HB2      CYS 105 -10.408  11.344   4.386
  742    HB3  CYS 105           HB1      CYS 105 -11.538  12.537   3.759
  743    HG   CYS 105           HG       CYS 105 -12.596  12.395   6.176
  744    H    THR 106           HN       THR 106 -13.363   9.369   4.409
  745    HA   THR 106           HA       THR 106 -15.018   8.267   2.512
  746    HB   THR 106           HB       THR 106 -16.717   8.182   4.462
  747    HG1  THR 106           HG1      THR 106 -15.555   9.964   5.592
  748   HG21  THR 106          HG21      THR 106 -15.393   6.307   3.804
  749   HG22  THR 106          HG22      THR 106 -15.335   6.439   5.562
  750   HG23  THR 106          HG23      THR 106 -13.965   6.984   4.588
  751    H    ASP 107           HN       ASP 107 -15.904   9.434   0.965
  752    HA   ASP 107           HA       ASP 107 -18.114  11.173   1.794
  753    HB2  ASP 107           HB2      ASP 107 -17.777  12.654  -0.091
  754    HB3  ASP 107           HB1      ASP 107 -16.283  12.575   0.829
  755    H    LYS 108           HN       LYS 108 -16.722   8.914  -0.485
  756    HA   LYS 108           HA       LYS 108 -19.429   7.905  -0.904
  757    HB2  LYS 108           HB2      LYS 108 -19.021   7.476  -3.256
  758    HB3  LYS 108           HB1      LYS 108 -18.823   9.183  -2.911
  759    HG2  LYS 108           HG2      LYS 108 -17.042   8.835  -4.282
  760    HG3  LYS 108           HG1      LYS 108 -16.282   8.512  -2.722
  761    HD2  LYS 108           HD2      LYS 108 -15.658   6.803  -4.333
  762    HD3  LYS 108           HD1      LYS 108 -16.664   6.101  -3.066
  763    HE2  LYS 108           HE2      LYS 108 -17.386   5.239  -5.184
  764    HE3  LYS 108           HE1      LYS 108 -18.623   6.335  -4.571
  765    HZ1  LYS 108           HZ1      LYS 108 -18.205   6.666  -6.932
  766    HZ2  LYS 108           HZ2      LYS 108 -16.579   7.026  -6.614
  767    HZ3  LYS 108           HZ3      LYS 108 -17.802   8.054  -6.044
  768    H    SER 109           HN       SER 109 -16.218   7.366  -0.076
  769    HA   SER 109           HA       SER 109 -14.968   5.562   0.424
  770    HB2  SER 109           HB2      SER 109 -16.868   4.852   1.761
  771    HB3  SER 109           HB1      SER 109 -17.610   4.097   0.353
  772    HG   SER 109           HG       SER 109 -15.011   3.358   1.205
  773    H    GLU 110           HN       GLU 110 -13.728   5.507  -1.396
  774    HA   GLU 110           HA       GLU 110 -14.878   4.444  -3.845
  775    HB2  GLU 110           HB2      GLU 110 -13.518   6.597  -3.704
  776    HB3  GLU 110           HB1      GLU 110 -12.103   5.571  -3.507
  777    HG2  GLU 110           HG2      GLU 110 -12.318   4.669  -5.656
  778    HG3  GLU 110           HG1      GLU 110 -13.969   5.260  -5.832
  779    H    GLN 111           HN       GLN 111 -14.203   2.704  -1.563
  780    HA   GLN 111           HA       GLN 111 -11.986   1.090  -2.443
  781    HB2  GLN 111           HB2      GLN 111 -12.628  -0.412  -0.616
  782    HB3  GLN 111           HB1      GLN 111 -12.517   1.258  -0.062
  783    HG2  GLN 111           HG2      GLN 111 -14.913   1.469  -0.077
  784    HG3  GLN 111           HG1      GLN 111 -15.085  -0.145  -0.770
  785   HE21  GLN 111          HE21      GLN 111 -14.177   1.675   2.068
  786   HE22  GLN 111          HE22      GLN 111 -14.323   0.360   3.191
  787    H    GLN 112           HN       GLN 112 -12.582  -1.426  -2.489
  788    HA   GLN 112           HA       GLN 112 -14.929  -1.774  -4.214
  789    HB2  GLN 112           HB2      GLN 112 -12.860  -1.497  -5.607
  790    HB3  GLN 112           HB1      GLN 112 -12.206  -2.936  -4.837
  791    HG2  GLN 112           HG2      GLN 112 -14.003  -4.278  -5.748
  792    HG3  GLN 112           HG1      GLN 112 -14.739  -2.845  -6.463
  793   HE21  GLN 112          HE21      GLN 112 -13.767  -1.874  -8.241
  794   HE22  GLN 112          HE22      GLN 112 -12.616  -2.723  -9.224
  795    HA   PRO 113           HA       PRO 113 -14.743  -5.193  -1.158
  796    HB2  PRO 113           HB2      PRO 113 -17.058  -4.753   0.090
  797    HB3  PRO 113           HB1      PRO 113 -15.636  -3.766   0.451
  798    HG2  PRO 113           HG2      PRO 113 -18.038  -3.105  -1.184
  799    HG3  PRO 113           HG1      PRO 113 -17.072  -2.056  -0.133
  800    HD2  PRO 113           HD2      PRO 113 -16.865  -2.260  -2.933
  801    HD3  PRO 113           HD1      PRO 113 -15.706  -1.469  -1.849
  802    H    SER 114           HN       SER 114 -15.624  -5.141  -3.969
  803    HA   SER 114           HA       SER 114 -17.467  -7.368  -3.907
  804    HB2  SER 114           HB2      SER 114 -18.180  -4.808  -5.369
  805    HB3  SER 114           HB1      SER 114 -19.067  -6.327  -5.474
  806    HG   SER 114           HG       SER 114 -18.778  -5.670  -2.902
  807    H    GLN 115           HN       GLN 115 -17.468  -8.548  -5.862
  808    HA   GLN 115           HA       GLN 115 -15.046  -8.305  -7.384
  809    HB2  GLN 115           HB2      GLN 115 -17.420 -10.162  -7.607
  810    HB3  GLN 115           HB1      GLN 115 -16.015 -10.262  -8.660
  811    HG2  GLN 115           HG2      GLN 115 -15.857 -10.450  -5.665
  812    HG3  GLN 115           HG1      GLN 115 -16.029 -11.849  -6.725
  813   HE21  GLN 115          HE21      GLN 115 -14.324 -12.470  -8.022
  814   HE22  GLN 115          HE22      GLN 115 -12.709 -11.892  -7.769
  815    H    ALA 116           HN       ALA 116 -15.324  -6.219  -8.303
  816    HA   ALA 116           HA       ALA 116 -17.506  -5.771 -10.150
  817    HB1  ALA 116           HB1      ALA 116 -15.091  -4.055  -9.583
  818    HB2  ALA 116           HB2      ALA 116 -16.642  -3.941  -8.751
  819    HB3  ALA 116           HB3      ALA 116 -16.537  -3.572 -10.473
  820    H    THR 117           HN       THR 117 -16.553  -7.877 -11.203
  821    HA   THR 117           HA       THR 117 -14.502  -7.215 -13.173
  822    HB   THR 117           HB       THR 117 -15.885  -9.872 -12.763
  823    HG1  THR 117           HG1      THR 117 -14.172  -8.620 -11.171
  824   HG21  THR 117          HG21      THR 117 -14.813  -9.619 -14.953
  825   HG22  THR 117          HG22      THR 117 -13.927 -10.768 -13.950
  826   HG23  THR 117          HG23      THR 117 -13.311  -9.130 -14.168
  827    HA   PRO 118           HA       PRO 118 -18.367  -8.491 -15.982
  828    HB2  PRO 118           HB2      PRO 118 -20.739  -7.818 -14.674
  829    HB3  PRO 118           HB1      PRO 118 -20.139  -9.457 -14.939
  830    HG2  PRO 118           HG2      PRO 118 -19.923  -7.725 -12.519
  831    HG3  PRO 118           HG1      PRO 118 -20.195  -9.474 -12.628
  832    HD2  PRO 118           HD2      PRO 118 -17.801  -8.496 -11.968
  833    HD3  PRO 118           HD1      PRO 118 -17.948  -9.925 -13.016
  834    HA   PRO 119           HA       PRO 119 -18.302  -4.047 -16.615
  835    HB2  PRO 119           HB2      PRO 119 -18.674  -4.625 -19.422
  836    HB3  PRO 119           HB1      PRO 119 -17.223  -4.044 -18.606
  837    HG2  PRO 119           HG2      PRO 119 -17.441  -6.524 -19.735
  838    HG3  PRO 119           HG1      PRO 119 -16.351  -6.142 -18.390
  839    HD2  PRO 119           HD2      PRO 119 -19.037  -7.463 -18.336
  840    HD3  PRO 119           HD1      PRO 119 -17.570  -7.854 -17.412
  841    HA   PRO 120           HA       PRO 120 -22.650  -3.206 -17.171
  842    HB2  PRO 120           HB2      PRO 120 -21.965  -0.512 -18.054
  843    HB3  PRO 120           HB1      PRO 120 -22.742  -1.027 -16.555
  844    HG2  PRO 120           HG2      PRO 120 -20.225  -0.016 -16.639
  845    HG3  PRO 120           HG1      PRO 120 -20.748  -1.204 -15.431
  846    HD2  PRO 120           HD2      PRO 120 -19.158  -1.619 -17.933
  847    HD3  PRO 120           HD1      PRO 120 -18.943  -2.346 -16.326
  848    H    GLU 121           HN       GLU 121 -21.731  -4.612 -19.258
  849    HA   GLU 121           HA       GLU 121 -22.809  -3.190 -21.601
  850    HB2  GLU 121           HB2      GLU 121 -20.471  -5.116 -21.565
  851    HB3  GLU 121           HB1      GLU 121 -21.184  -4.409 -23.008
  852    HG2  GLU 121           HG2      GLU 121 -20.491  -2.205 -22.333
  853    HG3  GLU 121           HG1      GLU 121 -19.894  -2.827 -20.795
  854    H    ILE 122           HN       ILE 122 -24.193  -4.838 -19.749
  855    HA   ILE 122           HA       ILE 122 -24.542  -7.407 -21.078
  856    HB   ILE 122           HB       ILE 122 -25.918  -6.332 -18.607
  857   HG12  ILE 122          HG12      ILE 122 -23.567  -8.228 -18.832
  858   HG13  ILE 122          HG11      ILE 122 -23.466  -6.546 -18.321
  859   HG21  ILE 122          HG21      ILE 122 -25.743  -9.136 -19.706
  860   HG22  ILE 122          HG22      ILE 122 -27.168  -8.096 -19.739
  861   HG23  ILE 122          HG23      ILE 122 -26.523  -8.661 -18.198
  862   HD11  ILE 122          HD11      ILE 122 -23.405  -8.100 -16.434
  863   HD12  ILE 122          HD12      ILE 122 -24.996  -8.712 -16.892
  864   HD13  ILE 122          HD13      ILE 122 -24.811  -7.038 -16.367
  865    HA   PRO 123           HA       PRO 123 -27.897  -5.708 -23.508
  866    HB2  PRO 123           HB2      PRO 123 -28.472  -8.556 -24.032
  867    HB3  PRO 123           HB1      PRO 123 -28.104  -7.257 -25.168
  868    HG2  PRO 123           HG2      PRO 123 -26.330  -9.194 -24.638
  869    HG3  PRO 123           HG1      PRO 123 -25.821  -7.522 -24.941
  870    HD2  PRO 123           HD2      PRO 123 -26.075  -8.987 -22.343
  871    HD3  PRO 123           HD1      PRO 123 -24.821  -7.848 -22.878
  Start of MODEL    9
    1    H1   ALA   1           HT1      ALA   1  -1.969  12.810  -6.015
    2    H2   ALA   1           HT2      ALA   1  -2.359  12.637  -7.656
    3    H3   ALA   1           HT3      ALA   1  -0.922  11.974  -7.053
    4    HA   ALA   1           HA       ALA   1  -2.431  10.197  -7.331
    5    HB1  ALA   1           HB1      ALA   1  -2.421  10.915  -4.404
    6    HB2  ALA   1           HB2      ALA   1  -1.052  10.216  -5.270
    7    HB3  ALA   1           HB3      ALA   1  -2.556   9.304  -5.120
    8    HA   PRO   2           HA       PRO   2  -6.679  11.283  -7.440
    9    HB2  PRO   2           HB2      PRO   2  -7.141   8.455  -7.878
   10    HB3  PRO   2           HB1      PRO   2  -7.376   9.808  -8.972
   11    HG2  PRO   2           HG2      PRO   2  -5.416   8.021  -9.380
   12    HG3  PRO   2           HG1      PRO   2  -5.178   9.747  -9.728
   13    HD2  PRO   2           HD2      PRO   2  -4.374   8.206  -7.278
   14    HD3  PRO   2           HD1      PRO   2  -3.395   9.309  -8.273
   15    H    THR   3           HN       THR   3  -5.568   8.523  -5.555
   16    HA   THR   3           HA       THR   3  -7.833   8.962  -3.751
   17    HB   THR   3           HB       THR   3  -8.033   6.553  -3.388
   18    HG1  THR   3           HG1      THR   3  -6.900   5.320  -5.254
   19   HG21  THR   3          HG21      THR   3  -9.004   5.959  -5.595
   20   HG22  THR   3          HG22      THR   3  -8.241   7.396  -6.288
   21   HG23  THR   3          HG23      THR   3  -9.484   7.565  -5.046
   22    H    LEU   4           HN       LEU   4  -7.417   7.773  -1.585
   23    HA   LEU   4           HA       LEU   4  -5.161   9.078  -0.545
   24    HB2  LEU   4           HB2      LEU   4  -7.148   8.796   0.784
   25    HB3  LEU   4           HB1      LEU   4  -6.990   7.051   0.712
   26    HG   LEU   4           HG       LEU   4  -4.836   7.272   1.983
   27   HD11  LEU   4          HD11      LEU   4  -5.788  10.124   2.062
   28   HD12  LEU   4          HD12      LEU   4  -4.226   9.515   1.489
   29   HD13  LEU   4          HD13      LEU   4  -4.623   9.472   3.217
   30   HD21  LEU   4          HD21      LEU   4  -7.294   8.380   3.334
   31   HD22  LEU   4          HD22      LEU   4  -5.909   7.631   4.130
   32   HD23  LEU   4          HD23      LEU   4  -6.948   6.670   3.077
   33    H    GLN   5           HN       GLN   5  -5.720   5.652  -1.301
   34    HA   GLN   5           HA       GLN   5  -3.266   4.779  -0.175
   35    HB2  GLN   5           HB2      GLN   5  -5.284   3.337  -0.791
   36    HB3  GLN   5           HB1      GLN   5  -4.669   3.400  -2.439
   37    HG2  GLN   5           HG2      GLN   5  -2.433   2.650  -1.248
   38    HG3  GLN   5           HG1      GLN   5  -3.570   2.036  -0.054
   39   HE21  GLN   5          HE21      GLN   5  -1.750   0.600  -1.784
   40   HE22  GLN   5          HE22      GLN   5  -2.713  -0.471  -2.729
   41    H    GLU   6           HN       GLU   6  -4.132   6.157  -3.269
   42    HA   GLU   6           HA       GLU   6  -1.685   5.435  -4.560
   43    HB2  GLU   6           HB2      GLU   6  -3.882   6.165  -5.671
   44    HB3  GLU   6           HB1      GLU   6  -3.348   7.806  -5.333
   45    HG2  GLU   6           HG2      GLU   6  -2.663   7.392  -7.518
   46    HG3  GLU   6           HG1      GLU   6  -1.211   7.197  -6.546
   47    H    ALA   7           HN       ALA   7  -2.740   7.920  -2.414
   48    HA   ALA   7           HA       ALA   7  -0.457   9.635  -2.758
   49    HB1  ALA   7           HB1      ALA   7  -1.201  10.667  -0.650
   50    HB2  ALA   7           HB2      ALA   7  -2.409   9.392  -0.449
   51    HB3  ALA   7           HB3      ALA   7  -2.522  10.517  -1.809
   52    H    LEU   8           HN       LEU   8  -1.296   6.833  -0.875
   53    HA   LEU   8           HA       LEU   8   1.038   6.720   0.695
   54    HB2  LEU   8           HB2      LEU   8  -0.744   4.560  -0.327
   55    HB3  LEU   8           HB1      LEU   8   0.582   4.275   0.776
   56    HG   LEU   8           HG       LEU   8  -2.003   5.671   1.262
   57   HD11  LEU   8          HD11      LEU   8  -0.433   3.585   2.761
   58   HD12  LEU   8          HD12      LEU   8  -1.778   3.262   1.665
   59   HD13  LEU   8          HD13      LEU   8  -2.053   4.161   3.156
   60   HD21  LEU   8          HD21      LEU   8  -0.469   7.253   2.113
   61   HD22  LEU   8          HD22      LEU   8   0.555   5.987   2.792
   62   HD23  LEU   8          HD23      LEU   8  -1.034   6.299   3.491
   63    H    ASP   9           HN       ASP   9   0.154   5.216  -2.364
   64    HA   ASP   9           HA       ASP   9   2.522   3.999  -3.137
   65    HB2  ASP   9           HB2      ASP   9   0.415   3.814  -4.368
   66    HB3  ASP   9           HB1      ASP   9   0.434   5.528  -4.755
   67    H    ARG  10           HN       ARG  10   1.598   7.350  -3.094
   68    HA   ARG  10           HA       ARG  10   3.765   8.333  -4.717
   69    HB2  ARG  10           HB2      ARG  10   1.298   9.204  -4.175
   70    HB3  ARG  10           HB1      ARG  10   2.144  10.073  -2.913
   71    HG2  ARG  10           HG2      ARG  10   3.050  11.513  -4.341
   72    HG3  ARG  10           HG1      ARG  10   3.327  10.285  -5.586
   73    HD2  ARG  10           HD2      ARG  10   0.894  10.277  -6.021
   74    HD3  ARG  10           HD1      ARG  10   0.715  11.590  -4.867
   75    HE   ARG  10           HE       ARG  10   1.649  13.066  -6.390
   76   HH11  ARG  10          HH11      ARG  10   1.874   9.780  -7.597
   77   HH12  ARG  10          HH12      ARG  10   2.109  10.267  -9.248
   78   HH21  ARG  10          HH21      ARG  10   1.928  13.710  -8.561
   79   HH22  ARG  10          HH22      ARG  10   2.152  12.509  -9.800
   80    H    LYS  11           HN       LYS  11   3.000   7.987  -1.332
   81    HA   LYS  11           HA       LYS  11   5.297   9.296  -0.279
   82    HB2  LYS  11           HB2      LYS  11   3.226   8.861   0.993
   83    HB3  LYS  11           HB1      LYS  11   3.553   7.148   0.886
   84    HG2  LYS  11           HG2      LYS  11   4.143   8.209   3.051
   85    HG3  LYS  11           HG1      LYS  11   5.436   7.303   2.273
   86    HD2  LYS  11           HD2      LYS  11   6.381   9.295   3.087
   87    HD3  LYS  11           HD1      LYS  11   6.267   9.453   1.341
   88    HE2  LYS  11           HE2      LYS  11   4.553  10.986   1.469
   89    HE3  LYS  11           HE1      LYS  11   4.108  10.520   3.103
   90    HZ1  LYS  11           HZ1      LYS  11   5.242  12.669   3.033
   91    HZ2  LYS  11           HZ2      LYS  11   6.607  11.933   2.337
   92    HZ3  LYS  11           HZ3      LYS  11   6.138  11.526   3.916
   93    H    CYS  12           HN       CYS  12   4.372   6.030  -1.044
   94    HA   CYS  12           HA       CYS  12   6.683   4.617  -0.473
   95    HB2  CYS  12           HB2      CYS  12   4.530   4.232  -2.543
   96    HB3  CYS  12           HB1      CYS  12   5.766   3.032  -2.240
   97    HG   CYS  12           HG       CYS  12   3.267   4.037  -0.172
   98    H    ALA  13           HN       ALA  13   5.837   6.462  -3.347
   99    HA   ALA  13           HA       ALA  13   8.049   5.598  -4.917
  100    HB1  ALA  13           HB1      ALA  13   6.231   6.456  -6.109
  101    HB2  ALA  13           HB2      ALA  13   7.457   7.721  -6.234
  102    HB3  ALA  13           HB3      ALA  13   6.111   7.897  -5.096
  103    H    GLN  14           HN       GLN  14   7.587   7.977  -2.470
  104    HA   GLN  14           HA       GLN  14   9.849   9.601  -3.106
  105    HB2  GLN  14           HB2      GLN  14   7.993   9.404  -0.763
  106    HB3  GLN  14           HB1      GLN  14   9.352  10.529  -0.799
  107    HG2  GLN  14           HG2      GLN  14   8.466  11.523  -2.837
  108    HG3  GLN  14           HG1      GLN  14   7.104  10.413  -2.786
  109   HE21  GLN  14          HE21      GLN  14   5.430  10.801  -1.449
  110   HE22  GLN  14          HE22      GLN  14   5.257  12.259  -0.524
  111    H    PHE  15           HN       PHE  15   9.269   6.807  -1.168
  112    HA   PHE  15           HA       PHE  15  11.937   6.986   0.034
  113    HB2  PHE  15           HB2      PHE  15   9.769   4.943   0.532
  114    HB3  PHE  15           HB1      PHE  15  11.253   5.139   1.457
  115    HD1  PHE  15           HD2      PHE  15  11.469   7.930   1.978
  116    HD2  PHE  15           HD1      PHE  15   7.991   5.498   1.797
  117    HE1  PHE  15           HE2      PHE  15  10.294   9.509   3.453
  118    HE2  PHE  15           HE1      PHE  15   6.811   7.062   3.256
  119    HZ   PHE  15           HZ       PHE  15   7.952   9.074   4.077
  120    H    GLY  16           HN       GLY  16   9.947   4.624  -1.723
  121    HA2  GLY  16           HA2      GLY  16  11.837   2.639  -2.124
  122    HA3  GLY  16           HA1      GLY  16  10.494   2.985  -3.198
  123    H    LYS  17           HN       LYS  17  10.941   5.180  -4.448
  124    HA   LYS  17           HA       LYS  17  13.067   4.412  -6.185
  125    HB2  LYS  17           HB2      LYS  17  11.471   6.940  -6.366
  126    HB3  LYS  17           HB1      LYS  17  12.214   6.011  -7.661
  127    HG2  LYS  17           HG2      LYS  17   9.884   5.133  -5.991
  128    HG3  LYS  17           HG1      LYS  17   9.796   5.773  -7.625
  129    HD2  LYS  17           HD2      LYS  17  11.417   3.826  -8.206
  130    HD3  LYS  17           HD1      LYS  17  10.859   3.129  -6.677
  131    HE2  LYS  17           HE2      LYS  17   9.519   2.305  -8.507
  132    HE3  LYS  17           HE1      LYS  17   8.547   3.333  -7.455
  133    HZ1  LYS  17           HZ1      LYS  17   9.840   4.359  -9.914
  134    HZ2  LYS  17           HZ2      LYS  17   8.588   5.074  -9.016
  135    HZ3  LYS  17           HZ3      LYS  17   8.289   3.676  -9.935
  136    H    GLU  18           HN       GLU  18  12.715   6.679  -3.587
  137    HA   GLU  18           HA       GLU  18  14.979   8.264  -4.097
  138    HB2  GLU  18           HB2      GLU  18  13.602   8.909  -2.290
  139    HB3  GLU  18           HB1      GLU  18  13.718   7.332  -1.521
  140    HG2  GLU  18           HG2      GLU  18  16.045   7.738  -0.994
  141    HG3  GLU  18           HG1      GLU  18  15.999   9.276  -1.852
  142    H    SER  19           HN       SER  19  14.608   5.074  -2.669
  143    HA   SER  19           HA       SER  19  17.354   4.561  -2.220
  144    HB2  SER  19           HB2      SER  19  15.199   2.556  -2.866
  145    HB3  SER  19           HB1      SER  19  16.701   2.262  -1.985
  146    HG   SER  19           HG       SER  19  14.481   3.828  -1.154
  147    H    CYS  20           HN       CYS  20  15.194   4.084  -4.935
  148    HA   CYS  20           HA       CYS  20  16.948   2.782  -6.683
  149    HB2  CYS  20           HB2      CYS  20  15.054   2.804  -7.881
  150    HB3  CYS  20           HB1      CYS  20  14.358   3.944  -6.747
  151    HG   CYS  20           HG       CYS  20  15.560   4.477  -9.847
  152    H    ASN  21           HN       ASN  21  16.544   6.140  -5.831
  153    HA   ASN  21           HA       ASN  21  18.254   7.164  -7.885
  154    HB2  ASN  21           HB2      ASN  21  16.818   8.303  -5.549
  155    HB3  ASN  21           HB1      ASN  21  18.181   9.207  -6.201
  156   HD21  ASN  21          HD21      ASN  21  15.003   7.918  -6.893
  157   HD22  ASN  21          HD22      ASN  21  14.698   8.911  -8.289
  158    H    SER  22           HN       SER  22  18.743   6.093  -4.571
  159    HA   SER  22           HA       SER  22  21.395   7.201  -4.454
  160    HB2  SER  22           HB2      SER  22  21.567   5.825  -2.333
  161    HB3  SER  22           HB1      SER  22  20.271   7.021  -2.359
  162    HG   SER  22           HG       SER  22  19.880   4.672  -1.665
  163    H    GLY  23           HN       GLY  23  19.955   4.245  -5.550
  164    HA2  GLY  23           HA2      GLY  23  21.796   3.424  -7.253
  165    HA3  GLY  23           HA1      GLY  23  22.573   2.953  -5.754
  166    H    LEU  24           HN       LEU  24  19.435   2.577  -5.030
  167    HA   LEU  24           HA       LEU  24  19.612  -0.242  -5.137
  168    HB2  LEU  24           HB2      LEU  24  17.757   1.722  -4.087
  169    HB3  LEU  24           HB1      LEU  24  16.921   0.345  -4.780
  170    HG   LEU  24           HG       LEU  24  17.516   0.257  -2.281
  171   HD11  LEU  24          HD11      LEU  24  16.712  -1.660  -3.545
  172   HD12  LEU  24          HD12      LEU  24  17.951  -2.136  -2.386
  173   HD13  LEU  24          HD13      LEU  24  18.353  -1.994  -4.097
  174   HD21  LEU  24          HD21      LEU  24  20.201  -0.359  -3.503
  175   HD22  LEU  24          HD22      LEU  24  19.765  -0.599  -1.808
  176   HD23  LEU  24          HD23      LEU  24  19.812   1.030  -2.481
  177    H    ALA  25           HN       ALA  25  19.564  -1.349  -6.836
  178    HA   ALA  25           HA       ALA  25  18.565  -0.550  -9.356
  179    HB1  ALA  25           HB1      ALA  25  20.368  -2.184  -8.981
  180    HB2  ALA  25           HB2      ALA  25  19.095  -2.795 -10.038
  181    HB3  ALA  25           HB3      ALA  25  19.167  -3.316  -8.352
  182    H    SER  26           HN       SER  26  17.275  -2.342  -6.717
  183    HA   SER  26           HA       SER  26  15.190  -3.722  -7.800
  184    HB2  SER  26           HB2      SER  26  15.315  -2.311  -5.201
  185    HB3  SER  26           HB1      SER  26  14.239  -3.651  -5.572
  186    HG   SER  26           HG       SER  26  16.043  -4.975  -5.789
  187    H    TYR  27           HN       TYR  27  14.883  -0.485  -6.306
  188    HA   TYR  27           HA       TYR  27  12.204  -0.191  -7.265
  189    HB2  TYR  27           HB2      TYR  27  13.894   2.071  -6.203
  190    HB3  TYR  27           HB1      TYR  27  12.151   1.842  -6.102
  191    HD1  TYR  27           HD2      TYR  27  11.227   0.057  -4.624
  192    HD2  TYR  27           HD1      TYR  27  15.330   1.232  -4.494
  193    HE1  TYR  27           HE2      TYR  27  11.463  -1.038  -2.446
  194    HE2  TYR  27           HE1      TYR  27  15.567   0.109  -2.318
  195    HH   TYR  27           HH       TYR  27  14.357  -0.694  -0.514
  196    H    CYS  28           HN       CYS  28  15.237   0.292  -8.678
  197    HA   CYS  28           HA       CYS  28  14.655   2.554 -10.295
  198    HB2  CYS  28           HB2      CYS  28  16.958   1.839  -9.806
  199    HB3  CYS  28           HB1      CYS  28  16.685   0.349 -10.700
  200    HG   CYS  28           HG       CYS  28  18.232   1.797 -12.377
  201    H    GLY  29           HN       GLY  29  13.001   2.534 -11.668
  202    HA2  GLY  29           HA2      GLY  29  11.888   1.938 -13.628
  203    HA3  GLY  29           HA1      GLY  29  12.854   0.472 -13.707
  204    H    ALA  30           HN       ALA  30  11.708   0.709 -10.642
  205    HA   ALA  30           HA       ALA  30   9.746  -1.381 -11.153
  206    HB1  ALA  30           HB1      ALA  30  10.938  -0.347  -8.586
  207    HB2  ALA  30           HB2      ALA  30  11.351  -1.840  -9.430
  208    HB3  ALA  30           HB3      ALA  30   9.760  -1.656  -8.691
  209    H    ALA  31           HN       ALA  31   7.717  -1.361  -9.946
  210    HA   ALA  31           HA       ALA  31   6.533   1.316  -9.698
  211    HB1  ALA  31           HB1      ALA  31   4.391   0.158  -9.931
  212    HB2  ALA  31           HB2      ALA  31   5.251  -1.383 -10.079
  213    HB3  ALA  31           HB3      ALA  31   5.447  -0.131 -11.313
  214    H    ILE  32           HN       ILE  32   6.515   1.980  -7.547
  215    HA   ILE  32           HA       ILE  32   6.438  -0.193  -5.589
  216    HB   ILE  32           HB       ILE  32   8.372   1.365  -5.400
  217   HG12  ILE  32          HG12      ILE  32   6.743   1.807  -2.950
  218   HG13  ILE  32          HG11      ILE  32   6.999   0.144  -3.464
  219   HG21  ILE  32          HG21      ILE  32   6.316   3.378  -4.540
  220   HG22  ILE  32          HG22      ILE  32   7.153   3.386  -6.095
  221   HG23  ILE  32          HG23      ILE  32   8.066   3.594  -4.598
  222   HD11  ILE  32          HD11      ILE  32   9.184   2.137  -2.954
  223   HD12  ILE  32          HD12      ILE  32   9.383   0.420  -3.349
  224   HD13  ILE  32          HD13      ILE  32   8.641   0.904  -1.814
  225    H    TYR  33           HN       TYR  33   4.875  -0.435  -4.172
  226    HA   TYR  33           HA       TYR  33   2.642   1.484  -4.278
  227    HB2  TYR  33           HB2      TYR  33   2.442  -1.527  -4.092
  228    HB3  TYR  33           HB1      TYR  33   1.108  -0.392  -4.205
  229    HD1  TYR  33           HD1      TYR  33   0.724   0.855  -6.318
  230    HD2  TYR  33           HD2      TYR  33   3.576  -2.290  -6.029
  231    HE1  TYR  33           HE1      TYR  33   0.764   0.690  -8.757
  232    HE2  TYR  33           HE2      TYR  33   3.635  -2.458  -8.486
  233    HH   TYR  33           HH       TYR  33   2.192  -0.092 -10.528
  234    H    ALA  34           HN       ALA  34   1.158   1.272  -2.395
  235    HA   ALA  34           HA       ALA  34   2.729   0.814   0.045
  236    HB1  ALA  34           HB1      ALA  34   1.345   2.957  -0.477
  237    HB2  ALA  34           HB2      ALA  34   1.335   2.259   1.152
  238    HB3  ALA  34           HB3      ALA  34  -0.022   1.957   0.054
  239    H    ARG  35           HN       ARG  35   2.493  -1.051   1.038
  240    HA   ARG  35           HA       ARG  35  -0.189  -2.191   1.109
  241    HB2  ARG  35           HB2      ARG  35   1.660  -3.289  -0.550
  242    HB3  ARG  35           HB1      ARG  35   2.005  -4.178   0.923
  243    HG2  ARG  35           HG2      ARG  35   0.415  -5.389  -0.430
  244    HG3  ARG  35           HG1      ARG  35  -0.346  -4.848   1.066
  245    HD2  ARG  35           HD2      ARG  35  -1.832  -4.490  -0.826
  246    HD3  ARG  35           HD1      ARG  35  -1.334  -2.945  -0.133
  247    HE   ARG  35           HE       ARG  35   0.475  -3.340  -2.096
  248   HH11  ARG  35          HH11      ARG  35  -3.017  -3.506  -2.137
  249   HH12  ARG  35          HH12      ARG  35  -3.148  -2.956  -3.776
  250   HH21  ARG  35          HH21      ARG  35   0.290  -2.560  -4.248
  251   HH22  ARG  35          HH22      ARG  35  -1.279  -2.404  -4.967
  252    H    TYR  36           HN       TYR  36  -0.776  -2.321   3.121
  253    HA   TYR  36           HA       TYR  36   1.072  -2.422   5.325
  254    HB2  TYR  36           HB2      TYR  36  -1.256  -1.386   5.369
  255    HB3  TYR  36           HB1      TYR  36  -1.899  -3.026   5.367
  256    HD1  TYR  36           HD1      TYR  36   0.247  -0.684   7.294
  257    HD2  TYR  36           HD2      TYR  36  -2.053  -4.253   7.318
  258    HE1  TYR  36           HE1      TYR  36   0.431  -0.783   9.737
  259    HE2  TYR  36           HE2      TYR  36  -1.903  -4.361   9.753
  260    HH   TYR  36           HH       TYR  36  -0.842  -1.794  11.650
  261    H    ASP  37           HN       ASP  37   2.290  -4.299   4.868
  262    HA   ASP  37           HA       ASP  37   0.978  -6.816   5.422
  263    HB2  ASP  37           HB2      ASP  37   1.318  -6.169   2.766
  264    HB3  ASP  37           HB1      ASP  37   2.807  -7.044   3.130
  265    H    LYS  38           HN       LYS  38   2.905  -8.594   5.080
  266    HA   LYS  38           HA       LYS  38   4.930  -7.834   6.965
  267    HB2  LYS  38           HB2      LYS  38   4.632 -10.270   5.208
  268    HB3  LYS  38           HB1      LYS  38   5.861 -10.090   6.448
  269    HG2  LYS  38           HG2      LYS  38   4.184 -10.002   8.159
  270    HG3  LYS  38           HG1      LYS  38   2.903 -10.028   6.958
  271    HD2  LYS  38           HD2      LYS  38   4.817 -12.211   7.711
  272    HD3  LYS  38           HD1      LYS  38   3.057 -12.222   7.789
  273    HE2  LYS  38           HE2      LYS  38   2.981 -12.094   5.330
  274    HE3  LYS  38           HE1      LYS  38   4.741 -12.179   5.301
  275    HZ1  LYS  38           HZ1      LYS  38   4.591 -14.353   6.405
  276    HZ2  LYS  38           HZ2      LYS  38   3.803 -14.352   4.903
  277    HZ3  LYS  38           HZ3      LYS  38   2.898 -14.269   6.335
  278    H    GLY  39           HN       GLY  39   7.182  -7.770   6.563
  279    HA2  GLY  39           HA2      GLY  39   7.835  -6.841   3.870
  280    HA3  GLY  39           HA1      GLY  39   8.841  -6.663   5.304
  281    H    ASN  40           HN       ASN  40  10.602  -7.794   5.182
  282    HA   ASN  40           HA       ASN  40  10.949 -10.048   3.454
  283    HB2  ASN  40           HB2      ASN  40  12.660  -8.271   4.219
  284    HB3  ASN  40           HB1      ASN  40  12.766  -9.178   5.718
  285   HD21  ASN  40          HD21      ASN  40  14.841  -8.612   3.875
  286   HD22  ASN  40          HD22      ASN  40  15.436 -10.119   3.254
  287    H    SER  41           HN       SER  41  12.253 -11.981   4.835
  288    HA   SER  41           HA       SER  41  10.142 -13.527   5.731
  289    HB2  SER  41           HB2      SER  41  12.306 -14.399   4.873
  290    HB3  SER  41           HB1      SER  41  13.057 -13.958   6.407
  291    HG   SER  41           HG       SER  41  12.460 -16.116   6.483
  292    H    SER  42           HN       SER  42  12.743 -12.184   7.802
  293    HA   SER  42           HA       SER  42  11.264 -12.899  10.185
  294    HB2  SER  42           HB2      SER  42  13.793 -12.965   9.973
  295    HB3  SER  42           HB1      SER  42  13.764 -11.205  10.007
  296    HG   SER  42           HG       SER  42  12.654 -11.406  12.060
  297    H    GLN  43           HN       GLN  43  11.164 -10.434   8.004
  298    HA   GLN  43           HA       GLN  43  10.499  -8.345   9.915
  299    HB2  GLN  43           HB2      GLN  43  10.999  -8.287   6.942
  300    HB3  GLN  43           HB1      GLN  43  10.397  -6.898   7.833
  301    HG2  GLN  43           HG2      GLN  43  12.632  -6.447   7.819
  302    HG3  GLN  43           HG1      GLN  43  12.492  -7.320   9.340
  303   HE21  GLN  43          HE21      GLN  43  14.820  -6.945   7.663
  304   HE22  GLN  43          HE22      GLN  43  15.373  -8.524   7.217
  305    H    GLN  44           HN       GLN  44   8.829 -10.672   9.424
  306    HA   GLN  44           HA       GLN  44   6.441 -10.140   8.086
  307    HB2  GLN  44           HB2      GLN  44   5.478 -11.760   9.695
  308    HB3  GLN  44           HB1      GLN  44   6.984 -12.297   8.977
  309    HG2  GLN  44           HG2      GLN  44   8.149 -11.546  11.040
  310    HG3  GLN  44           HG1      GLN  44   6.569 -11.178  11.716
  311   HE21  GLN  44          HE21      GLN  44   7.129 -13.985   9.691
  312   HE22  GLN  44          HE22      GLN  44   6.917 -15.145  10.943
  313    H    THR  45           HN       THR  45   4.514 -10.364  10.285
  314    HA   THR  45           HA       THR  45   2.948  -9.022  11.128
  315    HB   THR  45           HB       THR  45   3.611  -7.203  12.694
  316    HG1  THR  45           HG1      THR  45   5.997  -7.474  11.482
  317   HG21  THR  45          HG21      THR  45   4.919  -9.885  13.085
  318   HG22  THR  45          HG22      THR  45   3.261  -9.447  13.499
  319   HG23  THR  45          HG23      THR  45   4.609  -8.709  14.365
  320    H    LYS  46           HN       LYS  46   1.654  -7.858   9.954
  321    HA   LYS  46           HA       LYS  46   2.583  -6.238   7.847
  322    HB2  LYS  46           HB2      LYS  46  -0.165  -6.114   9.047
  323    HB3  LYS  46           HB1      LYS  46   0.311  -5.620   7.438
  324    HG2  LYS  46           HG2      LYS  46   1.067  -8.174   7.325
  325    HG3  LYS  46           HG1      LYS  46  -0.238  -8.312   8.502
  326    HD2  LYS  46           HD2      LYS  46  -1.716  -7.080   6.898
  327    HD3  LYS  46           HD1      LYS  46  -0.406  -7.141   5.735
  328    HE2  LYS  46           HE2      LYS  46  -0.416  -9.681   6.131
  329    HE3  LYS  46           HE1      LYS  46  -2.010  -9.408   6.831
  330    HZ1  LYS  46           HZ1      LYS  46  -1.214  -8.589   4.083
  331    HZ2  LYS  46           HZ2      LYS  46  -2.770  -8.491   4.764
  332    HZ3  LYS  46           HZ3      LYS  46  -2.071 -10.004   4.455
  333    H    GLU  47           HN       GLU  47   3.283  -4.306   7.833
  334    HA   GLU  47           HA       GLU  47   2.055  -2.212   9.422
  335    HB2  GLU  47           HB2      GLU  47   5.058  -2.586   9.262
  336    HB3  GLU  47           HB1      GLU  47   4.246  -1.148   9.880
  337    HG2  GLU  47           HG2      GLU  47   3.320  -2.385  11.703
  338    HG3  GLU  47           HG1      GLU  47   3.895  -3.896  11.027
  339    H    TRP  48           HN       TRP  48   2.231  -0.173   8.303
  340    HA   TRP  48           HA       TRP  48   2.106  -0.407   5.539
  341    HB2  TRP  48           HB2      TRP  48   2.495   1.940   7.352
  342    HB3  TRP  48           HB1      TRP  48   2.561   2.128   5.606
  343    HD1  TRP  48           HD1      TRP  48   0.207   2.377   8.336
  344    HE1  TRP  48           HE1      TRP  48  -2.220   2.323   7.450
  345    HE3  TRP  48           HE3      TRP  48   1.082   0.594   3.636
  346    HZ2  TRP  48           HZ2      TRP  48  -3.583   1.575   5.091
  347    HZ3  TRP  48           HZ3      TRP  48  -0.825   0.226   2.130
  348    HH2  TRP  48           HH2      TRP  48  -3.115   0.706   2.850
  349    H    ARG  49           HN       ARG  49   3.690  -1.032   4.287
  350    HA   ARG  49           HA       ARG  49   6.297   0.263   4.633
  351    HB2  ARG  49           HB2      ARG  49   5.674  -2.618   4.001
  352    HB3  ARG  49           HB1      ARG  49   7.228  -1.897   3.608
  353    HG2  ARG  49           HG2      ARG  49   7.740  -1.528   5.883
  354    HG3  ARG  49           HG1      ARG  49   6.092  -1.892   6.392
  355    HD2  ARG  49           HD2      ARG  49   6.386  -4.208   5.638
  356    HD3  ARG  49           HD1      ARG  49   8.038  -3.833   5.154
  357    HE   ARG  49           HE       ARG  49   8.601  -3.557   7.450
  358   HH11  ARG  49          HH11      ARG  49   5.436  -4.934   6.857
  359   HH12  ARG  49          HH12      ARG  49   5.282  -5.589   8.463
  360   HH21  ARG  49          HH21      ARG  49   8.380  -4.391   9.567
  361   HH22  ARG  49          HH22      ARG  49   6.933  -5.236  10.010
  362    H    CYS  50           HN       CYS  50   7.519   0.267   2.556
  363    HA   CYS  50           HA       CYS  50   5.655   0.705   0.340
  364    HB2  CYS  50           HB2      CYS  50   8.579   1.475   0.590
  365    HB3  CYS  50           HB1      CYS  50   7.452   2.012  -0.661
  366    HG   CYS  50           HG       CYS  50   5.805   3.176   1.535
  367    H    TYR  51           HN       TYR  51   5.494  -0.837  -1.105
  368    HA   TYR  51           HA       TYR  51   7.699  -2.778  -1.363
  369    HB2  TYR  51           HB2      TYR  51   4.733  -3.312  -1.592
  370    HB3  TYR  51           HB1      TYR  51   6.004  -4.496  -1.839
  371    HD1  TYR  51           HD1      TYR  51   7.771  -4.068   0.427
  372    HD2  TYR  51           HD2      TYR  51   3.542  -3.949   0.194
  373    HE1  TYR  51           HE1      TYR  51   7.637  -4.695   2.799
  374    HE2  TYR  51           HE2      TYR  51   3.384  -4.563   2.572
  375    HH   TYR  51           HH       TYR  51   4.944  -5.841   4.231
  376    H    ILE  52           HN       ILE  52   8.574  -2.613  -3.339
  377    HA   ILE  52           HA       ILE  52   7.104  -1.529  -5.517
  378    HB   ILE  52           HB       ILE  52   9.009  -2.610  -6.888
  379   HG12  ILE  52          HG12      ILE  52  10.223  -2.641  -4.167
  380   HG13  ILE  52          HG11      ILE  52   9.770  -4.089  -5.080
  381   HG21  ILE  52          HG21      ILE  52   9.657  -0.475  -4.879
  382   HG22  ILE  52          HG22      ILE  52   8.721  -0.205  -6.354
  383   HG23  ILE  52          HG23      ILE  52  10.409  -0.710  -6.457
  384   HD11  ILE  52          HD11      ILE  52  12.178  -3.431  -5.246
  385   HD12  ILE  52          HD12      ILE  52  11.646  -1.987  -6.126
  386   HD13  ILE  52          HD13      ILE  52  11.334  -3.607  -6.783
  387    H    GLU  53           HN       GLU  53   6.365  -2.585  -7.327
  388    HA   GLU  53           HA       GLU  53   4.609  -4.620  -6.926
  389    HB2  GLU  53           HB2      GLU  53   4.495  -3.117  -8.801
  390    HB3  GLU  53           HB1      GLU  53   5.966  -3.780  -9.490
  391    HG2  GLU  53           HG2      GLU  53   4.812  -5.951  -9.736
  392    HG3  GLU  53           HG1      GLU  53   3.330  -5.183  -9.142
  393    H    LYS  54           HN       LYS  54   7.969  -4.867  -7.660
  394    HA   LYS  54           HA       LYS  54   8.296  -7.464  -8.515
  395    HB2  LYS  54           HB2      LYS  54   9.895  -5.525  -6.912
  396    HB3  LYS  54           HB1      LYS  54  10.413  -7.192  -6.853
  397    HG2  LYS  54           HG2      LYS  54  11.627  -5.923  -8.538
  398    HG3  LYS  54           HG1      LYS  54  10.705  -7.241  -9.255
  399    HD2  LYS  54           HD2      LYS  54   9.304  -4.656  -9.123
  400    HD3  LYS  54           HD1      LYS  54  10.715  -4.692 -10.182
  401    HE2  LYS  54           HE2      LYS  54   9.753  -6.765 -11.224
  402    HE3  LYS  54           HE1      LYS  54   8.286  -6.471 -10.288
  403    HZ1  LYS  54           HZ1      LYS  54   8.011  -4.367 -11.401
  404    HZ2  LYS  54           HZ2      LYS  54   8.159  -5.590 -12.562
  405    HZ3  LYS  54           HZ3      LYS  54   9.472  -4.565 -12.235
  406    H    GLU  55           HN       GLU  55   7.674  -6.221  -5.305
  407    HA   GLU  55           HA       GLU  55   8.252  -8.792  -4.082
  408    HB2  GLU  55           HB2      GLU  55   7.777  -6.129  -2.785
  409    HB3  GLU  55           HB1      GLU  55   8.497  -7.548  -2.056
  410    HG2  GLU  55           HG2      GLU  55   9.665  -6.042  -4.372
  411    HG3  GLU  55           HG1      GLU  55  10.152  -5.819  -2.694
  412    H    LEU  56           HN       LEU  56   5.530  -6.961  -5.016
  413    HA   LEU  56           HA       LEU  56   3.767  -8.150  -3.063
  414    HB2  LEU  56           HB2      LEU  56   3.272  -6.434  -5.481
  415    HB3  LEU  56           HB1      LEU  56   1.983  -7.155  -4.557
  416    HG   LEU  56           HG       LEU  56   2.835  -5.869  -2.529
  417   HD11  LEU  56          HD11      LEU  56   4.426  -4.513  -4.720
  418   HD12  LEU  56          HD12      LEU  56   5.089  -5.449  -3.380
  419   HD13  LEU  56          HD13      LEU  56   4.244  -3.932  -3.065
  420   HD21  LEU  56          HD21      LEU  56   0.896  -5.142  -3.721
  421   HD22  LEU  56          HD22      LEU  56   1.874  -4.466  -5.029
  422   HD23  LEU  56          HD23      LEU  56   1.907  -3.727  -3.421
  423    H    ASP  57           HN       ASP  57   1.773  -9.162  -3.960
  424    HA   ASP  57           HA       ASP  57   2.207 -10.730  -6.409
  425    HB2  ASP  57           HB2      ASP  57   2.496 -12.130  -4.311
  426    HB3  ASP  57           HB1      ASP  57   0.819 -11.765  -3.927
  427    H    PHE  58           HN       PHE  58   0.611 -10.311  -7.827
  428    HA   PHE  58           HA       PHE  58  -1.741  -8.890  -6.827
  429    HB2  PHE  58           HB2      PHE  58  -0.471  -9.172  -9.522
  430    HB3  PHE  58           HB1      PHE  58  -2.160  -8.687  -9.398
  431    HD1  PHE  58           HD1      PHE  58   1.287  -7.763  -8.427
  432    HD2  PHE  58           HD2      PHE  58  -2.776  -6.527  -8.755
  433    HE1  PHE  58           HE1      PHE  58   1.976  -5.437  -8.026
  434    HE2  PHE  58           HE2      PHE  58  -2.085  -4.190  -8.359
  435    HZ   PHE  58           HZ       PHE  58   0.287  -3.647  -7.993
  436    H    SER  59           HN       SER  59  -1.019 -11.974  -7.033
  437    HA   SER  59           HA       SER  59  -3.626 -12.832  -8.039
  438    HB2  SER  59           HB2      SER  59  -1.660 -14.185  -8.673
  439    HB3  SER  59           HB1      SER  59  -1.345 -14.477  -6.970
  440    HG   SER  59           HG       SER  59  -3.655 -15.266  -8.421
  441    H    LYS  60           HN       LYS  60  -2.070 -11.655  -5.426
  442    HA   LYS  60           HA       LYS  60  -3.959 -12.723  -3.467
  443    HB2  LYS  60           HB2      LYS  60  -1.296 -11.397  -3.333
  444    HB3  LYS  60           HB1      LYS  60  -2.448 -11.019  -2.085
  445    HG2  LYS  60           HG2      LYS  60  -1.141 -12.739  -1.203
  446    HG3  LYS  60           HG1      LYS  60  -2.652 -13.507  -1.679
  447    HD2  LYS  60           HD2      LYS  60  -0.377 -13.444  -3.606
  448    HD3  LYS  60           HD1      LYS  60  -0.333 -14.591  -2.269
  449    HE2  LYS  60           HE2      LYS  60  -2.388 -15.596  -2.990
  450    HE3  LYS  60           HE1      LYS  60  -2.623 -14.346  -4.212
  451    HZ1  LYS  60           HZ1      LYS  60  -0.624 -15.124  -5.329
  452    HZ2  LYS  60           HZ2      LYS  60  -1.774 -16.367  -5.199
  453    HZ3  LYS  60           HZ3      LYS  60  -0.428 -16.347  -4.166
  454    H    SER  61           HN       SER  61  -5.708 -11.483  -2.989
  455    HA   SER  61           HA       SER  61  -5.731  -8.737  -3.935
  456    HB2  SER  61           HB2      SER  61  -7.986  -8.772  -2.613
  457    HB3  SER  61           HB1      SER  61  -7.866  -9.629  -4.148
  458    HG   SER  61           HG       SER  61  -7.573 -10.795  -1.560
  459    H    GLY  62           HN       GLY  62  -5.052  -7.115  -2.729
  460    HA2  GLY  62           HA2      GLY  62  -3.822  -7.757  -0.206
  461    HA3  GLY  62           HA1      GLY  62  -3.713  -6.228  -1.065
  462    H    ASP  63           HN       ASP  63  -5.407  -8.071   1.300
  463    HA   ASP  63           HA       ASP  63  -7.364  -6.014   1.842
  464    HB2  ASP  63           HB2      ASP  63  -6.538  -8.261   3.700
  465    HB3  ASP  63           HB1      ASP  63  -8.063  -7.385   3.686
  466    H    GLY  64           HN       GLY  64  -4.536  -5.385   1.754
  467    HA2  GLY  64           HA2      GLY  64  -4.064  -4.446   4.513
  468    HA3  GLY  64           HA1      GLY  64  -2.765  -5.066   3.507
  469    H    CYS  65           HN       CYS  65  -5.311  -3.262   2.099
  470    HA   CYS  65           HA       CYS  65  -3.493  -0.977   1.638
  471    HB2  CYS  65           HB2      CYS  65  -6.082  -1.550   0.189
  472    HB3  CYS  65           HB1      CYS  65  -4.729  -0.559  -0.342
  473    HG   CYS  65           HG       CYS  65  -5.062  -3.931  -0.414
  474    H    VAL  66           HN       VAL  66  -4.629   1.123   1.601
  475    HA   VAL  66           HA       VAL  66  -6.966   1.165   3.386
  476    HB   VAL  66           HB       VAL  66  -5.333   2.508   4.427
  477   HG11  VAL  66          HG11      VAL  66  -3.748   2.522   2.576
  478   HG12  VAL  66          HG12      VAL  66  -3.945   4.139   3.264
  479   HG13  VAL  66          HG13      VAL  66  -4.738   3.726   1.739
  480   HG21  VAL  66          HG21      VAL  66  -6.607   4.676   2.825
  481   HG22  VAL  66          HG22      VAL  66  -6.286   4.601   4.564
  482   HG23  VAL  66          HG23      VAL  66  -7.601   3.648   3.861
  483    H    ASP  67           HN       ASP  67  -8.665   2.499   2.748
  484    HA   ASP  67           HA       ASP  67  -9.016   2.505  -0.136
  485    HB2  ASP  67           HB2      ASP  67 -10.687   1.674   1.671
  486    HB3  ASP  67           HB1      ASP  67 -11.073   3.383   1.867
  487    H    ASP  68           HN       ASP  68 -10.894   4.804  -0.155
  488    HA   ASP  68           HA       ASP  68  -8.927   6.879  -0.365
  489    HB2  ASP  68           HB2      ASP  68 -10.828   8.440  -0.758
  490    HB3  ASP  68           HB1      ASP  68 -10.803   7.066  -1.854
  491    H    CYS  69           HN       CYS  69 -11.300   5.965   2.028
  492    HA   CYS  69           HA       CYS  69 -10.311   8.031   3.842
  493    HB2  CYS  69           HB2      CYS  69 -12.732   7.565   3.853
  494    HB3  CYS  69           HB1      CYS  69 -12.414   5.871   4.207
  495    HG   CYS  69           HG       CYS  69 -13.319   7.782   6.384
  496    H    GLY  70           HN       GLY  70  -9.243   7.414   5.838
  497    HA2  GLY  70           HA2      GLY  70  -7.417   5.244   5.487
  498    HA3  GLY  70           HA1      GLY  70  -7.566   6.264   6.919
  499    H    SER  71           HN       SER  71  -9.303   3.765   5.192
  500    HA   SER  71           HA       SER  71  -9.377   2.135   7.614
  501    HB2  SER  71           HB2      SER  71 -11.623   3.211   7.213
  502    HB3  SER  71           HB1      SER  71 -11.672   2.396   5.653
  503    HG   SER  71           HG       SER  71 -12.745   1.079   7.037
  504    H    MET  72           HN       MET  72  -8.989  -0.081   7.101
  505    HA   MET  72           HA       MET  72  -7.443  -0.346   4.741
  506    HB2  MET  72           HB2      MET  72  -8.363  -2.532   6.598
  507    HB3  MET  72           HB1      MET  72  -7.107  -2.656   5.373
  508    HG2  MET  72           HG2      MET  72  -5.754  -1.033   6.557
  509    HG3  MET  72           HG1      MET  72  -7.016  -0.846   7.771
  510    HE1  MET  72           HE1      MET  72  -7.037  -4.406   9.439
  511    HE2  MET  72           HE2      MET  72  -8.011  -3.889   8.064
  512    HE3  MET  72           HE3      MET  72  -7.764  -2.798   9.427
  513    H    THR  73           HN       THR  73  -7.833  -1.225   2.857
  514    HA   THR  73           HA       THR  73 -10.470  -2.394   2.356
  515    HB   THR  73           HB       THR  73 -10.279   0.010   1.611
  516    HG1  THR  73           HG1      THR  73 -11.360  -0.411  -0.323
  517   HG21  THR  73          HG21      THR  73  -9.014   0.509  -0.380
  518   HG22  THR  73          HG22      THR  73  -8.455  -1.164  -0.487
  519   HG23  THR  73          HG23      THR  73  -7.928  -0.139   0.850
  520    H    SER  74           HN       SER  74 -10.452  -3.561   0.183
  521    HA   SER  74           HA       SER  74  -7.996  -5.129   0.099
  522    HB2  SER  74           HB2      SER  74 -10.698  -5.875  -0.950
  523    HB3  SER  74           HB1      SER  74  -9.314  -6.941  -0.778
  524    HG   SER  74           HG       SER  74  -9.792  -7.214   1.245
  525    H    CYS  75           HN       CYS  75  -6.673  -4.708  -1.513
  526    HA   CYS  75           HA       CYS  75  -7.741  -4.393  -4.218
  527    HB2  CYS  75           HB2      CYS  75  -7.355  -2.113  -3.399
  528    HB3  CYS  75           HB1      CYS  75  -5.706  -2.546  -2.977
  529    HG   CYS  75           HG       CYS  75  -7.024  -2.217  -6.112
  530    H    ARG  76           HN       ARG  76  -6.518  -5.493  -5.723
  531    HA   ARG  76           HA       ARG  76  -4.946  -7.582  -4.744
  532    HB2  ARG  76           HB2      ARG  76  -5.274  -6.505  -7.524
  533    HB3  ARG  76           HB1      ARG  76  -4.288  -7.910  -7.166
  534    HG2  ARG  76           HG2      ARG  76  -7.073  -7.825  -6.187
  535    HG3  ARG  76           HG1      ARG  76  -6.767  -8.171  -7.857
  536    HD2  ARG  76           HD2      ARG  76  -5.057  -9.850  -6.912
  537    HD3  ARG  76           HD1      ARG  76  -6.065  -9.724  -5.479
  538    HE   ARG  76           HE       ARG  76  -7.406 -10.281  -8.003
  539   HH11  ARG  76          HH11      ARG  76  -6.238 -11.492  -4.933
  540   HH12  ARG  76          HH12      ARG  76  -7.121 -12.982  -5.028
  541   HH21  ARG  76          HH21      ARG  76  -8.574 -12.245  -8.131
  542   HH22  ARG  76          HH22      ARG  76  -8.433 -13.413  -6.857
  543    H    GLY  77           HN       GLY  77  -3.053  -7.660  -4.036
  544    HA2  GLY  77           HA2      GLY  77  -0.676  -7.157  -5.005
  545    HA3  GLY  77           HA1      GLY  77  -1.145  -5.521  -4.547
  546    H    SER  78           HN       SER  78   0.262  -8.357  -3.448
  547    HA   SER  78           HA       SER  78   0.607  -7.215  -0.863
  548    HB2  SER  78           HB2      SER  78  -1.598  -9.094  -1.299
  549    HB3  SER  78           HB1      SER  78  -0.475  -9.636  -0.052
  550    HG   SER  78           HG       SER  78  -0.998  -7.991   1.208
  551    H    VAL  79           HN       VAL  79   2.090  -8.214   0.404
  552    HA   VAL  79           HA       VAL  79   4.151  -9.420  -1.074
  553    HB   VAL  79           HB       VAL  79   3.849  -8.956   1.880
  554   HG11  VAL  79          HG11      VAL  79   6.139  -9.406   2.185
  555   HG12  VAL  79          HG12      VAL  79   6.444  -9.441   0.446
  556   HG13  VAL  79          HG13      VAL  79   5.533 -10.750   1.210
  557   HG21  VAL  79          HG21      VAL  79   5.304  -7.417  -0.265
  558   HG22  VAL  79          HG22      VAL  79   5.324  -7.042   1.459
  559   HG23  VAL  79          HG23      VAL  79   3.817  -6.929   0.551
  560    H    SER  80           HN       SER  80   3.660 -11.415  -1.861
  561    HA   SER  80           HA       SER  80   2.370 -13.446  -0.347
  562    HB2  SER  80           HB2      SER  80   2.234 -13.295  -2.789
  563    HB3  SER  80           HB1      SER  80   3.946 -13.687  -2.907
  564    HG   SER  80           HG       SER  80   1.997 -15.348  -1.672
  565    H    GLY  81           HN       GLY  81   5.586 -13.590  -1.856
  566    HA2  GLY  81           HA2      GLY  81   6.641 -15.073   0.434
  567    HA3  GLY  81           HA1      GLY  81   7.469 -14.770  -1.096
  568    HA   PRO  82           HA       PRO  82   8.580 -11.929   2.565
  569    HB2  PRO  82           HB2      PRO  82  11.302 -12.957   2.090
  570    HB3  PRO  82           HB1      PRO  82  10.430 -12.740   3.609
  571    HG2  PRO  82           HG2      PRO  82  10.783 -15.182   2.630
  572    HG3  PRO  82           HG1      PRO  82   9.239 -14.730   3.374
  573    HD2  PRO  82           HD2      PRO  82   9.944 -14.908   0.471
  574    HD3  PRO  82           HD1      PRO  82   8.497 -15.495   1.319
  575    H    SER  83           HN       SER  83   8.898  -9.875   2.049
  576    HA   SER  83           HA       SER  83   9.924  -9.300  -0.607
  577    HB2  SER  83           HB2      SER  83   8.936  -7.048  -0.177
  578    HB3  SER  83           HB1      SER  83   7.775  -8.359  -0.106
  579    HG   SER  83           HG       SER  83   7.536  -8.060   1.994
  580    H    THR  84           HN       THR  84  11.907  -8.633  -0.927
  581    HA   THR  84           HA       THR  84  13.514  -7.691   1.323
  582    HB   THR  84           HB       THR  84  14.546  -8.022  -1.476
  583    HG1  THR  84           HG1      THR  84  13.661 -10.010  -1.203
  584   HG21  THR  84          HG21      THR  84  15.775  -8.440   1.254
  585   HG22  THR  84          HG22      THR  84  16.021  -7.041   0.207
  586   HG23  THR  84          HG23      THR  84  16.610  -8.629  -0.289
  587    H    SER  85           HN       SER  85  12.452  -6.722  -1.906
  588    HA   SER  85           HA       SER  85  13.710  -4.142  -1.728
  589    HB2  SER  85           HB2      SER  85  11.617  -5.048  -3.751
  590    HB3  SER  85           HB1      SER  85  12.820  -3.762  -3.924
  591    HG   SER  85           HG       SER  85  13.147  -6.151  -4.753
  592    H    HIS  86           HN       HIS  86  12.793  -3.225   0.146
  593    HA   HIS  86           HA       HIS  86  10.188  -2.078  -0.138
  594    HB2  HIS  86           HB2      HIS  86   9.034  -3.211   1.583
  595    HB3  HIS  86           HB1      HIS  86   9.744  -4.471   0.585
  596    HD1  HIS  86           HD1      HIS  86  12.383  -5.061   1.695
  597    HD2  HIS  86           HD2      HIS  86   9.279  -3.850   4.175
  598    HE1  HIS  86           HE1      HIS  86  13.035  -5.801   4.003
  599    HE2  HIS  86           HE2      HIS  86  11.262  -4.835   5.512
  600    H    LEU  87           HN       LEU  87   9.608  -0.694   1.639
  601    HA   LEU  87           HA       LEU  87  11.804  -0.067   3.498
  602    HB2  LEU  87           HB2      LEU  87  10.167   1.885   1.877
  603    HB3  LEU  87           HB1      LEU  87  11.172   2.361   3.229
  604    HG   LEU  87           HG       LEU  87  13.021   1.083   1.765
  605   HD11  LEU  87          HD11      LEU  87  11.080   2.167  -0.261
  606   HD12  LEU  87          HD12      LEU  87  11.447   0.465   0.013
  607   HD13  LEU  87          HD13      LEU  87  12.698   1.550  -0.595
  608   HD21  LEU  87          HD21      LEU  87  12.097   3.903   1.276
  609   HD22  LEU  87          HD22      LEU  87  13.695   3.255   0.912
  610   HD23  LEU  87          HD23      LEU  87  13.151   3.377   2.587
  611    H    THR  88           HN       THR  88  11.072  -0.216   5.562
  612    HA   THR  88           HA       THR  88   8.223  -0.221   6.067
  613    HB   THR  88           HB       THR  88  10.353  -0.159   8.189
  614    HG1  THR  88           HG1      THR  88  10.999  -1.945   7.177
  615   HG21  THR  88          HG21      THR  88   7.591  -1.350   8.108
  616   HG22  THR  88          HG22      THR  88   8.056   0.138   8.944
  617   HG23  THR  88          HG23      THR  88   8.703  -1.420   9.477
  618    H    ARG  89           HN       ARG  89   7.518   1.839   5.534
  619    HA   ARG  89           HA       ARG  89   8.259   3.839   7.572
  620    HB2  ARG  89           HB2      ARG  89   7.166   4.447   4.823
  621    HB3  ARG  89           HB1      ARG  89   7.861   5.573   5.971
  622    HG2  ARG  89           HG2      ARG  89   9.553   3.376   4.910
  623    HG3  ARG  89           HG1      ARG  89   9.214   4.780   3.900
  624    HD2  ARG  89           HD2      ARG  89   9.951   6.160   5.928
  625    HD3  ARG  89           HD1      ARG  89  10.653   4.654   6.522
  626    HE   ARG  89           HE       ARG  89  11.419   5.353   3.833
  627   HH11  ARG  89          HH11      ARG  89  12.213   5.539   7.232
  628   HH12  ARG  89          HH12      ARG  89  13.841   6.096   6.953
  629   HH21  ARG  89          HH21      ARG  89  13.556   6.072   3.449
  630   HH22  ARG  89          HH22      ARG  89  14.607   6.385   4.803
  631    HA   PRO  90           HA       PRO  90   3.779   2.536   7.629
  632    HB2  PRO  90           HB2      PRO  90   4.086   1.947  10.440
  633    HB3  PRO  90           HB1      PRO  90   3.611   0.866   9.147
  634    HG2  PRO  90           HG2      PRO  90   5.994   0.678  10.454
  635    HG3  PRO  90           HG1      PRO  90   5.732   0.146   8.789
  636    HD2  PRO  90           HD2      PRO  90   7.049   2.613   9.787
  637    HD3  PRO  90           HD1      PRO  90   7.433   1.615   8.391
  638    H    SER  91           HN       SER  91   5.644   4.375   9.961
  639    HA   SER  91           HA       SER  91   3.556   5.956  11.002
  640    HB2  SER  91           HB2      SER  91   5.974   5.713  11.837
  641    HB3  SER  91           HB1      SER  91   6.404   6.870  10.575
  642    HG   SER  91           HG       SER  91   4.524   8.107  11.706
  643    H    GLU  92           HN       GLU  92   5.483   6.105   8.106
  644    HA   GLU  92           HA       GLU  92   4.738   8.815   7.484
  645    HB2  GLU  92           HB2      GLU  92   6.693   6.864   6.563
  646    HB3  GLU  92           HB1      GLU  92   5.998   7.815   5.252
  647    HG2  GLU  92           HG2      GLU  92   7.296   8.922   7.732
  648    HG3  GLU  92           HG1      GLU  92   8.051   8.805   6.143
  649    H    LEU  93           HN       LEU  93   3.992   5.569   6.200
  650    HA   LEU  93           HA       LEU  93   2.310   6.443   4.120
  651    HB2  LEU  93           HB2      LEU  93   2.505   3.913   5.685
  652    HB3  LEU  93           HB1      LEU  93   1.093   4.169   4.689
  653    HG   LEU  93           HG       LEU  93   2.523   2.881   3.366
  654   HD11  LEU  93          HD11      LEU  93   1.605   4.742   2.135
  655   HD12  LEU  93          HD12      LEU  93   3.215   4.345   1.533
  656   HD13  LEU  93          HD13      LEU  93   2.985   5.749   2.576
  657   HD21  LEU  93          HD21      LEU  93   4.789   4.727   4.104
  658   HD22  LEU  93          HD22      LEU  93   4.885   3.372   2.978
  659   HD23  LEU  93          HD23      LEU  93   4.551   3.078   4.684
  660    H    GLN  94           HN       GLN  94   1.514   5.578   7.485
  661    HA   GLN  94           HA       GLN  94  -1.292   6.030   7.100
  662    HB2  GLN  94           HB2      GLN  94   0.302   4.843   9.077
  663    HB3  GLN  94           HB1      GLN  94  -0.443   6.225   9.867
  664    HG2  GLN  94           HG2      GLN  94  -1.942   4.107   8.339
  665    HG3  GLN  94           HG1      GLN  94  -1.736   4.126  10.088
  666   HE21  GLN  94          HE21      GLN  94  -4.123   4.306   8.309
  667   HE22  GLN  94          HE22      GLN  94  -4.974   5.699   8.850
  668    H    ALA  95           HN       ALA  95   1.405   7.981   7.714
  669    HA   ALA  95           HA       ALA  95   0.187  10.219   8.915
  670    HB1  ALA  95           HB1      ALA  95   2.477  10.305   6.998
  671    HB2  ALA  95           HB2      ALA  95   2.646   9.759   8.669
  672    HB3  ALA  95           HB3      ALA  95   2.116  11.411   8.324
  673    H    VAL  96           HN       VAL  96   0.757   9.374   5.496
  674    HA   VAL  96           HA       VAL  96  -0.484  11.790   4.615
  675    HB   VAL  96           HB       VAL  96   0.573  11.383   2.698
  676   HG11  VAL  96          HG11      VAL  96   2.129  10.034   4.032
  677   HG12  VAL  96          HG12      VAL  96   2.009   9.482   2.355
  678   HG13  VAL  96          HG13      VAL  96   1.183   8.596   3.644
  679   HG21  VAL  96          HG21      VAL  96  -1.041   8.850   2.494
  680   HG22  VAL  96          HG22      VAL  96  -0.156   9.617   1.174
  681   HG23  VAL  96          HG23      VAL  96  -1.534  10.448   1.915
  682    H    ILE  97           HN       ILE  97  -1.422   8.532   5.335
  683    HA   ILE  97           HA       ILE  97  -3.987   8.596   4.221
  684    HB   ILE  97           HB       ILE  97  -2.854   7.268   6.655
  685   HG12  ILE  97          HG12      ILE  97  -4.158   5.873   4.369
  686   HG13  ILE  97          HG11      ILE  97  -2.579   6.607   4.104
  687   HG21  ILE  97          HG21      ILE  97  -4.930   6.158   7.054
  688   HG22  ILE  97          HG22      ILE  97  -5.677   6.962   5.671
  689   HG23  ILE  97          HG23      ILE  97  -5.212   7.903   7.091
  690   HD11  ILE  97          HD11      ILE  97  -3.164   4.659   6.311
  691   HD12  ILE  97          HD12      ILE  97  -1.585   5.252   5.779
  692   HD13  ILE  97          HD13      ILE  97  -2.537   4.203   4.728
  693    H    ASP  98           HN       ASP  98  -2.985   9.274   7.535
  694    HA   ASP  98           HA       ASP  98  -5.228  10.594   8.443
  695    HB2  ASP  98           HB2      ASP  98  -3.461   9.972   9.944
  696    HB3  ASP  98           HB1      ASP  98  -2.299  10.989   9.099
  697    H    SER  99           HN       SER  99  -2.527  11.917   6.565
  698    HA   SER  99           HA       SER  99  -3.468  14.630   6.811
  699    HB2  SER  99           HB2      SER  99  -1.107  14.220   6.685
  700    HB3  SER  99           HB1      SER  99  -1.276  13.428   5.116
  701    HG   SER  99           HG       SER  99  -0.698  15.475   4.625
  702    H    ASP 100           HN       ASP 100  -2.980  12.492   3.956
  703    HA   ASP 100           HA       ASP 100  -4.317  14.265   2.206
  704    HB2  ASP 100           HB2      ASP 100  -2.929  11.800   2.006
  705    HB3  ASP 100           HB1      ASP 100  -4.332  11.779   1.024
  706    H    LYS 101           HN       LYS 101  -5.570  12.050   4.448
  707    HA   LYS 101           HA       LYS 101  -7.958  11.275   3.280
  708    HB2  LYS 101           HB2      LYS 101  -6.948  11.688   5.968
  709    HB3  LYS 101           HB1      LYS 101  -8.663  12.082   5.856
  710    HG2  LYS 101           HG2      LYS 101  -9.257   9.928   5.569
  711    HG3  LYS 101           HG1      LYS 101  -7.822   9.544   4.627
  712    HD2  LYS 101           HD2      LYS 101  -7.963   8.418   6.882
  713    HD3  LYS 101           HD1      LYS 101  -6.502   9.339   6.577
  714    HE2  LYS 101           HE2      LYS 101  -7.070  10.995   8.042
  715    HE3  LYS 101           HE1      LYS 101  -8.794  10.649   7.945
  716    HZ1  LYS 101           HZ1      LYS 101  -8.493   8.705   9.273
  717    HZ2  LYS 101           HZ2      LYS 101  -7.750  10.004  10.077
  718    HZ3  LYS 101           HZ3      LYS 101  -6.805   8.868   9.250
  719    H    SER 102           HN       SER 102  -6.910  14.461   4.235
  720    HA   SER 102           HA       SER 102  -9.442  15.742   4.094
  721    HB2  SER 102           HB2      SER 102  -7.384  16.744   5.121
  722    HB3  SER 102           HB1      SER 102  -6.725  16.942   3.497
  723    HG   SER 102           HG       SER 102  -9.253  17.992   4.209
  724    H    ASN 103           HN       ASN 103  -7.060  14.747   1.781
  725    HA   ASN 103           HA       ASN 103  -8.232  16.065  -0.496
  726    HB2  ASN 103           HB2      ASN 103  -5.761  15.302  -0.128
  727    HB3  ASN 103           HB1      ASN 103  -6.357  13.726  -0.630
  728   HD21  ASN 103          HD21      ASN 103  -4.397  15.290  -1.931
  729   HD22  ASN 103          HD22      ASN 103  -4.995  15.684  -3.508
  730    H    TYR 104           HN       TYR 104  -8.183  12.850   0.933
  731    HA   TYR 104           HA       TYR 104 -10.591  12.165  -0.584
  732    HB2  TYR 104           HB2      TYR 104  -8.899   9.838  -0.301
  733    HB3  TYR 104           HB1      TYR 104  -9.660  10.478  -1.748
  734    HD1  TYR 104           HD2      TYR 104  -6.732  11.068   0.463
  735    HD2  TYR 104           HD1      TYR 104  -8.291  11.228  -3.500
  736    HE1  TYR 104           HE2      TYR 104  -4.519  11.710  -0.358
  737    HE2  TYR 104           HE1      TYR 104  -6.082  11.868  -4.352
  738    HH   TYR 104           HH       TYR 104  -4.033  12.811  -3.612
  739    H    CYS 105           HN       CYS 105 -12.001  11.726   0.965
  740    HA   CYS 105           HA       CYS 105 -11.583   9.413   2.534
  741    HB2  CYS 105           HB2      CYS 105 -10.592  10.665   4.195
  742    HB3  CYS 105           HB1      CYS 105 -11.540  12.102   3.831
  743    HG   CYS 105           HG       CYS 105 -13.452   9.620   4.963
  744    H    THR 106           HN       THR 106 -13.415   8.337   2.394
  745    HA   THR 106           HA       THR 106 -15.926   9.821   2.180
  746    HB   THR 106           HB       THR 106 -16.899   7.564   1.622
  747    HG1  THR 106           HG1      THR 106 -14.206   6.775   1.165
  748   HG21  THR 106          HG21      THR 106 -16.369   9.203  -0.089
  749   HG22  THR 106          HG22      THR 106 -16.025   7.571  -0.661
  750   HG23  THR 106          HG23      THR 106 -14.704   8.623  -0.148
  751    H    ASP 107           HN       ASP 107 -17.818   8.846   3.360
  752    HA   ASP 107           HA       ASP 107 -17.331   8.835   6.126
  753    HB2  ASP 107           HB2      ASP 107 -19.742   7.690   4.698
  754    HB3  ASP 107           HB1      ASP 107 -19.665   8.204   6.381
  755    H    LYS 108           HN       LYS 108 -18.361   6.161   4.025
  756    HA   LYS 108           HA       LYS 108 -16.672   4.338   5.555
  757    HB2  LYS 108           HB2      LYS 108 -19.083   4.337   6.405
  758    HB3  LYS 108           HB1      LYS 108 -19.500   3.607   4.870
  759    HG2  LYS 108           HG2      LYS 108 -17.530   2.411   6.806
  760    HG3  LYS 108           HG1      LYS 108 -19.246   2.009   6.771
  761    HD2  LYS 108           HD2      LYS 108 -18.912   1.370   4.348
  762    HD3  LYS 108           HD1      LYS 108 -17.179   1.519   4.639
  763    HE2  LYS 108           HE2      LYS 108 -17.849  -0.789   4.844
  764    HE3  LYS 108           HE1      LYS 108 -17.367  -0.169   6.427
  765    HZ1  LYS 108           HZ1      LYS 108 -20.157  -0.485   5.452
  766    HZ2  LYS 108           HZ2      LYS 108 -19.713   0.125   6.974
  767    HZ3  LYS 108           HZ3      LYS 108 -19.377  -1.488   6.577
  768    H    SER 109           HN       SER 109 -19.035   4.465   2.880
  769    HA   SER 109           HA       SER 109 -18.994   3.657   0.762
  770    HB2  SER 109           HB2      SER 109 -17.413   5.518   0.602
  771    HB3  SER 109           HB1      SER 109 -16.080   4.418   0.946
  772    HG   SER 109           HG       SER 109 -16.039   4.193  -1.141
  773    H    GLU 110           HN       GLU 110 -18.903   1.673   2.571
  774    HA   GLU 110           HA       GLU 110 -18.145  -0.461   3.075
  775    HB2  GLU 110           HB2      GLU 110 -18.904  -0.620   0.164
  776    HB3  GLU 110           HB1      GLU 110 -18.867  -1.964   1.297
  777    HG2  GLU 110           HG2      GLU 110 -20.645   0.452   1.514
  778    HG3  GLU 110           HG1      GLU 110 -21.134  -1.133   0.915
  779    H    GLN 111           HN       GLN 111 -15.758   0.573   3.010
  780    HA   GLN 111           HA       GLN 111 -14.002  -0.321   1.004
  781    HB2  GLN 111           HB2      GLN 111 -12.556  -0.336   3.414
  782    HB3  GLN 111           HB1      GLN 111 -12.596   0.929   2.199
  783    HG2  GLN 111           HG2      GLN 111 -13.128   2.053   4.141
  784    HG3  GLN 111           HG1      GLN 111 -14.707   1.744   3.428
  785   HE21  GLN 111          HE21      GLN 111 -14.621  -1.115   4.247
  786   HE22  GLN 111          HE22      GLN 111 -14.945  -1.102   5.949
  787    H    GLN 112           HN       GLN 112 -12.302  -1.978   1.266
  788    HA   GLN 112           HA       GLN 112 -11.686  -4.162   1.428
  789    HB2  GLN 112           HB2      GLN 112 -11.849  -3.468   3.913
  790    HB3  GLN 112           HB1      GLN 112 -13.354  -4.374   3.928
  791    HG2  GLN 112           HG2      GLN 112 -12.188  -6.400   3.343
  792    HG3  GLN 112           HG1      GLN 112 -10.673  -5.512   3.177
  793   HE21  GLN 112          HE21      GLN 112 -12.998  -6.832   5.376
  794   HE22  GLN 112          HE22      GLN 112 -12.050  -6.639   6.814
  795    HA   PRO 113           HA       PRO 113 -15.916  -4.897  -0.361
  796    HB2  PRO 113           HB2      PRO 113 -14.398  -5.824  -2.704
  797    HB3  PRO 113           HB1      PRO 113 -15.652  -4.584  -2.594
  798    HG2  PRO 113           HG2      PRO 113 -13.077  -3.953  -3.001
  799    HG3  PRO 113           HG1      PRO 113 -14.147  -2.927  -2.028
  800    HD2  PRO 113           HD2      PRO 113 -12.085  -4.907  -1.128
  801    HD3  PRO 113           HD1      PRO 113 -12.443  -3.287  -0.492
  802    H    SER 114           HN       SER 114 -16.769  -6.665   0.509
  803    HA   SER 114           HA       SER 114 -15.540  -9.271   0.132
  804    HB2  SER 114           HB2      SER 114 -18.177  -8.541   1.440
  805    HB3  SER 114           HB1      SER 114 -17.349 -10.095   1.549
  806    HG   SER 114           HG       SER 114 -16.076  -9.311   3.033
  807    H    GLN 115           HN       GLN 115 -17.969  -7.235  -1.221
  808    HA   GLN 115           HA       GLN 115 -19.416  -9.252  -2.607
  809    HB2  GLN 115           HB2      GLN 115 -20.296  -7.311  -3.968
  810    HB3  GLN 115           HB1      GLN 115 -20.583  -7.244  -2.239
  811    HG2  GLN 115           HG2      GLN 115 -19.990  -5.076  -2.793
  812    HG3  GLN 115           HG1      GLN 115 -18.508  -5.756  -2.134
  813   HE21  GLN 115          HE21      GLN 115 -17.322  -4.140  -3.197
  814   HE22  GLN 115          HE22      GLN 115 -17.011  -4.223  -4.902
  815    H    ALA 116           HN       ALA 116 -16.351  -7.969  -3.080
  816    HA   ALA 116           HA       ALA 116 -16.242  -8.485  -5.929
  817    HB1  ALA 116           HB1      ALA 116 -14.832  -6.726  -4.999
  818    HB2  ALA 116           HB2      ALA 116 -13.838  -8.007  -5.693
  819    HB3  ALA 116           HB3      ALA 116 -14.040  -7.896  -3.944
  820    H    THR 117           HN       THR 117 -17.214 -10.667  -5.368
  821    HA   THR 117           HA       THR 117 -15.356 -12.589  -4.220
  822    HB   THR 117           HB       THR 117 -18.162 -13.066  -5.236
  823    HG1  THR 117           HG1      THR 117 -17.204 -11.865  -2.912
  824   HG21  THR 117          HG21      THR 117 -16.458 -14.590  -3.259
  825   HG22  THR 117          HG22      THR 117 -16.790 -15.087  -4.917
  826   HG23  THR 117          HG23      THR 117 -18.105 -15.001  -3.746
  827    HA   PRO 118           HA       PRO 118 -14.263 -13.935  -8.370
  828    HB2  PRO 118           HB2      PRO 118 -12.188 -15.473  -7.640
  829    HB3  PRO 118           HB1      PRO 118 -12.072 -13.710  -7.647
  830    HG2  PRO 118           HG2      PRO 118 -12.462 -15.578  -5.353
  831    HG3  PRO 118           HG1      PRO 118 -11.487 -14.100  -5.444
  832    HD2  PRO 118           HD2      PRO 118 -14.008 -14.268  -4.317
  833    HD3  PRO 118           HD1      PRO 118 -13.256 -12.773  -4.901
  834    HA   PRO 119           HA       PRO 119 -16.392 -17.850  -8.369
  835    HB2  PRO 119           HB2      PRO 119 -15.005 -18.488 -10.870
  836    HB3  PRO 119           HB1      PRO 119 -16.723 -18.201 -10.589
  837    HG2  PRO 119           HG2      PRO 119 -15.167 -16.457 -11.941
  838    HG3  PRO 119           HG1      PRO 119 -16.541 -15.939 -10.947
  839    HD2  PRO 119           HD2      PRO 119 -13.613 -15.882 -10.311
  840    HD3  PRO 119           HD1      PRO 119 -14.868 -14.674  -9.958
  841    HA   PRO 120           HA       PRO 120 -13.619 -20.623  -6.342
  842    HB2  PRO 120           HB2      PRO 120 -15.164 -22.706  -7.837
  843    HB3  PRO 120           HB1      PRO 120 -14.738 -22.638  -6.123
  844    HG2  PRO 120           HG2      PRO 120 -17.196 -22.014  -6.928
  845    HG3  PRO 120           HG1      PRO 120 -16.403 -21.105  -5.628
  846    HD2  PRO 120           HD2      PRO 120 -16.922 -20.312  -8.448
  847    HD3  PRO 120           HD1      PRO 120 -16.827 -19.306  -6.988
  848    H    GLU 121           HN       GLU 121 -14.441 -22.060  -9.501
  849    HA   GLU 121           HA       GLU 121 -11.618 -22.532 -10.018
  850    HB2  GLU 121           HB2      GLU 121 -14.104 -23.244 -11.581
  851    HB3  GLU 121           HB1      GLU 121 -12.470 -23.630 -12.104
  852    HG2  GLU 121           HG2      GLU 121 -13.833 -24.614  -9.612
  853    HG3  GLU 121           HG1      GLU 121 -13.485 -25.550 -11.066
  854    H    ILE 122           HN       ILE 122 -10.747 -20.555 -10.347
  855    HA   ILE 122           HA       ILE 122 -11.881 -18.464 -11.816
  856    HB   ILE 122           HB       ILE 122  -9.648 -17.468 -11.926
  857   HG12  ILE 122          HG12      ILE 122  -8.440 -19.686 -12.278
  858   HG13  ILE 122          HG11      ILE 122  -7.661 -18.536 -11.199
  859   HG21  ILE 122          HG21      ILE 122  -9.244 -17.306  -9.509
  860   HG22  ILE 122          HG22      ILE 122 -10.316 -18.684  -9.253
  861   HG23  ILE 122          HG23      ILE 122 -10.954 -17.181  -9.921
  862   HD11  ILE 122          HD11      ILE 122  -8.459 -19.789  -9.275
  863   HD12  ILE 122          HD12      ILE 122  -7.525 -20.821 -10.360
  864   HD13  ILE 122          HD13      ILE 122  -9.286 -20.924 -10.343
  865    HA   PRO 123           HA       PRO 123 -11.419 -19.844 -15.990
  866    HB2  PRO 123           HB2      PRO 123 -11.529 -17.001 -16.719
  867    HB3  PRO 123           HB1      PRO 123 -12.656 -18.302 -17.113
  868    HG2  PRO 123           HG2      PRO 123 -13.296 -16.361 -15.367
  869    HG3  PRO 123           HG1      PRO 123 -13.864 -18.029 -15.166
  870    HD2  PRO 123           HD2      PRO 123 -11.613 -16.615 -13.784
  871    HD3  PRO 123           HD1      PRO 123 -12.835 -17.717 -13.112
  Start of MODEL   10
    1    H1   ALA   1           HT1      ALA   1  -2.742  12.674  -6.088
    2    H2   ALA   1           HT2      ALA   1  -2.488  12.303  -7.724
    3    H3   ALA   1           HT3      ALA   1  -1.283  11.974  -6.581
    4    HA   ALA   1           HA       ALA   1  -2.583   9.989  -7.335
    5    HB1  ALA   1           HB1      ALA   1  -2.775  10.602  -4.391
    6    HB2  ALA   1           HB2      ALA   1  -1.290  10.118  -5.212
    7    HB3  ALA   1           HB3      ALA   1  -2.667   9.013  -5.159
    8    HA   PRO   2           HA       PRO   2  -6.935  10.572  -7.600
    9    HB2  PRO   2           HB2      PRO   2  -7.040   7.667  -7.876
   10    HB3  PRO   2           HB1      PRO   2  -7.482   8.920  -9.025
   11    HG2  PRO   2           HG2      PRO   2  -5.299   7.442  -9.425
   12    HG3  PRO   2           HG1      PRO   2  -5.283   9.185  -9.777
   13    HD2  PRO   2           HD2      PRO   2  -4.308   7.775  -7.314
   14    HD3  PRO   2           HD1      PRO   2  -3.458   8.970  -8.321
   15    H    THR   3           HN       THR   3  -5.667   7.947  -5.600
   16    HA   THR   3           HA       THR   3  -7.967   8.329  -3.816
   17    HB   THR   3           HB       THR   3  -7.951   5.937  -3.317
   18    HG1  THR   3           HG1      THR   3  -6.713   4.632  -4.959
   19   HG21  THR   3          HG21      THR   3  -8.209   6.587  -6.260
   20   HG22  THR   3          HG22      THR   3  -9.464   6.758  -5.030
   21   HG23  THR   3          HG23      THR   3  -8.877   5.154  -5.470
   22    H    LEU   4           HN       LEU   4  -7.538   7.493  -1.571
   23    HA   LEU   4           HA       LEU   4  -5.277   8.842  -0.598
   24    HB2  LEU   4           HB2      LEU   4  -7.255   8.685   0.755
   25    HB3  LEU   4           HB1      LEU   4  -7.159   6.928   0.775
   26    HG   LEU   4           HG       LEU   4  -4.991   7.164   2.038
   27   HD11  LEU   4          HD11      LEU   4  -4.393   9.400   1.421
   28   HD12  LEU   4          HD12      LEU   4  -4.667   9.357   3.173
   29   HD13  LEU   4          HD13      LEU   4  -5.899  10.030   2.102
   30   HD21  LEU   4          HD21      LEU   4  -7.108   6.625   3.145
   31   HD22  LEU   4          HD22      LEU   4  -7.447   8.347   3.330
   32   HD23  LEU   4          HD23      LEU   4  -6.072   7.621   4.165
   33    H    GLN   5           HN       GLN   5  -5.730   5.547  -1.549
   34    HA   GLN   5           HA       GLN   5  -3.366   4.599  -0.213
   35    HB2  GLN   5           HB2      GLN   5  -5.443   3.235  -0.739
   36    HB3  GLN   5           HB1      GLN   5  -4.876   3.205  -2.408
   37    HG2  GLN   5           HG2      GLN   5  -2.784   2.432  -0.586
   38    HG3  GLN   5           HG1      GLN   5  -4.219   1.438  -0.359
   39   HE21  GLN   5          HE21      GLN   5  -1.627   2.290  -2.485
   40   HE22  GLN   5          HE22      GLN   5  -1.896   1.046  -3.644
   41    H    GLU   6           HN       GLU   6  -4.175   5.852  -3.404
   42    HA   GLU   6           HA       GLU   6  -1.673   5.159  -4.599
   43    HB2  GLU   6           HB2      GLU   6  -3.648   5.846  -5.952
   44    HB3  GLU   6           HB1      GLU   6  -3.459   7.483  -5.327
   45    HG2  GLU   6           HG2      GLU   6  -2.417   7.531  -7.401
   46    HG3  GLU   6           HG1      GLU   6  -1.109   7.405  -6.244
   47    H    ALA   7           HN       ALA   7  -2.853   7.739  -2.598
   48    HA   ALA   7           HA       ALA   7  -0.624   9.489  -2.827
   49    HB1  ALA   7           HB1      ALA   7  -1.417  10.417  -0.676
   50    HB2  ALA   7           HB2      ALA   7  -2.545   9.067  -0.514
   51    HB3  ALA   7           HB3      ALA   7  -2.732  10.223  -1.836
   52    H    LEU   8           HN       LEU   8  -1.290   6.580  -1.071
   53    HA   LEU   8           HA       LEU   8   1.032   6.613   0.554
   54    HB2  LEU   8           HB2      LEU   8  -0.728   4.391  -0.364
   55    HB3  LEU   8           HB1      LEU   8   0.611   4.164   0.737
   56    HG   LEU   8           HG       LEU   8  -1.972   5.591   1.195
   57   HD11  LEU   8          HD11      LEU   8  -0.448   3.518   2.757
   58   HD12  LEU   8          HD12      LEU   8  -1.762   3.174   1.630
   59   HD13  LEU   8          HD13      LEU   8  -2.078   4.108   3.092
   60   HD21  LEU   8          HD21      LEU   8  -0.959   6.209   3.426
   61   HD22  LEU   8          HD22      LEU   8  -0.448   7.165   2.032
   62   HD23  LEU   8          HD23      LEU   8   0.611   5.910   2.677
   63    H    ASP   9           HN       ASP   9   0.191   4.975  -2.473
   64    HA   ASP   9           HA       ASP   9   2.627   3.749  -3.046
   65    HB2  ASP   9           HB2      ASP   9   0.502   4.928  -4.883
   66    HB3  ASP   9           HB1      ASP   9   1.885   4.009  -5.476
   67    H    ARG  10           HN       ARG  10   1.627   7.021  -3.235
   68    HA   ARG  10           HA       ARG  10   3.763   7.948  -4.940
   69    HB2  ARG  10           HB2      ARG  10   1.295   8.814  -4.471
   70    HB3  ARG  10           HB1      ARG  10   2.092   9.725  -3.209
   71    HG2  ARG  10           HG2      ARG  10   2.923  11.184  -4.638
   72    HG3  ARG  10           HG1      ARG  10   3.399   9.933  -5.799
   73    HD2  ARG  10           HD2      ARG  10   0.992   9.708  -6.384
   74    HD3  ARG  10           HD1      ARG  10   0.672  11.111  -5.370
   75    HE   ARG  10           HE       ARG  10   2.124  12.391  -6.897
   76   HH11  ARG  10          HH11      ARG  10   0.872   9.316  -8.002
   77   HH12  ARG  10          HH12      ARG  10   0.861   9.772  -9.682
   78   HH21  ARG  10          HH21      ARG  10   2.147  12.997  -9.097
   79   HH22  ARG  10          HH22      ARG  10   1.585  11.877 -10.306
   80    H    LYS  11           HN       LYS  11   2.965   7.911  -1.504
   81    HA   LYS  11           HA       LYS  11   5.257   9.289  -0.591
   82    HB2  LYS  11           HB2      LYS  11   3.132   8.722   0.706
   83    HB3  LYS  11           HB1      LYS  11   3.855   7.132   0.927
   84    HG2  LYS  11           HG2      LYS  11   4.251   8.744   2.799
   85    HG3  LYS  11           HG1      LYS  11   5.705   8.035   2.099
   86    HD2  LYS  11           HD2      LYS  11   6.038  10.397   2.436
   87    HD3  LYS  11           HD1      LYS  11   6.000  10.031   0.711
   88    HE2  LYS  11           HE2      LYS  11   3.671  10.719   0.610
   89    HE3  LYS  11           HE1      LYS  11   3.709  11.075   2.326
   90    HZ1  LYS  11           HZ1      LYS  11   3.952  13.079   1.005
   91    HZ2  LYS  11           HZ2      LYS  11   5.324  12.446   0.248
   92    HZ3  LYS  11           HZ3      LYS  11   5.355  12.793   1.910
   93    H    CYS  12           HN       CYS  12   4.404   5.990  -1.263
   94    HA   CYS  12           HA       CYS  12   6.726   4.654  -0.526
   95    HB2  CYS  12           HB2      CYS  12   4.620   4.091  -2.595
   96    HB3  CYS  12           HB1      CYS  12   5.903   2.960  -2.230
   97    HG   CYS  12           HG       CYS  12   3.222   3.809  -0.383
   98    H    ALA  13           HN       ALA  13   5.921   6.381  -3.476
   99    HA   ALA  13           HA       ALA  13   8.229   5.489  -4.906
  100    HB1  ALA  13           HB1      ALA  13   7.614   7.415  -6.441
  101    HB2  ALA  13           HB2      ALA  13   6.209   7.678  -5.379
  102    HB3  ALA  13           HB3      ALA  13   6.416   6.144  -6.233
  103    H    GLN  14           HN       GLN  14   7.556   7.894  -2.576
  104    HA   GLN  14           HA       GLN  14   9.754   9.627  -3.185
  105    HB2  GLN  14           HB2      GLN  14   7.925   9.397  -0.824
  106    HB3  GLN  14           HB1      GLN  14   9.205  10.603  -0.939
  107    HG2  GLN  14           HG2      GLN  14   8.173  11.391  -3.052
  108    HG3  GLN  14           HG1      GLN  14   6.834  10.292  -2.749
  109   HE21  GLN  14          HE21      GLN  14   8.565  12.066  -0.287
  110   HE22  GLN  14          HE22      GLN  14   7.264  13.123   0.156
  111    H    PHE  15           HN       PHE  15   9.233   6.830  -1.228
  112    HA   PHE  15           HA       PHE  15  11.837   7.132   0.080
  113    HB2  PHE  15           HB2      PHE  15   9.746   4.996   0.530
  114    HB3  PHE  15           HB1      PHE  15  11.168   5.297   1.518
  115    HD1  PHE  15           HD2      PHE  15  11.158   8.133   1.913
  116    HD2  PHE  15           HD1      PHE  15   7.882   5.433   1.802
  117    HE1  PHE  15           HE2      PHE  15   9.873   9.648   3.344
  118    HE2  PHE  15           HE1      PHE  15   6.575   6.955   3.223
  119    HZ   PHE  15           HZ       PHE  15   7.514   9.028   3.974
  120    H    GLY  16           HN       GLY  16   9.994   4.632  -1.663
  121    HA2  GLY  16           HA2      GLY  16  11.986   2.728  -1.945
  122    HA3  GLY  16           HA1      GLY  16  10.654   2.960  -3.059
  123    H    LYS  17           HN       LYS  17  11.028   5.149  -4.345
  124    HA   LYS  17           HA       LYS  17  13.193   4.441  -6.074
  125    HB2  LYS  17           HB2      LYS  17  11.444   6.879  -6.253
  126    HB3  LYS  17           HB1      LYS  17  12.258   6.016  -7.558
  127    HG2  LYS  17           HG2      LYS  17  10.167   4.691  -5.896
  128    HG3  LYS  17           HG1      LYS  17   9.757   5.670  -7.267
  129    HD2  LYS  17           HD2      LYS  17  11.720   3.440  -7.492
  130    HD3  LYS  17           HD1      LYS  17   9.975   3.159  -7.616
  131    HE2  LYS  17           HE2      LYS  17  11.062   5.421  -9.107
  132    HE3  LYS  17           HE1      LYS  17  11.497   3.821  -9.716
  133    HZ1  LYS  17           HZ1      LYS  17   9.036   3.342  -9.633
  134    HZ2  LYS  17           HZ2      LYS  17   9.528   4.454 -10.815
  135    HZ3  LYS  17           HZ3      LYS  17   8.798   5.005  -9.385
  136    H    GLU  18           HN       GLU  18  12.752   6.661  -3.463
  137    HA   GLU  18           HA       GLU  18  14.992   8.309  -4.013
  138    HB2  GLU  18           HB2      GLU  18  13.519   9.046  -2.323
  139    HB3  GLU  18           HB1      GLU  18  13.625   7.533  -1.436
  140    HG2  GLU  18           HG2      GLU  18  15.945   8.033  -0.867
  141    HG3  GLU  18           HG1      GLU  18  15.862   9.526  -1.797
  142    H    SER  19           HN       SER  19  14.602   5.245  -2.279
  143    HA   SER  19           HA       SER  19  17.269   4.671  -1.717
  144    HB2  SER  19           HB2      SER  19  15.137   2.764  -2.666
  145    HB3  SER  19           HB1      SER  19  16.625   2.323  -1.816
  146    HG   SER  19           HG       SER  19  14.618   4.039  -0.748
  147    H    CYS  20           HN       CYS  20  15.425   4.382  -4.662
  148    HA   CYS  20           HA       CYS  20  17.557   3.123  -6.037
  149    HB2  CYS  20           HB2      CYS  20  14.796   3.558  -6.433
  150    HB3  CYS  20           HB1      CYS  20  15.681   3.955  -7.897
  151    HG   CYS  20           HG       CYS  20  17.190   1.598  -7.904
  152    H    ASN  21           HN       ASN  21  16.459   6.369  -5.663
  153    HA   ASN  21           HA       ASN  21  18.215   7.474  -7.639
  154    HB2  ASN  21           HB2      ASN  21  16.532   8.575  -5.444
  155    HB3  ASN  21           HB1      ASN  21  17.854   9.569  -6.053
  156   HD21  ASN  21          HD21      ASN  21  14.820   8.052  -6.830
  157   HD22  ASN  21          HD22      ASN  21  14.528   8.933  -8.295
  158    H    SER  22           HN       SER  22  18.660   6.177  -4.536
  159    HA   SER  22           HA       SER  22  21.103   7.656  -4.013
  160    HB2  SER  22           HB2      SER  22  19.763   5.458  -2.429
  161    HB3  SER  22           HB1      SER  22  21.150   6.411  -1.902
  162    HG   SER  22           HG       SER  22  18.507   7.318  -2.409
  163    H    GLY  23           HN       GLY  23  20.102   4.497  -5.172
  164    HA2  GLY  23           HA2      GLY  23  22.197   3.761  -6.606
  165    HA3  GLY  23           HA1      GLY  23  22.847   3.505  -4.997
  166    H    LEU  24           HN       LEU  24  19.549   2.890  -4.978
  167    HA   LEU  24           HA       LEU  24  19.983   0.051  -4.951
  168    HB2  LEU  24           HB2      LEU  24  17.813   1.905  -4.255
  169    HB3  LEU  24           HB1      LEU  24  17.264   0.380  -4.924
  170    HG   LEU  24           HG       LEU  24  17.570   0.638  -2.342
  171   HD11  LEU  24          HD11      LEU  24  18.137  -1.742  -2.174
  172   HD12  LEU  24          HD12      LEU  24  18.625  -1.736  -3.869
  173   HD13  LEU  24          HD13      LEU  24  16.944  -1.431  -3.432
  174   HD21  LEU  24          HD21      LEU  24  19.797  -0.052  -1.588
  175   HD22  LEU  24          HD22      LEU  24  19.841   1.496  -2.433
  176   HD23  LEU  24          HD23      LEU  24  20.371   0.026  -3.258
  177    H    ALA  25           HN       ALA  25  19.500  -1.394  -6.465
  178    HA   ALA  25           HA       ALA  25  18.757  -0.425  -9.108
  179    HB1  ALA  25           HB1      ALA  25  20.579  -2.053  -8.821
  180    HB2  ALA  25           HB2      ALA  25  19.312  -2.610  -9.911
  181    HB3  ALA  25           HB3      ALA  25  19.398  -3.238  -8.265
  182    H    SER  26           HN       SER  26  17.219  -2.075  -6.483
  183    HA   SER  26           HA       SER  26  15.334  -3.559  -7.918
  184    HB2  SER  26           HB2      SER  26  14.062  -3.539  -5.761
  185    HB3  SER  26           HB1      SER  26  15.725  -4.114  -5.664
  186    HG   SER  26           HG       SER  26  15.362  -2.676  -3.984
  187    H    TYR  27           HN       TYR  27  14.921  -0.408  -6.328
  188    HA   TYR  27           HA       TYR  27  12.239  -0.054  -7.191
  189    HB2  TYR  27           HB2      TYR  27  14.136   2.168  -6.263
  190    HB3  TYR  27           HB1      TYR  27  12.362   2.083  -6.123
  191    HD1  TYR  27           HD2      TYR  27  11.376   0.183  -4.692
  192    HD2  TYR  27           HD1      TYR  27  15.461   1.425  -4.433
  193    HE1  TYR  27           HE2      TYR  27  11.563  -0.914  -2.506
  194    HE2  TYR  27           HE1      TYR  27  15.648   0.301  -2.263
  195    HH   TYR  27           HH       TYR  27  14.237  -0.425  -0.425
  196    H    CYS  28           HN       CYS  28  15.082   0.102  -8.988
  197    HA   CYS  28           HA       CYS  28  14.742   2.560 -10.336
  198    HB2  CYS  28           HB2      CYS  28  16.906   1.445 -10.254
  199    HB3  CYS  28           HB1      CYS  28  16.269   0.077 -11.158
  200    HG   CYS  28           HG       CYS  28  17.730   2.741 -12.302
  201    H    GLY  29           HN       GLY  29  13.013   3.009 -11.543
  202    HA2  GLY  29           HA2      GLY  29  11.432   2.839 -13.209
  203    HA3  GLY  29           HA1      GLY  29  12.302   1.435 -13.816
  204    H    ALA  30           HN       ALA  30  11.530   1.176 -10.547
  205    HA   ALA  30           HA       ALA  30   9.582  -0.892 -11.171
  206    HB1  ALA  30           HB1      ALA  30  11.359  -1.540  -9.700
  207    HB2  ALA  30           HB2      ALA  30   9.848  -1.512  -8.786
  208    HB3  ALA  30           HB3      ALA  30  11.010  -0.193  -8.614
  209    H    ALA  31           HN       ALA  31   7.541  -0.931 -10.442
  210    HA   ALA  31           HA       ALA  31   6.279   1.547  -9.684
  211    HB1  ALA  31           HB1      ALA  31   5.194  -1.230 -10.129
  212    HB2  ALA  31           HB2      ALA  31   5.208   0.102 -11.298
  213    HB3  ALA  31           HB3      ALA  31   4.221   0.218  -9.842
  214    H    ILE  32           HN       ILE  32   6.495   2.106  -7.511
  215    HA   ILE  32           HA       ILE  32   6.484  -0.145  -5.637
  216    HB   ILE  32           HB       ILE  32   8.448   1.341  -5.460
  217   HG12  ILE  32          HG12      ILE  32   6.842   1.764  -2.971
  218   HG13  ILE  32          HG11      ILE  32   7.187   0.122  -3.489
  219   HG21  ILE  32          HG21      ILE  32   6.450   3.405  -4.595
  220   HG22  ILE  32          HG22      ILE  32   7.332   3.397  -6.126
  221   HG23  ILE  32          HG23      ILE  32   8.206   3.583  -4.600
  222   HD11  ILE  32          HD11      ILE  32   8.781   0.937  -1.835
  223   HD12  ILE  32          HD12      ILE  32   9.249   2.239  -2.930
  224   HD13  ILE  32          HD13      ILE  32   9.560   0.554  -3.374
  225    H    TYR  33           HN       TYR  33   4.967  -0.438  -4.191
  226    HA   TYR  33           HA       TYR  33   2.723   1.476  -4.182
  227    HB2  TYR  33           HB2      TYR  33   2.549  -1.538  -4.024
  228    HB3  TYR  33           HB1      TYR  33   1.204  -0.412  -4.076
  229    HD1  TYR  33           HD1      TYR  33   0.644   0.760  -6.162
  230    HD2  TYR  33           HD2      TYR  33   3.707  -2.186  -6.021
  231    HE1  TYR  33           HE1      TYR  33   0.594   0.599  -8.603
  232    HE2  TYR  33           HE2      TYR  33   3.667  -2.351  -8.473
  233    HH   TYR  33           HH       TYR  33   2.009  -0.069 -10.436
  234    H    ALA  34           HN       ALA  34   1.400   1.437  -2.292
  235    HA   ALA  34           HA       ALA  34   2.865   0.766   0.143
  236    HB1  ALA  34           HB1      ALA  34   1.511   2.928  -0.312
  237    HB2  ALA  34           HB2      ALA  34   1.421   2.150   1.274
  238    HB3  ALA  34           HB3      ALA  34   0.113   1.921   0.103
  239    H    ARG  35           HN       ARG  35   2.550  -1.101   1.147
  240    HA   ARG  35           HA       ARG  35  -0.162  -2.194   1.103
  241    HB2  ARG  35           HB2      ARG  35   1.720  -3.313  -0.491
  242    HB3  ARG  35           HB1      ARG  35   2.011  -4.214   0.983
  243    HG2  ARG  35           HG2      ARG  35   0.445  -5.383  -0.455
  244    HG3  ARG  35           HG1      ARG  35  -0.338  -4.882   1.045
  245    HD2  ARG  35           HD2      ARG  35  -1.776  -4.462  -0.884
  246    HD3  ARG  35           HD1      ARG  35  -1.309  -2.953  -0.099
  247    HE   ARG  35           HE       ARG  35   0.559  -3.214  -2.020
  248   HH11  ARG  35          HH11      ARG  35  -2.898  -3.606  -2.257
  249   HH12  ARG  35          HH12      ARG  35  -3.009  -2.821  -3.801
  250   HH21  ARG  35          HH21      ARG  35   0.416  -2.181  -4.063
  251   HH22  ARG  35          HH22      ARG  35  -1.128  -2.024  -4.828
  252    H    TYR  36           HN       TYR  36  -0.810  -2.263   3.098
  253    HA   TYR  36           HA       TYR  36   0.956  -2.434   5.357
  254    HB2  TYR  36           HB2      TYR  36  -1.356  -1.334   5.299
  255    HB3  TYR  36           HB1      TYR  36  -2.027  -2.962   5.310
  256    HD1  TYR  36           HD1      TYR  36   0.215  -0.697   7.249
  257    HD2  TYR  36           HD2      TYR  36  -2.374  -4.062   7.289
  258    HE1  TYR  36           HE1      TYR  36   0.339  -0.756   9.697
  259    HE2  TYR  36           HE2      TYR  36  -2.285  -4.133   9.727
  260    HH   TYR  36           HH       TYR  36  -0.704  -3.405  11.534
  261    H    ASP  37           HN       ASP  37   2.125  -4.346   4.922
  262    HA   ASP  37           HA       ASP  37   0.747  -6.838   5.404
  263    HB2  ASP  37           HB2      ASP  37   1.033  -6.143   2.755
  264    HB3  ASP  37           HB1      ASP  37   2.530  -7.024   3.064
  265    H    LYS  38           HN       LYS  38   2.740  -8.611   4.813
  266    HA   LYS  38           HA       LYS  38   4.618  -8.044   6.916
  267    HB2  LYS  38           HB2      LYS  38   4.644 -10.269   4.879
  268    HB3  LYS  38           HB1      LYS  38   5.543 -10.240   6.385
  269    HG2  LYS  38           HG2      LYS  38   3.535 -10.430   7.656
  270    HG3  LYS  38           HG1      LYS  38   2.545 -10.234   6.218
  271    HD2  LYS  38           HD2      LYS  38   4.354 -12.538   6.905
  272    HD3  LYS  38           HD1      LYS  38   2.595 -12.555   6.772
  273    HE2  LYS  38           HE2      LYS  38   2.777 -12.025   4.388
  274    HE3  LYS  38           HE1      LYS  38   4.531 -12.033   4.532
  275    HZ1  LYS  38           HZ1      LYS  38   4.509 -14.351   5.046
  276    HZ2  LYS  38           HZ2      LYS  38   3.603 -14.121   3.635
  277    HZ3  LYS  38           HZ3      LYS  38   2.813 -14.384   5.110
  278    H    GLY  39           HN       GLY  39   6.847  -7.779   6.726
  279    HA2  GLY  39           HA2      GLY  39   7.811  -6.786   4.154
  280    HA3  GLY  39           HA1      GLY  39   8.662  -6.694   5.693
  281    H    ASN  40           HN       ASN  40  10.460  -7.867   5.652
  282    HA   ASN  40           HA       ASN  40  10.870 -10.111   3.952
  283    HB2  ASN  40           HB2      ASN  40  12.806  -8.908   4.632
  284    HB3  ASN  40           HB1      ASN  40  12.356  -8.995   6.336
  285   HD21  ASN  40          HD21      ASN  40  13.716 -10.698   3.629
  286   HD22  ASN  40          HD22      ASN  40  14.388 -12.020   4.534
  287    H    SER  41           HN       SER  41  11.229 -12.358   4.727
  288    HA   SER  41           HA       SER  41   8.887 -13.338   5.799
  289    HB2  SER  41           HB2      SER  41  10.345 -15.476   6.140
  290    HB3  SER  41           HB1      SER  41  10.077 -14.853   4.511
  291    HG   SER  41           HG       SER  41  12.211 -15.055   4.525
  292    H    SER  42           HN       SER  42  11.970 -12.793   7.445
  293    HA   SER  42           HA       SER  42  11.198 -14.027   9.879
  294    HB2  SER  42           HB2      SER  42  13.338 -11.937   9.432
  295    HB3  SER  42           HB1      SER  42  13.240 -13.071  10.778
  296    HG   SER  42           HG       SER  42  14.666 -13.556   8.859
  297    H    GLN  43           HN       GLN  43  10.241 -11.081   8.511
  298    HA   GLN  43           HA       GLN  43   9.992  -9.748  11.105
  299    HB2  GLN  43           HB2      GLN  43   9.596  -8.689   8.307
  300    HB3  GLN  43           HB1      GLN  43   9.418  -7.738   9.776
  301    HG2  GLN  43           HG2      GLN  43  11.934  -9.039   8.765
  302    HG3  GLN  43           HG1      GLN  43  11.564  -7.316   8.790
  303   HE21  GLN  43          HE21      GLN  43  11.601  -6.207  10.751
  304   HE22  GLN  43          HE22      GLN  43  12.387  -6.857  12.158
  305    H    GLN  44           HN       GLN  44   8.008 -10.905   8.425
  306    HA   GLN  44           HA       GLN  44   5.766 -10.721   7.975
  307    HB2  GLN  44           HB2      GLN  44   4.358 -11.828   9.705
  308    HB3  GLN  44           HB1      GLN  44   5.769 -12.750   9.228
  309    HG2  GLN  44           HG2      GLN  44   6.883 -11.923  11.305
  310    HG3  GLN  44           HG1      GLN  44   5.336 -11.208  11.753
  311   HE21  GLN  44          HE21      GLN  44   3.734 -13.354  10.690
  312   HE22  GLN  44          HE22      GLN  44   3.933 -14.692  11.761
  313    H    THR  45           HN       THR  45   4.115 -10.320  10.743
  314    HA   THR  45           HA       THR  45   2.794  -8.655  11.533
  315    HB   THR  45           HB       THR  45   3.981  -6.890  12.713
  316    HG1  THR  45           HG1      THR  45   5.725  -6.139  11.781
  317   HG21  THR  45          HG21      THR  45   5.405  -8.276  14.095
  318   HG22  THR  45          HG22      THR  45   5.495  -9.494  12.822
  319   HG23  THR  45          HG23      THR  45   3.959  -9.171  13.628
  320    H    LYS  46           HN       LYS  46   1.420  -7.825   9.997
  321    HA   LYS  46           HA       LYS  46   2.260  -6.265   7.823
  322    HB2  LYS  46           HB2      LYS  46  -0.423  -6.092   9.149
  323    HB3  LYS  46           HB1      LYS  46  -0.026  -5.578   7.529
  324    HG2  LYS  46           HG2      LYS  46   0.697  -8.169   7.399
  325    HG3  LYS  46           HG1      LYS  46  -0.638  -8.250   8.553
  326    HD2  LYS  46           HD2      LYS  46  -1.996  -6.894   6.958
  327    HD3  LYS  46           HD1      LYS  46  -0.687  -7.041   5.803
  328    HE2  LYS  46           HE2      LYS  46  -0.900  -9.554   6.073
  329    HE3  LYS  46           HE1      LYS  46  -2.422  -9.221   6.899
  330    HZ1  LYS  46           HZ1      LYS  46  -3.195  -8.072   4.908
  331    HZ2  LYS  46           HZ2      LYS  46  -2.792  -9.677   4.563
  332    HZ3  LYS  46           HZ3      LYS  46  -1.736  -8.428   4.115
  333    H    GLU  47           HN       GLU  47   3.117  -4.407   7.827
  334    HA   GLU  47           HA       GLU  47   2.012  -2.210   9.399
  335    HB2  GLU  47           HB2      GLU  47   4.977  -2.832   9.170
  336    HB3  GLU  47           HB1      GLU  47   4.318  -1.300   9.746
  337    HG2  GLU  47           HG2      GLU  47   3.465  -2.269  11.691
  338    HG3  GLU  47           HG1      GLU  47   3.597  -3.900  11.047
  339    H    TRP  48           HN       TRP  48   2.170  -0.225   8.271
  340    HA   TRP  48           HA       TRP  48   2.060  -0.430   5.499
  341    HB2  TRP  48           HB2      TRP  48   2.475   1.913   7.323
  342    HB3  TRP  48           HB1      TRP  48   2.530   2.093   5.576
  343    HD1  TRP  48           HD1      TRP  48   0.196   2.374   8.327
  344    HE1  TRP  48           HE1      TRP  48  -2.243   2.342   7.464
  345    HE3  TRP  48           HE3      TRP  48   1.022   0.596   3.608
  346    HZ2  TRP  48           HZ2      TRP  48  -3.630   1.620   5.098
  347    HZ3  TRP  48           HZ3      TRP  48  -0.898   0.274   2.102
  348    HH2  TRP  48           HH2      TRP  48  -3.180   0.769   2.844
  349    H    ARG  49           HN       ARG  49   3.665  -1.050   4.253
  350    HA   ARG  49           HA       ARG  49   6.268   0.233   4.658
  351    HB2  ARG  49           HB2      ARG  49   5.694  -2.665   4.030
  352    HB3  ARG  49           HB1      ARG  49   7.264  -1.930   3.755
  353    HG2  ARG  49           HG2      ARG  49   7.644  -1.613   6.043
  354    HG3  ARG  49           HG1      ARG  49   5.954  -1.883   6.457
  355    HD2  ARG  49           HD2      ARG  49   6.177  -4.222   5.733
  356    HD3  ARG  49           HD1      ARG  49   7.877  -3.936   5.370
  357    HE   ARG  49           HE       ARG  49   8.164  -3.510   7.783
  358   HH11  ARG  49          HH11      ARG  49   5.356  -5.286   6.721
  359   HH12  ARG  49          HH12      ARG  49   5.173  -6.143   8.225
  360   HH21  ARG  49          HH21      ARG  49   7.943  -4.674   9.766
  361   HH22  ARG  49          HH22      ARG  49   6.639  -5.808   9.929
  362    H    CYS  50           HN       CYS  50   7.554   0.227   2.628
  363    HA   CYS  50           HA       CYS  50   5.750   0.648   0.359
  364    HB2  CYS  50           HB2      CYS  50   8.663   1.424   0.711
  365    HB3  CYS  50           HB1      CYS  50   7.605   1.913  -0.616
  366    HG   CYS  50           HG       CYS  50   5.844   3.267   1.259
  367    H    TYR  51           HN       TYR  51   5.626  -0.866  -1.099
  368    HA   TYR  51           HA       TYR  51   7.824  -2.821  -1.347
  369    HB2  TYR  51           HB2      TYR  51   4.854  -3.322  -1.615
  370    HB3  TYR  51           HB1      TYR  51   6.112  -4.521  -1.831
  371    HD1  TYR  51           HD1      TYR  51   7.826  -4.176   0.408
  372    HD2  TYR  51           HD2      TYR  51   3.602  -3.870   0.234
  373    HE1  TYR  51           HE1      TYR  51   7.697  -4.747   2.794
  374    HE2  TYR  51           HE2      TYR  51   3.452  -4.437   2.624
  375    HH   TYR  51           HH       TYR  51   6.007  -4.295   4.688
  376    H    ILE  52           HN       ILE  52   8.697  -2.629  -3.366
  377    HA   ILE  52           HA       ILE  52   7.220  -1.397  -5.454
  378    HB   ILE  52           HB       ILE  52   9.085  -2.517  -6.912
  379   HG12  ILE  52          HG12      ILE  52  10.300  -2.506  -4.188
  380   HG13  ILE  52          HG11      ILE  52   9.923  -3.954  -5.133
  381   HG21  ILE  52          HG21      ILE  52   8.744  -0.099  -6.393
  382   HG22  ILE  52          HG22      ILE  52  10.428  -0.580  -6.598
  383   HG23  ILE  52          HG23      ILE  52   9.778  -0.324  -4.976
  384   HD11  ILE  52          HD11      ILE  52  11.792  -1.762  -6.002
  385   HD12  ILE  52          HD12      ILE  52  11.465  -3.284  -6.846
  386   HD13  ILE  52          HD13      ILE  52  12.287  -3.303  -5.287
  387    H    GLU  53           HN       GLU  53   6.562  -2.432  -7.447
  388    HA   GLU  53           HA       GLU  53   4.732  -4.435  -7.005
  389    HB2  GLU  53           HB2      GLU  53   4.609  -2.922  -8.880
  390    HB3  GLU  53           HB1      GLU  53   6.058  -3.608  -9.592
  391    HG2  GLU  53           HG2      GLU  53   4.924  -5.725  -9.909
  392    HG3  GLU  53           HG1      GLU  53   3.472  -5.069  -9.128
  393    H    LYS  54           HN       LYS  54   8.071  -4.679  -7.934
  394    HA   LYS  54           HA       LYS  54   8.475  -7.270  -8.656
  395    HB2  LYS  54           HB2      LYS  54   9.990  -5.163  -7.479
  396    HB3  LYS  54           HB1      LYS  54  10.348  -6.613  -6.562
  397    HG2  LYS  54           HG2      LYS  54  10.449  -6.823  -9.518
  398    HG3  LYS  54           HG1      LYS  54  11.721  -5.901  -8.721
  399    HD2  LYS  54           HD2      LYS  54  12.520  -8.123  -8.913
  400    HD3  LYS  54           HD1      LYS  54  12.076  -7.896  -7.223
  401    HE2  LYS  54           HE2      LYS  54   9.946  -9.037  -7.641
  402    HE3  LYS  54           HE1      LYS  54  10.411  -9.281  -9.326
  403    HZ1  LYS  54           HZ1      LYS  54  11.847 -10.370  -6.959
  404    HZ2  LYS  54           HZ2      LYS  54  12.284 -10.617  -8.578
  405    HZ3  LYS  54           HZ3      LYS  54  10.826 -11.256  -7.980
  406    H    GLU  55           HN       GLU  55   7.720  -6.018  -5.493
  407    HA   GLU  55           HA       GLU  55   8.425  -8.515  -4.182
  408    HB2  GLU  55           HB2      GLU  55   7.658  -5.822  -3.065
  409    HB3  GLU  55           HB1      GLU  55   8.342  -7.161  -2.151
  410    HG2  GLU  55           HG2      GLU  55   9.688  -5.686  -4.417
  411    HG3  GLU  55           HG1      GLU  55  10.038  -5.478  -2.696
  412    H    LEU  56           HN       LEU  56   5.564  -6.715  -5.036
  413    HA   LEU  56           HA       LEU  56   3.888  -8.067  -3.132
  414    HB2  LEU  56           HB2      LEU  56   3.253  -6.312  -5.486
  415    HB3  LEU  56           HB1      LEU  56   2.034  -7.084  -4.515
  416    HG   LEU  56           HG       LEU  56   2.893  -5.808  -2.510
  417   HD11  LEU  56          HD11      LEU  56   4.450  -4.400  -4.700
  418   HD12  LEU  56          HD12      LEU  56   5.141  -5.376  -3.403
  419   HD13  LEU  56          HD13      LEU  56   4.306  -3.867  -3.027
  420   HD21  LEU  56          HD21      LEU  56   0.942  -5.086  -3.758
  421   HD22  LEU  56          HD22      LEU  56   1.961  -4.304  -4.976
  422   HD23  LEU  56          HD23      LEU  56   1.913  -3.678  -3.318
  423    H    ASP  57           HN       ASP  57   1.858  -9.013  -4.032
  424    HA   ASP  57           HA       ASP  57   2.241 -10.572  -6.493
  425    HB2  ASP  57           HB2      ASP  57   2.576 -11.994  -4.449
  426    HB3  ASP  57           HB1      ASP  57   0.944 -11.583  -3.947
  427    H    PHE  58           HN       PHE  58   0.597 -10.204  -7.870
  428    HA   PHE  58           HA       PHE  58  -1.741  -8.750  -6.841
  429    HB2  PHE  58           HB2      PHE  58  -0.477  -8.982  -9.557
  430    HB3  PHE  58           HB1      PHE  58  -2.145  -8.439  -9.385
  431    HD1  PHE  58           HD1      PHE  58   1.350  -7.678  -8.437
  432    HD2  PHE  58           HD2      PHE  58  -2.658  -6.276  -8.665
  433    HE1  PHE  58           HE1      PHE  58   2.135  -5.393  -7.972
  434    HE2  PHE  58           HE2      PHE  58  -1.880  -3.983  -8.204
  435    HZ   PHE  58           HZ       PHE  58   0.518  -3.542  -7.857
  436    H    SER  59           HN       SER  59  -1.053 -11.845  -7.108
  437    HA   SER  59           HA       SER  59  -3.770 -12.537  -7.987
  438    HB2  SER  59           HB2      SER  59  -2.622 -14.932  -7.307
  439    HB3  SER  59           HB1      SER  59  -2.656 -14.269  -8.938
  440    HG   SER  59           HG       SER  59  -0.570 -13.741  -7.071
  441    H    LYS  60           HN       LYS  60  -2.061 -11.533  -5.433
  442    HA   LYS  60           HA       LYS  60  -3.880 -12.714  -3.464
  443    HB2  LYS  60           HB2      LYS  60  -1.224 -11.365  -3.335
  444    HB3  LYS  60           HB1      LYS  60  -2.359 -11.009  -2.061
  445    HG2  LYS  60           HG2      LYS  60  -0.949 -12.739  -1.294
  446    HG3  LYS  60           HG1      LYS  60  -2.535 -13.439  -1.596
  447    HD2  LYS  60           HD2      LYS  60  -0.635 -13.541  -3.850
  448    HD3  LYS  60           HD1      LYS  60  -0.218 -14.527  -2.447
  449    HE2  LYS  60           HE2      LYS  60  -2.793 -14.608  -4.005
  450    HE3  LYS  60           HE1      LYS  60  -1.515 -15.821  -4.027
  451    HZ1  LYS  60           HZ1      LYS  60  -3.389 -15.162  -1.834
  452    HZ2  LYS  60           HZ2      LYS  60  -1.947 -16.004  -1.537
  453    HZ3  LYS  60           HZ3      LYS  60  -3.113 -16.663  -2.578
  454    H    SER  61           HN       SER  61  -5.651 -11.521  -2.946
  455    HA   SER  61           HA       SER  61  -5.799  -8.799  -3.857
  456    HB2  SER  61           HB2      SER  61  -7.998  -8.844  -2.537
  457    HB3  SER  61           HB1      SER  61  -7.876  -9.919  -3.929
  458    HG   SER  61           HG       SER  61  -7.912 -10.523  -1.186
  459    H    GLY  62           HN       GLY  62  -5.273  -7.057  -2.731
  460    HA2  GLY  62           HA2      GLY  62  -3.762  -7.496  -0.320
  461    HA3  GLY  62           HA1      GLY  62  -3.910  -5.986  -1.208
  462    H    ASP  63           HN       ASP  63  -5.291  -8.026   1.234
  463    HA   ASP  63           HA       ASP  63  -7.319  -6.124   2.008
  464    HB2  ASP  63           HB2      ASP  63  -7.453  -8.622   2.401
  465    HB3  ASP  63           HB1      ASP  63  -6.168  -8.452   3.591
  466    H    GLY  64           HN       GLY  64  -4.585  -5.217   1.726
  467    HA2  GLY  64           HA2      GLY  64  -4.062  -4.256   4.462
  468    HA3  GLY  64           HA1      GLY  64  -2.746  -4.883   3.480
  469    H    CYS  65           HN       CYS  65  -5.339  -3.151   2.022
  470    HA   CYS  65           HA       CYS  65  -3.578  -0.823   1.600
  471    HB2  CYS  65           HB2      CYS  65  -6.141  -1.585   0.171
  472    HB3  CYS  65           HB1      CYS  65  -5.023  -0.302  -0.277
  473    HG   CYS  65           HG       CYS  65  -3.681  -1.725  -1.887
  474    H    VAL  66           HN       VAL  66  -4.710   1.265   1.630
  475    HA   VAL  66           HA       VAL  66  -7.050   1.281   3.419
  476    HB   VAL  66           HB       VAL  66  -5.361   2.540   4.499
  477   HG11  VAL  66          HG11      VAL  66  -4.811   3.873   1.858
  478   HG12  VAL  66          HG12      VAL  66  -3.799   2.651   2.641
  479   HG13  VAL  66          HG13      VAL  66  -4.005   4.243   3.386
  480   HG21  VAL  66          HG21      VAL  66  -6.766   4.695   2.980
  481   HG22  VAL  66          HG22      VAL  66  -6.224   4.711   4.672
  482   HG23  VAL  66          HG23      VAL  66  -7.588   3.698   4.181
  483    H    ASP  67           HN       ASP  67  -8.734   2.700   2.783
  484    HA   ASP  67           HA       ASP  67  -8.853   2.938  -0.137
  485    HB2  ASP  67           HB2      ASP  67 -10.599   1.708   1.351
  486    HB3  ASP  67           HB1      ASP  67 -11.205   3.326   1.666
  487    H    ASP  68           HN       ASP  68 -10.995   4.956  -0.108
  488    HA   ASP  68           HA       ASP  68  -9.331   7.309   0.207
  489    HB2  ASP  68           HB2      ASP  68 -12.271   7.162  -0.466
  490    HB3  ASP  68           HB1      ASP  68 -11.303   8.621  -0.470
  491    H    CYS  69           HN       CYS  69  -9.567   6.018   2.550
  492    HA   CYS  69           HA       CYS  69 -10.092   8.058   4.373
  493    HB2  CYS  69           HB2      CYS  69 -12.455   7.510   3.958
  494    HB3  CYS  69           HB1      CYS  69 -12.118   5.813   4.238
  495    HG   CYS  69           HG       CYS  69 -11.517   8.022   6.748
  496    H    GLY  70           HN       GLY  70  -9.139   7.327   6.411
  497    HA2  GLY  70           HA2      GLY  70  -7.354   5.122   6.050
  498    HA3  GLY  70           HA1      GLY  70  -7.558   6.051   7.528
  499    H    SER  71           HN       SER  71  -9.242   3.736   5.541
  500    HA   SER  71           HA       SER  71  -9.543   1.932   7.811
  501    HB2  SER  71           HB2      SER  71 -11.761   2.918   7.537
  502    HB3  SER  71           HB1      SER  71 -11.696   2.673   5.794
  503    HG   SER  71           HG       SER  71 -11.723   0.633   7.783
  504    H    MET  72           HN       MET  72  -9.199  -0.240   7.128
  505    HA   MET  72           HA       MET  72  -7.565  -0.332   4.786
  506    HB2  MET  72           HB2      MET  72  -8.446  -2.672   6.460
  507    HB3  MET  72           HB1      MET  72  -7.084  -2.589   5.350
  508    HG2  MET  72           HG2      MET  72  -5.909  -1.085   6.766
  509    HG3  MET  72           HG1      MET  72  -7.311  -0.890   7.814
  510    HE1  MET  72           HE1      MET  72  -4.893  -4.808   7.481
  511    HE2  MET  72           HE2      MET  72  -4.468  -3.330   6.616
  512    HE3  MET  72           HE3      MET  72  -5.943  -4.202   6.201
  513    H    THR  73           HN       THR  73  -7.927  -1.146   2.871
  514    HA   THR  73           HA       THR  73 -10.576  -2.264   2.300
  515    HB   THR  73           HB       THR  73 -10.336   0.124   1.567
  516    HG1  THR  73           HG1      THR  73 -11.148  -0.309  -0.564
  517   HG21  THR  73          HG21      THR  73  -8.939   0.738  -0.230
  518   HG22  THR  73          HG22      THR  73  -8.480  -0.940  -0.565
  519   HG23  THR  73          HG23      THR  73  -7.902  -0.134   0.904
  520    H    SER  74           HN       SER  74 -10.630  -3.768   0.544
  521    HA   SER  74           HA       SER  74  -8.112  -5.177   0.275
  522    HB2  SER  74           HB2      SER  74 -10.399  -6.256   0.824
  523    HB3  SER  74           HB1      SER  74 -10.678  -6.082  -0.897
  524    HG   SER  74           HG       SER  74  -9.420  -8.027   0.278
  525    H    CYS  75           HN       CYS  75  -6.880  -4.770  -1.349
  526    HA   CYS  75           HA       CYS  75  -7.959  -4.278  -4.014
  527    HB2  CYS  75           HB2      CYS  75  -6.083  -2.381  -2.611
  528    HB3  CYS  75           HB1      CYS  75  -6.570  -2.255  -4.285
  529    HG   CYS  75           HG       CYS  75  -9.283  -2.400  -2.494
  530    H    ARG  76           HN       ARG  76  -6.670  -5.133  -5.616
  531    HA   ARG  76           HA       ARG  76  -5.062  -7.262  -4.790
  532    HB2  ARG  76           HB2      ARG  76  -5.643  -6.087  -7.457
  533    HB3  ARG  76           HB1      ARG  76  -4.410  -7.322  -7.292
  534    HG2  ARG  76           HG2      ARG  76  -6.265  -8.589  -7.726
  535    HG3  ARG  76           HG1      ARG  76  -6.218  -8.594  -5.973
  536    HD2  ARG  76           HD2      ARG  76  -8.272  -7.822  -5.984
  537    HD3  ARG  76           HD1      ARG  76  -7.615  -6.319  -6.621
  538    HE   ARG  76           HE       ARG  76  -8.011  -8.035  -8.784
  539   HH11  ARG  76          HH11      ARG  76  -9.916  -6.299  -6.403
  540   HH12  ARG  76          HH12      ARG  76 -11.323  -6.191  -7.420
  541   HH21  ARG  76          HH21      ARG  76  -9.871  -7.874 -10.132
  542   HH22  ARG  76          HH22      ARG  76 -11.299  -7.078  -9.526
  543    H    GLY  77           HN       GLY  77  -3.177  -7.382  -4.085
  544    HA2  GLY  77           HA2      GLY  77  -0.791  -6.915  -5.047
  545    HA3  GLY  77           HA1      GLY  77  -1.193  -5.283  -4.524
  546    H    SER  78           HN       SER  78   0.232  -8.126  -3.521
  547    HA   SER  78           HA       SER  78   0.548  -7.086  -0.897
  548    HB2  SER  78           HB2      SER  78  -1.617  -9.018  -1.372
  549    HB3  SER  78           HB1      SER  78  -0.497  -9.504  -0.098
  550    HG   SER  78           HG       SER  78  -1.200  -7.943   1.150
  551    H    VAL  79           HN       VAL  79   1.963  -8.156   0.394
  552    HA   VAL  79           HA       VAL  79   4.012  -9.436  -1.067
  553    HB   VAL  79           HB       VAL  79   3.715  -8.800   1.849
  554   HG11  VAL  79          HG11      VAL  79   6.163  -9.806   0.413
  555   HG12  VAL  79          HG12      VAL  79   5.224 -10.702   1.606
  556   HG13  VAL  79          HG13      VAL  79   6.102  -9.251   2.085
  557   HG21  VAL  79          HG21      VAL  79   5.331  -7.030   1.350
  558   HG22  VAL  79          HG22      VAL  79   3.865  -6.869   0.385
  559   HG23  VAL  79          HG23      VAL  79   5.335  -7.519  -0.344
  560    H    SER  80           HN       SER  80   3.453 -11.436  -1.772
  561    HA   SER  80           HA       SER  80   2.128 -13.368  -0.144
  562    HB2  SER  80           HB2      SER  80   1.837 -13.387  -2.534
  563    HB3  SER  80           HB1      SER  80   3.563 -13.622  -2.786
  564    HG   SER  80           HG       SER  80   2.482 -15.588  -2.970
  565    H    GLY  81           HN       GLY  81   5.394 -13.281  -1.563
  566    HA2  GLY  81           HA2      GLY  81   6.351 -14.893   0.710
  567    HA3  GLY  81           HA1      GLY  81   7.192 -14.724  -0.830
  568    HA   PRO  82           HA       PRO  82   8.798 -11.916   2.774
  569    HB2  PRO  82           HB2      PRO  82  11.367 -12.560   1.978
  570    HB3  PRO  82           HB1      PRO  82  10.530 -13.174   3.396
  571    HG2  PRO  82           HG2      PRO  82  10.801 -14.404   0.683
  572    HG3  PRO  82           HG1      PRO  82  10.841 -15.181   2.278
  573    HD2  PRO  82           HD2      PRO  82   8.680 -15.374   0.784
  574    HD3  PRO  82           HD1      PRO  82   8.505 -15.017   2.520
  575    H    SER  83           HN       SER  83   8.733  -9.870   2.164
  576    HA   SER  83           HA       SER  83   9.587  -9.043  -0.468
  577    HB2  SER  83           HB2      SER  83   7.614  -7.999   0.583
  578    HB3  SER  83           HB1      SER  83   8.628  -7.410   1.901
  579    HG   SER  83           HG       SER  83   9.026  -6.750  -0.831
  580    H    THR  84           HN       THR  84  11.502  -8.220  -0.985
  581    HA   THR  84           HA       THR  84  13.414  -7.736   1.211
  582    HB   THR  84           HB       THR  84  14.356  -7.958  -1.595
  583    HG1  THR  84           HG1      THR  84  12.817  -9.868  -0.439
  584   HG21  THR  84          HG21      THR  84  15.949  -7.581   0.188
  585   HG22  THR  84          HG22      THR  84  16.179  -9.213  -0.446
  586   HG23  THR  84          HG23      THR  84  15.328  -8.967   1.083
  587    H    SER  85           HN       SER  85  12.461  -6.598  -2.009
  588    HA   SER  85           HA       SER  85  13.794  -4.077  -1.703
  589    HB2  SER  85           HB2      SER  85  11.684  -4.856  -3.751
  590    HB3  SER  85           HB1      SER  85  12.897  -3.578  -3.892
  591    HG   SER  85           HG       SER  85  13.098  -6.222  -4.452
  592    H    HIS  86           HN       HIS  86  12.868  -3.197   0.221
  593    HA   HIS  86           HA       HIS  86  10.295  -1.978  -0.083
  594    HB2  HIS  86           HB2      HIS  86   9.082  -3.130   1.581
  595    HB3  HIS  86           HB1      HIS  86   9.772  -4.372   0.547
  596    HD1  HIS  86           HD1      HIS  86  12.262  -5.238   1.620
  597    HD2  HIS  86           HD2      HIS  86   9.369  -3.732   4.192
  598    HE1  HIS  86           HE1      HIS  86  12.860  -6.119   3.893
  599    HE2  HIS  86           HE2      HIS  86  11.186  -5.076   5.463
  600    H    LEU  87           HN       LEU  87   9.750  -0.527   1.551
  601    HA   LEU  87           HA       LEU  87  11.840   0.028   3.555
  602    HB2  LEU  87           HB2      LEU  87  10.213   2.016   1.963
  603    HB3  LEU  87           HB1      LEU  87  11.199   2.450   3.347
  604    HG   LEU  87           HG       LEU  87  13.107   1.300   1.911
  605   HD11  LEU  87          HD11      LEU  87  11.142   2.196  -0.182
  606   HD12  LEU  87          HD12      LEU  87  11.647   0.535   0.133
  607   HD13  LEU  87          HD13      LEU  87  12.814   1.711  -0.472
  608   HD21  LEU  87          HD21      LEU  87  12.040   4.052   1.313
  609   HD22  LEU  87          HD22      LEU  87  13.683   3.483   1.018
  610   HD23  LEU  87          HD23      LEU  87  13.082   3.627   2.669
  611    H    THR  88           HN       THR  88  11.006  -0.423   5.510
  612    HA   THR  88           HA       THR  88   8.197  -0.339   6.034
  613    HB   THR  88           HB       THR  88  10.334  -0.310   8.148
  614    HG1  THR  88           HG1      THR  88  10.965  -2.114   7.168
  615   HG21  THR  88          HG21      THR  88   7.565  -1.486   8.084
  616   HG22  THR  88          HG22      THR  88   8.043  -0.002   8.922
  617   HG23  THR  88          HG23      THR  88   8.691  -1.565   9.439
  618    H    ARG  89           HN       ARG  89   7.535   1.760   5.486
  619    HA   ARG  89           HA       ARG  89   8.233   3.738   7.569
  620    HB2  ARG  89           HB2      ARG  89   7.154   4.332   4.808
  621    HB3  ARG  89           HB1      ARG  89   7.763   5.488   5.982
  622    HG2  ARG  89           HG2      ARG  89   9.574   3.363   4.955
  623    HG3  ARG  89           HG1      ARG  89   9.217   4.769   3.951
  624    HD2  ARG  89           HD2      ARG  89   9.933   6.221   5.822
  625    HD3  ARG  89           HD1      ARG  89  10.391   4.774   6.713
  626    HE   ARG  89           HE       ARG  89  11.908   4.380   4.667
  627   HH11  ARG  89          HH11      ARG  89  11.159   7.462   6.142
  628   HH12  ARG  89          HH12      ARG  89  12.616   8.235   5.597
  629   HH21  ARG  89          HH21      ARG  89  13.842   5.385   3.941
  630   HH22  ARG  89          HH22      ARG  89  14.130   7.061   4.315
  631    HA   PRO  90           HA       PRO  90   3.761   2.438   7.661
  632    HB2  PRO  90           HB2      PRO  90   4.069   1.818  10.452
  633    HB3  PRO  90           HB1      PRO  90   3.620   0.742   9.147
  634    HG2  PRO  90           HG2      PRO  90   6.003   0.589  10.484
  635    HG3  PRO  90           HG1      PRO  90   5.739   0.020   8.831
  636    HD2  PRO  90           HD2      PRO  90   7.068   2.495   9.780
  637    HD3  PRO  90           HD1      PRO  90   7.423   1.487   8.385
  638    H    SER  91           HN       SER  91   5.732   4.278   9.864
  639    HA   SER  91           HA       SER  91   3.759   5.945  10.985
  640    HB2  SER  91           HB2      SER  91   6.563   6.804  10.262
  641    HB3  SER  91           HB1      SER  91   5.585   7.319  11.641
  642    HG   SER  91           HG       SER  91   5.999   5.462  12.671
  643    H    GLU  92           HN       GLU  92   5.670   6.082   8.051
  644    HA   GLU  92           HA       GLU  92   4.859   8.744   7.384
  645    HB2  GLU  92           HB2      GLU  92   6.697   6.698   6.292
  646    HB3  GLU  92           HB1      GLU  92   6.126   7.933   5.179
  647    HG2  GLU  92           HG2      GLU  92   8.274   8.508   6.210
  648    HG3  GLU  92           HG1      GLU  92   7.011   9.672   6.607
  649    H    LEU  93           HN       LEU  93   4.078   5.486   6.153
  650    HA   LEU  93           HA       LEU  93   2.399   6.359   4.062
  651    HB2  LEU  93           HB2      LEU  93   2.561   3.843   5.656
  652    HB3  LEU  93           HB1      LEU  93   1.160   4.107   4.649
  653    HG   LEU  93           HG       LEU  93   2.624   2.759   3.395
  654   HD11  LEU  93          HD11      LEU  93   1.614   4.502   2.085
  655   HD12  LEU  93          HD12      LEU  93   3.242   4.185   1.488
  656   HD13  LEU  93          HD13      LEU  93   2.927   5.611   2.479
  657   HD21  LEU  93          HD21      LEU  93   4.958   3.332   2.927
  658   HD22  LEU  93          HD22      LEU  93   4.673   3.088   4.650
  659   HD23  LEU  93          HD23      LEU  93   4.830   4.721   4.005
  660    H    GLN  94           HN       GLN  94   1.665   5.582   7.452
  661    HA   GLN  94           HA       GLN  94  -1.147   6.005   7.132
  662    HB2  GLN  94           HB2      GLN  94   0.518   4.907   9.091
  663    HB3  GLN  94           HB1      GLN  94  -0.194   6.315   9.859
  664    HG2  GLN  94           HG2      GLN  94  -1.749   4.151   8.466
  665    HG3  GLN  94           HG1      GLN  94  -1.481   4.235  10.206
  666   HE21  GLN  94          HE21      GLN  94  -3.891   4.399   8.401
  667   HE22  GLN  94          HE22      GLN  94  -4.743   5.802   8.944
  668    H    ALA  95           HN       ALA  95   1.556   7.994   7.582
  669    HA   ALA  95           HA       ALA  95   0.362  10.271   8.735
  670    HB1  ALA  95           HB1      ALA  95   2.612  10.280   6.764
  671    HB2  ALA  95           HB2      ALA  95   2.817   9.796   8.453
  672    HB3  ALA  95           HB3      ALA  95   2.284  11.436   8.054
  673    H    VAL  96           HN       VAL  96   0.938   9.360   5.335
  674    HA   VAL  96           HA       VAL  96  -0.361  11.704   4.384
  675    HB   VAL  96           HB       VAL  96   0.691  11.216   2.487
  676   HG11  VAL  96          HG11      VAL  96   1.231   8.447   3.525
  677   HG12  VAL  96          HG12      VAL  96   2.229   9.869   3.828
  678   HG13  VAL  96          HG13      VAL  96   2.057   9.246   2.177
  679   HG21  VAL  96          HG21      VAL  96  -1.451  10.326   1.749
  680   HG22  VAL  96          HG22      VAL  96  -1.003   8.729   2.372
  681   HG23  VAL  96          HG23      VAL  96  -0.109   9.428   1.019
  682    H    ILE  97           HN       ILE  97  -1.299   8.411   5.138
  683    HA   ILE  97           HA       ILE  97  -3.893   8.495   4.120
  684    HB   ILE  97           HB       ILE  97  -2.721   7.233   6.576
  685   HG12  ILE  97          HG12      ILE  97  -4.055   5.757   4.370
  686   HG13  ILE  97          HG11      ILE  97  -2.497   6.507   4.032
  687   HG21  ILE  97          HG21      ILE  97  -4.812   6.073   6.959
  688   HG22  ILE  97          HG22      ILE  97  -5.574   6.984   5.652
  689   HG23  ILE  97          HG23      ILE  97  -5.031   7.817   7.109
  690   HD11  ILE  97          HD11      ILE  97  -3.022   4.593   6.291
  691   HD12  ILE  97          HD12      ILE  97  -1.460   5.246   5.789
  692   HD13  ILE  97          HD13      ILE  97  -2.341   4.147   4.728
  693    H    ASP  98           HN       ASP  98  -2.792   9.313   7.391
  694    HA   ASP  98           HA       ASP  98  -5.038  10.641   8.279
  695    HB2  ASP  98           HB2      ASP  98  -3.240  10.100   9.777
  696    HB3  ASP  98           HB1      ASP  98  -2.126  11.153   8.906
  697    H    SER  99           HN       SER  99  -2.353  11.960   6.363
  698    HA   SER  99           HA       SER  99  -3.367  14.661   6.554
  699    HB2  SER  99           HB2      SER  99  -1.132  13.570   4.845
  700    HB3  SER  99           HB1      SER  99  -1.454  15.265   5.223
  701    HG   SER  99           HG       SER  99  -0.699  13.209   7.035
  702    H    ASP 100           HN       ASP 100  -2.795  12.450   3.774
  703    HA   ASP 100           HA       ASP 100  -4.129  14.076   1.911
  704    HB2  ASP 100           HB2      ASP 100  -3.195  11.287   1.929
  705    HB3  ASP 100           HB1      ASP 100  -4.063  11.909   0.607
  706    H    LYS 101           HN       LYS 101  -5.417  12.034   4.326
  707    HA   LYS 101           HA       LYS 101  -7.875  11.302   3.279
  708    HB2  LYS 101           HB2      LYS 101  -6.747  11.822   5.875
  709    HB3  LYS 101           HB1      LYS 101  -8.415  12.395   5.802
  710    HG2  LYS 101           HG2      LYS 101  -9.243  10.320   5.773
  711    HG3  LYS 101           HG1      LYS 101  -7.982   9.716   4.706
  712    HD2  LYS 101           HD2      LYS 101  -7.750   8.596   6.795
  713    HD3  LYS 101           HD1      LYS 101  -6.441   9.749   6.664
  714    HE2  LYS 101           HE2      LYS 101  -8.981  10.210   8.216
  715    HE3  LYS 101           HE1      LYS 101  -7.470   9.640   8.915
  716    HZ1  LYS 101           HZ1      LYS 101  -7.920  12.278   7.615
  717    HZ2  LYS 101           HZ2      LYS 101  -6.433  11.733   8.198
  718    HZ3  LYS 101           HZ3      LYS 101  -7.713  11.992   9.272
  719    H    SER 102           HN       SER 102  -6.635  14.496   3.980
  720    HA   SER 102           HA       SER 102  -9.082  15.924   3.802
  721    HB2  SER 102           HB2      SER 102  -6.948  16.876   4.690
  722    HB3  SER 102           HB1      SER 102  -6.299  16.862   3.051
  723    HG   SER 102           HG       SER 102  -7.463  18.559   2.555
  724    H    ASN 103           HN       ASN 103  -7.028  14.394   1.521
  725    HA   ASN 103           HA       ASN 103  -8.235  15.705  -0.783
  726    HB2  ASN 103           HB2      ASN 103  -5.713  14.917  -0.481
  727    HB3  ASN 103           HB1      ASN 103  -6.382  13.380  -1.015
  728   HD21  ASN 103          HD21      ASN 103  -7.307  13.223  -3.091
  729   HD22  ASN 103          HD22      ASN 103  -6.885  14.341  -4.340
  730    H    TYR 104           HN       TYR 104  -8.290  12.712   1.003
  731    HA   TYR 104           HA       TYR 104 -10.679  11.879  -0.448
  732    HB2  TYR 104           HB2      TYR 104  -8.945   9.598   0.117
  733    HB3  TYR 104           HB1      TYR 104  -9.853   9.956  -1.344
  734    HD1  TYR 104           HD2      TYR 104  -6.710  10.913   0.460
  735    HD2  TYR 104           HD1      TYR 104  -8.696  10.518  -3.286
  736    HE1  TYR 104           HE2      TYR 104  -4.603  11.416  -0.701
  737    HE2  TYR 104           HE1      TYR 104  -6.623  11.024  -4.462
  738    HH   TYR 104           HH       TYR 104  -4.509  11.947  -4.159
  739    H    CYS 105           HN       CYS 105 -12.051  11.703   1.172
  740    HA   CYS 105           HA       CYS 105 -11.675   9.641   3.043
  741    HB2  CYS 105           HB2      CYS 105 -10.546  11.120   4.434
  742    HB3  CYS 105           HB1      CYS 105 -11.575  12.486   4.006
  743    HG   CYS 105           HG       CYS 105 -13.603  11.917   5.683
  744    H    THR 106           HN       THR 106 -13.503   8.677   3.390
  745    HA   THR 106           HA       THR 106 -15.778   9.462   1.905
  746    HB   THR 106           HB       THR 106 -16.774   7.399   3.004
  747    HG1  THR 106           HG1      THR 106 -15.699   6.960   4.807
  748   HG21  THR 106          HG21      THR 106 -15.705   7.315   0.823
  749   HG22  THR 106          HG22      THR 106 -15.366   5.856   1.758
  750   HG23  THR 106          HG23      THR 106 -14.131   7.105   1.595
  751    H    ASP 107           HN       ASP 107 -17.615  10.472   2.513
  752    HA   ASP 107           HA       ASP 107 -17.991  11.357   5.237
  753    HB2  ASP 107           HB2      ASP 107 -20.059  12.381   4.448
  754    HB3  ASP 107           HB1      ASP 107 -18.749  12.762   3.339
  755    H    LYS 108           HN       LYS 108 -19.321   8.920   3.089
  756    HA   LYS 108           HA       LYS 108 -20.064   7.438   5.521
  757    HB2  LYS 108           HB2      LYS 108 -21.823   6.348   4.421
  758    HB3  LYS 108           HB1      LYS 108 -21.952   7.973   3.775
  759    HG2  LYS 108           HG2      LYS 108 -22.176   6.759   1.857
  760    HG3  LYS 108           HG1      LYS 108 -20.426   6.979   1.868
  761    HD2  LYS 108           HD2      LYS 108 -20.598   4.704   1.444
  762    HD3  LYS 108           HD1      LYS 108 -20.434   4.728   3.199
  763    HE2  LYS 108           HE2      LYS 108 -22.190   3.210   2.650
  764    HE3  LYS 108           HE1      LYS 108 -22.923   4.647   3.363
  765    HZ1  LYS 108           HZ1      LYS 108 -23.641   5.390   1.259
  766    HZ2  LYS 108           HZ2      LYS 108 -24.031   3.738   1.313
  767    HZ3  LYS 108           HZ3      LYS 108 -22.675   4.264   0.436
  768    H    SER 109           HN       SER 109 -18.903   5.558   5.802
  769    HA   SER 109           HA       SER 109 -16.598   5.215   4.171
  770    HB2  SER 109           HB2      SER 109 -17.675   3.256   6.195
  771    HB3  SER 109           HB1      SER 109 -16.014   3.424   5.621
  772    HG   SER 109           HG       SER 109 -17.156   4.655   7.666
  773    H    GLU 110           HN       GLU 110 -17.582   4.973   2.102
  774    HA   GLU 110           HA       GLU 110 -19.158   2.699   1.449
  775    HB2  GLU 110           HB2      GLU 110 -18.877   4.950   0.175
  776    HB3  GLU 110           HB1      GLU 110 -17.454   4.195  -0.527
  777    HG2  GLU 110           HG2      GLU 110 -19.255   3.901  -2.044
  778    HG3  GLU 110           HG1      GLU 110 -18.912   2.334  -1.308
  779    H    GLN 111           HN       GLN 111 -15.967   3.531   0.145
  780    HA   GLN 111           HA       GLN 111 -14.136   2.310  -0.432
  781    HB2  GLN 111           HB2      GLN 111 -13.032   1.225   1.453
  782    HB3  GLN 111           HB1      GLN 111 -13.748   2.756   1.932
  783    HG2  GLN 111           HG2      GLN 111 -15.608   1.593   2.970
  784    HG3  GLN 111           HG1      GLN 111 -14.945   0.045   2.452
  785   HE21  GLN 111          HE21      GLN 111 -12.193   0.883   2.993
  786   HE22  GLN 111          HE22      GLN 111 -12.022   0.836   4.712
  787    H    GLN 112           HN       GLN 112 -13.204  -0.243   0.345
  788    HA   GLN 112           HA       GLN 112 -15.291  -2.055  -0.636
  789    HB2  GLN 112           HB2      GLN 112 -13.814  -1.445  -2.518
  790    HB3  GLN 112           HB1      GLN 112 -12.432  -2.046  -1.615
  791    HG2  GLN 112           HG2      GLN 112 -13.425  -4.289  -1.611
  792    HG3  GLN 112           HG1      GLN 112 -14.782  -3.676  -2.554
  793   HE21  GLN 112          HE21      GLN 112 -12.793  -5.741  -3.165
  794   HE22  GLN 112          HE22      GLN 112 -12.066  -5.263  -4.658
  795    HA   PRO 113           HA       PRO 113 -13.216  -4.161   2.868
  796    HB2  PRO 113           HB2      PRO 113 -15.189  -4.005   4.697
  797    HB3  PRO 113           HB1      PRO 113 -14.000  -2.717   4.491
  798    HG2  PRO 113           HG2      PRO 113 -16.846  -2.790   3.723
  799    HG3  PRO 113           HG1      PRO 113 -15.806  -1.399   4.064
  800    HD2  PRO 113           HD2      PRO 113 -16.558  -2.447   1.512
  801    HD3  PRO 113           HD1      PRO 113 -15.470  -1.088   1.851
  802    H    SER 114           HN       SER 114 -16.196  -4.280   1.203
  803    HA   SER 114           HA       SER 114 -16.187  -7.047   0.808
  804    HB2  SER 114           HB2      SER 114 -16.913  -7.101   3.206
  805    HB3  SER 114           HB1      SER 114 -18.322  -6.136   2.767
  806    HG   SER 114           HG       SER 114 -18.598  -7.983   1.141
  807    H    GLN 115           HN       GLN 115 -18.162  -4.132   1.120
  808    HA   GLN 115           HA       GLN 115 -19.712  -3.161  -0.218
  809    HB2  GLN 115           HB2      GLN 115 -17.583  -3.148  -1.642
  810    HB3  GLN 115           HB1      GLN 115 -18.291  -4.492  -2.523
  811    HG2  GLN 115           HG2      GLN 115 -20.149  -3.127  -3.212
  812    HG3  GLN 115           HG1      GLN 115 -19.575  -1.788  -2.218
  813   HE21  GLN 115          HE21      GLN 115 -19.082  -3.619  -5.125
  814   HE22  GLN 115          HE22      GLN 115 -17.973  -2.517  -5.870
  815    H    ALA 116           HN       ALA 116 -20.860  -5.122   0.930
  816    HA   ALA 116           HA       ALA 116 -22.593  -6.323  -1.082
  817    HB1  ALA 116           HB1      ALA 116 -20.855  -8.012  -0.713
  818    HB2  ALA 116           HB2      ALA 116 -22.416  -8.555  -0.093
  819    HB3  ALA 116           HB3      ALA 116 -21.179  -7.970   1.020
  820    H    THR 117           HN       THR 117 -24.120  -7.903   0.524
  821    HA   THR 117           HA       THR 117 -25.734  -7.953   2.128
  822    HB   THR 117           HB       THR 117 -24.501  -5.459   3.314
  823    HG1  THR 117           HG1      THR 117 -22.968  -7.061   3.445
  824   HG21  THR 117          HG21      THR 117 -25.671  -6.153   5.356
  825   HG22  THR 117          HG22      THR 117 -26.376  -7.516   4.488
  826   HG23  THR 117          HG23      THR 117 -26.806  -5.867   4.034
  827    HA   PRO 118           HA       PRO 118 -28.546  -5.228  -0.053
  828    HB2  PRO 118           HB2      PRO 118 -30.595  -6.667   1.476
  829    HB3  PRO 118           HB1      PRO 118 -30.358  -6.580  -0.273
  830    HG2  PRO 118           HG2      PRO 118 -29.870  -8.833   1.125
  831    HG3  PRO 118           HG1      PRO 118 -28.923  -8.379  -0.304
  832    HD2  PRO 118           HD2      PRO 118 -28.230  -8.099   2.595
  833    HD3  PRO 118           HD1      PRO 118 -27.206  -8.608   1.234
  834    HA   PRO 119           HA       PRO 119 -28.929  -2.340   3.381
  835    HB2  PRO 119           HB2      PRO 119 -30.241  -0.689   1.314
  836    HB3  PRO 119           HB1      PRO 119 -28.828  -0.328   2.308
  837    HG2  PRO 119           HG2      PRO 119 -28.591  -0.860  -0.304
  838    HG3  PRO 119           HG1      PRO 119 -27.375  -1.405   0.867
  839    HD2  PRO 119           HD2      PRO 119 -29.581  -2.958  -0.434
  840    HD3  PRO 119           HD1      PRO 119 -27.901  -3.440  -0.119
  841    HA   PRO 120           HA       PRO 120 -33.184  -3.465   4.290
  842    HB2  PRO 120           HB2      PRO 120 -32.694  -1.990   6.786
  843    HB3  PRO 120           HB1      PRO 120 -33.095  -3.694   6.552
  844    HG2  PRO 120           HG2      PRO 120 -30.648  -2.909   7.349
  845    HG3  PRO 120           HG1      PRO 120 -30.891  -4.318   6.301
  846    HD2  PRO 120           HD2      PRO 120 -30.015  -1.548   5.576
  847    HD3  PRO 120           HD1      PRO 120 -29.411  -3.112   4.988
  848    H    GLU 121           HN       GLU 121 -34.142  -2.070   2.778
  849    HA   GLU 121           HA       GLU 121 -34.202   0.767   3.187
  850    HB2  GLU 121           HB2      GLU 121 -34.245  -0.477   0.959
  851    HB3  GLU 121           HB1      GLU 121 -35.932  -0.829   1.301
  852    HG2  GLU 121           HG2      GLU 121 -35.849   1.054  -0.139
  853    HG3  GLU 121           HG1      GLU 121 -36.348   1.615   1.458
  854    H    ILE 122           HN       ILE 122 -36.776  -1.700   3.039
  855    HA   ILE 122           HA       ILE 122 -38.917  -1.722   3.796
  856    HB   ILE 122           HB       ILE 122 -37.859  -0.014   6.064
  857   HG12  ILE 122          HG12      ILE 122 -38.044  -3.029   5.828
  858   HG13  ILE 122          HG11      ILE 122 -36.555  -2.090   5.764
  859   HG21  ILE 122          HG21      ILE 122 -40.271  -1.828   5.898
  860   HG22  ILE 122          HG22      ILE 122 -40.297  -0.065   5.945
  861   HG23  ILE 122          HG23      ILE 122 -39.724  -0.977   7.342
  862   HD11  ILE 122          HD11      ILE 122 -38.415  -2.281   8.121
  863   HD12  ILE 122          HD12      ILE 122 -36.911  -1.362   8.059
  864   HD13  ILE 122          HD13      ILE 122 -36.874  -3.121   7.942
  865    HA   PRO 123           HA       PRO 123 -39.606   2.467   2.003
  866    HB2  PRO 123           HB2      PRO 123 -41.147   1.187  -0.075
  867    HB3  PRO 123           HB1      PRO 123 -39.609   2.038  -0.214
  868    HG2  PRO 123           HG2      PRO 123 -39.905  -0.661  -0.587
  869    HG3  PRO 123           HG1      PRO 123 -38.393   0.112  -0.085
  870    HD2  PRO 123           HD2      PRO 123 -40.435  -1.314   1.577
  871    HD3  PRO 123           HD1      PRO 123 -38.660  -1.354   1.688
</PRE>