*HEADER    SIGNALING PROTEIN                       23-JUN-05   2A36              
*TITLE     SOLUTION STRUCTURE OF THE N-TERMINAL SH3 DOMAIN OF DRK                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PROTEIN E(SEV)2B;                                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: N-TERMINAL SH3 DOMAIN, RESIDUES 1-59;                      
*COMPND   5 SYNONYM: PROTEIN ENHANCER OF SEVENLESS 2B, SH2-SH3 ADAPTER           
*COMPND   6 PROTEIN DRK, DOWNSTREAM OF RECEPTOR KINASE;                          
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER;                        
*SOURCE   3 ORGANISM_COMMON: FRUIT FLY;                                          
*SOURCE   4 GENE: DRK, E(SEV)2B;                                                 
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: HMS174;                                    
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET-11A                                   
*KEYWDS    DROSOPHILA MELANOGASTER, SH3 FRAGMENT, DRK, NMR STRUCTURE             
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    J.D.FORMAN-KAY, I.Y.BEZSONOVA, A.SINGER, W.Y.CHOY,                    
*AUTHOR   2 M.TOLLINGER                                                          
*REVDAT   1   13-DEC-05 2A36    0                                                

MODEL        1
ATOM   1086  X   ANI   500      -7.636  78.746 -73.019  1.00  0.00        500 ANI   X     500 ANI   X   
ATOM   1087  Y   ANI   500      -6.354  79.059 -73.000  1.00  0.00        500 ANI   Y     500 ANI   Y   
ATOM   1088  Z   ANI   500      -7.127  79.670 -73.939  1.00  0.00        500 ANI   Z     500 ANI   Z   
ATOM   1089 OO   ANI   500      -6.937  78.708 -73.734  1.00  0.00        500 ANI   OO    500 ANI   OO  
MODEL        2
ATOM   2175  X   ANI   500     -81.650  53.809  44.023  1.00  0.00        500 ANI   X     500 ANI   X   
ATOM   2176  Y   ANI   500     -81.708  54.150  45.472  1.00  0.00        500 ANI   Y     500 ANI   Y   
ATOM   2177  Z   ANI   500     -82.168  52.879  44.948  1.00  0.00        500 ANI   Z     500 ANI   Z   
ATOM   2178 OO   ANI   500     -82.331  53.846  44.752  1.00  0.00        500 ANI   OO    500 ANI   OO  
MODEL        3
ATOM   3264  X   ANI   500     -50.643  95.222  15.442  1.00  0.00        500 ANI   X     500 ANI   X   
ATOM   3265  Y   ANI   500     -49.360  95.526  15.422  1.00  0.00        500 ANI   Y     500 ANI   Y   
ATOM   3266  Z   ANI   500     -50.149  96.171  14.503  1.00  0.00        500 ANI   Z     500 ANI   Z   
ATOM   3267 OO   ANI   500     -49.974  95.207  14.701  1.00  0.00        500 ANI   OO    500 ANI   OO  
MODEL        4
ATOM   4353  X   ANI   500    -106.125  -2.042  14.694  1.00  0.00        500 ANI   X     500 ANI   X   
ATOM   4354  Y   ANI   500    -106.157  -1.579  16.114  1.00  0.00        500 ANI   Y     500 ANI   Y   
ATOM   4355  Z   ANI   500    -106.635  -2.853  15.658  1.00  0.00        500 ANI   Z     500 ANI   Z   
ATOM   4356 OO   ANI   500    -106.799  -1.896  15.417  1.00  0.00        500 ANI   OO    500 ANI   OO  
MODEL        5
ATOM   5442  X   ANI   500     -78.840  24.040  72.056  1.00  0.00        500 ANI   X     500 ANI   X   
ATOM   5443  Y   ANI   500     -77.555  24.126  72.013  1.00  0.00        500 ANI   Y     500 ANI   Y   
ATOM   5444  Z   ANI   500     -78.359  24.798  71.042  1.00  0.00        500 ANI   Z     500 ANI   Z   
ATOM   5445 OO   ANI   500     -78.209  23.848  71.305  1.00  0.00        500 ANI   OO    500 ANI   OO  
MODEL        6
ATOM   6531  X   ANI   500    -100.476 -35.959  16.643  1.00  0.00        500 ANI   X     500 ANI   X   
ATOM   6532  Y   ANI   500    -100.532 -35.665  18.115  1.00  0.00        500 ANI   Y     500 ANI   Y   
ATOM   6533  Z   ANI   500    -100.984 -36.910  17.583  1.00  0.00        500 ANI   Z     500 ANI   Z   
ATOM   6534 OO   ANI   500    -101.152 -35.945  17.382  1.00  0.00        500 ANI   OO    500 ANI   OO  
MODEL        7
ATOM   7620  X   ANI   500    -102.918  16.709  26.588  1.00  0.00        500 ANI   X     500 ANI   X   
ATOM   7621  Y   ANI   500    -103.010  17.131  28.003  1.00  0.00        500 ANI   Y     500 ANI   Y   
ATOM   7622  Z   ANI   500    -103.516  15.946  27.573  1.00  0.00        500 ANI   Z     500 ANI   Z   
ATOM   7623 OO   ANI   500    -103.635  16.888  27.260  1.00  0.00        500 ANI   OO    500 ANI   OO  
MODEL        8
ATOM   8709  X   ANI   500      -4.235 107.411  14.157  1.00  0.00        500 ANI   X     500 ANI   X   
ATOM   8710  Y   ANI   500      -4.192 106.979  12.713  1.00  0.00        500 ANI   Y     500 ANI   Y   
ATOM   8711  Z   ANI   500      -3.432 106.297  13.703  1.00  0.00        500 ANI   Z     500 ANI   Z   
ATOM   8712 OO   ANI   500      -3.562 107.253  13.437  1.00  0.00        500 ANI   OO    500 ANI   OO  
MODEL        9
ATOM   9798  X   ANI   500    -104.619 -18.767 -21.879  1.00  0.00        500 ANI   X     500 ANI   X   
ATOM   9799  Y   ANI   500    -104.555 -19.133 -23.325  1.00  0.00        500 ANI   Y     500 ANI   Y   
ATOM   9800  Z   ANI   500    -103.804 -19.860 -22.323  1.00  0.00        500 ANI   Z     500 ANI   Z   
ATOM   9801 OO   ANI   500    -103.926 -18.902 -22.585  1.00  0.00        500 ANI   OO    500 ANI   OO  
MODEL       10
ATOM  10887  X   ANI   500     -91.034  53.424  19.650  1.00  0.00        500 ANI   X     500 ANI   X   
ATOM  10888  Y   ANI   500     -91.073  53.776  21.116  1.00  0.00        500 ANI   Y     500 ANI   Y   
ATOM  10889  Z   ANI   500     -91.532  52.542  20.616  1.00  0.00        500 ANI   Z     500 ANI   Z   
ATOM  10890 OO   ANI   500     -91.702  53.499  20.389  1.00  0.00        500 ANI   OO    500 ANI   OO  

#
# NOE constraints
#
assign (resid 1 and name HA )(resid 1 and name HG# ) 3.4 1.6 1.8
assign (resid 1 and name HA )(resid 2 and name HN ) 2.5 0.7 0.7
assign (resid 1 and name HB# )(resid 27 and name HG2# ) 5.0 3.2 4
assign (resid 1 and name HE# )(resid 2 and name HN ) 5.0 3.2 3
assign (resid 1 and name HG# )(resid 2 and name HN ) 3.4 1.6 1.8
assign (resid 1 and name HG# )(resid 27 and name HG2# ) 3.4 1.6 3.3
assign (resid 2 and name HA )(resid 2 and name HN ) 3.4 1.6 0.8
assign (resid 2 and name HA )(resid 3 and name HN ) 3.4 1.6 0.8
assign (resid 2 and name HA )(resid 24 and name HG2# ) 4.0 2.2 3
assign (resid 2 and name HA )(resid 25 and name HN ) 5.0 3.2 1.5
assign (resid 2 and name HA )(resid 26 and name HA ) 2.5 0.7 0.7
assign (resid 2 and name HA )(resid 26 and name HD# ) 3.4 1.6 1.8
assign (resid 2 and name HA )(resid 26 and name HN ) 5.0 3.2 1.5
assign (resid 2 and name HA )(resid 27 and name HA ) 5.0 3.2 1.5
assign (resid 2 and name HA )(resid 27 and name HD1# ) 4.0 2.2 3
assign (resid 2 and name HA )(resid 27 and name HN ) 3.4 1.6 0.8
assign (resid 2 and name HB# )(resid 3 and name HN ) 3.4 1.6 1.8
assign (resid 2 and name HG# )(resid 2 and name HN ) 3.4 1.6 1.8
assign (resid 2 and name HG# )(resid 3 and name HN ) 4.0 2.2 2.5
assign (resid 3 and name HA )(resid 3 and name HN ) 3.4 1.6 0.8
assign (resid 3 and name HA )(resid 4 and name HN ) 3.4 1.6 0.8
assign (resid 3 and name HA )(resid 25 and name HN ) 5.0 3.2 1.5
assign (resid 3 and name HA )(resid 53 and name HD1# ) 4.0 2.2 3
assign (resid 3 and name HA )(resid 54 and name HN ) 4.0 2.2 1.5
assign (resid 3 and name HA )(resid 55 and name HA ) 3.4 1.6 0.8
assign (resid 3 and name HA )(resid 55 and name HN ) 4.0 2.2 1.5
assign (resid 3 and name HA )(resid 56 and name HA ) 4.0 2.2 1.5
assign (resid 3 and name HA )(resid 56 and name HB# ) 5.0 3.2 2.5
assign (resid 3 and name HA )(resid 56 and name HN ) 3.4 1.6 0.8
assign (resid 3 and name HB# )(resid 4 and name HN ) 3.4 1.6 2.3
assign (resid 3 and name HB# )(resid 27 and name HA ) 5.0 3.2 3
assign (resid 3 and name HB# )(resid 53 and name HD1# ) 2.5 0.7 3.7
assign (resid 3 and name HB# )(resid 53 and name HG1# ) 2.5 0.7 3.2
assign (resid 3 and name HB# )(resid 54 and name HN ) 3.4 1.6 2.3
assign (resid 3 and name HB# )(resid 55 and name HA ) 2.5 0.7 2.2
assign (resid 3 and name HB# )(resid 55 and name HG# ) 4.0 2.2 4
assign (resid 3 and name HB# )(resid 55 and name HN ) 4.0 2.2 3
assign (resid 3 and name HN )(resid 24 and name HG2# ) 3.4 1.6 2.3
assign (resid 3 and name HN )(resid 25 and name HD1# ) 5.0 3.2 3
assign (resid 3 and name HN )(resid 25 and name HN ) 3.4 1.6 0.8
assign (resid 3 and name HN )(resid 26 and name HD# ) 5.0 3.2 2.5
assign (resid 3 and name HN )(resid 27 and name HN ) 4.0 2.2 1.5
assign (resid 3 and name HN )(resid 53 and name HD1# ) 4.0 2.2 3
assign (resid 3 and name HN )(resid 56 and name HA ) 5.0 3.2 1.5
assign (resid 3 and name HN )(resid 57 and name HN ) 4.0 2.2 1.5
assign (resid 4 and name HA )(resid 4 and name HD1# ) 3.4 1.6 2.3
assign (resid 4 and name HA )(resid 4 and name HG2# ) 3.4 1.6 2.3
assign (resid 4 and name HA )(resid 4 and name HN ) 3.4 1.6 0.8
assign (resid 4 and name HA )(resid 5 and name HN ) 2.5 0.7 0.7
assign (resid 4 and name HB )(resid 4 and name HD1# ) 2.5 0.7 2.2
assign (resid 4 and name HB )(resid 4 and name HN ) 3.4 1.6 0.8
assign (resid 4 and name HB )(resid 5 and name HN ) 4.0 2.2 1.5
assign (resid 4 and name HD1# )(resid 4 and name HG1# ) 2.5 0.7 3.2
assign (resid 4 and name HD1# )(resid 4 and name HN ) 4.0 2.2 3
assign (resid 4 and name HD1# )(resid 22 and name HA ) 4.0 2.2 3
assign (resid 4 and name HD1# )(resid 22 and name HN ) 3.4 1.6 2.3
assign (resid 4 and name HD1# )(resid 54 and name HB# ) 4.0 2.2 4
assign (resid 4 and name HD1# )(resid 54 and name HG# ) 4.0 2.2 4
assign (resid 4 and name HD1# )(resid 56 and name HE# ) 2.5 0.7 3.2
assign (resid 4 and name HG1# )(resid 4 and name HN ) 4.0 2.2 2.5
assign (resid 4 and name HG1# )(resid 5 and name HN ) 3.4 1.6 1.8
assign (resid 4 and name HG1# )(resid 22 and name HA ) 5.0 3.2 2.5
assign (resid 4 and name HG1# )(resid 53 and name HA ) 4.0 2.2 2.5
assign (resid 4 and name HG2# )(resid 4 and name HN ) 3.4 1.6 2.3
assign (resid 4 and name HG2# )(resid 5 and name HN ) 3.4 1.6 2.3
assign (resid 4 and name HG2# )(resid 6 and name HN ) 5.0 3.2 3
assign (resid 4 and name HG2# )(resid 21 and name HA ) 5.0 3.2 3
assign (resid 4 and name HG2# )(resid 22 and name HA ) 3.4 1.6 2.3
assign (resid 4 and name HG2# )(resid 54 and name HN ) 3.4 1.6 2.3
assign (resid 4 and name HG2# )(resid 55 and name HA ) 5.0 3.2 3
assign (resid 4 and name HG2# )(resid 56 and name HA ) 4.0 2.2 3
assign (resid 4 and name HG2# )(resid 56 and name HN ) 5.0 3.2 3
assign (resid 4 and name HN )(resid 25 and name HD1# ) 5.0 3.2 3
assign (resid 4 and name HN )(resid 53 and name HD1# ) 5.0 3.2 3
assign (resid 4 and name HN )(resid 53 and name HG2# ) 4.0 2.2 3
assign (resid 4 and name HN )(resid 54 and name HB# ) 4.0 2.2 2.5
assign (resid 4 and name HN )(resid 54 and name HG# ) 5.0 3.2 2.5
assign (resid 4 and name HN )(resid 54 and name HN ) 3.4 1.6 0.8
assign (resid 4 and name HN )(resid 55 and name HA ) 4.0 2.2 1.5
assign (resid 4 and name HN )(resid 56 and name HG# ) 3.4 1.6 1.8
assign (resid 5 and name HA )(resid 5 and name HN ) 3.4 1.6 0.8
assign (resid 5 and name HA )(resid 6 and name HN ) 2.5 0.7 0.7
assign (resid 5 and name HA )(resid 7 and name HN ) 4.0 2.2 1.5
assign (resid 5 and name HA )(resid 21 and name HA ) 5.0 3.2 1.5
assign (resid 5 and name HA )(resid 25 and name HD1# ) 4.0 2.2 3
assign (resid 5 and name HA )(resid 25 and name HD2# ) 5.0 3.2 3
assign (resid 5 and name HA )(resid 52 and name HA ) 5.0 3.2 1.5
assign (resid 5 and name HA )(resid 53 and name HA ) 2.5 0.7 0.7
assign (resid 5 and name HA )(resid 53 and name HD1# ) 5.0 3.2 3
assign (resid 5 and name HA )(resid 53 and name HG2# ) 2.5 0.7 2.2
assign (resid 5 and name HA )(resid 53 and name HN ) 5.0 3.2 1.5
assign (resid 5 and name HA )(resid 54 and name HN ) 4.0 2.2 1.5
assign (resid 5 and name HB# )(resid 6 and name HN ) 3.4 1.6 2.3
assign (resid 5 and name HB# )(resid 7 and name HN ) 3.4 1.6 2.3
assign (resid 5 and name HB# )(resid 19 and name HB# ) 4.0 2.2 4
assign (resid 5 and name HB# )(resid 19 and name HD# ) 2.5 0.7 4.2
assign (resid 5 and name HB# )(resid 19 and name HE# ) 3.4 1.6 4.3
assign (resid 5 and name HB# )(resid 21 and name HA ) 2.5 0.7 2.2
assign (resid 5 and name HB# )(resid 21 and name HN ) 5.0 3.2 3
assign (resid 5 and name HB# )(resid 22 and name HA ) 3.4 1.6 2.3
assign (resid 5 and name HB# )(resid 22 and name HN ) 3.4 1.6 2.3
assign (resid 5 and name HB# )(resid 23 and name HA ) 4.0 2.2 3
assign (resid 5 and name HB# )(resid 23 and name HB2 ) 4.0 2.2 3
assign (resid 5 and name HB# )(resid 23 and name HN ) 3.4 1.6 2.3
assign (resid 5 and name HB# )(resid 24 and name HG2# ) 4.0 2.2 4.5
assign (resid 5 and name HB# )(resid 25 and name HD1# ) 5.0 3.2 4.5
assign (resid 5 and name HB# )(resid 25 and name HG ) 2.5 0.7 2.2
assign (resid 5 and name HB# )(resid 53 and name HA ) 4.0 2.2 3
assign (resid 5 and name HN )(resid 21 and name HA ) 5.0 3.2 1.5
assign (resid 5 and name HN )(resid 22 and name HA ) 4.0 2.2 1.5
assign (resid 5 and name HN )(resid 23 and name HB2 ) 5.0 3.2 1.5
assign (resid 5 and name HN )(resid 23 and name HN ) 4.0 2.2 1.5
assign (resid 5 and name HN )(resid 25 and name HB# ) 4.0 2.2 2.5
assign (resid 5 and name HN )(resid 25 and name HD1# ) 3.4 1.6 2.3
assign (resid 5 and name HN )(resid 25 and name HD2# ) 4.0 2.2 3
assign (resid 5 and name HN )(resid 25 and name HN ) 4.0 2.2 1.5
assign (resid 5 and name HN )(resid 53 and name HA ) 5.0 3.2 1.5
assign (resid 6 and name HA )(resid 6 and name HG# ) 3.4 1.6 1.8
assign (resid 6 and name HA )(resid 6 and name HN ) 3.4 1.6 0.8
assign (resid 6 and name HA )(resid 7 and name HN ) 3.4 1.6 0.8
assign (resid 6 and name HA )(resid 21 and name HA ) 5.0 3.2 1.5
assign (resid 6 and name HA )(resid 21 and name HE# ) 4.0 2.2 2.5
assign (resid 6 and name HA )(resid 22 and name HA ) 5.0 3.2 1.5
assign (resid 6 and name HA )(resid 22 and name HN ) 4.0 2.2 1.5
assign (resid 6 and name HA )(resid 53 and name HA ) 5.0 3.2 1.5
assign (resid 6 and name HB# )(resid 7 and name HD2 ) 4.0 2.2 2.5
assign (resid 6 and name HB# )(resid 7 and name HN ) 3.4 1.6 1.8
assign (resid 6 and name HB# )(resid 52 and name HA ) 4.0 2.2 2.5
assign (resid 6 and name HD# )(resid 7 and name HN ) 3.4 1.6 1.8
assign (resid 6 and name HG# )(resid 6 and name HN ) 3.4 1.6 1.8
assign (resid 6 and name HG# )(resid 7 and name HD2 ) 5.0 3.2 2.5
assign (resid 6 and name HG# )(resid 7 and name HN ) 4.0 2.2 2.5
assign (resid 6 and name HG# )(resid 52 and name HA ) 4.0 2.2 2.5
assign (resid 6 and name HN )(resid 7 and name HN ) 3.4 1.6 0.8
assign (resid 6 and name HN )(resid 19 and name HE# ) 5.0 3.2 3.5
assign (resid 6 and name HN )(resid 19 and name HZ ) 5.0 3.2 1.5
assign (resid 6 and name HN )(resid 21 and name HA ) 5.0 3.2 1.5
assign (resid 6 and name HN )(resid 25 and name HD1# ) 5.0 3.2 3
assign (resid 6 and name HN )(resid 25 and name HD2# ) 5.0 3.2 3
assign (resid 6 and name HN )(resid 52 and name HA ) 5.0 3.2 1.5
assign (resid 6 and name HN )(resid 52 and name HB# ) 5.0 3.2 2.5
assign (resid 6 and name HN )(resid 53 and name HA ) 3.4 1.6 0.8
assign (resid 6 and name HN )(resid 53 and name HD1# ) 5.0 3.2 3
assign (resid 6 and name HN )(resid 53 and name HG2# ) 3.4 1.6 2.3
assign (resid 6 and name HN )(resid 53 and name HN ) 5.0 3.2 1.5
assign (resid 6 and name HN )(resid 54 and name HN ) 4.0 2.2 1.5
assign (resid 7 and name HA )(resid 7 and name HE1 ) 4.0 2.2 1.5
assign (resid 7 and name HA )(resid 7 and name HN ) 3.4 1.6 0.8
assign (resid 7 and name HA )(resid 21 and name HA ) 5.0 3.2 1.5
assign (resid 7 and name HB# )(resid 7 and name HD2 ) 4.0 2.2 2.5
assign (resid 7 and name HB# )(resid 7 and name HN ) 3.4 1.6 1.8
assign (resid 7 and name HB# )(resid 8 and name HN ) 3.4 1.6 1.8
assign (resid 7 and name HB# )(resid 52 and name HA ) 4.0 2.2 2.5
assign (resid 7 and name HB# )(resid 52 and name HB# ) 5.0 3.2 3.5
assign (resid 7 and name HB# )(resid 52 and name HD# ) 4.0 2.2 4.5
assign (resid 7 and name HB# )(resid 52 and name HE# ) 4.0 2.2 4.5
assign (resid 7 and name HD2 )(resid 52 and name HA ) 3.4 1.6 0.8
assign (resid 7 and name HE1 )(resid 7 and name HN ) 5.0 3.2 1.5
assign (resid 7 and name HN )(resid 19 and name HZ ) 5.0 3.2 1.5
assign (resid 7 and name HN )(resid 21 and name HA ) 3.4 1.6 0.8
assign (resid 7 and name HN )(resid 52 and name HB# ) 4.0 2.2 2.5
assign (resid 7 and name HN )(resid 53 and name HA ) 4.0 2.2 1.5
assign (resid 8 and name HA )(resid 9 and name HN ) 2.5 0.7 0.7
assign (resid 8 and name HA )(resid 19 and name HD# ) 5.0 3.2 3.5
assign (resid 8 and name HA )(resid 19 and name HE# ) 5.0 3.2 3.5
assign (resid 8 and name HA )(resid 20 and name HA ) 2.5 0.7 0.7
assign (resid 8 and name HA )(resid 20 and name HN ) 5.0 3.2 1.5
assign (resid 8 and name HA )(resid 21 and name HA ) 4.0 2.2 1.5
assign (resid 8 and name HA )(resid 21 and name HN ) 3.4 1.6 0.8
assign (resid 8 and name HB# )(resid 9 and name HN ) 3.4 1.6 1.8
assign (resid 8 and name HB# )(resid 20 and name HA ) 4.0 2.2 2.5
assign (resid 8 and name HB# )(resid 21 and name HN ) 4.0 2.2 2.5
assign (resid 8 and name HN )(resid 20 and name HA ) 4.0 2.2 1.5
assign (resid 8 and name HN )(resid 21 and name HA ) 5.0 3.2 1.5
assign (resid 8 and name HN )(resid 21 and name HB2 ) 3.4 1.6 0.8
assign (resid 8 and name HN )(resid 21 and name HG# ) 4.0 2.2 2.5
assign (resid 8 and name HN )(resid 21 and name HN ) 3.4 1.6 0.8
assign (resid 8 and name HN )(resid 52 and name HD# ) 5.0 3.2 3.5
assign (resid 9 and name HA )(resid 9 and name HE# ) 5.0 3.2 3.5
assign (resid 9 and name HA )(resid 10 and name HN ) 2.5 0.7 0.7
assign (resid 9 and name HA )(resid 52 and name HE# ) 4.0 2.2 3.5
assign (resid 9 and name HB1 )(resid 9 and name HD# ) 3.4 1.6 2.8
assign (resid 9 and name HB1 )(resid 9 and name HE# ) 4.0 2.2 3.5
assign (resid 9 and name HB1 )(resid 9 and name HN ) 3.4 1.6 0.8
assign (resid 9 and name HB1 )(resid 19 and name HE# ) 4.0 2.2 3.5
assign (resid 9 and name HB1 )(resid 19 and name HN ) 3.4 1.6 0.8
assign (resid 9 and name HB1 )(resid 19 and name HZ ) 5.0 3.2 1.5
assign (resid 9 and name HB1 )(resid 52 and name HE# ) 4.0 2.2 3.5
assign (resid 9 and name HB2 )(resid 9 and name HD# ) 3.4 1.6 2.8
assign (resid 9 and name HB2 )(resid 9 and name HE# ) 4.0 2.2 3.5
assign (resid 9 and name HB2 )(resid 9 and name HN ) 3.4 1.6 0.8
assign (resid 9 and name HB2 )(resid 10 and name HN ) 4.0 2.2 1.5
assign (resid 9 and name HB2 )(resid 19 and name HE# ) 4.0 2.2 3.5
assign (resid 9 and name HB2 )(resid 19 and name HN ) 5.0 2.2 1.5
assign (resid 9 and name HB2 )(resid 19 and name HZ ) 4.0 2.2 1.5
assign (resid 9 and name HB2 )(resid 36 and name HZ3 ) 5.0 3.2 1.5
assign (resid 9 and name HB2 )(resid 52 and name HD# ) 3.4 1.6 2.8
assign (resid 9 and name HB2 )(resid 52 and name HE# ) 4.0 2.2 3.5
assign (resid 9 and name HD# )(resid 9 and name HN ) 4.0 2.2 3.5
assign (resid 9 and name HD# )(resid 10 and name HN ) 3.4 1.6 2.8
assign (resid 9 and name HD# )(resid 19 and name HE# ) 4.0 2.2 5.5
assign (resid 9 and name HD# )(resid 19 and name HN ) 4.0 2.2 3.5
assign (resid 9 and name HD# )(resid 19 and name HZ ) 5.0 3.2 3.5
assign (resid 9 and name HD# )(resid 49 and name HB2 ) 5.0 3.2 3.5
assign (resid 9 and name HD# )(resid 49 and name HD# ) 4.0 2.2 4.5
assign (resid 9 and name HD# )(resid 49 and name HG# ) 5.0 3.2 4.5
assign (resid 9 and name HE# )(resid 10 and name HN ) 5.0 3.2 3.5
assign (resid 9 and name HE# )(resid 11 and name HA ) 3.4 1.6 2.8
assign (resid 9 and name HE# )(resid 11 and name HB# ) 4.0 2.2 5
assign (resid 9 and name HE# )(resid 11 and name HN ) 5.0 3.2 3.5
assign (resid 9 and name HE# )(resid 12 and name HN ) 4.0 2.2 3.5
assign (resid 9 and name HE# )(resid 17 and name HN ) 4.0 2.2 3.5
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assign (resid 9 and name HN )(resid 19 and name HA ) 5.0 3.2 1.5
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assign (resid 9 and name HN )(resid 20 and name HD# ) 5.0 3.2 2.5
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assign (resid 9 and name HZ )(resid 11 and name HA ) 4.0 2.2 1.5
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assign (resid 10 and name HA )(resid 10 and name HN ) 3.4 1.6 0.8
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assign (resid 10 and name HA )(resid 18 and name HN ) 5.0 3.2 1.5
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assign (resid 11 and name HA )(resid 12 and name HN ) 2.5 0.7 0.7
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assign (resid 11 and name HB# )(resid 12 and name HN ) 3.4 1.6 2.3
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assign (resid 11 and name HN )(resid 16 and name HN ) 5.0 2.2 1.5
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assign (resid 12 and name HB )(resid 49 and name HA ) 5.0 3.2 1.5
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assign (resid 12 and name HN )(resid 13 and name HN ) 2.5 0.7 0.7
assign (resid 12 and name HN )(resid 16 and name HB# ) 3.4 1.6 1.8
assign (resid 13 and name HA )(resid 13 and name HN ) 3.4 1.6 0.8
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assign (resid 13 and name HB# )(resid 14 and name HN ) 3.4 1.6 2.3
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assign (resid 13 and name HN )(resid 15 and name HN ) 5.0 3.2 1.5
assign (resid 13 and name HN )(resid 16 and name HA ) 5.0 3.2 1.5
assign (resid 13 and name HN )(resid 16 and name HB# ) 3.4 1.6 1.8
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assign (resid 14 and name HA )(resid 14 and name HN ) 3.4 1.6 0.8
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assign (resid 14 and name HB# )(resid 15 and name HN ) 3.4 1.6 1.8
assign (resid 14 and name HN )(resid 15 and name HN ) 3.4 1.6 0.8
assign (resid 14 and name HN )(resid 16 and name HN ) 5.0 3.2 1.5
assign (resid 15 and name HA )(resid 15 and name HN ) 3.4 1.6 0.8
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assign (resid 15 and name HB1 )(resid 47 and name HD1# ) 5.0 3.2 3
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assign (resid 15 and name HN )(resid 16 and name HN ) 3.4 1.6 0.8
assign (resid 16 and name HA )(resid 16 and name HG# ) 3.4 1.6 1.8
assign (resid 16 and name HA )(resid 16 and name HN ) 3.4 1.6 0.8
assign (resid 16 and name HA )(resid 17 and name HN ) 2.5 0.7 0.7
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assign (resid 16 and name HA )(resid 47 and name HA ) 5.0 3.2 1.5
assign (resid 16 and name HA )(resid 47 and name HB# ) 3.4 1.6 1.8
assign (resid 16 and name HA )(resid 47 and name HD1# ) 4.0 2.2 3
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assign (resid 16 and name HA )(resid 47 and name HN ) 3.4 1.6 0.8
assign (resid 16 and name HA )(resid 48 and name HG2# ) 5.0 3.2 3
assign (resid 16 and name HB# )(resid 17 and name HN ) 3.4 1.6 1.8
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assign (resid 16 and name HG# )(resid 16 and name HN ) 3.4 1.6 1.8
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assign (resid 16 and name HG# )(resid 47 and name HA ) 4.0 2.2 2.5
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assign (resid 16 and name HN )(resid 47 and name HB# ) 5.0 3.2 2.5
assign (resid 16 and name HN )(resid 47 and name HD1# ) 5.0 3.2 3
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assign (resid 17 and name HA )(resid 17 and name HD1# ) 2.5 0.7 2.2
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assign (resid 17 and name HD1# )(resid 17 and name HN ) 3.4 1.6 2.3
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assign (resid 17 and name HD1# )(resid 46 and name HN ) 3.4 1.6 2.3
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assign (resid 19 and name HE# )(resid 19 and name HN ) 5.0 3.2 3.5
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assign (resid 48 and name HG2# )(resid 48 and name HN ) 3.4 1.6 2.3
assign (resid 49 and name HA )(resid 51 and name HN ) 4.0 2.2 1.5
assign (resid 49 and name HB1 )(resid 50 and name HN ) 4.0 2.2 1.5
assign (resid 49 and name HB1 )(resid 51 and name HN ) 4.0 2.2 1.5
assign (resid 49 and name HB1 )(resid 52 and name HD# ) 4.0 2.2 3.5
assign (resid 49 and name HB1 )(resid 52 and name HE# ) 5.0 3.2 3.5
assign (resid 49 and name HB1 )(resid 52 and name HN ) 4.0 2.2 1.5
assign (resid 49 and name HB2 )(resid 50 and name HN ) 4.0 2.2 1.5
assign (resid 49 and name HB2 )(resid 51 and name HN ) 3.4 1.6 0.8
assign (resid 49 and name HB2 )(resid 52 and name HB# ) 5.0 3.2 2.5
assign (resid 49 and name HB2 )(resid 52 and name HD# ) 4.0 2.2 3.5
assign (resid 49 and name HB2 )(resid 52 and name HE# ) 4.0 2.2 3.5
assign (resid 49 and name HB2 )(resid 52 and name HN ) 4.0 2.2 1.5
assign (resid 49 and name HD# )(resid 53 and name HG2# ) 5.0 3.2 4
assign (resid 49 and name HG# )(resid 50 and name HN ) 5.0 3.2 2.5
assign (resid 49 and name HG# )(resid 52 and name HB# ) 4.0 2.2 3.5
assign (resid 49 and name HG# )(resid 52 and name HD# ) 4.0 2.2 4.5
assign (resid 49 and name HG# )(resid 52 and name HN ) 5.0 3.2 2.5
assign (resid 50 and name HA )(resid 52 and name HN ) 4.0 2.2 1.5
assign (resid 50 and name HA )(resid 53 and name HD1# ) 3.5 1.7 2.2
assign (resid 50 and name HA )(resid 53 and name HG1# ) 4.0 2.2 2.5
assign (resid 50 and name HA )(resid 53 and name HG2# ) 4.0 2.2 3
assign (resid 50 and name HA )(resid 53 and name HN ) 4.0 2.2 1.5
assign (resid 50 and name HB# )(resid 51 and name HN ) 4.0 2.2 2.5
assign (resid 50 and name HN )(resid 51 and name HN ) 3.4 1.6 0.8
assign (resid 50 and name HN )(resid 52 and name HN ) 5.0 3.2 1.5
assign (resid 50 and name HN )(resid 53 and name HN ) 5.0 3.2 1.5
assign (resid 51 and name HA )(resid 51 and name HD21 ) 4.0 2.2 1.5
assign (resid 51 and name HA )(resid 51 and name HD22 ) 5.0 3.2 1.5
assign (resid 51 and name HA )(resid 51 and name HN ) 3.4 1.6 0.8
assign (resid 51 and name HA )(resid 53 and name HN ) 4.0 2.2 1.5
assign (resid 51 and name HB# )(resid 51 and name HD21 ) 3.4 1.6 1.8
assign (resid 51 and name HB# )(resid 51 and name HD22 ) 3.4 1.6 1.8
assign (resid 51 and name HB# )(resid 52 and name HN ) 4.0 2.2 2.5
assign (resid 51 and name HB# )(resid 53 and name HN ) 5.0 3.2 2.5
assign (resid 51 and name HD21 )(resid 51 and name HN ) 4.0 2.2 1.5
assign (resid 51 and name HD22 )(resid 51 and name HN ) 5.0 3.2 1.5
assign (resid 51 and name HN )(resid 52 and name HA ) 5.0 3.2 1.5
assign (resid 51 and name HN )(resid 52 and name HB# ) 4.0 2.2 2.5
assign (resid 51 and name HN )(resid 52 and name HN ) 3.4 1.6 0.8
assign (resid 51 and name HN )(resid 53 and name HN ) 4.0 2.2 1.5
assign (resid 52 and name HA )(resid 52 and name HD# ) 4.0 2.2 3.5
assign (resid 52 and name HA )(resid 53 and name HN ) 3.4 1.6 0.8
assign (resid 52 and name HB# )(resid 52 and name HD# ) 3.4 1.6 3.8
assign (resid 52 and name HB# )(resid 52 and name HE# ) 4.0 2.2 4.5
assign (resid 52 and name HB# )(resid 52 and name HN ) 3.4 1.6 1.8
assign (resid 52 and name HB# )(resid 53 and name HN ) 4.0 2.2 2.5
assign (resid 52 and name HD# )(resid 52 and name HN ) 3.4 1.6 2.8
assign (resid 52 and name HD# )(resid 53 and name HN ) 5.0 3.2 3.5
assign (resid 52 and name HE# )(resid 52 and name HN ) 4.0 2.2 3.5
assign (resid 52 and name HN )(resid 53 and name HN ) 3.4 1.6 0.8
assign (resid 53 and name HA )(resid 53 and name HD1# ) 4.0 2.2 3
assign (resid 53 and name HA )(resid 53 and name HG2# ) 2.5 0.7 2.2
assign (resid 53 and name HA )(resid 53 and name HN ) 3.4 1.6 0.8
assign (resid 53 and name HA )(resid 54 and name HN ) 2.5 0.7 0.7
assign (resid 53 and name HB )(resid 54 and name HN ) 3.4 1.6 0.8
assign (resid 53 and name HD1# )(resid 53 and name HG1# ) 3.4 1.6 3.3
assign (resid 53 and name HD1# )(resid 54 and name HN ) 3.4 1.6 2.3
assign (resid 53 and name HD1# )(resid 55 and name HA ) 4.0 2.2 3
assign (resid 53 and name HD1# )(resid 55 and name HG# ) 3.4 1.6 3.3
assign (resid 53 and name HD1# )(resid 55 and name HN ) 4.0 2.2 3
assign (resid 53 and name HG1# )(resid 53 and name HN ) 3.4 1.6 1.8
assign (resid 53 and name HG1# )(resid 54 and name HN ) 5.0 3.2 2.5
assign (resid 53 and name HG2# )(resid 53 and name HN ) 3.4 1.6 2.3
assign (resid 53 and name HG2# )(resid 54 and name HN ) 3.4 1.6 2.3
assign (resid 53 and name HG2# )(resid 55 and name HN ) 5.0 3.2 3
assign (resid 54 and name HA )(resid 54 and name HG# ) 2.5 0.7 1.7
assign (resid 54 and name HA )(resid 55 and name HN ) 2.5 0.7 0.7
assign (resid 54 and name HB# )(resid 55 and name HN ) 3.4 1.6 1.8
assign (resid 54 and name HG# )(resid 54 and name HN ) 3.4 1.6 1.8
assign (resid 54 and name HG# )(resid 55 and name HN ) 3.4 1.6 1.8
assign (resid 55 and name HA )(resid 55 and name HE# ) 3.4 1.6 2.3
assign (resid 55 and name HA )(resid 55 and name HG# ) 3.4 1.6 1.8
assign (resid 55 and name HA )(resid 55 and name HN ) 3.4 1.6 0.8
assign (resid 55 and name HA )(resid 56 and name HN ) 2.5 0.7 0.7
assign (resid 55 and name HB# )(resid 55 and name HE# ) 3.4 1.6 3.3
assign (resid 55 and name HB# )(resid 56 and name HN ) 3.4 1.6 1.8
assign (resid 55 and name HE# )(resid 55 and name HG# ) 3.4 1.6 3.3
assign (resid 55 and name HE# )(resid 55 and name HN ) 3.4 1.6 2.3
assign (resid 55 and name HE# )(resid 56 and name HN ) 4.0 2.2 3
assign (resid 55 and name HG# )(resid 55 and name HN ) 3.4 1.6 1.8
assign (resid 55 and name HG# )(resid 56 and name HN ) 5.0 3.2 2.5
assign (resid 56 and name HA )(resid 56 and name HN ) 3.4 1.6 0.8
assign (resid 56 and name HA )(resid 57 and name HN ) 3.4 1.6 0.8
assign (resid 56 and name HB# )(resid 57 and name HN ) 4.0 2.2 2.5
assign (resid 56 and name HD# )(resid 56 and name HN ) 3.4 1.6 1.8
assign (resid 56 and name HE# )(resid 56 and name HG# ) 3.4 1.6 2.8
assign (resid 56 and name HG# )(resid 56 and name HN ) 3.4 1.6 1.8
assign (resid 56 and name HG# )(resid 57 and name HN ) 4.0 2.2 2.5
assign (resid 56 and name HN )(resid 58 and name HN ) 4.0 2.2 1.5
assign (resid 57 and name HA )(resid 57 and name HN ) 3.4 1.6 0.8
assign (resid 57 and name HA )(resid 58 and name HN ) 3.4 1.6 0.8
assign (resid 57 and name HB# )(resid 58 and name HN ) 3.4 1.6 1.8
assign (resid 58 and name HA )(resid 59 and name HN ) 3.4 1.6 0.8
assign (resid 58 and name HB# )(resid 59 and name HN ) 3.4 1.6 1.8
#
# RESIDUAL DIPOLAR COUPLING (RDC) CONSTRAINTS
#  N-HN RDC
#
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   2 and name N  )
       ( resid   2 and name HN  ) 12.44 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   3 and name N  )
       ( resid   3 and name HN  )  6.15 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   4 and name N  )
       ( resid   4 and name HN  )  1.95 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   5 and name N  )
       ( resid   5 and name HN  ) -6.84 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   6 and name N  )
       ( resid   6 and name HN  )  0.86 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   7 and name N  )
       ( resid   7 and name HN  ) -4.71 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   8 and name N  )
       ( resid   8 and name HN  ) -11.09 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   9 and name N  )
       ( resid   9 and name HN  ) -9.90 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  10 and name N  )
       ( resid  10 and name HN  ) -12.54 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  11 and name N  )
       ( resid  11 and name HN  ) -5.74 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  12 and name N  )
       ( resid  12 and name HN  )  5.62 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  13 and name N  )
       ( resid  13 and name HN  ) 10.56 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  14 and name N  )
       ( resid  14 and name HN  )  9.33 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  15 and name N  )
       ( resid  15 and name HN  ) -5.16 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  16 and name N  )
       ( resid  16 and name HN  ) 10.12 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  17 and name N  )
       ( resid  17 and name HN  )  3.76 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  18 and name N  )
       ( resid  18 and name HN  ) -1.51 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  19 and name N  )
       ( resid  19 and name HN  ) -12.55 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  20 and name N  )
       ( resid  20 and name HN  ) -10.79 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  21 and name N  )
       ( resid  21 and name HN  ) -1.82 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  22 and name N  )
       ( resid  22 and name HN  ) -1.69 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  23 and name N  )
       ( resid  23 and name HN  ) -0.06 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  24 and name N  )
       ( resid  24 and name HN  ) -3.24 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  26 and name N  )
       ( resid  26 and name HN  ) 12.83 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  27 and name N  )
       ( resid  27 and name HN  ) 13.40 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  28 and name N  )
       ( resid  28 and name HN  )  0.74 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  29 and name N  )
       ( resid  29 and name HN  ) -9.51 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  30 and name N  )
       ( resid  30 and name HN  ) -2.33 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  31 and name N  )
       ( resid  31 and name HN  ) -5.17 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  32 and name N  )
       ( resid  32 and name HN  ) -4.65 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  33 and name N  )
       ( resid  33 and name HN  ) -0.71 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  34 and name N  )
       ( resid  34 and name HN  ) -1.87 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  35 and name N  )
       ( resid  35 and name HN  )  5.45 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  36 and name N  )
       ( resid  36 and name HN  ) -1.58 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  37 and name N  )
       ( resid  37 and name HN  ) -4.59 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  38 and name N  )
       ( resid  38 and name HN  )  6.56 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  40 and name N  )
       ( resid  40 and name HN  ) 15.93 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  41 and name N  )
       ( resid  41 and name HN  ) 12.74 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  42 and name N  )
       ( resid  42 and name HN  ) 14.81 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  44 and name N  )
       ( resid  44 and name HN  )  2.43 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  45 and name N  )
       ( resid  45 and name HN  )  9.34 0.39


assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  47 and name N  )
       ( resid  47 and name HN  ) 15.64 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  48 and name N  )
       ( resid  48 and name HN  )  0.63 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  50 and name N  )
       ( resid  50 and name HN  )  3.64 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  51 and name N  )
       ( resid  51 and name HN  ) 12.15 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  52 and name N  )
       ( resid  52 and name HN  ) -1.87 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  53 and name N  )
       ( resid  53 and name HN  ) -1.28 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  54 and name N  )
       ( resid  54 and name HN  ) -2.74 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  55 and name N  )
       ( resid  55 and name HN  ) -6.97 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  56 and name N  )
       ( resid  56 and name HN  )  1.18 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  57 and name N  )
       ( resid  57 and name HN  ) -4.16 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  58 and name N  )
       ( resid  58 and name HN  ) -1.25 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  59 and name N  )
       ( resid  59 and name HN  ) -0.51 0.39
#
#  N-CO RDC
#
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   2 and name N  )
       ( resid   1 and name C  ) -1.30 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   3 and name N  )
       ( resid   2 and name C  )  1.69 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   4 and name N  )
       ( resid   3 and name C  ) -10.98 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   5 and name N  )
       ( resid   4 and name C  )  5.69 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   6 and name N  )
       ( resid   5 and name C  ) -8.17 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   7 and name N  )
       ( resid   6 and name C  ) 13.95 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   8 and name N  )
       ( resid   7 and name C  )  4.10 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   9 and name N  )
       ( resid   8 and name C  ) -1.07 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  10 and name N  )
       ( resid   9 and name C  )  3.53 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  11 and name N  )
       ( resid  10 and name C  ) -7.99 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  12 and name N  )
       ( resid  11 and name C  ) -0.60 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  13 and name N  )
       ( resid  12 and name C  ) -9.32 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  14 and name N  )
       ( resid  13 and name C  ) -0.77 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  15 and name N  )
       ( resid  14 and name C  )  0.43 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  16 and name N  )
       ( resid  15 and name C  ) -9.50 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  17 and name N  )
       ( resid  16 and name C  ) 12.46 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  18 and name N  )
       ( resid  17 and name C  )  0.18 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  19 and name N  )
       ( resid  18 and name C  ) -3.61 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  20 and name N  )
       ( resid  19 and name C  )  9.04 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  21 and name N  )
       ( resid  20 and name C  ) -9.27 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  22 and name N  )
       ( resid  21 and name C  ) 11.29 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  23 and name N  )
       ( resid  22 and name C  ) 13.19 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  26 and name N  )
       ( resid  25 and name C  ) -6.72 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  27 and name N  )
       ( resid  26 and name C  )  8.32 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  28 and name N  )
       ( resid  27 and name C  ) 10.68 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  29 and name N  )
       ( resid  28 and name C  ) -7.33 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  30 and name N  )
       ( resid  29 and name C  )  5.93 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  31 and name N  )
       ( resid  30 and name C  ) -3.35 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  32 and name N  )
       ( resid  31 and name C  )  7.54 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  33 and name N  )
       ( resid  32 and name C  )  1.79 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  34 and name N  )
       ( resid  33 and name C  )  0.55 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  35 and name N  )
       ( resid  34 and name C  )  7.55 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  36 and name N  )
       ( resid  35 and name C  ) -7.61 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  37 and name N  )
       ( resid  36 and name C  )  0.58 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  38 and name N  )
       ( resid  37 and name C  ) -13.86 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  40 and name N  )
       ( resid  39 and name C  )  1.28 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  41 and name N  )
       ( resid  40 and name C  )  6.61 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  42 and name N  )
       ( resid  41 and name C  ) -3.29 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  44 and name N  )
       ( resid  43 and name C  ) -13.73 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  45 and name N  )
       ( resid  44 and name C  )  1.54 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  47 and name N  )
       ( resid  46 and name C  ) -6.24 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  48 and name N  )
       ( resid  47 and name C  )  8.26 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  50 and name N  )
       ( resid  49 and name C  )  0.76 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  51 and name N  )
       ( resid  50 and name C  ) -9.00 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  52 and name N  )
       ( resid  51 and name C  ) -2.25 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  53 and name N  )
       ( resid  52 and name C  )  1.27 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  54 and name N  )
       ( resid  53 and name C  )  9.90 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  55 and name N  )
       ( resid  54 and name C  )  0.64 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  56 and name N  )
       ( resid  55 and name C  ) -8.30 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  57 and name N  )
       ( resid  56 and name C  )  4.16 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  58 and name N  )
       ( resid  57 and name C  ) -3.62 0.50

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  59 and name N  )
       ( resid  58 and name C  ) -0.10 0.50
#
#  CO-CA RDC
#
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   1 and name C  )
       ( resid   1 and name CA  ) -3.78 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   2 and name C  )
       ( resid   2 and name CA  ) -14.60 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   3 and name C  )
       ( resid   3 and name CA  ) -4.40 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   4 and name C  )
       ( resid   4 and name CA  ) -3.76 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   5 and name C  )
       ( resid   5 and name CA  ) -11.18 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   6 and name C  )
       ( resid   6 and name CA  ) -3.63 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   7 and name C  )
       ( resid   7 and name CA  )  2.50 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   8 and name C  )
       ( resid   8 and name CA  ) -0.00 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   9 and name C  )
       ( resid   9 and name CA  ) -0.90 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  10 and name C  )
       ( resid  10 and name CA  )  7.61 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  11 and name C  )
       ( resid  11 and name CA  )  6.22 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  12 and name C  )
       ( resid  12 and name CA  )  0.87 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  13 and name C  )
       ( resid  13 and name CA  ) -10.69 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  14 and name C  )
       ( resid  14 and name CA  ) -0.24 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  15 and name C  )
       ( resid  15 and name CA  )  8.82 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  16 and name C  )
       ( resid  16 and name CA  ) -0.21 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  17 and name C  )
       ( resid  17 and name CA  ) -3.11 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  18 and name C  )
       ( resid  18 and name CA  )  5.53 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  19 and name C  )
       ( resid  19 and name CA  ) -6.92 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  20 and name C  )
       ( resid  20 and name CA  )  7.71 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  21 and name C  )
       ( resid  21 and name CA  ) -2.56 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  22 and name C  )
       ( resid  22 and name CA  ) -18.19 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  23 and name C  )
       ( resid  23 and name CA  ) -3.21 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  25 and name C  )
       ( resid  25 and name CA  ) -6.93 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  26 and name C  )
       ( resid  26 and name CA  )  2.93 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  27 and name C  )
       ( resid  27 and name CA  ) -7.70 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  28 and name C  )
       ( resid  28 and name CA  )  6.17 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  29 and name C  )
       ( resid  29 and name CA  ) -11.77 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  30 and name C  )
       ( resid  30 and name CA  ) -2.59 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  31 and name C  )
       ( resid  31 and name CA  ) -2.35 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  32 and name C  )
       ( resid  32 and name CA  ) -8.55 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  33 and name C  )
       ( resid  33 and name CA  )  7.00 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  34 and name C  )
       ( resid  34 and name CA  )  2.38 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  35 and name C  )
       ( resid  35 and name CA  )  0.73 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  36 and name C  )
       ( resid  36 and name CA  ) -17.58 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  37 and name C  )
       ( resid  37 and name CA  ) -3.94 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  38 and name C  )
       ( resid  38 and name CA  )  7.79 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  39 and name C  )
       ( resid  39 and name CA  ) -3.38 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  40 and name C  )
       ( resid  40 and name CA  )  0.38 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  41 and name C  )
       ( resid  41 and name CA  )  0.44 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  43 and name C  )
       ( resid  43 and name CA  )  0.81 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  44 and name C  )
       ( resid  44 and name CA  )  3.25 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  45 and name C  )
       ( resid  45 and name CA  ) -12.67 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  46 and name C  )
       ( resid  46 and name CA  ) -6.11 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  47 and name C  )
       ( resid  47 and name CA  ) -9.26 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  49 and name C  )
       ( resid  49 and name CA  ) 18.78 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  50 and name C  )
       ( resid  50 and name CA  ) -2.05 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  51 and name C  )
       ( resid  51 and name CA  )  0.11 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  52 and name C  )
       ( resid  52 and name CA  ) -4.49 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  53 and name C  )
       ( resid  53 and name CA  )  5.10 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  54 and name C  )
       ( resid  54 and name CA  ) -8.49 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  55 and name C  )
       ( resid  55 and name CA  ) 10.62 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  56 and name C  )
       ( resid  56 and name CA  )  7.87 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  57 and name C  )
       ( resid  57 and name CA  )  2.52 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  58 and name C  )
       ( resid  58 and name CA  )  2.47 0.53
#
#  CA-HA RDC
#
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   1 and name CA  )
       ( resid   1 and name HA  ) 12.33 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   2 and name CA  )
       ( resid   2 and name HA  ) 14.41 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   3 and name CA  )
       ( resid   3 and name HA  ) 12.52 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   4 and name CA  )
       ( resid   4 and name HA  ) -3.50 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   5 and name CA  )
       ( resid   5 and name HA  ) -0.68 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   7 and name CA  )
       ( resid   7 and name HA  ) -2.42 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   8 and name CA  )
       ( resid   8 and name HA  ) -12.68 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   9 and name CA  )
       ( resid   9 and name HA  ) -13.16 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  10 and name CA  )
       ( resid  10 and name HA  ) -13.06 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  11 and name CA  )
       ( resid  11 and name HA  )  3.45 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  12 and name CA  )
       ( resid  12 and name HA  )  1.96 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  13 and name CA  )
       ( resid  13 and name HA  ) 14.03 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  14 and name CA  )
       ( resid  14 and name HA  ) -0.43 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  15 and name CA  )
       ( resid  15 and name HA  ) -12.41 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  16 and name CA  )
       ( resid  16 and name HA  )  9.88 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  17 and name CA  )
       ( resid  17 and name HA  )  5.64 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  18 and name CA  )
       ( resid  18 and name HA  ) -10.62 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  19 and name CA  )
       ( resid  19 and name HA  ) -7.29 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  21 and name CA  )
       ( resid  21 and name HA  ) -0.31 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  25 and name CA  )
       ( resid  25 and name HA  )  2.41 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  26 and name CA  )
       ( resid  26 and name HA  ) 14.42 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  27 and name CA  )
       ( resid  27 and name HA  )  9.57 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  29 and name CA  )
       ( resid  29 and name HA  )  6.26 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  30 and name CA  )
       ( resid  30 and name HA  ) -0.36 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  31 and name CA  )
       ( resid  31 and name HA  ) -3.11 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  32 and name CA  )
       ( resid  32 and name HA  )  2.22 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  33 and name CA  )
       ( resid  33 and name HA  ) -3.28 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  34 and name CA  )
       ( resid  34 and name HA  ) -2.04 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  35 and name CA  )
       ( resid  35 and name HA  )  7.76 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  36 and name CA  )
       ( resid  36 and name HA  ) -2.55 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  37 and name CA  )
       ( resid  37 and name HA  ) -2.37 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  38 and name CA  )
       ( resid  38 and name HA  )  7.05 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  39 and name CA  )
       ( resid  39 and name HA  )  6.10 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  40 and name CA  )
       ( resid  40 and name HA  ) 15.75 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  44 and name CA  )
       ( resid  44 and name HA  )  0.53 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  47 and name CA  )
       ( resid  47 and name HA  )  7.24 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  49 and name CA  )
       ( resid  49 and name HA  )  0.49 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  50 and name CA  )
       ( resid  50 and name HA  ) -8.74 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  51 and name CA  )
       ( resid  51 and name HA  ) 13.60 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  52 and name CA  )
       ( resid  52 and name HA  ) -10.94 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  53 and name CA  )
       ( resid  53 and name HA  ) -3.40 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  54 and name CA  )
       ( resid  54 and name HA  ) -3.21 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  55 and name CA  )
       ( resid  55 and name HA  )  1.43 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  56 and name CA  )
       ( resid  56 and name HA  ) -5.90 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  57 and name CA  )
       ( resid  57 and name HA  ) -2.27 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  58 and name CA  )
       ( resid  58 and name HA  ) -2.09 0.30
#
#  CA-CB RDC
#
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   1 and name CA  )
       ( resid   1 and name CB  ) -0.25 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   2 and name CA  )
       ( resid   2 and name CB  )  1.00 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   3 and name CA  )
       ( resid   3 and name CB  )  5.79 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   4 and name CA  )
       ( resid   4 and name CB  ) 11.68 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   5 and name CA  )
       ( resid   5 and name CB  ) 12.75 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   7 and name CA  )
       ( resid   7 and name CB  ) -0.16 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   8 and name CA  )
       ( resid   8 and name CB  )  2.95 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   9 and name CA  )
       ( resid   9 and name CB  ) -1.24 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  10 and name CA  )
       ( resid  10 and name CB  )  7.68 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  11 and name CA  )
       ( resid  11 and name CB  ) -14.30 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  12 and name CA  )
       ( resid  12 and name CB  ) -9.10 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  13 and name CA  )
       ( resid  13 and name CB  )  2.46 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  14 and name CA  )
       ( resid  14 and name CB  )  6.66 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  15 and name CA  )
       ( resid  15 and name CB  ) -2.24 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  16 and name CA  )
       ( resid  16 and name CB  ) -16.95 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  17 and name CA  )
       ( resid  17 and name CB  )  7.10 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  18 and name CA  )
       ( resid  18 and name CB  )  7.61 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  19 and name CA  )
       ( resid  19 and name CB  )  9.39 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  21 and name CA  )
       ( resid  21 and name CB  ) -9.45 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  22 and name CA  )
       ( resid  22 and name CB  )  1.11 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  23 and name CA  )
       ( resid  23 and name CB  )  7.68 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  25 and name CA  )
       ( resid  25 and name CB  ) -4.81 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  26 and name CA  )
       ( resid  26 and name CB  ) -6.09 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  27 and name CA  )
       ( resid  27 and name CB  ) -0.86 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  29 and name CA  )
       ( resid  29 and name CB  )  9.92 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  30 and name CA  )
       ( resid  30 and name CB  )  5.56 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  31 and name CA  )
       ( resid  31 and name CB  ) -0.31 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  32 and name CA  )
       ( resid  32 and name CB  )  4.66 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  33 and name CA  )
       ( resid  33 and name CB  )  7.45 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  34 and name CA  )
       ( resid  34 and name CB  ) -2.38 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  35 and name CA  )
       ( resid  35 and name CB  ) -2.58 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  36 and name CA  )
       ( resid  36 and name CB  ) 17.19 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  37 and name CA  )
       ( resid  37 and name CB  ) 15.91 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  38 and name CA  )
       ( resid  38 and name CB  ) -5.41 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  39 and name CA  )
       ( resid  39 and name CB  ) -8.67 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  40 and name CA  )
       ( resid  40 and name CB  ) -12.07 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  44 and name CA  )
       ( resid  44 and name CB  ) -4.22 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  47 and name CA  )
       ( resid  47 and name CB  )  3.53 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  49 and name CA  )
       ( resid  49 and name CB  ) -10.46 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  50 and name CA  )
       ( resid  50 and name CB  )  0.17 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  51 and name CA  )
       ( resid  51 and name CB  ) -8.14 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  52 and name CA  )
       ( resid  52 and name CB  ) 13.64 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  53 and name CA  )
       ( resid  53 and name CB  ) -10.35 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  54 and name CA  )
       ( resid  54 and name CB  )  2.22 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  55 and name CA  )
       ( resid  55 and name CB  )  0.13 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  56 and name CA  )
       ( resid  56 and name CB  ) -4.31 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  57 and name CA  )
       ( resid  57 and name CB  ) -2.25 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  58 and name CA  )
       ( resid  58 and name CB  ) -4.60 0.30
#
# Carbonyl chemical shift anisotropy constraints
#
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   1 and name N  )
       ( resid   0 and name C  )
       ( resid   0 and name O  ) 73.333 73.333 40 39.11 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   2 and name N  )
       ( resid   1 and name C  )
       ( resid   1 and name O  ) 73.333 73.333 40 -20.84 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   3 and name N  )
       ( resid   2 and name C  )
       ( resid   2 and name O  ) 73.333 73.333 40 -35.70 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   4 and name N  )
       ( resid   3 and name C  )
       ( resid   3 and name O  ) 73.333 73.333 40  9.12 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   5 and name N  )
       ( resid   4 and name C  )
       ( resid   4 and name O  ) 73.333 73.333 40 -71.60 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   6 and name N  )
       ( resid   5 and name C  )
       ( resid   5 and name O  ) 73.333 73.333 40 14.86 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   7 and name N  )
       ( resid   6 and name C  )
       ( resid   6 and name O  ) 73.333 73.333 40 53.11 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   8 and name N  )
       ( resid   7 and name C  )
       ( resid   7 and name O  ) 73.333 73.333 40 -16.46 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   9 and name N  )
       ( resid   8 and name C  )
       ( resid   8 and name O  ) 73.333 73.333 40 39.64 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  10 and name N  )
       ( resid   9 and name C  )
       ( resid   9 and name O  ) 73.333 73.333 40 -58.15 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  11 and name N  )
       ( resid  10 and name C  )
       ( resid  10 and name O  ) 73.333 73.333 40 12.04 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  12 and name N  )
       ( resid  11 and name C  )
       ( resid  11 and name O  ) 73.333 73.333 40  2.05 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  13 and name N  )
       ( resid  12 and name C  )
       ( resid  12 and name O  ) 73.333 73.333 40 -18.69 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  14 and name N  )
       ( resid  13 and name C  )
       ( resid  13 and name O  ) 73.333 73.333 40 31.08 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  15 and name N  )
       ( resid  14 and name C  )
       ( resid  14 and name O  ) 73.333 73.333 40 23.72 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  16 and name N  )
       ( resid  15 and name C  )
       ( resid  15 and name O  ) 73.333 73.333 40 47.93 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  17 and name N  )
       ( resid  16 and name C  )
       ( resid  16 and name O  ) 73.333 73.333 40 -60.40 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  18 and name N  )
       ( resid  17 and name C  )
       ( resid  17 and name O  ) 73.333 73.333 40 17.35 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  19 and name N  )
       ( resid  18 and name C  )
       ( resid  18 and name O  ) 73.333 73.333 40 -29.43 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  20 and name N  )
       ( resid  19 and name C  )
       ( resid  19 and name O  ) 73.333 73.333 40 11.52 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  21 and name N  )
       ( resid  20 and name C  )
       ( resid  20 and name O  ) 73.333 73.333 40 20.03 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  22 and name N  )
       ( resid  21 and name C  )
       ( resid  21 and name O  ) 73.333 73.333 40 -11.74 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  23 and name N  )
       ( resid  22 and name C  )
       ( resid  22 and name O  ) 73.333 73.333 40 -51.08 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  25 and name N  )
       ( resid  24 and name C  )
       ( resid  24 and name O  ) 73.333 73.333 40 -17.67 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  26 and name N  )
       ( resid  25 and name C  )
       ( resid  25 and name O  ) 73.333 73.333 40 29.49 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  27 and name N  )
       ( resid  26 and name C  )
       ( resid  26 and name O  ) 73.333 73.333 40  5.53 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  28 and name N  )
       ( resid  27 and name C  )
       ( resid  27 and name O  ) 73.333 73.333 40 -47.32 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  29 and name N  )
       ( resid  28 and name C  )
       ( resid  28 and name O  ) 73.333 73.333 40 -31.22 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  30 and name N  )
       ( resid  29 and name C  )
       ( resid  29 and name O  ) 73.333 73.333 40 -16.38 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  31 and name N  )
       ( resid  30 and name C  )
       ( resid  30 and name O  ) 73.333 73.333 40 23.29 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  32 and name N  )
       ( resid  31 and name C  )
       ( resid  31 and name O  ) 73.333 73.333 40 -34.16 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  33 and name N  )
       ( resid  32 and name C  )
       ( resid  32 and name O  ) 73.333 73.333 40 10.52 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  34 and name N  )
       ( resid  33 and name C  )
       ( resid  33 and name O  ) 73.333 73.333 40 20.01 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  35 and name N  )
       ( resid  34 and name C  )
       ( resid  34 and name O  ) 73.333 73.333 40 -45.17 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  36 and name N  )
       ( resid  35 and name C  )
       ( resid  35 and name O  ) 73.333 73.333 40 -43.93 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  37 and name N  )
       ( resid  36 and name C  )
       ( resid  36 and name O  ) 73.333 73.333 40 -54.56 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  38 and name N  )
       ( resid  37 and name C  )
       ( resid  37 and name O  ) 73.333 73.333 40 34.57 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  39 and name N  )
       ( resid  38 and name C  )
       ( resid  38 and name O  ) 73.333 73.333 40 -3.26 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  40 and name N  )
       ( resid  39 and name C  )
       ( resid  39 and name O  ) 73.333 73.333 40 42.76 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  41 and name N  )
       ( resid  40 and name C  )
       ( resid  40 and name O  ) 73.333 73.333 40 15.20 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  43 and name N  )
       ( resid  42 and name C  )
       ( resid  42 and name O  ) 73.333 73.333 40 -21.45 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  44 and name N  )
       ( resid  43 and name C  )
       ( resid  43 and name O  ) 73.333 73.333 40 -0.97 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  45 and name N  )
       ( resid  44 and name C  )
       ( resid  44 and name O  ) 73.333 73.333 40 14.67 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  46 and name N  )
       ( resid  45 and name C  )
       ( resid  45 and name O  ) 73.333 73.333 40 -12.35 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  47 and name N  )
       ( resid  46 and name C  )
       ( resid  46 and name O  ) 73.333 73.333 40 -9.91 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  49 and name N  )
       ( resid  48 and name C  )
       ( resid  48 and name O  ) 73.333 73.333 40 70.92 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  50 and name N  )
       ( resid  49 and name C  )
       ( resid  49 and name O  ) 73.333 73.333 40 -39.03 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  51 and name N  )
       ( resid  50 and name C  )
       ( resid  50 and name O  ) 73.333 73.333 40 -20.93 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  52 and name N  )
       ( resid  51 and name C  )
       ( resid  51 and name O  ) 73.333 73.333 40 -2.35 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  53 and name N  )
       ( resid  52 and name C  )
       ( resid  52 and name O  ) 73.333 73.333 40 60.78 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  54 and name N  )
       ( resid  53 and name C  )
       ( resid  53 and name O  ) 73.333 73.333 40 -46.48 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  55 and name N  )
       ( resid  54 and name C  )
       ( resid  54 and name O  ) 73.333 73.333 40 -8.85 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  56 and name N  )
       ( resid  55 and name C  )
       ( resid  55 and name O  ) 73.333 73.333 40 12.52 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  57 and name N  )
       ( resid  56 and name C  )
       ( resid  56 and name O  ) 73.333 73.333 40 -16.45 10

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  58 and name N  )
       ( resid  57 and name C  )
       ( resid  57 and name O  ) 73.333 73.333 40 22.51 10

#
# Hydrogen bond constraints
#
assign (resid 4 and name o ) (resid 54 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 4 and name o ) (resid 54 and name n  ) 2.8 0.4 0.5

assign (resid 54 and name o ) (resid 4 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 54 and name o ) (resid 4 and name n  ) 2.8 0.4 0.5

assign (resid 3 and name o ) (resid 25 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 3 and name o ) (resid 25 and name n  ) 2.8 0.4 0.5

assign (resid 25 and name o ) (resid 3 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 25 and name o ) (resid 3 and name n  ) 2.8 0.4 0.5

assign (resid 5 and name o ) (resid 22 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 5 and name o ) (resid 22 and name n  ) 2.8 0.4 0.5 ! 

assign (resid 52 and name o ) (resid 6 and name hn ) 1.8 0.3 0.5
assign (resid 52 and name o ) (resid 6 and name n )  2.8 0.4 0.5 ! 

assign (resid 9 and name o ) (resid 19 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 9 and name o ) (resid 19 and name n  ) 2.8 0.4 0.5 ! 

assign (resid 19 and name o ) (resid 9 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 19 and name o ) (resid 9 and name n  ) 2.8 0.4 0.5 ! 

assign (resid 20 and name o ) (resid 23 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 20 and name o ) (resid 23 and name n  ) 2.8 0.4 0.5 ! 

assign (resid 26 and name o ) (resid 40 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 26 and name o ) (resid 40 and name n  ) 2.8 0.4 0.5

assign (resid 40 and name o ) (resid 26 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 40 and name o ) (resid 26 and name n  ) 2.8 0.4 0.5

assign (resid 35 and name o ) (resid 50 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 35 and name o ) (resid 50 and name n  ) 2.8 0.4 0.5

assign (resid 37 and name o ) (resid 48 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 37 and name o ) (resid 48 and name n  ) 2.8 0.4 0.5

assign (resid 48 and name o ) (resid 37 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 48 and name o ) (resid 37 and name n  ) 2.8 0.4 0.5

assign (resid 38 and name o ) (resid 28 and name hn ) 1.8 0.3 0.5 !! this is a maybe
assign (resid 38 and name o ) (resid 28 and name n  ) 2.8 0.4 0.5 !! based on other structs

assign (resid 39 and name o ) (resid 46 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 39 and name o ) (resid 46 and name n  ) 2.8 0.4 0.5

assign (resid 46 and name o ) (resid 39 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 46 and name o ) (resid 39 and name n  ) 2.8 0.4 0.5

assign (resid 41 and name o ) (resid 44 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 41 and name o ) (resid 44 and name n  ) 2.8 0.4 0.5

assign (resid 44 and name o ) (resid 41 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 44 and name o ) (resid 41 and name n  ) 2.8 0.4 0.5

assign (resid 47 and name o ) (resid 17 and name hn ) 1.8 0.3 0.5 ! 
assign (resid 47 and name o ) (resid 17 and name n  ) 2.8 0.4 0.5


#
# backbone dihedral angle constraints 
#
assign ( resid 1 and name C) ( resid 2 and name N)
       ( resid 2 and name CA) ( resid 2 and name C) 1.0 -136.00  32.00 2
 assign ( resid 2 and name N) ( resid 2 and name CA)
       ( resid 2 and name C) ( resid 3 and name N) 1.0 151.00  28.00 2

assign ( resid 2 and name C) ( resid 3 and name N)
       ( resid 3 and name CA) ( resid 3 and name C) 1.0 -141.00  38.00 2
 assign ( resid 3 and name N) ( resid 3 and name CA)
       ( resid 3 and name C) ( resid 4 and name N) 1.0 146.00  38.00 2

assign ( resid 3 and name C) ( resid 4 and name N)
       ( resid 4 and name CA) ( resid 4 and name C) 1.0 -127.00  38.00 2
 assign ( resid 4 and name N) ( resid 4 and name CA)
       ( resid 4 and name C) ( resid 5 and name N) 1.0 131.00  28.00 2

assign ( resid 4 and name C) ( resid 5 and name N)
       ( resid 5 and name CA) ( resid 5 and name C) 1.0 -109.00  62.00 2
 assign ( resid 5 and name N) ( resid 5 and name CA)
       ( resid 5 and name C) ( resid 6 and name N) 1.0 133.00  30.00 2

assign ( resid 5 and name C) ( resid 6 and name N)
       ( resid 6 and name CA) ( resid 6 and name C) 1.0 -92.00  36.00 2
 assign ( resid 6 and name N) ( resid 6 and name CA)
       ( resid 6 and name C) ( resid 7 and name N) 1.0 138.00  30.00 2

assign ( resid 6 and name C) ( resid 7 and name N)
       ( resid 7 and name CA) ( resid 7 and name C) 1.0 -126.00  30.00 2
 assign ( resid 7 and name N) ( resid 7 and name CA)
       ( resid 7 and name C) ( resid 8 and name N) 1.0 140.00  28.00 2

assign ( resid 7 and name C) ( resid 8 and name N)
       ( resid 8 and name CA) ( resid 8 and name C) 1.0 -86.00  32.00 2
 assign ( resid 8 and name N) ( resid 8 and name CA)
       ( resid 8 and name C) ( resid 9 and name N) 1.0 129.00  26.00 2

assign ( resid 8 and name C) ( resid 9 and name N)
       ( resid 9 and name CA) ( resid 9 and name C) 1.0 -127.00  38.00 2
 assign ( resid 9 and name N) ( resid 9 and name CA)
       ( resid 9 and name C) ( resid 10 and name N) 1.0 136.00  22.00 2

assign ( resid 10 and name C) ( resid 11 and name N)
       ( resid 11 and name CA) ( resid 11 and name C) 1.0 -105.00  82.00 2
 assign ( resid 11 and name N) ( resid 11 and name CA)
       ( resid 11 and name C) ( resid 12 and name N) 1.0 150.00  20.00 2

assign ( resid 12 and name C) ( resid 13 and name N)
       ( resid 13 and name CA) ( resid 13 and name C) 1.0 -121.00  68.00 2
 assign ( resid 13 and name N) ( resid 13 and name CA)
       ( resid 13 and name C) ( resid 14 and name N) 1.0 163.00  46.00 2

assign ( resid 16 and name C) ( resid 17 and name N)
       ( resid 17 and name CA) ( resid 17 and name C) 1.0 -129.00  50.00 2
 assign ( resid 17 and name N) ( resid 17 and name CA)
       ( resid 17 and name C) ( resid 18 and name N) 1.0 144.00  26.00 2

assign ( resid 19 and name C) ( resid 20 and name N)
       ( resid 20 and name CA) ( resid 20 and name C) 1.0 -123.00  42.00 2
 assign ( resid 20 and name N) ( resid 20 and name CA)
       ( resid 20 and name C) ( resid 21 and name N) 1.0 156.00  30.00 2

assign ( resid 24 and name C) ( resid 25 and name N)
       ( resid 25 and name CA) ( resid 25 and name C) 1.0 -107.00  30.00 2
 assign ( resid 25 and name N) ( resid 25 and name CA)
       ( resid 25 and name C) ( resid 26 and name N) 1.0 134.00  30.00 2

assign ( resid 25 and name C) ( resid 26 and name N)
       ( resid 26 and name CA) ( resid 26 and name C) 1.0 -89.00  20.00 2
 assign ( resid 26 and name N) ( resid 26 and name CA)
       ( resid 26 and name C) ( resid 27 and name N) 1.0 117.00  16.00 2

assign ( resid 28 and name C) ( resid 29 and name N)
       ( resid 29 and name CA) ( resid 29 and name C) 1.0 -119.00  32.00 2
 assign ( resid 29 and name N) ( resid 29 and name CA)
       ( resid 29 and name C) ( resid 30 and name N) 1.0 148.00  30.00 2

assign ( resid 29 and name C) ( resid 30 and name N)
       ( resid 30 and name CA) ( resid 30 and name C) 1.0 -91.00  28.00 2
 assign ( resid 30 and name N) ( resid 30 and name CA)
       ( resid 30 and name C) ( resid 31 and name N) 1.0 138.00  30.00 2

assign ( resid 31 and name C) ( resid 32 and name N)
       ( resid 32 and name CA) ( resid 32 and name C) 1.0 -64.00  16.00 2
 assign ( resid 32 and name N) ( resid 32 and name CA)
       ( resid 32 and name C) ( resid 33 and name N) 1.0 -23.00  20.00 2

assign ( resid 35 and name C) ( resid 36 and name N)
       ( resid 36 and name CA) ( resid 36 and name C) 1.0 -107.00  38.00 2
 assign ( resid 36 and name N) ( resid 36 and name CA)
       ( resid 36 and name C) ( resid 37 and name N) 1.0 146.00  38.00 2

assign ( resid 36 and name C) ( resid 37 and name N)
       ( resid 37 and name CA) ( resid 37 and name C) 1.0 -123.00  32.00 2
 assign ( resid 37 and name N) ( resid 37 and name CA)
       ( resid 37 and name C) ( resid 38 and name N) 1.0 126.00  26.00 2

assign ( resid 38 and name C) ( resid 39 and name N)
       ( resid 39 and name CA) ( resid 39 and name C) 1.0 -139.00  30.00 2
 assign ( resid 39 and name N) ( resid 39 and name CA)
       ( resid 39 and name C) ( resid 40 and name N) 1.0 152.00  18.00 2

assign ( resid 39 and name C) ( resid 40 and name N)
       ( resid 40 and name CA) ( resid 40 and name C) 1.0 -126.00  38.00 2
 assign ( resid 40 and name N) ( resid 40 and name CA)
       ( resid 40 and name C) ( resid 41 and name N) 1.0 134.00  36.00 2

assign ( resid 40 and name C) ( resid 41 and name N)
       ( resid 41 and name CA) ( resid 41 and name C) 1.0 -106.00  68.00 2
 assign ( resid 41 and name N) ( resid 41 and name CA)
       ( resid 41 and name C) ( resid 42 and name N) 1.0 122.00  24.00 2

assign ( resid 49 and name C) ( resid 50 and name N)
       ( resid 50 and name CA) ( resid 50 and name C) 1.0 -71.00  18.00 2
 assign ( resid 50 and name N) ( resid 50 and name CA)
       ( resid 50 and name C) ( resid 51 and name N) 1.0 -22.00  22.00 2

assign ( resid 50 and name C) ( resid 51 and name N)
       ( resid 51 and name CA) ( resid 51 and name C) 1.0 -78.00  36.00 2
 assign ( resid 51 and name N) ( resid 51 and name CA)
       ( resid 51 and name C) ( resid 52 and name N) 1.0 -22.00  40.00 2

assign ( resid 44 and name C) ( resid 45 and name N)
       ( resid 45 and name CA) ( resid 45 and name C) 1.0 -134.00  46.00 2
 assign ( resid 45 and name N) ( resid 45 and name CA)
       ( resid 45 and name C) ( resid 46 and name N) 1.0 147.00  42.00 2

assign ( resid 52 and name C) ( resid 53 and name N)
       ( resid 53 and name CA) ( resid 53 and name C) 1.0 -128.00  34.00 2
 assign ( resid 53 and name N) ( resid 53 and name CA)
       ( resid 53 and name C) ( resid 54 and name N) 1.0 141.00  22.00 2

assign ( resid 53 and name C) ( resid 54 and name N)
       ( resid 54 and name CA) ( resid 54 and name C) 1.0 -127.00  34.00 2
 assign ( resid 54 and name N) ( resid 54 and name CA)
       ( resid 54 and name C) ( resid 55 and name N) 1.0 127.00  36.00 2

assign ( resid 54 and name C) ( resid 55 and name N)
       ( resid 55 and name CA) ( resid 55 and name C) 1.0 -80.00  30.00 2
 assign ( resid 55 and name N) ( resid 55 and name CA)
       ( resid 55 and name C) ( resid 56 and name N) 1.0 136.00  24.00 2

# 
#  HNHA J-couplings constraints
#
assign ( resid   1 and name C   ) ( resid   2 and name N  )
       ( resid   2 and name CA  ) ( resid   2 and name C  )      9.31   1.00
 
assign ( resid   2 and name C   ) ( resid   3 and name N  )
       ( resid   3 and name CA  ) ( resid   3 and name C  )      9.04   1.00
 
assign ( resid   3 and name C   ) ( resid   4 and name N  )
       ( resid   4 and name CA  ) ( resid   4 and name C  )      9.72   1.00
 
assign ( resid   4 and name C   ) ( resid   5 and name N  )
       ( resid   5 and name CA  ) ( resid   5 and name C  )      4.94   1.00
 
assign ( resid   5 and name C   ) ( resid   6 and name N  )
       ( resid   6 and name CA  ) ( resid   6 and name C  )      8.39   1.00
 
assign ( resid   6 and name C   ) ( resid   7 and name N  )
       ( resid   7 and name CA  ) ( resid   7 and name C  )      7.98   1.00
 
assign ( resid   7 and name C   ) ( resid   8 and name N  )
       ( resid   8 and name CA  ) ( resid   8 and name C  )      5.20   1.00
 
assign ( resid   8 and name C   ) ( resid   9 and name N  )
       ( resid   9 and name CA  ) ( resid   9 and name C  )      8.74   1.00
 
assign ( resid   9 and name C   ) ( resid  10 and name N  )
       ( resid  10 and name CA  ) ( resid  10 and name C  )      9.93   1.00
 
assign ( resid  11 and name C   ) ( resid  12 and name N  )
       ( resid  12 and name CA  ) ( resid  12 and name C  )      9.89   1.00
 
assign ( resid  12 and name C   ) ( resid  13 and name N  )
       ( resid  13 and name CA  ) ( resid  13 and name C  )      6.85   1.00
 
assign ( resid  13 and name C   ) ( resid  14 and name N  )
       ( resid  14 and name CA  ) ( resid  14 and name C  )      3.37   1.00
 
assign ( resid  14 and name C   ) ( resid  15 and name N  )
       ( resid  15 and name CA  ) ( resid  15 and name C  )      8.56   1.00
 
assign ( resid  15 and name C   ) ( resid  16 and name N  )
       ( resid  16 and name CA  ) ( resid  16 and name C  )      8.93   1.00
 
assign ( resid  16 and name C   ) ( resid  17 and name N  )
       ( resid  17 and name CA  ) ( resid  17 and name C  )      8.06   1.00
 
assign ( resid  17 and name C   ) ( resid  18 and name N  )
       ( resid  18 and name CA  ) ( resid  18 and name C  )      6.97   1.00
 
assign ( resid  18 and name C   ) ( resid  19 and name N  )
       ( resid  19 and name CA  ) ( resid  19 and name C  )      6.16   1.00
 
assign ( resid  19 and name C   ) ( resid  20 and name N  )
       ( resid  20 and name CA  ) ( resid  20 and name C  )      9.69   1.00
 
assign ( resid  21 and name C   ) ( resid  22 and name N  )
       ( resid  22 and name CA  ) ( resid  22 and name C  )      6.74   1.00
 
assign ( resid  22 and name C   ) ( resid  23 and name N  )
       ( resid  23 and name CA  ) ( resid  23 and name C  )      5.18   1.00
 
assign ( resid  23 and name C   ) ( resid  24 and name N  )
       ( resid  24 and name CA  ) ( resid  24 and name C  )      8.71   1.00
 
assign ( resid  24 and name C   ) ( resid  25 and name N  )
       ( resid  25 and name CA  ) ( resid  25 and name C  )      9.64   1.00
 
assign ( resid  25 and name C   ) ( resid  26 and name N  )
       ( resid  26 and name CA  ) ( resid  26 and name C  )      8.80   1.00
 
assign ( resid  26 and name C   ) ( resid  27 and name N  )
       ( resid  27 and name CA  ) ( resid  27 and name C  )      9.41   1.00
 
assign ( resid  27 and name C   ) ( resid  28 and name N  )
       ( resid  28 and name CA  ) ( resid  28 and name C  )      9.23   1.00
 
assign ( resid  28 and name C   ) ( resid  29 and name N  )
       ( resid  29 and name CA  ) ( resid  29 and name C  )      7.01   1.00
 
assign ( resid  29 and name C   ) ( resid  30 and name N  )
       ( resid  30 and name CA  ) ( resid  30 and name C  )      8.98   1.00
 
assign ( resid  30 and name C   ) ( resid  31 and name N  )
       ( resid  31 and name CA  ) ( resid  31 and name C  )      8.09   1.00
 
assign ( resid  31 and name C   ) ( resid  32 and name N  )
       ( resid  32 and name CA  ) ( resid  32 and name C  )      5.04   1.00
 
assign ( resid  32 and name C   ) ( resid  33 and name N  )
       ( resid  33 and name CA  ) ( resid  33 and name C  )      8.29   1.00
 
assign ( resid  33 and name C   ) ( resid  34 and name N  )
       ( resid  34 and name CA  ) ( resid  34 and name C  )      6.68   1.00
 
assign ( resid  34 and name C   ) ( resid  35 and name N  )
       ( resid  35 and name CA  ) ( resid  35 and name C  )      8.61   1.00
 
assign ( resid  35 and name C   ) ( resid  36 and name N  )
       ( resid  36 and name CA  ) ( resid  36 and name C  )      9.21   1.00
 
assign ( resid  36 and name C   ) ( resid  37 and name N  )
       ( resid  37 and name CA  ) ( resid  37 and name C  )      9.67   1.00
 
assign ( resid  37 and name C   ) ( resid  38 and name N  )
       ( resid  38 and name CA  ) ( resid  38 and name C  )      8.94   1.00
 
assign ( resid  38 and name C   ) ( resid  39 and name N  )
       ( resid  39 and name CA  ) ( resid  39 and name C  )      9.64   1.00
 
assign ( resid  39 and name C   ) ( resid  40 and name N  )
       ( resid  40 and name CA  ) ( resid  40 and name C  )      9.25   1.00
 
assign ( resid  40 and name C   ) ( resid  41 and name N  )
       ( resid  41 and name CA  ) ( resid  41 and name C  )      8.01   1.00
 
assign ( resid  41 and name C   ) ( resid  42 and name N  )
       ( resid  42 and name CA  ) ( resid  42 and name C  )      6.58   1.00
 
assign ( resid  43 and name C   ) ( resid  44 and name N  )
       ( resid  44 and name CA  ) ( resid  44 and name C  )      9.69   1.00
 
assign ( resid  44 and name C   ) ( resid  45 and name N  )
       ( resid  45 and name CA  ) ( resid  45 and name C  )      9.30   1.00
 
assign ( resid  47 and name C   ) ( resid  48 and name N  )
       ( resid  48 and name CA  ) ( resid  48 and name C  )      9.54   1.00
 
assign ( resid  49 and name C   ) ( resid  50 and name N  )
       ( resid  50 and name CA  ) ( resid  50 and name C  )      3.11   1.00
 
assign ( resid  50 and name C   ) ( resid  51 and name N  )
       ( resid  51 and name CA  ) ( resid  51 and name C  )      6.36   1.00
 
assign ( resid  51 and name C   ) ( resid  52 and name N  )
       ( resid  52 and name CA  ) ( resid  52 and name C  )      8.76   1.00
 
assign ( resid  52 and name C   ) ( resid  53 and name N  )
       ( resid  53 and name CA  ) ( resid  53 and name C  )      9.68   1.00
 
assign ( resid  53 and name C   ) ( resid  54 and name N  )
       ( resid  54 and name CA  ) ( resid  54 and name C  )      9.77   1.00
 
assign ( resid  54 and name C   ) ( resid  55 and name N  )
       ( resid  55 and name CA  ) ( resid  55 and name C  )      5.68   1.00
 
assign ( resid  55 and name C   ) ( resid  56 and name N  )
       ( resid  56 and name CA  ) ( resid  56 and name C  )      7.30   1.00
 
assign ( resid  56 and name C   ) ( resid  57 and name N  )
       ( resid  57 and name CA  ) ( resid  57 and name C  )      7.45   1.00
 
assign ( resid  57 and name C   ) ( resid  58 and name N  )
       ( resid  58 and name CA  ) ( resid  58 and name C  )      7.77   1.00
 
assign ( segid C0 and resid 43 and name ha1) ( segid C0 and resid 43 and name ca)
( segid C0 and resid 43 and name n ) ( segid C0 and resid 43 and name hn)
( segid C0 and resid 43 and name ha2) ( segid C0 and resid 43 and name ca)
( segid C0 and resid 43 and name n ) ( segid C0 and resid 43 and name hn)
       5.610 0.5
       5.830 0.5
 
assign ( segid C0 and resid 46 and name ha1) ( segid C0 and resid 46 and name ca)
( segid C0 and resid 46 and name n ) ( segid C0 and resid 46 and name hn)
( segid C0 and resid 46 and name ha2) ( segid C0 and resid 46 and name ca)
( segid C0 and resid 46 and name n ) ( segid C0 and resid 46 and name hn)
       4.120 0.5
       2.520 0.5

#
#               COHA J-couplings constraints
#
assign ( resid   1 and name C   ) ( resid   2 and name N  )
       ( resid   2 and name CA  ) ( resid   2 and name C  )      2.6462 1.00
 
assign ( resid   2 and name C   ) ( resid   3 and name N  )
       ( resid   3 and name CA  ) ( resid   3 and name C  )      2.1962 1.00
 
assign ( resid   3 and name C   ) ( resid   4 and name N  )
       ( resid   4 and name CA  ) ( resid   4 and name C  )      2.2621 1.00
 
assign ( resid   5 and name C   ) ( resid   6 and name N  )
       ( resid   6 and name CA  ) ( resid   6 and name C  )      2.0938 1.00
 
assign ( resid   9 and name C   ) ( resid  10 and name N  )
       ( resid  10 and name CA  ) ( resid  10 and name C  )      2.9825 1.00
 
assign ( resid  10 and name C   ) ( resid  11 and name N  )
       ( resid  11 and name CA  ) ( resid  11 and name C  )      1.5958 1.00
                                                                                      
           
assign ( resid  11 and name C   ) ( resid  12 and name N  )
       ( resid  12 and name CA  ) ( resid  12 and name C  )      2.6621 1.00
 
assign ( resid  13 and name C   ) ( resid  14 and name N  )
       ( resid  14 and name CA  ) ( resid  14 and name C  )      1.8095 1.00
 
assign ( resid  14 and name C   ) ( resid  15 and name N  )
       ( resid  15 and name CA  ) ( resid  15 and name C  )      2.5203 1.00
 
assign ( resid  15 and name C   ) ( resid  16 and name N  )
       ( resid  16 and name CA  ) ( resid  16 and name C  )      1.8126 1.00
 
assign ( resid  16 and name C   ) ( resid  17 and name N  )
       ( resid  17 and name CA  ) ( resid  17 and name C  )      2.3401 1.00
 
assign ( resid  18 and name C   ) ( resid  19 and name N  )
       ( resid  19 and name CA  ) ( resid  19 and name C  )      1.4332 1.00
 
assign ( resid  21 and name C   ) ( resid  22 and name N  )
       ( resid  22 and name CA  ) ( resid  22 and name C  )      4.7207 1.00
 
assign ( resid  26 and name C   ) ( resid  27 and name N  )
       ( resid  27 and name CA  ) ( resid  27 and name C  )      1.8183 1.00
 
assign ( resid  27 and name C   ) ( resid  28 and name N  )
       ( resid  28 and name CA  ) ( resid  28 and name C  )      2.5793 1.00
 
assign ( resid  29 and name C   ) ( resid  30 and name N  )
       ( resid  30 and name CA  ) ( resid  30 and name C  )      2.6420 1.00
 
assign ( resid  32 and name C   ) ( resid  33 and name N  )
       ( resid  33 and name CA  ) ( resid  33 and name C  )      2.6341 1.00
 
assign ( resid  35 and name C   ) ( resid  36 and name N  )
       ( resid  36 and name CA  ) ( resid  36 and name C  )      2.2409 1.00
 
assign ( resid  37 and name C   ) ( resid  38 and name N  )
       ( resid  38 and name CA  ) ( resid  38 and name C  )      1.7217 1.00
 
assign ( resid  38 and name C   ) ( resid  39 and name N  )
       ( resid  39 and name CA  ) ( resid  39 and name C  )      2.1358 1.00
 
assign ( resid  40 and name C   ) ( resid  41 and name N  )
       ( resid  41 and name CA  ) ( resid  41 and name C  )      1.9771 1.00
 
assign ( resid  41 and name C   ) ( resid  42 and name N  )
       ( resid  42 and name CA  ) ( resid  42 and name C  )      5.5121 1.00
 
assign ( resid  43 and name C   ) ( resid  44 and name N  )
       ( resid  44 and name CA  ) ( resid  44 and name C  )      1.9366 1.00
 
assign ( resid  44 and name C   ) ( resid  45 and name N  )
       ( resid  45 and name CA  ) ( resid  45 and name C  )      2.4098 1.00
 
assign ( resid  46 and name C   ) ( resid  47 and name N  )
       ( resid  47 and name CA  ) ( resid  47 and name C  )      1.6115   1.00
                                                                                      
           
assign ( resid  47 and name C   ) ( resid  48 and name N  )
       ( resid  48 and name CA  ) ( resid  48 and name C  )      2.3431 1.00
 
assign ( resid  52 and name C   ) ( resid  53 and name N  )
       ( resid  53 and name CA  ) ( resid  53 and name C  )      2.2760 1.00
 
assign ( resid  53 and name C   ) ( resid  54 and name N  )
       ( resid  54 and name CA  ) ( resid  54 and name C  )      2.4870 1.00
 
assign ( resid  55 and name C   ) ( resid  56 and name N  )
       ( resid  56 and name CA  ) ( resid  56 and name C  )      2.3402 1.00
 
assign ( resid  56 and name C   ) ( resid  57 and name N  )
       ( resid  57 and name CA  ) ( resid  57 and name C  )      2.3499 1.00
 
assign ( segid C0 and resid 43 and name ha1) ( segid C0 and resid 43 and name ca)
( segid C0 and resid 43 and name n ) ( segid C0 and resid 43 and name hn)
( segid C0 and resid 43 and name ha2) ( segid C0 and resid 43 and name ca)
( segid C0 and resid 43 and name n ) ( segid C0 and resid 43 and name hn)
       4.3825 1.0
       2.1197 1.0
 
assign ( segid C0 and resid 46 and name ha1) ( segid C0 and resid 46 and name ca)
( segid C0 and resid 46 and name n ) ( segid C0 and resid 46 and name hn)
( segid C0 and resid 46 and name ha2) ( segid C0 and resid 46 and name ca)
( segid C0 and resid 46 and name n ) ( segid C0 and resid 46 and name hn)
       1.1771 1.0
       1.3410 1.0


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1HT       MET   1  -1.664 -11.351  -6.481
    2   2H    MET   1          2HT       MET   1  -0.594 -10.709  -7.656
    3   3H    MET   1          3HT       MET   1  -1.829  -9.724  -6.991
    4    HA   MET   1           HA       MET   1   0.235 -10.940  -5.300
    5   1HB   MET   1          2HB       MET   1   0.389  -8.340  -6.823
    6   2HB   MET   1          1HB       MET   1   1.475  -8.812  -5.525
    7   1HG   MET   1          2HG       MET   1   2.620 -10.261  -6.812
    8   2HG   MET   1          1HG       MET   1   1.206 -10.722  -7.753
    9   1HE   MET   1          1HE       MET   1   3.547 -10.430  -9.873
   10   2HE   MET   1          2HE       MET   1   4.281 -10.062  -8.313
   11   3HE   MET   1          3HE       MET   1   4.450  -8.930  -9.654
   12    H    GLU   2           H        GLU   2  -0.008 -10.408  -3.221
   13    HA   GLU   2           HA       GLU   2  -1.832  -8.192  -2.578
   14   1HB   GLU   2          2HB       GLU   2  -1.977 -10.962  -1.371
   15   2HB   GLU   2          1HB       GLU   2  -2.926  -9.573  -0.858
   16   1HG   GLU   2          2HG       GLU   2  -4.469 -10.093  -2.339
   17   2HG   GLU   2          1HG       GLU   2  -3.300  -9.815  -3.627
   18    H    ALA   3           H        ALA   3  -1.409  -7.140  -0.590
   19    HA   ALA   3           HA       ALA   3   0.849  -8.040   1.044
   20   1HB   ALA   3          1HB       ALA   3   0.892  -5.842  -0.838
   21   2HB   ALA   3          2HB       ALA   3   2.212  -6.577   0.066
   22   3HB   ALA   3          3HB       ALA   3   1.241  -5.305   0.803
   23    H    ILE   4           H        ILE   4   0.792  -7.286   3.185
   24    HA   ILE   4           HA       ILE   4  -1.677  -5.883   3.956
   25    HB   ILE   4           HB       ILE   4  -1.312  -8.150   4.965
   26   1HG1  ILE   4          2HG1      ILE   4  -1.147  -6.443   7.338
   27   2HG1  ILE   4          1HG1      ILE   4  -2.267  -5.841   6.122
   28   1HG2  ILE   4          1HG2      ILE   4   0.432  -8.655   6.381
   29   2HG2  ILE   4          2HG2      ILE   4   0.812  -6.960   6.688
   30   3HG2  ILE   4          3HG2      ILE   4   1.230  -7.690   5.138
   31   1HD1  ILE   4          1HD1      ILE   4  -2.566  -8.686   6.588
   32   2HD1  ILE   4          2HD1      ILE   4  -3.771  -7.395   6.593
   33   3HD1  ILE   4          3HD1      ILE   4  -2.816  -7.717   8.042
   34    H    ALA   5           H        ALA   5  -1.400  -4.254   5.734
   35    HA   ALA   5           HA       ALA   5   1.330  -3.191   5.885
   36   1HB   ALA   5          1HB       ALA   5   0.275  -0.886   5.535
   37   2HB   ALA   5          2HB       ALA   5  -1.120  -1.775   4.916
   38   3HB   ALA   5          3HB       ALA   5   0.436  -1.922   4.120
   39    H    LYS   6           H        LYS   6   1.671  -3.307   8.183
   40    HA   LYS   6           HA       LYS   6  -0.579  -2.103   9.692
   41   1HB   LYS   6          2HB       LYS   6   1.681  -3.574  10.991
   42   2HB   LYS   6          1HB       LYS   6   0.045  -3.316  11.586
   43   1HG   LYS   6          2HG       LYS   6  -0.304  -4.785   9.264
   44   2HG   LYS   6          1HG       LYS   6   1.133  -5.486  10.015
   45   1HD   LYS   6          2HD       LYS   6  -1.055  -4.916  11.876
   46   2HD   LYS   6          1HD       LYS   6  -1.441  -6.126  10.653
   47   1HE   LYS   6          2HE       LYS   6   0.166  -7.594  11.406
   48   2HE   LYS   6          1HE       LYS   6   1.156  -6.315  12.105
   49   1HZ   LYS   6          1HZ       LYS   6   0.216  -6.684  14.059
   50   2HZ   LYS   6          2HZ       LYS   6  -0.696  -7.946  13.398
   51   3HZ   LYS   6          3HZ       LYS   6  -1.324  -6.375  13.428
   52    H    HIS   7           H        HIS   7  -0.081  -0.046   9.318
   53    HA   HIS   7           HA       HIS   7   1.341   1.148  11.256
   54   1HB   HIS   7          2HB       HIS   7   2.839   0.873   8.720
   55   2HB   HIS   7          1HB       HIS   7   2.749   2.522   9.329
   56    HD1  HIS   7           1HD      HIS   7   2.728   0.976  12.354
   57    HD2  HIS   7           2HD      HIS   7   5.665   1.199   9.426
   58    HE1  HIS   7           1HE      HIS   7   4.885   0.515  13.538
   59    HE2  HIS   7           2HE      HIS   7   6.661   0.705  11.761
   60    H    ASP   8           H        ASP   8  -0.063   3.065  11.532
   61    HA   ASP   8           HA       ASP   8  -2.035   3.461   9.537
   62   1HB   ASP   8          2HB       ASP   8  -1.118   5.493  11.598
   63   2HB   ASP   8          1HB       ASP   8  -2.598   5.592  10.650
   64    H    PHE   9           H        PHE   9  -2.192   5.337   8.005
   65    HA   PHE   9           HA       PHE   9   0.086   7.002   7.610
   66   1HB   PHE   9          2HB       PHE   9   0.893   4.808   6.643
   67   2HB   PHE   9          1HB       PHE   9  -0.322   5.012   5.389
   68    HD1  PHE   9           1HD      PHE   9   2.570   6.719   6.968
   69    HD2  PHE   9           2HD      PHE   9   0.166   6.268   3.490
   70    HE1  PHE   9           1HE      PHE   9   4.126   8.154   5.723
   71    HE2  PHE   9           2HE      PHE   9   1.723   7.700   2.233
   72    HZ   PHE   9           HZ       PHE   9   3.705   8.648   3.348
   73    H    SER  10           H        SER  10   0.024   8.382   5.840
   74    HA   SER  10           HA       SER  10  -2.377   8.449   4.261
   75   1HB   SER  10          2HB       SER  10  -2.100  11.142   5.010
   76   2HB   SER  10          1HB       SER  10  -3.428  10.050   5.399
   77    HG   SER  10           HG       SER  10  -2.247  11.097   7.204
   78    H    ALA  11           H        ALA  11  -1.483   8.348   2.345
   79    HA   ALA  11           HA       ALA  11   0.738   8.788   1.098
   80   1HB   ALA  11          1HB       ALA  11  -2.014   9.299   0.448
   81   2HB   ALA  11          2HB       ALA  11  -0.730   8.651  -0.551
   82   3HB   ALA  11          3HB       ALA  11  -0.950  10.388  -0.431
   83    H    THR  12           H        THR  12   2.094  10.158   0.329
   84    HA   THR  12           HA       THR  12   2.148  12.847   1.467
   85    HB   THR  12           HB       THR  12   4.198  10.725   1.020
   86    HG1  THR  12           1HG      THR  12   3.395  12.461   2.977
   87   1HG2  THR  12          1HG2      THR  12   4.721  13.510   0.183
   88   2HG2  THR  12          2HG2      THR  12   5.551  12.011  -0.230
   89   3HG2  THR  12          3HG2      THR  12   5.883  12.811   1.305
   90    H    ALA  13           H        ALA  13   1.791  11.101  -1.406
   91    HA   ALA  13           HA       ALA  13   2.231  13.527  -3.040
   92   1HB   ALA  13          1HB       ALA  13   3.840  12.219  -4.021
   93   2HB   ALA  13          2HB       ALA  13   2.437  11.617  -4.903
   94   3HB   ALA  13          3HB       ALA  13   3.068  10.712  -3.527
   95    H    ASP  14           H        ASP  14   0.617  13.782  -4.788
   96    HA   ASP  14           HA       ASP  14  -1.984  13.302  -3.978
   97   1HB   ASP  14          2HB       ASP  14  -0.669  14.569  -6.155
   98   2HB   ASP  14          1HB       ASP  14  -1.910  13.518  -6.828
   99    H    ASP  15           H        ASP  15   0.037  11.523  -6.236
  100    HA   ASP  15           HA       ASP  15  -2.067   9.584  -6.777
  101   1HB   ASP  15          2HB       ASP  15  -0.154   8.502  -8.135
  102   2HB   ASP  15          1HB       ASP  15  -0.824  10.023  -8.713
  103    H    GLU  16           H        GLU  16  -0.862   9.907  -4.032
  104    HA   GLU  16           HA       GLU  16   0.290   7.229  -3.731
  105   1HB   GLU  16          2HB       GLU  16   1.671   9.152  -2.941
  106   2HB   GLU  16          1HB       GLU  16   0.397   9.577  -1.816
  107   1HG   GLU  16          2HG       GLU  16   0.767   7.644  -0.518
  108   2HG   GLU  16          1HG       GLU  16   1.714   6.885  -1.789
  109    H    LEU  17           H        LEU  17  -0.440   6.328  -1.386
  110    HA   LEU  17           HA       LEU  17  -3.350   6.808  -1.166
  111   1HB   LEU  17          2HB       LEU  17  -2.293   4.738  -2.477
  112   2HB   LEU  17          1HB       LEU  17  -2.278   4.077  -0.857
  113    HG   LEU  17           HG       LEU  17  -4.828   5.093  -1.067
  114   1HD1  LEU  17          1HD1      LEU  17  -4.692   5.516  -3.406
  115   2HD1  LEU  17          2HD1      LEU  17  -5.653   4.052  -3.191
  116   3HD1  LEU  17          3HD1      LEU  17  -3.970   3.934  -3.711
  117   1HD2  LEU  17          1HD2      LEU  17  -5.391   2.621  -1.432
  118   2HD2  LEU  17          2HD2      LEU  17  -4.454   3.046  -0.001
  119   3HD2  LEU  17          3HD2      LEU  17  -3.648   2.357  -1.409
  120    H    SER  18           H        SER  18  -4.107   6.972   0.854
  121    HA   SER  18           HA       SER  18  -2.382   6.368   3.123
  122   1HB   SER  18          2HB       SER  18  -4.021   7.512   4.475
  123   2HB   SER  18          1HB       SER  18  -3.806   8.474   3.015
  124    HG   SER  18           HG       SER  18  -5.909   6.652   3.572
  125    H    PHE  19           H        PHE  19  -3.402   5.258   5.009
  126    HA   PHE  19           HA       PHE  19  -5.551   3.478   4.671
  127   1HB   PHE  19          2HB       PHE  19  -4.251   1.333   4.718
  128   2HB   PHE  19          1HB       PHE  19  -4.106   2.219   3.203
  129    HD1  PHE  19           1HD      PHE  19  -2.382   1.561   6.417
  130    HD2  PHE  19           2HD      PHE  19  -2.009   2.812   2.367
  131    HE1  PHE  19           1HE      PHE  19   0.068   1.490   6.620
  132    HE2  PHE  19           2HE      PHE  19   0.441   2.751   2.573
  133    HZ   PHE  19           HZ       PHE  19   1.482   2.088   4.700
  134    H    ARG  20           H        ARG  20  -5.272   1.587   6.414
  135    HA   ARG  20           HA       ARG  20  -4.444   2.970   8.878
  136   1HB   ARG  20          2HB       ARG  20  -6.861   1.351   8.217
  137   2HB   ARG  20          1HB       ARG  20  -6.251   1.315   9.867
  138   1HG   ARG  20          2HG       ARG  20  -7.685   3.057  10.066
  139   2HG   ARG  20          1HG       ARG  20  -6.262   3.947   9.519
  140   1HD   ARG  20          2HD       ARG  20  -7.708   4.769   7.990
  141   2HD   ARG  20          1HD       ARG  20  -7.326   3.272   7.145
  142    HE   ARG  20           HE       ARG  20  -9.383   2.355   7.908
  143   1HH1  ARG  20          1HH1      ARG  20  -9.028   5.768   8.608
  144   2HH1  ARG  20          2HH1      ARG  20 -10.722   6.010   8.858
  145   1HH2  ARG  20          1HH2      ARG  20 -11.592   2.681   8.249
  146   2HH2  ARG  20          2HH2      ARG  20 -12.178   4.260   8.656
  147    H    LYS  21           H        LYS  21  -3.926   1.412  10.759
  148    HA   LYS  21           HA       LYS  21  -1.981  -0.460   9.898
  149   1HB   LYS  21          2HB       LYS  21  -1.609  -0.860  12.184
  150   2HB   LYS  21          1HB       LYS  21  -2.171   0.799  12.148
  151   1HG   LYS  21          2HG       LYS  21  -4.516  -0.485  12.489
  152   2HG   LYS  21          1HG       LYS  21  -3.418  -1.585  13.325
  153   1HD   LYS  21          2HD       LYS  21  -2.745   0.064  14.845
  154   2HD   LYS  21          1HD       LYS  21  -3.359   1.372  13.832
  155   1HE   LYS  21          2HE       LYS  21  -5.387   1.248  14.747
  156   2HE   LYS  21          1HE       LYS  21  -5.440  -0.503  14.563
  157   1HZ   LYS  21          1HZ       LYS  21  -3.684   0.426  16.658
  158   2HZ   LYS  21          2HZ       LYS  21  -4.827  -0.820  16.678
  159   3HZ   LYS  21          3HZ       LYS  21  -5.318   0.781  16.920
  160    H    THR  22           H        THR  22  -2.191  -2.613   9.471
  161    HA   THR  22           HA       THR  22  -2.995  -4.710   9.367
  162    HB   THR  22           HB       THR  22  -5.409  -3.819  10.930
  163    HG1  THR  22           1HG      THR  22  -3.245  -5.073  12.162
  164   1HG2  THR  22          1HG2      THR  22  -5.042  -6.262  11.776
  165   2HG2  THR  22          2HG2      THR  22  -4.233  -6.456  10.220
  166   3HG2  THR  22          3HG2      THR  22  -5.923  -5.951  10.279
  167    H    GLN  23           H        GLN  23  -4.155  -2.188   7.704
  168    HA   GLN  23           HA       GLN  23  -6.605  -3.185   6.680
  169   1HB   GLN  23          2HB       GLN  23  -4.729  -0.979   6.149
  170   2HB   GLN  23          1HB       GLN  23  -5.637  -1.524   4.743
  171   1HG   GLN  23          2HG       GLN  23  -7.067  -0.971   7.300
  172   2HG   GLN  23          1HG       GLN  23  -6.580   0.364   6.261
  173   1HE2  GLN  23          1HE2      GLN  23  -8.222   1.043   5.106
  174   2HE2  GLN  23          2HE2      GLN  23  -9.412   0.052   4.339
  175    H    ILE  24           H        ILE  24  -7.031  -4.172   4.668
  176    HA   ILE  24           HA       ILE  24  -4.874  -5.822   3.616
  177    HB   ILE  24           HB       ILE  24  -7.861  -5.734   3.173
  178   1HG1  ILE  24          2HG1      ILE  24  -6.953  -8.289   3.931
  179   2HG1  ILE  24          1HG1      ILE  24  -6.108  -7.142   4.961
  180   1HG2  ILE  24          1HG2      ILE  24  -6.801  -8.086   2.012
  181   2HG2  ILE  24          2HG2      ILE  24  -5.937  -6.714   1.331
  182   3HG2  ILE  24          3HG2      ILE  24  -7.688  -6.781   1.231
  183   1HD1  ILE  24          1HD1      ILE  24  -7.929  -7.272   6.236
  184   2HD1  ILE  24          2HD1      ILE  24  -8.912  -7.938   4.933
  185   3HD1  ILE  24          3HD1      ILE  24  -8.658  -6.196   5.044
  186    H    LEU  25           H        LEU  25  -3.583  -4.811   2.095
  187    HA   LEU  25           HA       LEU  25  -4.981  -3.059   0.195
  188   1HB   LEU  25          2HB       LEU  25  -2.012  -3.047   0.614
  189   2HB   LEU  25          1HB       LEU  25  -3.007  -1.830  -0.162
  190    HG   LEU  25           HG       LEU  25  -3.272  -2.464   2.768
  191   1HD1  LEU  25          1HD1      LEU  25  -1.287  -0.731   1.360
  192   2HD1  LEU  25          2HD1      LEU  25  -1.058  -1.818   2.733
  193   3HD1  LEU  25          3HD1      LEU  25  -1.888  -0.277   2.956
  194   1HD2  LEU  25          1HD2      LEU  25  -3.872   0.147   2.441
  195   2HD2  LEU  25          2HD2      LEU  25  -5.061  -1.153   2.368
  196   3HD2  LEU  25          3HD2      LEU  25  -4.381  -0.495   0.879
  197    H    LYS  26           H        LYS  26  -4.814  -3.253  -1.944
  198    HA   LYS  26           HA       LYS  26  -4.029  -5.828  -2.999
  199   1HB   LYS  26          2HB       LYS  26  -5.520  -3.423  -3.906
  200   2HB   LYS  26          1HB       LYS  26  -4.783  -4.416  -5.153
  201   1HG   LYS  26          2HG       LYS  26  -6.443  -5.717  -3.052
  202   2HG   LYS  26          1HG       LYS  26  -7.231  -4.856  -4.376
  203   1HD   LYS  26          2HD       LYS  26  -7.084  -6.933  -5.314
  204   2HD   LYS  26          1HD       LYS  26  -5.530  -6.273  -5.828
  205   1HE   LYS  26          2HE       LYS  26  -4.395  -7.389  -4.033
  206   2HE   LYS  26          1HE       LYS  26  -5.926  -7.908  -3.326
  207   1HZ   LYS  26          1HZ       LYS  26  -6.130  -9.584  -4.794
  208   2HZ   LYS  26          2HZ       LYS  26  -4.453  -9.435  -4.923
  209   3HZ   LYS  26          3HZ       LYS  26  -5.453  -8.714  -6.077
  210    H    ILE  27           H        ILE  27  -1.792  -5.946  -3.108
  211    HA   ILE  27           HA       ILE  27  -0.211  -3.770  -4.123
  212    HB   ILE  27           HB       ILE  27   0.318  -6.048  -2.628
  213   1HG1  ILE  27          2HG1      ILE  27   1.342  -3.754  -2.544
  214   2HG1  ILE  27          1HG1      ILE  27   2.464  -5.087  -2.301
  215   1HG2  ILE  27          1HG2      ILE  27   0.844  -6.834  -5.243
  216   2HG2  ILE  27          2HG2      ILE  27   1.370  -7.617  -3.764
  217   3HG2  ILE  27          3HG2      ILE  27   2.414  -6.442  -4.556
  218   1HD1  ILE  27          1HD1      ILE  27   2.427  -4.516  -5.064
  219   2HD1  ILE  27          2HD1      ILE  27   3.737  -4.276  -3.908
  220   3HD1  ILE  27          3HD1      ILE  27   2.573  -2.984  -4.202
  221    H    LEU  28           H        LEU  28   0.283  -3.357  -6.240
  222    HA   LEU  28           HA       LEU  28  -0.142  -5.506  -8.184
  223   1HB   LEU  28          2HB       LEU  28  -1.527  -3.975  -9.581
  224   2HB   LEU  28          1HB       LEU  28  -2.280  -4.517  -8.093
  225    HG   LEU  28           HG       LEU  28  -1.288  -2.242  -7.173
  226   1HD1  LEU  28          1HD1      LEU  28  -2.017  -1.065  -9.728
  227   2HD1  LEU  28          2HD1      LEU  28  -0.550  -2.037  -9.819
  228   3HD1  LEU  28          3HD1      LEU  28  -0.659  -0.712  -8.665
  229   1HD2  LEU  28          1HD2      LEU  28  -3.426  -1.572  -7.078
  230   2HD2  LEU  28          2HD2      LEU  28  -3.758  -3.166  -7.754
  231   3HD2  LEU  28          3HD2      LEU  28  -3.673  -1.759  -8.814
  232    H    ASN  29           H        ASN  29   1.460  -2.440  -7.461
  233    HA   ASN  29           HA       ASN  29   3.192  -3.042  -9.715
  234   1HB   ASN  29          2HB       ASN  29   1.558  -1.643 -10.806
  235   2HB   ASN  29          1HB       ASN  29   1.659  -0.449  -9.521
  236   1HD2  ASN  29          1HD2      ASN  29   3.708   0.673  -9.270
  237   2HD2  ASN  29          2HD2      ASN  29   4.633   1.012 -10.682
  238    H    MET  30           H        MET  30   4.875  -3.241  -8.877
  239    HA   MET  30           HA       MET  30   6.194  -1.238  -7.167
  240   1HB   MET  30          2HB       MET  30   7.451  -3.314  -6.317
  241   2HB   MET  30          1HB       MET  30   5.909  -2.849  -5.615
  242   1HG   MET  30          2HG       MET  30   4.979  -4.782  -6.169
  243   2HG   MET  30          1HG       MET  30   5.530  -4.650  -7.836
  244   1HE   MET  30          1HE       MET  30   5.257  -7.055  -7.611
  245   2HE   MET  30          2HE       MET  30   6.416  -8.185  -6.909
  246   3HE   MET  30          3HE       MET  30   6.805  -7.338  -8.406
  247    H    GLU  31           H        GLU  31   8.102  -0.617  -8.009
  248    HA   GLU  31           HA       GLU  31  10.103  -1.945  -8.743
  249   1HB   GLU  31          2HB       GLU  31   8.525  -3.068 -10.545
  250   2HB   GLU  31          1HB       GLU  31   9.195  -1.797 -11.544
  251   1HG   GLU  31          2HG       GLU  31  11.323  -2.638 -11.435
  252   2HG   GLU  31          1HG       GLU  31  11.027  -3.485  -9.916
  253    H    ASP  32           H        ASP  32   8.511   0.638 -10.436
  254    HA   ASP  32           HA       ASP  32  10.972   1.860 -11.234
  255   1HB   ASP  32          2HB       ASP  32   8.192   3.056 -11.053
  256   2HB   ASP  32          1HB       ASP  32   9.580   3.816 -11.829
  257    H    ASP  33           H        ASP  33   9.314   1.526  -8.387
  258    HA   ASP  33           HA       ASP  33  10.889   3.635  -7.137
  259   1HB   ASP  33          2HB       ASP  33   8.175   3.939  -7.606
  260   2HB   ASP  33          1HB       ASP  33   8.238   3.375  -5.938
  261    H    SER  34           H        SER  34  12.205   1.868  -6.373
  262    HA   SER  34           HA       SER  34  11.235  -0.404  -5.082
  263   1HB   SER  34          2HB       SER  34  13.871   1.047  -4.922
  264   2HB   SER  34          1HB       SER  34  13.569  -0.446  -4.036
  265    HG   SER  34           HG       SER  34  12.782  -0.810  -6.547
  266    H    ASN  35           H        ASN  35  10.100   2.281  -4.038
  267    HA   ASN  35           HA       ASN  35  10.499   1.594  -1.193
  268   1HB   ASN  35          2HB       ASN  35  11.916   3.561  -2.265
  269   2HB   ASN  35          1HB       ASN  35  10.436   4.459  -1.946
  270   1HD2  ASN  35          1HD2      ASN  35  13.249   4.312  -0.768
  271   2HD2  ASN  35          2HD2      ASN  35  12.970   4.248   0.936
  272    H    TRP  36           H        TRP  36   8.524   3.061  -3.672
  273    HA   TRP  36           HA       TRP  36   6.276   3.043  -1.778
  274   1HB   TRP  36          2HB       TRP  36   6.673   5.011  -4.044
  275   2HB   TRP  36          1HB       TRP  36   5.337   4.995  -2.894
  276    HD1  TRP  36           HD       TRP  36   9.078   5.820  -3.125
  277    HE1  TRP  36           1HE      TRP  36   9.730   7.295  -1.123
  278    HE3  TRP  36           3HE      TRP  36   4.677   5.650  -0.499
  279    HZ2  TRP  36           2HZ      TRP  36   8.547   8.246   1.255
  280    HZ3  TRP  36           3HZ      TRP  36   4.541   6.887   1.633
  281    HH2  TRP  36           HH       TRP  36   6.433   8.156   2.481
  282    H    TYR  37           H        TYR  37   4.822   1.553  -2.354
  283    HA   TYR  37           HA       TYR  37   4.926   0.471  -5.053
  284   1HB   TYR  37          2HB       TYR  37   3.395  -0.558  -2.665
  285   2HB   TYR  37          1HB       TYR  37   3.701  -1.411  -4.170
  286    HD1  TYR  37           1HD      TYR  37   6.702   0.025  -3.881
  287    HD2  TYR  37           2HD      TYR  37   4.311  -2.751  -1.718
  288    HE1  TYR  37           1HE      TYR  37   8.733  -0.961  -2.911
  289    HE2  TYR  37           2HE      TYR  37   6.338  -3.744  -0.742
  290    HH   TYR  37           HH       TYR  37   8.610  -3.280  -0.338
  291    H    ARG  38           H        ARG  38   3.065   0.051  -6.304
  292    HA   ARG  38           HA       ARG  38   0.945   2.026  -5.858
  293   1HB   ARG  38          2HB       ARG  38   2.257   0.984  -8.231
  294   2HB   ARG  38          1HB       ARG  38   0.523   0.740  -8.340
  295   1HG   ARG  38          2HG       ARG  38   0.065   3.013  -8.267
  296   2HG   ARG  38          1HG       ARG  38   1.634   3.396  -7.578
  297   1HD   ARG  38          2HD       ARG  38   2.599   2.527  -9.794
  298   2HD   ARG  38          1HD       ARG  38   0.952   2.679 -10.408
  299    HE   ARG  38           HE       ARG  38   1.300   5.102  -9.411
  300   1HH1  ARG  38          1HH1      ARG  38   3.486   3.187 -11.356
  301   2HH1  ARG  38          2HH1      ARG  38   4.276   4.567 -12.038
  302   1HH2  ARG  38          1HH2      ARG  38   2.342   6.907 -10.313
  303   2HH2  ARG  38          2HH2      ARG  38   3.630   6.673 -11.449
  304    H    ALA  39           H        ALA  39  -0.545   1.185  -4.587
  305    HA   ALA  39           HA       ALA  39  -1.398  -1.590  -5.047
  306   1HB   ALA  39          1HB       ALA  39  -2.410  -1.099  -2.627
  307   2HB   ALA  39          2HB       ALA  39  -1.075   0.049  -2.595
  308   3HB   ALA  39          3HB       ALA  39  -0.758  -1.665  -2.859
  309    H    GLU  40           H        GLU  40  -3.735  -1.947  -4.302
  310    HA   GLU  40           HA       GLU  40  -5.372   0.268  -5.345
  311   1HB   GLU  40          2HB       GLU  40  -5.147  -2.437  -6.296
  312   2HB   GLU  40          1HB       GLU  40  -6.791  -2.141  -5.752
  313   1HG   GLU  40          2HG       GLU  40  -6.059   0.116  -7.239
  314   2HG   GLU  40          1HG       GLU  40  -5.484  -1.278  -8.151
  315    H    LEU  41           H        LEU  41  -7.418   0.587  -4.430
  316    HA   LEU  41           HA       LEU  41  -8.308  -1.028  -2.201
  317   1HB   LEU  41          2HB       LEU  41  -6.499   0.666  -1.440
  318   2HB   LEU  41          1HB       LEU  41  -7.729   1.882  -1.713
  319    HG   LEU  41           HG       LEU  41  -9.167   0.379  -0.117
  320   1HD1  LEU  41          1HD1      LEU  41  -6.559  -0.862   0.011
  321   2HD1  LEU  41          2HD1      LEU  41  -8.099  -1.405   0.675
  322   3HD1  LEU  41          3HD1      LEU  41  -7.083  -0.293   1.594
  323   1HD2  LEU  41          1HD2      LEU  41  -7.347   1.645   1.660
  324   2HD2  LEU  41          2HD2      LEU  41  -8.928   2.207   1.115
  325   3HD2  LEU  41          3HD2      LEU  41  -7.478   2.638   0.207
  326    H    ASP  42           H        ASP  42 -10.467  -1.054  -2.266
  327    HA   ASP  42           HA       ASP  42 -12.623  -0.538  -2.773
  328   1HB   ASP  42          2HB       ASP  42 -11.374   2.065  -2.181
  329   2HB   ASP  42          1HB       ASP  42 -12.837   2.160  -3.156
  330    H    GLY  43           H        GLY  43 -11.186   2.143  -4.588
  331   1HA   GLY  43          2HA       GLY  43 -11.409   0.730  -7.108
  332   2HA   GLY  43          1HA       GLY  43 -12.580   2.025  -6.888
  333    H    LYS  44           H        LYS  44  -9.331   2.176  -5.547
  334    HA   LYS  44           HA       LYS  44  -8.595   4.167  -7.592
  335   1HB   LYS  44          2HB       LYS  44  -9.474   4.831  -5.135
  336   2HB   LYS  44          1HB       LYS  44  -7.773   4.591  -4.772
  337   1HG   LYS  44          2HG       LYS  44  -7.515   6.139  -6.925
  338   2HG   LYS  44          1HG       LYS  44  -9.100   6.689  -6.372
  339   1HD   LYS  44          2HD       LYS  44  -7.210   6.436  -4.182
  340   2HD   LYS  44          1HD       LYS  44  -6.631   7.541  -5.431
  341   1HE   LYS  44          2HE       LYS  44  -8.304   9.041  -5.073
  342   2HE   LYS  44          1HE       LYS  44  -9.461   7.804  -4.588
  343   1HZ   LYS  44          1HZ       LYS  44  -8.107   9.500  -2.926
  344   2HZ   LYS  44          2HZ       LYS  44  -7.296   8.028  -2.738
  345   3HZ   LYS  44          3HZ       LYS  44  -8.963   8.116  -2.460
  346    H    GLU  45           H        GLU  45  -6.443   4.212  -8.161
  347    HA   GLU  45           HA       GLU  45  -4.718   2.146  -6.977
  348   1HB   GLU  45          2HB       GLU  45  -4.717   1.963  -9.359
  349   2HB   GLU  45          1HB       GLU  45  -4.569   3.701  -9.569
  350   1HG   GLU  45          2HG       GLU  45  -2.320   2.660  -8.089
  351   2HG   GLU  45          1HG       GLU  45  -2.516   1.805  -9.616
  352    H    GLY  46           H        GLY  46  -2.656   2.771  -6.023
  353   1HA   GLY  46          2HA       GLY  46  -1.790   5.475  -6.131
  354   2HA   GLY  46          1HA       GLY  46  -2.724   5.207  -4.675
  355    H    LEU  47           H        LEU  47   0.150   5.841  -5.282
  356    HA   LEU  47           HA       LEU  47   1.774   3.692  -4.593
  357   1HB   LEU  47          2HB       LEU  47   2.065   6.657  -4.559
  358   2HB   LEU  47          1HB       LEU  47   3.303   5.683  -3.790
  359    HG   LEU  47           HG       LEU  47   4.060   6.139  -5.991
  360   1HD1  LEU  47          1HD1      LEU  47   3.857   3.623  -5.034
  361   2HD1  LEU  47          2HD1      LEU  47   4.703   4.052  -6.520
  362   3HD1  LEU  47          3HD1      LEU  47   3.052   3.445  -6.589
  363   1HD2  LEU  47          1HD2      LEU  47   2.101   4.902  -7.642
  364   2HD2  LEU  47          2HD2      LEU  47   2.673   6.562  -7.668
  365   3HD2  LEU  47          3HD2      LEU  47   1.314   6.116  -6.646
  366    H    ILE  48           H        ILE  48   2.757   3.157  -2.549
  367    HA   ILE  48           HA       ILE  48   1.635   4.444  -0.167
  368    HB   ILE  48           HB       ILE  48   1.115   2.254   0.879
  369   1HG1  ILE  48          2HG1      ILE  48   0.598   0.627  -1.320
  370   2HG1  ILE  48          1HG1      ILE  48   2.197   1.294  -1.640
  371   1HG2  ILE  48          1HG2      ILE  48  -1.000   2.611   0.324
  372   2HG2  ILE  48          2HG2      ILE  48  -0.717   2.129  -1.348
  373   3HG2  ILE  48          3HG2      ILE  48  -0.410   3.789  -0.843
  374   1HD1  ILE  48          1HD1      ILE  48   2.177   0.516   1.060
  375   2HD1  ILE  48          2HD1      ILE  48   3.051  -0.223  -0.283
  376   3HD1  ILE  48          3HD1      ILE  48   1.438  -0.795   0.140
  377    HA   PRO  49           HA       PRO  49   5.764   4.162   1.481
  378   1HB   PRO  49          2HB       PRO  49   4.890   3.550   4.085
  379   2HB   PRO  49          1HB       PRO  49   5.320   5.133   3.444
  380   1HG   PRO  49          2HG       PRO  49   2.641   3.880   3.744
  381   2HG   PRO  49          1HG       PRO  49   3.119   5.575   3.893
  382   1HD   PRO  49          2HD       PRO  49   1.811   4.694   1.727
  383   2HD   PRO  49          1HD       PRO  49   3.092   5.908   1.572
  384    H    SER  50           H        SER  50   7.044   2.452   1.356
  385    HA   SER  50           HA       SER  50   6.021  -0.240   1.340
  386   1HB   SER  50          2HB       SER  50   7.746  -0.220  -0.131
  387   2HB   SER  50          1HB       SER  50   8.567   1.099   0.698
  388    HG   SER  50           HG       SER  50   9.650  -0.289   1.882
  389    H    ASN  51           H        ASN  51   7.918   1.654   3.607
  390    HA   ASN  51           HA       ASN  51   8.676  -0.486   5.253
  391   1HB   ASN  51          2HB       ASN  51   8.875   2.402   5.271
  392   2HB   ASN  51          1HB       ASN  51   8.618   1.765   6.892
  393   1HD2  ASN  51          1HD2      ASN  51  10.345   1.146   7.959
  394   2HD2  ASN  51          2HD2      ASN  51  11.876   0.739   7.270
  395    H    TYR  52           H        TYR  52   5.600   0.984   4.997
  396    HA   TYR  52           HA       TYR  52   4.855   0.319   7.752
  397   1HB   TYR  52          2HB       TYR  52   3.510   1.811   5.509
  398   2HB   TYR  52          1HB       TYR  52   2.619   1.317   6.942
  399    HD1  TYR  52           1HD      TYR  52   2.115   3.687   7.370
  400    HD2  TYR  52           2HD      TYR  52   6.119   2.260   7.355
  401    HE1  TYR  52           1HE      TYR  52   2.837   5.723   8.540
  402    HE2  TYR  52           2HE      TYR  52   6.854   4.292   8.527
  403    HH   TYR  52           HH       TYR  52   4.875   7.036   8.864
  404    H    ILE  53           H        ILE  53   5.120  -1.387   4.961
  405    HA   ILE  53           HA       ILE  53   3.048  -3.214   5.858
  406    HB   ILE  53           HB       ILE  53   1.747  -3.054   4.037
  407   1HG1  ILE  53          2HG1      ILE  53   3.394  -4.416   2.739
  408   2HG1  ILE  53          1HG1      ILE  53   2.454  -3.304   1.758
  409   1HG2  ILE  53          1HG2      ILE  53   2.695  -0.595   4.398
  410   2HG2  ILE  53          2HG2      ILE  53   1.553  -0.980   3.121
  411   3HG2  ILE  53          3HG2      ILE  53   3.272  -0.860   2.756
  412   1HD1  ILE  53          1HD1      ILE  53   4.459  -2.834   0.876
  413   2HD1  ILE  53          2HD1      ILE  53   5.339  -3.354   2.312
  414   3HD1  ILE  53          3HD1      ILE  53   4.587  -1.761   2.267
  415    H    GLU  54           H        GLU  54   3.236  -5.365   4.839
  416    HA   GLU  54           HA       GLU  54   5.839  -6.124   3.732
  417   1HB   GLU  54          2HB       GLU  54   4.625  -7.201   6.276
  418   2HB   GLU  54          1HB       GLU  54   5.810  -8.105   5.345
  419   1HG   GLU  54          2HG       GLU  54   6.864  -5.521   5.711
  420   2HG   GLU  54          1HG       GLU  54   6.215  -6.037   7.266
  421    H    MET  55           H        MET  55   5.754  -8.199   2.622
  422    HA   MET  55           HA       MET  55   3.266  -8.734   1.383
  423   1HB   MET  55          2HB       MET  55   5.986  -9.928   1.291
  424   2HB   MET  55          1HB       MET  55   4.657 -10.900   0.679
  425   1HG   MET  55          2HG       MET  55   5.607  -9.722  -1.148
  426   2HG   MET  55          1HG       MET  55   4.037  -9.002  -0.802
  427   1HE   MET  55          1HE       MET  55   7.708  -8.797  -0.962
  428   2HE   MET  55          2HE       MET  55   8.090  -7.078  -0.843
  429   3HE   MET  55          3HE       MET  55   7.177  -7.684  -2.225
  430    H    LYS  56           H        LYS  56   1.626  -9.981   1.934
  431    HA   LYS  56           HA       LYS  56   1.122 -12.345   2.595
  432   1HB   LYS  56          2HB       LYS  56   1.368 -12.883   4.972
  433   2HB   LYS  56          1HB       LYS  56   2.936 -12.513   4.276
  434   1HG   LYS  56          2HG       LYS  56   2.833 -10.267   5.249
  435   2HG   LYS  56          1HG       LYS  56   1.255 -10.646   5.942
  436   1HD   LYS  56          2HD       LYS  56   2.281 -12.474   7.230
  437   2HD   LYS  56          1HD       LYS  56   3.857 -12.040   6.568
  438   1HE   LYS  56          2HE       LYS  56   4.076 -10.718   8.351
  439   2HE   LYS  56          1HE       LYS  56   2.921  -9.651   7.556
  440   1HZ   LYS  56          1HZ       LYS  56   1.705  -9.936   9.387
  441   2HZ   LYS  56          2HZ       LYS  56   2.592 -11.282   9.898
  442   3HZ   LYS  56          3HZ       LYS  56   1.334 -11.472   8.783
  443    H    ASN  57           H        ASN  57  -0.311 -10.340   1.801
  444    HA   ASN  57           HA       ASN  57  -2.048  -9.031   3.595
  445   1HB   ASN  57          2HB       ASN  57  -1.710  -8.571   1.159
  446   2HB   ASN  57          1HB       ASN  57  -2.630 -10.023   0.812
  447   1HD2  ASN  57          1HD2      ASN  57  -2.936  -6.976   0.521
  448   2HD2  ASN  57          2HD2      ASN  57  -4.564  -6.705   0.998
  449    H    HIS  58           H        HIS  58  -2.616 -11.942   1.576
  450    HA   HIS  58           HA       HIS  58  -3.939 -13.787   1.887
  451   1HB   HIS  58          2HB       HIS  58  -2.743 -13.757   4.133
  452   2HB   HIS  58          1HB       HIS  58  -4.134 -12.895   4.781
  453    HD1  HIS  58           1HD      HIS  58  -3.503 -16.163   2.925
  454    HD2  HIS  58           2HD      HIS  58  -5.972 -14.555   5.852
  455    HE1  HIS  58           1HE      HIS  58  -4.947 -18.068   3.705
  456    HE2  HIS  58           2HE      HIS  58  -6.541 -17.028   5.359
  457    H    ASP  59           H        ASP  59  -6.008 -13.145   4.383
  458    HA   ASP  59           HA       ASP  59  -8.147 -12.508   2.581
  459   1HB   ASP  59          2HB       ASP  59  -8.147 -12.862   5.589
  460   2HB   ASP  59          1HB       ASP  59  -9.583 -12.740   4.576
  Start of MODEL    2
    1   1H    MET   1          1HT       MET   1  -0.659 -11.051  -4.168
    2   2H    MET   1          2HT       MET   1  -0.244  -9.490  -4.749
    3   3H    MET   1          3HT       MET   1  -0.505 -10.778  -5.851
    4    HA   MET   1           HA       MET   1  -2.339  -9.270  -5.773
    5   1HB   MET   1          2HB       MET   1  -2.337 -12.005  -5.759
    6   2HB   MET   1          1HB       MET   1  -3.474 -11.648  -4.466
    7   1HG   MET   1          2HG       MET   1  -4.930 -11.697  -6.187
    8   2HG   MET   1          1HG       MET   1  -4.451 -10.004  -6.305
    9   1HE   MET   1          1HE       MET   1  -4.238 -13.578  -7.955
   10   2HE   MET   1          2HE       MET   1  -2.645 -13.339  -7.237
   11   3HE   MET   1          3HE       MET   1  -2.824 -13.383  -8.991
   12    H    GLU   2           H        GLU   2  -1.527 -10.604  -2.700
   13    HA   GLU   2           HA       GLU   2  -3.104  -8.467  -1.472
   14   1HB   GLU   2          2HB       GLU   2  -3.147 -11.365  -0.698
   15   2HB   GLU   2          1HB       GLU   2  -3.592 -10.100   0.438
   16   1HG   GLU   2          2HG       GLU   2  -5.467  -9.486  -0.781
   17   2HG   GLU   2          1HG       GLU   2  -4.879 -10.250  -2.257
   18    H    ALA   3           H        ALA   3  -2.244  -7.471   0.235
   19    HA   ALA   3           HA       ALA   3   0.208  -8.354   1.474
   20   1HB   ALA   3          1HB       ALA   3   1.386  -6.321   1.040
   21   2HB   ALA   3          2HB       ALA   3  -0.017  -5.640   0.216
   22   3HB   ALA   3          3HB       ALA   3   0.854  -6.997  -0.498
   23    H    ILE   4           H        ILE   4   0.487  -7.576   3.571
   24    HA   ILE   4           HA       ILE   4  -1.814  -6.054   4.599
   25    HB   ILE   4           HB       ILE   4  -1.449  -8.316   5.562
   26   1HG1  ILE   4          2HG1      ILE   4  -0.881  -6.858   7.972
   27   2HG1  ILE   4          1HG1      ILE   4  -1.906  -5.882   6.928
   28   1HG2  ILE   4          1HG2      ILE   4   1.061  -7.173   6.765
   29   2HG2  ILE   4          2HG2      ILE   4   1.035  -8.247   5.366
   30   3HG2  ILE   4          3HG2      ILE   4   0.441  -8.815   6.926
   31   1HD1  ILE   4          1HD1      ILE   4  -3.486  -7.758   6.772
   32   2HD1  ILE   4          2HD1      ILE   4  -3.261  -7.183   8.423
   33   3HD1  ILE   4          3HD1      ILE   4  -2.476  -8.670   7.893
   34    H    ALA   5           H        ALA   5  -1.342  -4.317   6.155
   35    HA   ALA   5           HA       ALA   5   1.456  -3.512   6.307
   36   1HB   ALA   5          1HB       ALA   5   1.201  -1.419   5.321
   37   2HB   ALA   5          2HB       ALA   5  -0.553  -1.464   5.472
   38   3HB   ALA   5          3HB       ALA   5   0.251  -2.476   4.277
   39    H    LYS   6           H        LYS   6   1.790  -3.257   8.478
   40    HA   LYS   6           HA       LYS   6  -0.417  -1.873   9.884
   41   1HB   LYS   6          2HB       LYS   6   0.590  -4.246  10.554
   42   2HB   LYS   6          1HB       LYS   6   1.754  -3.230  11.391
   43   1HG   LYS   6          2HG       LYS   6   0.301  -2.665  12.983
   44   2HG   LYS   6          1HG       LYS   6  -1.033  -2.484  11.842
   45   1HD   LYS   6          2HD       LYS   6  -1.837  -4.480  12.403
   46   2HD   LYS   6          1HD       LYS   6  -0.301  -5.244  12.008
   47   1HE   LYS   6          2HE       LYS   6  -0.555  -5.802  14.234
   48   2HE   LYS   6          1HE       LYS   6   0.444  -4.353  14.332
   49   1HZ   LYS   6          1HZ       LYS   6  -1.221  -4.043  15.912
   50   2HZ   LYS   6          2HZ       LYS   6  -2.442  -4.636  14.905
   51   3HZ   LYS   6          3HZ       LYS   6  -1.751  -3.126  14.595
   52    H    HIS   7           H        HIS   7   0.116   0.149   9.422
   53    HA   HIS   7           HA       HIS   7   1.593   1.413  11.293
   54   1HB   HIS   7          2HB       HIS   7   2.958   1.156   8.647
   55   2HB   HIS   7          1HB       HIS   7   3.038   2.727   9.430
   56    HD1  HIS   7           1HD      HIS   7   3.139   1.104  12.334
   57    HD2  HIS   7           2HD      HIS   7   5.774   0.940   9.125
   58    HE1  HIS   7           1HE      HIS   7   5.318   0.303  13.295
   59    HE2  HIS   7           2HE      HIS   7   6.912   0.261  11.345
   60    H    ASP   8           H        ASP   8   0.139   3.253  11.569
   61    HA   ASP   8           HA       ASP   8  -1.841   3.660   9.594
   62   1HB   ASP   8          2HB       ASP   8  -2.273   5.875  10.742
   63   2HB   ASP   8          1HB       ASP   8  -2.334   4.472  11.806
   64    H    PHE   9           H        PHE   9  -2.058   5.564   8.116
   65    HA   PHE   9           HA       PHE   9   0.169   7.286   7.735
   66   1HB   PHE   9          2HB       PHE   9   1.024   5.147   6.659
   67   2HB   PHE   9          1HB       PHE   9  -0.195   5.404   5.417
   68    HD1  PHE   9           1HD      PHE   9   2.392   7.408   7.209
   69    HD2  PHE   9           2HD      PHE   9   0.546   6.436   3.500
   70    HE1  PHE   9           1HE      PHE   9   3.914   8.955   6.054
   71    HE2  PHE   9           2HE      PHE   9   2.070   7.980   2.336
   72    HZ   PHE   9           HZ       PHE   9   3.756   9.243   3.614
   73    H    SER  10           H        SER  10   0.055   8.696   5.980
   74    HA   SER  10           HA       SER  10  -2.437   8.813   4.517
   75   1HB   SER  10          2HB       SER  10  -1.563  10.913   6.471
   76   2HB   SER  10          1HB       SER  10  -2.491  11.368   5.044
   77    HG   SER  10           HG       SER  10  -3.246   9.747   7.215
   78    H    ALA  11           H        ALA  11  -1.593   8.634   2.562
   79    HA   ALA  11           HA       ALA  11   0.612   8.969   1.246
   80   1HB   ALA  11          1HB       ALA  11  -1.985  10.298   0.519
   81   2HB   ALA  11          2HB       ALA  11  -1.421   8.701   0.033
   82   3HB   ALA  11          3HB       ALA  11  -0.626  10.148  -0.591
   83    H    THR  12           H        THR  12   1.987  10.269   0.385
   84    HA   THR  12           HA       THR  12   2.187  12.958   1.521
   85    HB   THR  12           HB       THR  12   4.093  10.763   1.121
   86    HG1  THR  12           1HG      THR  12   4.843  11.622   2.894
   87   1HG2  THR  12          1HG2      THR  12   4.937  13.496   0.137
   88   2HG2  THR  12          2HG2      THR  12   4.924  11.989  -0.779
   89   3HG2  THR  12          3HG2      THR  12   6.033  12.186   0.576
   90    H    ALA  13           H        ALA  13   1.488  11.281  -1.279
   91    HA   ALA  13           HA       ALA  13   1.810  13.701  -2.917
   92   1HB   ALA  13          1HB       ALA  13   3.287  11.371  -3.307
   93   2HB   ALA  13          2HB       ALA  13   3.029  12.652  -4.491
   94   3HB   ALA  13          3HB       ALA  13   1.967  11.244  -4.471
   95    H    ASP  14           H        ASP  14   0.026  13.920  -4.481
   96    HA   ASP  14           HA       ASP  14  -2.461  13.072  -3.543
   97   1HB   ASP  14          2HB       ASP  14  -3.252  13.719  -5.899
   98   2HB   ASP  14          1HB       ASP  14  -2.505  14.974  -4.915
   99    H    ASP  15           H        ASP  15  -0.297  11.628  -5.883
  100    HA   ASP  15           HA       ASP  15  -2.277   9.642  -6.642
  101   1HB   ASP  15          2HB       ASP  15  -0.143   8.712  -7.903
  102   2HB   ASP  15          1HB       ASP  15  -1.034  10.093  -8.528
  103    H    GLU  16           H        GLU  16  -1.074   9.872  -3.840
  104    HA   GLU  16           HA       GLU  16   0.028   7.150  -3.644
  105   1HB   GLU  16          2HB       GLU  16   0.601   9.640  -2.258
  106   2HB   GLU  16          1HB       GLU  16   0.161   8.366  -1.135
  107   1HG   GLU  16          2HG       GLU  16   2.421   8.120  -1.246
  108   2HG   GLU  16          1HG       GLU  16   1.875   6.957  -2.449
  109    H    LEU  17           H        LEU  17  -0.737   6.160  -1.365
  110    HA   LEU  17           HA       LEU  17  -3.635   6.667  -1.133
  111   1HB   LEU  17          2HB       LEU  17  -2.510   4.547  -2.432
  112   2HB   LEU  17          1HB       LEU  17  -2.716   3.891  -0.821
  113    HG   LEU  17           HG       LEU  17  -4.634   3.324  -2.166
  114   1HD1  LEU  17          1HD1      LEU  17  -4.805   4.915   0.222
  115   2HD1  LEU  17          2HD1      LEU  17  -5.750   3.518  -0.266
  116   3HD1  LEU  17          3HD1      LEU  17  -6.237   5.134  -0.777
  117   1HD2  LEU  17          1HD2      LEU  17  -4.296   5.366  -3.686
  118   2HD2  LEU  17          2HD2      LEU  17  -5.285   6.230  -2.510
  119   3HD2  LEU  17          3HD2      LEU  17  -5.946   4.834  -3.362
  120    H    SER  18           H        SER  18  -4.298   6.923   0.908
  121    HA   SER  18           HA       SER  18  -2.520   6.262   3.115
  122   1HB   SER  18          2HB       SER  18  -5.284   7.446   3.381
  123   2HB   SER  18          1HB       SER  18  -3.927   7.583   4.496
  124    HG   SER  18           HG       SER  18  -4.570   9.140   2.387
  125    H    PHE  19           H        PHE  19  -3.419   5.216   5.043
  126    HA   PHE  19           HA       PHE  19  -5.683   3.532   4.908
  127   1HB   PHE  19          2HB       PHE  19  -4.510   1.344   4.860
  128   2HB   PHE  19          1HB       PHE  19  -4.358   2.229   3.346
  129    HD1  PHE  19           1HD      PHE  19  -2.529   1.874   6.592
  130    HD2  PHE  19           2HD      PHE  19  -2.301   2.258   2.360
  131    HE1  PHE  19           1HE      PHE  19  -0.084   1.650   6.702
  132    HE2  PHE  19           2HE      PHE  19   0.144   2.034   2.471
  133    HZ   PHE  19           HZ       PHE  19   1.256   1.730   4.644
  134    H    ARG  20           H        ARG  20  -5.351   1.649   6.655
  135    HA   ARG  20           HA       ARG  20  -4.271   3.022   9.026
  136   1HB   ARG  20          2HB       ARG  20  -6.878   2.127   8.521
  137   2HB   ARG  20          1HB       ARG  20  -6.206   0.967   9.662
  138   1HG   ARG  20          2HG       ARG  20  -5.516   2.925  11.080
  139   2HG   ARG  20          1HG       ARG  20  -6.470   3.942   9.999
  140   1HD   ARG  20          2HD       ARG  20  -7.912   1.590  10.948
  141   2HD   ARG  20          1HD       ARG  20  -7.395   2.665  12.246
  142    HE   ARG  20           HE       ARG  20  -8.800   3.820   9.957
  143   1HH1  ARG  20          1HH1      ARG  20  -8.837   2.889  13.328
  144   2HH1  ARG  20          2HH1      ARG  20 -10.233   3.841  13.698
  145   1HH2  ARG  20          1HH2      ARG  20 -10.636   5.066  10.453
  146   2HH2  ARG  20          2HH2      ARG  20 -11.255   5.073  12.070
  147    H    LYS  21           H        LYS  21  -3.677   1.441  10.887
  148    HA   LYS  21           HA       LYS  21  -1.761  -0.415   9.954
  149   1HB   LYS  21          2HB       LYS  21  -2.827   0.500  12.529
  150   2HB   LYS  21          1HB       LYS  21  -2.416  -1.208  12.539
  151   1HG   LYS  21          2HG       LYS  21  -0.153  -0.759  12.007
  152   2HG   LYS  21          1HG       LYS  21  -0.507   0.919  11.611
  153   1HD   LYS  21          2HD       LYS  21   0.605   0.485  13.854
  154   2HD   LYS  21          1HD       LYS  21  -0.844   1.490  13.873
  155   1HE   LYS  21          2HE       LYS  21  -2.005  -0.002  15.089
  156   2HE   LYS  21          1HE       LYS  21  -1.362  -1.374  14.189
  157   1HZ   LYS  21          1HZ       LYS  21  -0.715  -1.297  16.574
  158   2HZ   LYS  21          2HZ       LYS  21   0.181   0.100  16.249
  159   3HZ   LYS  21          3HZ       LYS  21   0.596  -1.364  15.507
  160    H    THR  22           H        THR  22  -1.950  -2.566   9.514
  161    HA   THR  22           HA       THR  22  -2.725  -4.663   9.395
  162    HB   THR  22           HB       THR  22  -5.291  -4.239  10.760
  163    HG1  THR  22           1HG      THR  22  -3.812  -4.290  12.779
  164   1HG2  THR  22          1HG2      THR  22  -4.641  -6.474  10.411
  165   2HG2  THR  22          2HG2      THR  22  -4.375  -6.147  12.124
  166   3HG2  THR  22          3HG2      THR  22  -3.009  -6.172  11.008
  167    H    GLN  23           H        GLN  23  -4.078  -2.172   7.733
  168    HA   GLN  23           HA       GLN  23  -6.378  -3.680   6.847
  169   1HB   GLN  23          2HB       GLN  23  -6.304  -1.137   6.761
  170   2HB   GLN  23          1HB       GLN  23  -5.283  -1.321   5.342
  171   1HG   GLN  23          2HG       GLN  23  -7.011  -1.796   4.028
  172   2HG   GLN  23          1HG       GLN  23  -7.694  -2.931   5.193
  173   1HE2  GLN  23          1HE2      GLN  23  -9.186  -1.149   3.600
  174   2HE2  GLN  23          2HE2      GLN  23  -9.984  -0.033   4.650
  175    H    ILE  24           H        ILE  24  -6.692  -4.675   4.862
  176    HA   ILE  24           HA       ILE  24  -4.254  -5.799   3.756
  177    HB   ILE  24           HB       ILE  24  -5.757  -7.224   2.399
  178   1HG1  ILE  24          2HG1      ILE  24  -7.981  -5.808   3.889
  179   2HG1  ILE  24          1HG1      ILE  24  -7.631  -5.632   2.173
  180   1HG2  ILE  24          1HG2      ILE  24  -6.157  -8.682   4.101
  181   2HG2  ILE  24          2HG2      ILE  24  -6.841  -7.443   5.153
  182   3HG2  ILE  24          3HG2      ILE  24  -5.094  -7.551   4.939
  183   1HD1  ILE  24          1HD1      ILE  24  -7.998  -8.153   2.029
  184   2HD1  ILE  24          2HD1      ILE  24  -9.410  -7.121   2.253
  185   3HD1  ILE  24          3HD1      ILE  24  -8.734  -8.002   3.624
  186    H    LEU  25           H        LEU  25  -3.219  -4.826   2.151
  187    HA   LEU  25           HA       LEU  25  -4.767  -3.072   0.390
  188   1HB   LEU  25          2HB       LEU  25  -1.799  -3.118   0.882
  189   2HB   LEU  25          1HB       LEU  25  -2.651  -1.982  -0.149
  190    HG   LEU  25           HG       LEU  25  -3.205  -2.241   2.800
  191   1HD1  LEU  25          1HD1      LEU  25  -1.857   0.136   2.361
  192   2HD1  LEU  25          2HD1      LEU  25  -0.941  -1.060   1.457
  193   3HD1  LEU  25          3HD1      LEU  25  -1.234  -1.292   3.178
  194   1HD2  LEU  25          1HD2      LEU  25  -5.006  -1.120   1.949
  195   2HD2  LEU  25          2HD2      LEU  25  -4.091  -0.446   0.601
  196   3HD2  LEU  25          3HD2      LEU  25  -3.905   0.232   2.217
  197    H    LYS  26           H        LYS  26  -4.672  -3.181  -1.797
  198    HA   LYS  26           HA       LYS  26  -3.994  -5.752  -2.935
  199   1HB   LYS  26          2HB       LYS  26  -5.285  -3.226  -3.929
  200   2HB   LYS  26          1HB       LYS  26  -4.908  -4.555  -5.011
  201   1HG   LYS  26          2HG       LYS  26  -6.535  -4.978  -2.535
  202   2HG   LYS  26          1HG       LYS  26  -7.266  -4.427  -4.044
  203   1HD   LYS  26          2HD       LYS  26  -5.657  -6.562  -4.797
  204   2HD   LYS  26          1HD       LYS  26  -6.378  -7.077  -3.270
  205   1HE   LYS  26          2HE       LYS  26  -8.557  -6.080  -4.431
  206   2HE   LYS  26          1HE       LYS  26  -7.654  -6.501  -5.884
  207   1HZ   LYS  26          1HZ       LYS  26  -7.373  -8.761  -4.859
  208   2HZ   LYS  26          2HZ       LYS  26  -8.949  -8.369  -5.332
  209   3HZ   LYS  26          3HZ       LYS  26  -8.517  -8.304  -3.699
  210    H    ILE  27           H        ILE  27  -1.753  -5.908  -3.147
  211    HA   ILE  27           HA       ILE  27  -0.190  -3.740  -4.234
  212    HB   ILE  27           HB       ILE  27   0.575  -6.622  -3.777
  213   1HG1  ILE  27          2HG1      ILE  27  -0.023  -5.325  -1.732
  214   2HG1  ILE  27          1HG1      ILE  27   1.660  -5.840  -1.769
  215   1HG2  ILE  27          1HG2      ILE  27   2.811  -4.872  -3.772
  216   2HG2  ILE  27          2HG2      ILE  27   1.896  -4.588  -5.253
  217   3HG2  ILE  27          3HG2      ILE  27   2.464  -6.212  -4.862
  218   1HD1  ILE  27          1HD1      ILE  27   1.290  -3.521  -0.950
  219   2HD1  ILE  27          2HD1      ILE  27   0.741  -3.095  -2.572
  220   3HD1  ILE  27          3HD1      ILE  27   2.396  -3.649  -2.317
  221    H    LEU  28           H        LEU  28   0.289  -3.386  -6.376
  222    HA   LEU  28           HA       LEU  28  -0.126  -5.570  -8.259
  223   1HB   LEU  28          2HB       LEU  28  -1.633  -4.309  -9.679
  224   2HB   LEU  28          1HB       LEU  28  -2.317  -4.599  -8.091
  225    HG   LEU  28           HG       LEU  28  -0.928  -2.010  -8.616
  226   1HD1  LEU  28          1HD1      LEU  28  -3.820  -2.063  -9.122
  227   2HD1  LEU  28          2HD1      LEU  28  -2.823  -2.811 -10.366
  228   3HD1  LEU  28          3HD1      LEU  28  -2.544  -1.139  -9.900
  229   1HD2  LEU  28          1HD2      LEU  28  -1.864  -2.881  -6.378
  230   2HD2  LEU  28          2HD2      LEU  28  -3.438  -2.486  -7.064
  231   3HD2  LEU  28          3HD2      LEU  28  -2.219  -1.228  -6.869
  232    H    ASN  29           H        ASN  29   1.441  -2.536  -7.535
  233    HA   ASN  29           HA       ASN  29   3.129  -3.093  -9.825
  234   1HB   ASN  29          2HB       ASN  29   1.872  -1.655 -11.093
  235   2HB   ASN  29          1HB       ASN  29   1.264  -0.787  -9.693
  236   1HD2  ASN  29          1HD2      ASN  29   4.391  -1.332 -11.289
  237   2HD2  ASN  29          2HD2      ASN  29   4.862   0.328 -11.256
  238    H    MET  30           H        MET  30   4.784  -3.376  -8.947
  239    HA   MET  30           HA       MET  30   6.180  -1.415  -7.243
  240   1HB   MET  30          2HB       MET  30   7.242  -3.241  -6.090
  241   2HB   MET  30          1HB       MET  30   5.510  -3.181  -5.807
  242   1HG   MET  30          2HG       MET  30   5.235  -4.985  -7.489
  243   2HG   MET  30          1HG       MET  30   6.993  -5.097  -7.585
  244   1HE   MET  30          1HE       MET  30   6.854  -8.114  -6.204
  245   2HE   MET  30          2HE       MET  30   5.717  -7.396  -7.346
  246   3HE   MET  30          3HE       MET  30   5.134  -8.064  -5.821
  247    H    GLU  31           H        GLU  31   8.127  -0.903  -8.050
  248    HA   GLU  31           HA       GLU  31  10.067  -2.329  -8.745
  249   1HB   GLU  31          2HB       GLU  31  10.222  -2.704 -11.246
  250   2HB   GLU  31          1HB       GLU  31   9.213  -3.787 -10.302
  251   1HG   GLU  31          2HG       GLU  31   7.288  -3.053 -11.263
  252   2HG   GLU  31          1HG       GLU  31   7.902  -1.419 -11.505
  253    H    ASP  32           H        ASP  32   8.621   0.353 -10.428
  254    HA   ASP  32           HA       ASP  32  11.208   1.403 -11.137
  255   1HB   ASP  32          2HB       ASP  32   8.495   2.018 -11.847
  256   2HB   ASP  32          1HB       ASP  32   9.268   3.481 -11.244
  257    H    ASP  33           H        ASP  33   9.373   1.194  -8.407
  258    HA   ASP  33           HA       ASP  33  10.902   3.302  -7.097
  259   1HB   ASP  33          2HB       ASP  33   8.166   3.508  -7.697
  260   2HB   ASP  33          1HB       ASP  33   8.240   3.135  -5.978
  261    H    SER  34           H        SER  34  12.144   1.457  -6.311
  262    HA   SER  34           HA       SER  34  11.061  -0.753  -5.005
  263   1HB   SER  34          2HB       SER  34  13.692   0.432  -5.381
  264   2HB   SER  34          1HB       SER  34  13.537  -0.370  -3.819
  265    HG   SER  34           HG       SER  34  12.660  -2.187  -5.081
  266    H    ASN  35           H        ASN  35  10.009   1.974  -3.968
  267    HA   ASN  35           HA       ASN  35  10.404   1.270  -1.123
  268   1HB   ASN  35          2HB       ASN  35  11.636   3.422  -2.421
  269   2HB   ASN  35          1HB       ASN  35  10.341   4.118  -1.456
  270   1HD2  ASN  35          1HD2      ASN  35  12.426   1.311  -0.903
  271   2HD2  ASN  35          2HD2      ASN  35  13.075   1.873   0.596
  272    H    TRP  36           H        TRP  36   8.438   2.808  -3.564
  273    HA   TRP  36           HA       TRP  36   6.221   2.830  -1.631
  274   1HB   TRP  36          2HB       TRP  36   6.660   4.823  -3.873
  275   2HB   TRP  36          1HB       TRP  36   5.323   4.825  -2.721
  276    HD1  TRP  36           HD       TRP  36   9.177   5.170  -2.711
  277    HE1  TRP  36           1HE      TRP  36   9.852   6.658  -0.726
  278    HE3  TRP  36           3HE      TRP  36   4.560   5.895  -0.622
  279    HZ2  TRP  36           2HZ      TRP  36   8.598   7.957   1.442
  280    HZ3  TRP  36           3HZ      TRP  36   4.393   7.280   1.416
  281    HH2  TRP  36           HH       TRP  36   6.375   8.289   2.415
  282    H    TYR  37           H        TYR  37   4.702   1.393  -2.197
  283    HA   TYR  37           HA       TYR  37   4.802   0.304  -4.895
  284   1HB   TYR  37          2HB       TYR  37   3.342  -0.607  -2.413
  285   2HB   TYR  37          1HB       TYR  37   3.281  -1.441  -3.961
  286    HD1  TYR  37           1HD      TYR  37   6.049  -1.396  -4.860
  287    HD2  TYR  37           2HD      TYR  37   4.485  -1.975  -0.947
  288    HE1  TYR  37           1HE      TYR  37   8.057  -2.681  -4.254
  289    HE2  TYR  37           2HE      TYR  37   6.488  -3.259  -0.329
  290    HH   TYR  37           HH       TYR  37   8.415  -4.676  -2.205
  291    H    ARG  38           H        ARG  38   3.016   0.004  -6.217
  292    HA   ARG  38           HA       ARG  38   0.944   2.033  -5.839
  293   1HB   ARG  38          2HB       ARG  38   2.248   0.785  -8.171
  294   2HB   ARG  38          1HB       ARG  38   0.501   0.887  -8.325
  295   1HG   ARG  38          2HG       ARG  38   1.096   3.392  -7.472
  296   2HG   ARG  38          1HG       ARG  38   2.534   2.998  -8.416
  297   1HD   ARG  38          2HD       ARG  38   1.097   2.385 -10.314
  298   2HD   ARG  38          1HD       ARG  38  -0.315   2.820  -9.363
  299    HE   ARG  38           HE       ARG  38   1.418   5.013  -9.447
  300   1HH1  ARG  38          1HH1      ARG  38  -0.693   3.178 -11.535
  301   2HH1  ARG  38          2HH1      ARG  38  -1.007   4.506 -12.599
  302   1HH2  ARG  38          1HH2      ARG  38   1.007   6.768 -10.855
  303   2HH2  ARG  38          2HH2      ARG  38  -0.042   6.542 -12.216
  304    H    ALA  39           H        ALA  39  -0.501   1.164  -4.522
  305    HA   ALA  39           HA       ALA  39  -1.397  -1.580  -5.039
  306   1HB   ALA  39          1HB       ALA  39  -0.731  -1.621  -2.841
  307   2HB   ALA  39          2HB       ALA  39  -2.423  -1.167  -2.642
  308   3HB   ALA  39          3HB       ALA  39  -1.166   0.068  -2.569
  309    H    GLU  40           H        GLU  40  -3.716  -1.950  -4.362
  310    HA   GLU  40           HA       GLU  40  -5.331   0.258  -5.430
  311   1HB   GLU  40          2HB       GLU  40  -5.189  -2.539  -6.233
  312   2HB   GLU  40          1HB       GLU  40  -6.832  -2.017  -5.891
  313   1HG   GLU  40          2HG       GLU  40  -6.029   0.045  -7.391
  314   2HG   GLU  40          1HG       GLU  40  -5.000  -1.218  -8.056
  315    H    LEU  41           H        LEU  41  -7.321   0.649  -4.572
  316    HA   LEU  41           HA       LEU  41  -8.380  -0.935  -2.406
  317   1HB   LEU  41          2HB       LEU  41  -6.709   0.346  -1.218
  318   2HB   LEU  41          1HB       LEU  41  -7.240   1.829  -1.985
  319    HG   LEU  41           HG       LEU  41  -9.505   1.347  -0.804
  320   1HD1  LEU  41          1HD1      LEU  41  -9.631  -0.329   0.647
  321   2HD1  LEU  41          2HD1      LEU  41  -8.136   0.166   1.441
  322   3HD1  LEU  41          3HD1      LEU  41  -8.077  -0.895   0.034
  323   1HD2  LEU  41          1HD2      LEU  41  -8.888   3.041   0.505
  324   2HD2  LEU  41          2HD2      LEU  41  -7.290   2.888  -0.218
  325   3HD2  LEU  41          3HD2      LEU  41  -7.648   2.073   1.305
  326    H    ASP  42           H        ASP  42 -10.541  -0.782  -2.470
  327    HA   ASP  42           HA       ASP  42 -12.630  -0.122  -3.078
  328   1HB   ASP  42          2HB       ASP  42 -11.204   2.491  -2.775
  329   2HB   ASP  42          1HB       ASP  42 -12.796   2.488  -3.528
  330    H    GLY  43           H        GLY  43 -10.908   2.330  -4.968
  331   1HA   GLY  43          2HA       GLY  43 -11.063   0.781  -7.399
  332   2HA   GLY  43          1HA       GLY  43 -12.199   2.120  -7.338
  333    H    LYS  44           H        LYS  44  -8.949   2.134  -5.920
  334    HA   LYS  44           HA       LYS  44  -8.084   4.056  -7.986
  335   1HB   LYS  44          2HB       LYS  44  -7.636   4.328  -5.015
  336   2HB   LYS  44          1HB       LYS  44  -7.205   5.488  -6.264
  337   1HG   LYS  44          2HG       LYS  44 -10.049   4.670  -5.812
  338   2HG   LYS  44          1HG       LYS  44  -9.289   5.950  -4.863
  339   1HD   LYS  44          2HD       LYS  44  -8.626   6.956  -7.134
  340   2HD   LYS  44          1HD       LYS  44  -9.835   5.862  -7.813
  341   1HE   LYS  44          2HE       LYS  44 -11.557   7.068  -7.014
  342   2HE   LYS  44          1HE       LYS  44 -10.741   7.406  -5.487
  343   1HZ   LYS  44          1HZ       LYS  44 -11.161   9.377  -6.943
  344   2HZ   LYS  44          2HZ       LYS  44 -10.030   8.749  -8.033
  345   3HZ   LYS  44          3HZ       LYS  44  -9.549   9.177  -6.469
  346    H    GLU  45           H        GLU  45  -5.934   4.033  -8.488
  347    HA   GLU  45           HA       GLU  45  -4.303   1.920  -7.253
  348   1HB   GLU  45          2HB       GLU  45  -4.619   1.847  -9.739
  349   2HB   GLU  45          1HB       GLU  45  -3.833   3.413  -9.853
  350   1HG   GLU  45          2HG       GLU  45  -1.755   2.559  -9.440
  351   2HG   GLU  45          1HG       GLU  45  -2.371   1.200  -8.506
  352    H    GLY  46           H        GLY  46  -3.125   2.796  -5.552
  353   1HA   GLY  46          2HA       GLY  46  -1.745   5.336  -6.147
  354   2HA   GLY  46          1HA       GLY  46  -2.687   5.178  -4.681
  355    H    LEU  47           H        LEU  47   0.132   5.781  -5.151
  356    HA   LEU  47           HA       LEU  47   1.816   3.675  -4.480
  357   1HB   LEU  47          2HB       LEU  47   1.948   6.633  -4.390
  358   2HB   LEU  47          1HB       LEU  47   3.165   5.752  -3.488
  359    HG   LEU  47           HG       LEU  47   3.284   4.473  -5.887
  360   1HD1  LEU  47          1HD1      LEU  47   3.434   6.484  -7.505
  361   2HD1  LEU  47          2HD1      LEU  47   2.345   7.273  -6.364
  362   3HD1  LEU  47          3HD1      LEU  47   1.854   5.777  -7.160
  363   1HD2  LEU  47          1HD2      LEU  47   4.877   6.246  -4.351
  364   2HD2  LEU  47          2HD2      LEU  47   5.008   6.730  -6.041
  365   3HD2  LEU  47          3HD2      LEU  47   5.394   5.078  -5.567
  366    H    ILE  48           H        ILE  48   2.710   3.033  -2.459
  367    HA   ILE  48           HA       ILE  48   1.554   4.195  -0.040
  368    HB   ILE  48           HB       ILE  48   1.044   1.906   0.861
  369   1HG1  ILE  48          2HG1      ILE  48   0.939   1.045  -2.021
  370   2HG1  ILE  48          1HG1      ILE  48   2.377   0.780  -1.041
  371   1HG2  ILE  48          1HG2      ILE  48  -1.150   1.864  -0.072
  372   2HG2  ILE  48          2HG2      ILE  48  -0.606   2.695  -1.530
  373   3HG2  ILE  48          3HG2      ILE  48  -0.638   3.550   0.012
  374   1HD1  ILE  48          1HD1      ILE  48   1.482  -1.035  -0.165
  375   2HD1  ILE  48          2HD1      ILE  48   0.085  -0.821  -1.218
  376   3HD1  ILE  48          3HD1      ILE  48   0.089  -0.113   0.394
  377    HA   PRO  49           HA       PRO  49   5.844   4.211   1.360
  378   1HB   PRO  49          2HB       PRO  49   4.386   3.554   3.866
  379   2HB   PRO  49          1HB       PRO  49   5.637   4.758   3.567
  380   1HG   PRO  49          2HG       PRO  49   2.904   5.256   3.659
  381   2HG   PRO  49          1HG       PRO  49   4.124   6.325   2.960
  382   1HD   PRO  49          2HD       PRO  49   2.037   4.924   1.604
  383   2HD   PRO  49          1HD       PRO  49   3.306   5.913   0.874
  384    H    SER  50           H        SER  50   7.312   2.560   1.605
  385    HA   SER  50           HA       SER  50   6.497  -0.193   1.446
  386   1HB   SER  50          2HB       SER  50   8.864   1.287   0.954
  387   2HB   SER  50          1HB       SER  50   9.258   0.028   2.116
  388    HG   SER  50           HG       SER  50   9.148  -0.336  -0.386
  389    H    ASN  51           H        ASN  51   8.051   1.689   4.020
  390    HA   ASN  51           HA       ASN  51   8.488  -0.494   5.726
  391   1HB   ASN  51          2HB       ASN  51   9.295   2.075   5.659
  392   2HB   ASN  51          1HB       ASN  51   8.138   2.146   6.985
  393   1HD2  ASN  51          1HD2      ASN  51  11.238   2.018   6.533
  394   2HD2  ASN  51          2HD2      ASN  51  11.745   0.961   7.803
  395    H    TYR  52           H        TYR  52   5.536   1.141   5.125
  396    HA   TYR  52           HA       TYR  52   4.429   0.516   7.766
  397   1HB   TYR  52          2HB       TYR  52   3.292   1.946   5.355
  398   2HB   TYR  52          1HB       TYR  52   2.374   1.631   6.822
  399    HD1  TYR  52           1HD      TYR  52   1.955   3.845   7.505
  400    HD2  TYR  52           2HD      TYR  52   5.952   2.649   6.686
  401    HE1  TYR  52           1HE      TYR  52   2.782   5.949   8.475
  402    HE2  TYR  52           2HE      TYR  52   6.786   4.740   7.658
  403    HH   TYR  52           HH       TYR  52   6.240   6.730   8.519
  404    H    ILE  53           H        ILE  53   4.761  -0.913   4.716
  405    HA   ILE  53           HA       ILE  53   2.721  -2.880   5.404
  406    HB   ILE  53           HB       ILE  53   1.786  -1.459   3.669
  407   1HG1  ILE  53          2HG1      ILE  53   2.593  -3.965   2.219
  408   2HG1  ILE  53          1HG1      ILE  53   1.516  -4.027   3.604
  409   1HG2  ILE  53          1HG2      ILE  53   3.039  -1.724   1.362
  410   2HG2  ILE  53          2HG2      ILE  53   4.429  -1.864   2.439
  411   3HG2  ILE  53          3HG2      ILE  53   3.401  -0.434   2.504
  412   1HD1  ILE  53          1HD1      ILE  53   0.687  -3.772   1.068
  413   2HD1  ILE  53          2HD1      ILE  53   0.785  -2.078   1.546
  414   3HD1  ILE  53          3HD1      ILE  53  -0.220  -3.197   2.466
  415    H    GLU  54           H        GLU  54   3.025  -4.954   4.285
  416    HA   GLU  54           HA       GLU  54   5.642  -5.552   3.125
  417   1HB   GLU  54          2HB       GLU  54   4.563  -6.628   5.697
  418   2HB   GLU  54          1HB       GLU  54   5.510  -7.686   4.659
  419   1HG   GLU  54          2HG       GLU  54   6.875  -5.200   4.911
  420   2HG   GLU  54          1HG       GLU  54   6.421  -5.766   6.518
  421    H    MET  55           H        MET  55   5.621  -7.538   1.879
  422    HA   MET  55           HA       MET  55   3.199  -8.053   0.565
  423   1HB   MET  55          2HB       MET  55   5.498  -9.994   0.620
  424   2HB   MET  55          1HB       MET  55   4.348  -9.707  -0.677
  425   1HG   MET  55          2HG       MET  55   5.558  -8.047  -1.538
  426   2HG   MET  55          1HG       MET  55   5.890  -7.338   0.039
  427   1HE   MET  55          1HE       MET  55   8.941  -6.951  -0.785
  428   2HE   MET  55          2HE       MET  55   7.676  -6.977  -2.014
  429   3HE   MET  55          3HE       MET  55   9.103  -7.998  -2.196
  430    H    LYS  56           H        LYS  56   1.531  -9.297   1.054
  431    HA   LYS  56           HA       LYS  56   1.692 -11.149   3.266
  432   1HB   LYS  56          2HB       LYS  56  -0.235  -9.315   2.890
  433   2HB   LYS  56          1HB       LYS  56  -0.907 -10.605   1.904
  434   1HG   LYS  56          2HG       LYS  56  -0.111 -11.793   4.320
  435   2HG   LYS  56          1HG       LYS  56  -0.905 -10.279   4.753
  436   1HD   LYS  56          2HD       LYS  56  -2.621 -11.205   2.886
  437   2HD   LYS  56          1HD       LYS  56  -2.015 -12.729   3.537
  438   1HE   LYS  56          2HE       LYS  56  -2.587 -10.921   5.685
  439   2HE   LYS  56          1HE       LYS  56  -3.989 -11.044   4.623
  440   1HZ   LYS  56          1HZ       LYS  56  -3.441 -12.772   6.582
  441   2HZ   LYS  56          2HZ       LYS  56  -2.712 -13.561   5.275
  442   3HZ   LYS  56          3HZ       LYS  56  -4.354 -13.163   5.212
  443    H    ASN  57           H        ASN  57  -0.593 -12.623   2.250
  444    HA   ASN  57           HA       ASN  57  -0.934 -14.552   1.065
  445   1HB   ASN  57          2HB       ASN  57  -1.126 -12.506  -0.544
  446   2HB   ASN  57          1HB       ASN  57   0.331 -13.181  -1.268
  447   1HD2  ASN  57          1HD2      ASN  57  -2.982 -13.209  -1.306
  448   2HD2  ASN  57          2HD2      ASN  57  -3.235 -14.689  -2.162
  449    H    HIS  58           H        HIS  58   1.258 -14.955   2.487
  450    HA   HIS  58           HA       HIS  58   3.042 -16.433   2.620
  451   1HB   HIS  58          2HB       HIS  58   1.588 -17.697   0.987
  452   2HB   HIS  58          1HB       HIS  58   2.516 -16.964  -0.315
  453    HD1  HIS  58           1HD      HIS  58   2.617 -19.906  -0.301
  454    HD2  HIS  58           2HD      HIS  58   5.216 -17.629   2.003
  455    HE1  HIS  58           1HE      HIS  58   4.600 -21.387   0.134
  456    HE2  HIS  58           2HE      HIS  58   6.211 -19.945   1.428
  457    H    ASP  59           H        ASP  59   4.428 -16.652  -0.345
  458    HA   ASP  59           HA       ASP  59   6.164 -15.681  -1.426
  459   1HB   ASP  59          2HB       ASP  59   4.582 -13.541  -0.854
  460   2HB   ASP  59          1HB       ASP  59   6.063 -13.094  -0.012
  Start of MODEL    3
    1   1H    MET   1          1HT       MET   1   1.062  -8.798  -4.556
    2   2H    MET   1          2HT       MET   1   1.358  -8.903  -6.242
    3   3H    MET   1          3HT       MET   1   0.956 -10.313  -5.351
    4    HA   MET   1           HA       MET   1  -0.706  -8.282  -6.456
    5   1HB   MET   1          2HB       MET   1  -0.725 -11.176  -5.809
    6   2HB   MET   1          1HB       MET   1  -2.290 -10.381  -5.881
    7   1HG   MET   1          2HG       MET   1  -2.271 -10.666  -8.069
    8   2HG   MET   1          1HG       MET   1  -0.923  -9.534  -8.163
    9   1HE   MET   1          1HE       MET   1  -0.841 -13.279  -6.577
   10   2HE   MET   1          2HE       MET   1  -0.647 -14.122  -8.113
   11   3HE   MET   1          3HE       MET   1  -2.086 -13.146  -7.819
   12    H    GLU   2           H        GLU   2  -0.197  -9.723  -3.379
   13    HA   GLU   2           HA       GLU   2  -2.057  -7.799  -2.186
   14   1HB   GLU   2          2HB       GLU   2  -2.111 -10.780  -1.853
   15   2HB   GLU   2          1HB       GLU   2  -2.822  -9.692  -0.686
   16   1HG   GLU   2          2HG       GLU   2  -4.423  -8.902  -2.200
   17   2HG   GLU   2          1HG       GLU   2  -3.565  -9.595  -3.576
   18    H    ALA   3           H        ALA   3  -1.435  -6.956  -0.276
   19    HA   ALA   3           HA       ALA   3   0.780  -8.157   1.267
   20   1HB   ALA   3          1HB       ALA   3   2.194  -6.831   0.147
   21   2HB   ALA   3          2HB       ALA   3   1.580  -5.591   1.239
   22   3HB   ALA   3          3HB       ALA   3   0.921  -5.745  -0.384
   23    H    ILE   4           H        ILE   4   0.915  -7.397   3.440
   24    HA   ILE   4           HA       ILE   4  -1.494  -5.981   4.382
   25    HB   ILE   4           HB       ILE   4  -1.083  -8.194   5.412
   26   1HG1  ILE   4          2HG1      ILE   4  -0.432  -6.689   7.779
   27   2HG1  ILE   4          1HG1      ILE   4  -1.558  -5.790   6.777
   28   1HG2  ILE   4          1HG2      ILE   4   0.831  -8.718   6.678
   29   2HG2  ILE   4          2HG2      ILE   4   1.435  -7.065   6.575
   30   3HG2  ILE   4          3HG2      ILE   4   1.402  -8.084   5.137
   31   1HD1  ILE   4          1HD1      ILE   4  -2.084  -7.940   8.523
   32   2HD1  ILE   4          2HD1      ILE   4  -2.451  -8.460   6.884
   33   3HD1  ILE   4          3HD1      ILE   4  -3.216  -7.014   7.538
   34    H    ALA   5           H        ALA   5  -1.212  -4.276   5.971
   35    HA   ALA   5           HA       ALA   5   1.502  -3.193   6.069
   36   1HB   ALA   5          1HB       ALA   5   0.953  -1.283   5.015
   37   2HB   ALA   5          2HB       ALA   5  -0.571  -1.146   5.871
   38   3HB   ALA   5          3HB       ALA   5  -0.454  -2.171   4.444
   39    H    LYS   6           H        LYS   6   1.911  -3.384   8.341
   40    HA   LYS   6           HA       LYS   6  -0.292  -2.233   9.950
   41   1HB   LYS   6          2HB       LYS   6   0.303  -4.492  10.641
   42   2HB   LYS   6          1HB       LYS   6   1.999  -4.039  10.739
   43   1HG   LYS   6          2HG       LYS   6   0.644  -2.258  12.406
   44   2HG   LYS   6          1HG       LYS   6  -0.057  -3.844  12.726
   45   1HD   LYS   6          2HD       LYS   6   1.963  -4.720  13.444
   46   2HD   LYS   6          1HD       LYS   6   2.911  -3.508  12.578
   47   1HE   LYS   6          2HE       LYS   6   2.966  -2.203  14.376
   48   2HE   LYS   6          1HE       LYS   6   1.208  -2.216  14.485
   49   1HZ   LYS   6          1HZ       LYS   6   3.026  -3.427  16.200
   50   2HZ   LYS   6          2HZ       LYS   6   2.218  -4.679  15.402
   51   3HZ   LYS   6          3HZ       LYS   6   1.337  -3.514  16.254
   52    H    HIS   7           H        HIS   7   0.202  -0.165   9.511
   53    HA   HIS   7           HA       HIS   7   1.677   1.074  11.384
   54   1HB   HIS   7          2HB       HIS   7   3.095   0.736   8.798
   55   2HB   HIS   7          1HB       HIS   7   3.060   2.387   9.403
   56    HD1  HIS   7           1HD      HIS   7   3.101   0.465  12.346
   57    HD2  HIS   7           2HD      HIS   7   5.970   1.376   9.483
   58    HE1  HIS   7           1HE      HIS   7   5.314   0.083  13.470
   59    HE2  HIS   7           2HE      HIS   7   7.038   0.658  11.726
   60    H    ASP   8           H        ASP   8   0.177   2.913  11.667
   61    HA   ASP   8           HA       ASP   8  -1.778   3.285   9.658
   62   1HB   ASP   8          2HB       ASP   8  -2.230   5.524  10.803
   63   2HB   ASP   8          1HB       ASP   8  -2.376   4.096  11.822
   64    H    PHE   9           H        PHE   9  -1.997   5.187   8.177
   65    HA   PHE   9           HA       PHE   9   0.223   6.928   7.816
   66   1HB   PHE   9          2HB       PHE   9   1.188   4.855   6.793
   67   2HB   PHE   9          1HB       PHE   9  -0.087   4.926   5.577
   68    HD1  PHE   9           1HD      PHE   9   2.820   6.734   6.966
   69    HD2  PHE   9           2HD      PHE   9   0.094   6.375   3.721
   70    HE1  PHE   9           1HE      PHE   9   4.196   8.287   5.650
   71    HE2  PHE   9           2HE      PHE   9   1.471   7.925   2.400
   72    HZ   PHE   9           HZ       PHE   9   3.520   8.887   3.360
   73    H    SER  10           H        SER  10   0.092   8.344   6.022
   74    HA   SER  10           HA       SER  10  -2.405   8.387   4.551
   75   1HB   SER  10          2HB       SER  10  -1.843  10.226   6.744
   76   2HB   SER  10          1HB       SER  10  -2.201  11.059   5.231
   77    HG   SER  10           HG       SER  10  -3.863   9.694   6.887
   78    H    ALA  11           H        ALA  11  -1.643   8.328   2.577
   79    HA   ALA  11           HA       ALA  11   0.483   8.751   1.174
   80   1HB   ALA  11          1HB       ALA  11  -2.211   9.945   0.664
   81   2HB   ALA  11          2HB       ALA  11  -1.519   8.466   0.005
   82   3HB   ALA  11          3HB       ALA  11  -0.907  10.037  -0.516
   83    H    THR  12           H        THR  12   1.804  10.108   0.328
   84    HA   THR  12           HA       THR  12   1.963  12.786   1.491
   85    HB   THR  12           HB       THR  12   3.925  10.651   0.935
   86    HG1  THR  12           1HG      THR  12   3.630  12.865   2.624
   87   1HG2  THR  12          1HG2      THR  12   5.428  11.625  -0.356
   88   2HG2  THR  12          2HG2      THR  12   5.463  13.043   0.687
   89   3HG2  THR  12          3HG2      THR  12   4.332  12.967  -0.655
   90    H    ALA  13           H        ALA  13   1.057  11.202  -1.273
   91    HA   ALA  13           HA       ALA  13   1.204  13.683  -2.821
   92   1HB   ALA  13          1HB       ALA  13   3.068  12.072  -3.485
   93   2HB   ALA  13          2HB       ALA  13   2.009  12.625  -4.783
   94   3HB   ALA  13          3HB       ALA  13   1.794  11.015  -4.095
   95    H    ASP  14           H        ASP  14  -0.583  13.804  -4.393
   96    HA   ASP  14           HA       ASP  14  -3.011  12.751  -3.496
   97   1HB   ASP  14          2HB       ASP  14  -2.187  14.010  -6.099
   98   2HB   ASP  14          1HB       ASP  14  -3.820  13.393  -5.863
   99    H    ASP  15           H        ASP  15  -0.707  11.506  -5.810
  100    HA   ASP  15           HA       ASP  15  -2.546   9.441  -6.689
  101   1HB   ASP  15          2HB       ASP  15  -0.644   8.675  -8.098
  102   2HB   ASP  15          1HB       ASP  15  -1.043  10.369  -8.362
  103    H    GLU  16           H        GLU  16  -1.370   9.725  -3.830
  104    HA   GLU  16           HA       GLU  16  -0.251   7.017  -3.644
  105   1HB   GLU  16          2HB       GLU  16   0.163   9.501  -2.102
  106   2HB   GLU  16          1HB       GLU  16   0.011   8.036  -1.146
  107   1HG   GLU  16          2HG       GLU  16   1.876   7.048  -2.179
  108   2HG   GLU  16          1HG       GLU  16   1.912   8.275  -3.445
  109    H    LEU  17           H        LEU  17  -1.002   6.003  -1.391
  110    HA   LEU  17           HA       LEU  17  -3.903   6.475  -1.150
  111   1HB   LEU  17          2HB       LEU  17  -2.784   4.412  -2.510
  112   2HB   LEU  17          1HB       LEU  17  -2.900   3.708  -0.912
  113    HG   LEU  17           HG       LEU  17  -4.864   3.082  -2.102
  114   1HD1  LEU  17          1HD1      LEU  17  -5.287   5.246  -0.081
  115   2HD1  LEU  17          2HD1      LEU  17  -5.481   3.505   0.093
  116   3HD1  LEU  17          3HD1      LEU  17  -6.653   4.434  -0.842
  117   1HD2  LEU  17          1HD2      LEU  17  -4.533   5.548  -3.409
  118   2HD2  LEU  17          2HD2      LEU  17  -6.105   5.616  -2.614
  119   3HD2  LEU  17          3HD2      LEU  17  -5.741   4.305  -3.735
  120    H    SER  18           H        SER  18  -4.523   6.743   0.912
  121    HA   SER  18           HA       SER  18  -2.700   6.069   3.080
  122   1HB   SER  18          2HB       SER  18  -5.447   7.248   3.454
  123   2HB   SER  18          1HB       SER  18  -4.038   7.401   4.499
  124    HG   SER  18           HG       SER  18  -3.237   8.437   2.296
  125    H    PHE  19           H        PHE  19  -3.559   5.055   5.026
  126    HA   PHE  19           HA       PHE  19  -5.831   3.382   4.953
  127   1HB   PHE  19          2HB       PHE  19  -4.681   1.190   4.921
  128   2HB   PHE  19          1HB       PHE  19  -4.484   2.055   3.401
  129    HD1  PHE  19           1HD      PHE  19  -2.376   2.330   2.502
  130    HD2  PHE  19           2HD      PHE  19  -2.766   1.437   6.644
  131    HE1  PHE  19           1HE      PHE  19   0.066   2.085   2.678
  132    HE2  PHE  19           2HE      PHE  19  -0.326   1.188   6.823
  133    HZ   PHE  19           HZ       PHE  19   1.095   1.515   4.840
  134    H    ARG  20           H        ARG  20  -5.508   1.576   6.782
  135    HA   ARG  20           HA       ARG  20  -4.402   3.056   9.079
  136   1HB   ARG  20          2HB       ARG  20  -6.273   0.920   9.757
  137   2HB   ARG  20          1HB       ARG  20  -6.247   2.598  10.274
  138   1HG   ARG  20          2HG       ARG  20  -7.294   1.702   7.602
  139   2HG   ARG  20          1HG       ARG  20  -8.299   1.886   9.040
  140   1HD   ARG  20          2HD       ARG  20  -8.359   4.108   8.842
  141   2HD   ARG  20          1HD       ARG  20  -6.626   4.211   8.535
  142    HE   ARG  20           HE       ARG  20  -7.051   4.246   6.280
  143   1HH1  ARG  20          1HH1      ARG  20  -9.952   3.313   7.981
  144   2HH1  ARG  20          2HH1      ARG  20 -10.965   3.453   6.584
  145   1HH2  ARG  20          1HH2      ARG  20  -8.382   4.426   4.442
  146   2HH2  ARG  20          2HH2      ARG  20 -10.074   4.081   4.574
  147    H    LYS  21           H        LYS  21  -3.827   1.513  11.010
  148    HA   LYS  21           HA       LYS  21  -1.832  -0.293  10.144
  149   1HB   LYS  21          2HB       LYS  21  -2.098   0.933  12.413
  150   2HB   LYS  21          1HB       LYS  21  -3.211  -0.364  12.827
  151   1HG   LYS  21          2HG       LYS  21  -1.139  -1.823  11.998
  152   2HG   LYS  21          1HG       LYS  21  -0.278  -0.390  12.566
  153   1HD   LYS  21          2HD       LYS  21  -2.368  -1.752  14.238
  154   2HD   LYS  21          1HD       LYS  21  -0.684  -2.275  14.250
  155   1HE   LYS  21          2HE       LYS  21  -0.401   0.403  14.579
  156   2HE   LYS  21          1HE       LYS  21  -1.933   0.121  15.406
  157   1HZ   LYS  21          1HZ       LYS  21  -0.712  -0.504  17.135
  158   2HZ   LYS  21          2HZ       LYS  21   0.716  -0.544  16.230
  159   3HZ   LYS  21          3HZ       LYS  21  -0.299  -1.896  16.269
  160    H    THR  22           H        THR  22  -1.992  -2.447   9.704
  161    HA   THR  22           HA       THR  22  -2.747  -4.573   9.644
  162    HB   THR  22           HB       THR  22  -5.235  -3.722  11.100
  163    HG1  THR  22           1HG      THR  22  -2.800  -4.604  12.245
  164   1HG2  THR  22          1HG2      THR  22  -4.449  -6.198  10.107
  165   2HG2  THR  22          2HG2      THR  22  -5.730  -5.868  11.274
  166   3HG2  THR  22          3HG2      THR  22  -4.105  -6.258  11.835
  167    H    GLN  23           H        GLN  23  -3.992  -2.110   7.891
  168    HA   GLN  23           HA       GLN  23  -6.268  -3.568   6.890
  169   1HB   GLN  23          2HB       GLN  23  -5.566  -0.878   6.735
  170   2HB   GLN  23          1HB       GLN  23  -5.446  -1.468   5.083
  171   1HG   GLN  23          2HG       GLN  23  -7.815  -2.553   5.991
  172   2HG   GLN  23          1HG       GLN  23  -7.786  -0.941   6.706
  173   1HE2  GLN  23          1HE2      GLN  23  -8.641  -2.692   4.040
  174   2HE2  GLN  23          2HE2      GLN  23  -8.761  -1.411   2.888
  175    H    ILE  24           H        ILE  24  -6.524  -3.941   4.515
  176    HA   ILE  24           HA       ILE  24  -4.111  -5.301   3.544
  177    HB   ILE  24           HB       ILE  24  -6.142  -6.676   3.910
  178   1HG1  ILE  24          2HG1      ILE  24  -4.348  -7.145   2.193
  179   2HG1  ILE  24          1HG1      ILE  24  -5.879  -7.974   1.964
  180   1HG2  ILE  24          1HG2      ILE  24  -8.137  -6.000   3.254
  181   2HG2  ILE  24          2HG2      ILE  24  -7.611  -6.048   1.571
  182   3HG2  ILE  24          3HG2      ILE  24  -7.422  -4.571   2.514
  183   1HD1  ILE  24          1HD1      ILE  24  -5.812  -7.257  -0.129
  184   2HD1  ILE  24          2HD1      ILE  24  -4.449  -6.193   0.217
  185   3HD1  ILE  24          3HD1      ILE  24  -6.097  -5.629   0.486
  186    H    LEU  25           H        LEU  25  -3.035  -4.467   1.842
  187    HA   LEU  25           HA       LEU  25  -4.523  -2.608   0.118
  188   1HB   LEU  25          2HB       LEU  25  -1.538  -2.647   0.195
  189   2HB   LEU  25          1HB       LEU  25  -2.617  -1.347  -0.269
  190    HG   LEU  25           HG       LEU  25  -2.404  -2.321   2.571
  191   1HD1  LEU  25          1HD1      LEU  25  -0.448  -0.921   1.036
  192   2HD1  LEU  25          2HD1      LEU  25  -0.394  -1.398   2.729
  193   3HD1  LEU  25          3HD1      LEU  25  -1.098   0.146   2.269
  194   1HD2  LEU  25          1HD2      LEU  25  -3.345  -0.131   3.083
  195   2HD2  LEU  25          2HD2      LEU  25  -4.400  -1.025   1.988
  196   3HD2  LEU  25          3HD2      LEU  25  -3.377   0.269   1.365
  197    H    LYS  26           H        LYS  26  -4.481  -2.779  -2.056
  198    HA   LYS  26           HA       LYS  26  -3.887  -5.383  -3.155
  199   1HB   LYS  26          2HB       LYS  26  -5.151  -2.852  -4.136
  200   2HB   LYS  26          1HB       LYS  26  -4.773  -4.155  -5.248
  201   1HG   LYS  26          2HG       LYS  26  -6.214  -5.015  -2.859
  202   2HG   LYS  26          1HG       LYS  26  -7.105  -3.879  -3.877
  203   1HD   LYS  26          2HD       LYS  26  -6.025  -5.603  -5.715
  204   2HD   LYS  26          1HD       LYS  26  -6.384  -6.672  -4.357
  205   1HE   LYS  26          2HE       LYS  26  -8.511  -4.757  -4.982
  206   2HE   LYS  26          1HE       LYS  26  -8.167  -5.904  -6.278
  207   1HZ   LYS  26          1HZ       LYS  26  -8.451  -6.919  -3.541
  208   2HZ   LYS  26          2HZ       LYS  26  -8.818  -7.670  -5.011
  209   3HZ   LYS  26          3HZ       LYS  26  -9.850  -6.483  -4.387
  210    H    ILE  27           H        ILE  27  -1.649  -5.615  -3.417
  211    HA   ILE  27           HA       ILE  27  -0.069  -3.517  -4.603
  212    HB   ILE  27           HB       ILE  27   0.529  -6.322  -3.744
  213   1HG1  ILE  27          2HG1      ILE  27   2.005  -5.242  -2.196
  214   2HG1  ILE  27          1HG1      ILE  27   1.857  -3.705  -3.038
  215   1HG2  ILE  27          1HG2      ILE  27   1.919  -4.868  -5.836
  216   2HG2  ILE  27          2HG2      ILE  27   2.113  -6.536  -5.300
  217   3HG2  ILE  27          3HG2      ILE  27   2.973  -5.239  -4.474
  218   1HD1  ILE  27          1HD1      ILE  27  -0.193  -3.250  -2.132
  219   2HD1  ILE  27          2HD1      ILE  27   0.560  -4.147  -0.817
  220   3HD1  ILE  27          3HD1      ILE  27  -0.584  -4.952  -1.888
  221    H    LEU  28           H        LEU  28   0.321  -3.193  -6.721
  222    HA   LEU  28           HA       LEU  28  -0.299  -5.347  -8.611
  223   1HB   LEU  28          2HB       LEU  28  -1.530  -2.613  -8.554
  224   2HB   LEU  28          1HB       LEU  28  -1.459  -3.561 -10.028
  225    HG   LEU  28           HG       LEU  28  -2.676  -4.721  -7.550
  226   1HD1  LEU  28          1HD1      LEU  28  -3.605  -2.372  -8.777
  227   2HD1  LEU  28          2HD1      LEU  28  -4.437  -3.380  -7.594
  228   3HD1  LEU  28          3HD1      LEU  28  -4.669  -3.670  -9.317
  229   1HD2  LEU  28          1HD2      LEU  28  -2.362  -5.466 -10.325
  230   2HD2  LEU  28          2HD2      LEU  28  -4.062  -5.467  -9.850
  231   3HD2  LEU  28          3HD2      LEU  28  -2.894  -6.438  -8.952
  232    H    ASN  29           H        ASN  29   1.506  -2.408  -7.921
  233    HA   ASN  29           HA       ASN  29   3.269  -3.162 -10.098
  234   1HB   ASN  29          2HB       ASN  29   1.811  -1.682 -11.293
  235   2HB   ASN  29          1HB       ASN  29   1.880  -0.485 -10.006
  236   1HD2  ASN  29          1HD2      ASN  29   3.882   0.614  -9.651
  237   2HD2  ASN  29          2HD2      ASN  29   4.975   0.853 -10.965
  238    H    MET  30           H        MET  30   4.896  -3.458  -9.152
  239    HA   MET  30           HA       MET  30   6.252  -1.508  -7.397
  240   1HB   MET  30          2HB       MET  30   7.315  -3.579  -6.394
  241   2HB   MET  30          1HB       MET  30   5.707  -3.109  -5.865
  242   1HG   MET  30          2HG       MET  30   4.687  -4.860  -7.003
  243   2HG   MET  30          1HG       MET  30   6.088  -5.126  -8.039
  244   1HE   MET  30          1HE       MET  30   7.871  -6.243  -7.741
  245   2HE   MET  30          2HE       MET  30   7.463  -7.848  -7.137
  246   3HE   MET  30          3HE       MET  30   8.611  -6.840  -6.255
  247    H    GLU  31           H        GLU  31   8.210  -1.001  -8.151
  248    HA   GLU  31           HA       GLU  31  10.176  -2.430  -8.777
  249   1HB   GLU  31          2HB       GLU  31  10.485  -3.004 -11.112
  250   2HB   GLU  31          1HB       GLU  31   9.101  -3.824 -10.410
  251   1HG   GLU  31          2HG       GLU  31   7.681  -1.982 -11.422
  252   2HG   GLU  31          1HG       GLU  31   9.122  -1.512 -12.322
  253    H    ASP  32           H        ASP  32   8.747   0.253 -10.460
  254    HA   ASP  32           HA       ASP  32  11.345   1.320 -11.108
  255   1HB   ASP  32          2HB       ASP  32   9.974   3.424 -11.670
  256   2HB   ASP  32          1HB       ASP  32   9.702   1.998 -12.665
  257    H    ASP  33           H        ASP  33   9.468   1.043  -8.424
  258    HA   ASP  33           HA       ASP  33  10.940   3.146  -7.053
  259   1HB   ASP  33          2HB       ASP  33   8.158   3.242  -7.654
  260   2HB   ASP  33          1HB       ASP  33   8.328   3.030  -5.915
  261    H    SER  34           H        SER  34  12.169   1.269  -6.253
  262    HA   SER  34           HA       SER  34  11.026  -0.934  -4.948
  263   1HB   SER  34          2HB       SER  34  13.408  -0.680  -5.769
  264   2HB   SER  34          1HB       SER  34  13.722   0.264  -4.313
  265    HG   SER  34           HG       SER  34  13.350  -1.509  -3.076
  266    H    ASN  35           H        ASN  35  10.000   1.821  -3.978
  267    HA   ASN  35           HA       ASN  35  10.326   1.195  -1.106
  268   1HB   ASN  35          2HB       ASN  35  11.834   3.100  -2.294
  269   2HB   ASN  35          1HB       ASN  35  10.436   4.048  -1.790
  270   1HD2  ASN  35          1HD2      ASN  35  12.625   1.551  -0.541
  271   2HD2  ASN  35          2HD2      ASN  35  12.753   2.217   1.047
  272    H    TRP  36           H        TRP  36   8.486   2.722  -3.642
  273    HA   TRP  36           HA       TRP  36   6.222   2.948  -1.778
  274   1HB   TRP  36          2HB       TRP  36   6.788   4.820  -4.096
  275   2HB   TRP  36          1HB       TRP  36   5.477   4.957  -2.928
  276    HD1  TRP  36           HD       TRP  36   9.209   5.602  -3.332
  277    HE1  TRP  36           1HE      TRP  36  10.049   6.993  -1.338
  278    HE3  TRP  36           3HE      TRP  36   4.998   5.494  -0.418
  279    HZ2  TRP  36           2HZ      TRP  36   9.060   7.910   1.143
  280    HZ3  TRP  36           3HZ      TRP  36   5.044   6.664   1.759
  281    HH2  TRP  36           HH       TRP  36   7.033   7.845   2.509
  282    H    TYR  37           H        TYR  37   4.717   1.482  -2.342
  283    HA   TYR  37           HA       TYR  37   4.837   0.398  -5.041
  284   1HB   TYR  37          2HB       TYR  37   3.299  -0.506  -2.604
  285   2HB   TYR  37          1HB       TYR  37   3.319  -1.351  -4.146
  286    HD1  TYR  37           1HD      TYR  37   4.041  -2.730  -1.682
  287    HD2  TYR  37           2HD      TYR  37   6.474  -0.419  -4.299
  288    HE1  TYR  37           1HE      TYR  37   6.018  -3.997  -0.954
  289    HE2  TYR  37           2HE      TYR  37   8.457  -1.680  -3.578
  290    HH   TYR  37           HH       TYR  37   9.238  -3.055  -1.840
  291    H    ARG  38           H        ARG  38   3.066   0.104  -6.394
  292    HA   ARG  38           HA       ARG  38   1.023   2.175  -6.082
  293   1HB   ARG  38          2HB       ARG  38   2.522   1.369  -8.306
  294   2HB   ARG  38          1HB       ARG  38   0.960   0.606  -8.570
  295   1HG   ARG  38          2HG       ARG  38   0.157   2.517  -9.333
  296   2HG   ARG  38          1HG       ARG  38   0.481   3.279  -7.775
  297   1HD   ARG  38          2HD       ARG  38   2.731   3.830  -8.485
  298   2HD   ARG  38          1HD       ARG  38   2.479   2.999 -10.017
  299    HE   ARG  38           HE       ARG  38   1.419   5.592  -9.229
  300   1HH1  ARG  38          1HH1      ARG  38   1.450   3.002 -11.575
  301   2HH1  ARG  38          2HH1      ARG  38   0.767   3.972 -12.834
  302   1HH2  ARG  38          1HH2      ARG  38   0.513   6.860 -10.884
  303   2HH2  ARG  38          2HH2      ARG  38   0.231   6.158 -12.443
  304    H    ALA  39           H        ALA  39  -0.448   1.331  -4.762
  305    HA   ALA  39           HA       ALA  39  -1.395  -1.390  -5.288
  306   1HB   ALA  39          1HB       ALA  39  -0.421  -0.677  -2.999
  307   2HB   ALA  39          2HB       ALA  39  -1.923  -1.603  -3.022
  308   3HB   ALA  39          3HB       ALA  39  -1.967   0.143  -2.772
  309    H    GLU  40           H        GLU  40  -3.717  -1.712  -4.592
  310    HA   GLU  40           HA       GLU  40  -5.319   0.503  -5.677
  311   1HB   GLU  40          2HB       GLU  40  -5.048  -1.615  -7.109
  312   2HB   GLU  40          1HB       GLU  40  -6.113  -2.384  -5.943
  313   1HG   GLU  40          2HG       GLU  40  -7.194   0.133  -6.858
  314   2HG   GLU  40          1HG       GLU  40  -6.848  -0.954  -8.202
  315    H    LEU  41           H        LEU  41  -7.337   0.895  -4.796
  316    HA   LEU  41           HA       LEU  41  -8.347  -0.673  -2.594
  317   1HB   LEU  41          2HB       LEU  41  -6.461   1.146  -1.944
  318   2HB   LEU  41          1HB       LEU  41  -7.876   2.179  -1.927
  319    HG   LEU  41           HG       LEU  41  -8.909   0.828  -0.209
  320   1HD1  LEU  41          1HD1      LEU  41  -6.471  -0.932  -0.428
  321   2HD1  LEU  41          2HD1      LEU  41  -8.121  -1.371  -0.871
  322   3HD1  LEU  41          3HD1      LEU  41  -7.715  -1.057   0.815
  323   1HD2  LEU  41          1HD2      LEU  41  -6.964   2.539   0.193
  324   2HD2  LEU  41          2HD2      LEU  41  -6.123   1.109   0.783
  325   3HD2  LEU  41          3HD2      LEU  41  -7.644   1.610   1.524
  326    H    ASP  42           H        ASP  42 -10.512  -0.553  -2.649
  327    HA   ASP  42           HA       ASP  42 -12.616   0.084  -3.227
  328   1HB   ASP  42          2HB       ASP  42 -11.228   2.581  -2.591
  329   2HB   ASP  42          1HB       ASP  42 -12.559   2.809  -3.720
  330    H    GLY  43           H        GLY  43 -10.955   2.608  -5.088
  331   1HA   GLY  43          2HA       GLY  43 -11.171   1.104  -7.550
  332   2HA   GLY  43          1HA       GLY  43 -12.283   2.460  -7.432
  333    H    LYS  44           H        LYS  44  -9.018   2.445  -6.063
  334    HA   LYS  44           HA       LYS  44  -8.145   4.342  -8.149
  335   1HB   LYS  44          2HB       LYS  44  -9.001   5.174  -5.748
  336   2HB   LYS  44          1HB       LYS  44  -7.335   4.801  -5.331
  337   1HG   LYS  44          2HG       LYS  44  -6.899   6.879  -6.012
  338   2HG   LYS  44          1HG       LYS  44  -7.032   6.218  -7.644
  339   1HD   LYS  44          2HD       LYS  44  -9.451   6.782  -7.615
  340   2HD   LYS  44          1HD       LYS  44  -9.214   7.557  -6.048
  341   1HE   LYS  44          2HE       LYS  44  -7.792   9.208  -6.979
  342   2HE   LYS  44          1HE       LYS  44  -7.658   8.330  -8.503
  343   1HZ   LYS  44          1HZ       LYS  44 -10.254   9.353  -7.522
  344   2HZ   LYS  44          2HZ       LYS  44  -9.832   8.888  -9.093
  345   3HZ   LYS  44          3HZ       LYS  44  -9.209  10.317  -8.439
  346    H    GLU  45           H        GLU  45  -5.965   4.323  -8.622
  347    HA   GLU  45           HA       GLU  45  -4.367   2.192  -7.376
  348   1HB   GLU  45          2HB       GLU  45  -4.482   2.153  -9.847
  349   2HB   GLU  45          1HB       GLU  45  -3.860   3.796  -9.906
  350   1HG   GLU  45          2HG       GLU  45  -1.776   3.050  -9.891
  351   2HG   GLU  45          1HG       GLU  45  -2.062   2.179  -8.385
  352    H    GLY  46           H        GLY  46  -3.351   2.991  -5.574
  353   1HA   GLY  46          2HA       GLY  46  -2.011   5.599  -5.914
  354   2HA   GLY  46          1HA       GLY  46  -2.949   5.241  -4.483
  355    H    LEU  47           H        LEU  47  -0.061   5.881  -5.153
  356    HA   LEU  47           HA       LEU  47   1.621   3.771  -4.527
  357   1HB   LEU  47          2HB       LEU  47   1.849   6.732  -4.176
  358   2HB   LEU  47          1HB       LEU  47   3.172   5.661  -3.776
  359    HG   LEU  47           HG       LEU  47   1.939   5.612  -6.509
  360   1HD1  LEU  47          1HD1      LEU  47   3.002   7.924  -5.416
  361   2HD1  LEU  47          2HD1      LEU  47   2.809   7.565  -7.131
  362   3HD1  LEU  47          3HD1      LEU  47   4.341   7.225  -6.327
  363   1HD2  LEU  47          1HD2      LEU  47   4.824   5.239  -5.865
  364   2HD2  LEU  47          2HD2      LEU  47   3.853   4.519  -7.146
  365   3HD2  LEU  47          3HD2      LEU  47   3.687   3.944  -5.488
  366    H    ILE  48           H        ILE  48   2.590   3.114  -2.542
  367    HA   ILE  48           HA       ILE  48   1.596   4.331  -0.081
  368    HB   ILE  48           HB       ILE  48   0.924   2.204   0.911
  369   1HG1  ILE  48          2HG1      ILE  48   0.456   0.509  -1.224
  370   2HG1  ILE  48          1HG1      ILE  48   2.052   1.163  -1.579
  371   1HG2  ILE  48          1HG2      ILE  48  -0.637   2.411  -1.622
  372   2HG2  ILE  48          2HG2      ILE  48  -0.585   3.785  -0.517
  373   3HG2  ILE  48          3HG2      ILE  48  -1.204   2.230   0.038
  374   1HD1  ILE  48          1HD1      ILE  48   1.190  -0.670   0.546
  375   2HD1  ILE  48          2HD1      ILE  48   2.366   0.553   1.018
  376   3HD1  ILE  48          3HD1      ILE  48   2.728  -0.555  -0.305
  377    HA   PRO  49           HA       PRO  49   5.917   4.162   1.170
  378   1HB   PRO  49          2HB       PRO  49   4.833   3.630   3.814
  379   2HB   PRO  49          1HB       PRO  49   5.743   5.017   3.231
  380   1HG   PRO  49          2HG       PRO  49   2.861   4.714   3.527
  381   2HG   PRO  49          1HG       PRO  49   3.808   6.175   3.227
  382   1HD   PRO  49          2HD       PRO  49   2.136   5.075   1.383
  383   2HD   PRO  49          1HD       PRO  49   3.582   5.996   0.934
  384    H    SER  50           H        SER  50   7.356   2.542   1.507
  385    HA   SER  50           HA       SER  50   6.513  -0.218   1.401
  386   1HB   SER  50          2HB       SER  50   8.870  -0.730   1.218
  387   2HB   SER  50          1HB       SER  50   8.469   0.609   0.150
  388    HG   SER  50           HG       SER  50  10.419   0.719   1.643
  389    H    ASN  51           H        ASN  51   8.226   1.689   3.867
  390    HA   ASN  51           HA       ASN  51   8.809  -0.471   5.542
  391   1HB   ASN  51          2HB       ASN  51   9.198   2.336   5.532
  392   2HB   ASN  51          1HB       ASN  51   8.563   1.893   7.112
  393   1HD2  ASN  51          1HD2      ASN  51  10.267   1.923   8.411
  394   2HD2  ASN  51          2HD2      ASN  51  11.745   1.068   8.147
  395    H    TYR  52           H        TYR  52   5.753   1.032   5.142
  396    HA   TYR  52           HA       TYR  52   4.877   0.362   7.853
  397   1HB   TYR  52          2HB       TYR  52   3.494   1.733   5.544
  398   2HB   TYR  52          1HB       TYR  52   2.719   1.402   7.087
  399    HD1  TYR  52           1HD      TYR  52   6.218   2.574   6.557
  400    HD2  TYR  52           2HD      TYR  52   2.294   3.573   7.862
  401    HE1  TYR  52           1HE      TYR  52   7.060   4.706   7.431
  402    HE2  TYR  52           2HE      TYR  52   3.128   5.709   8.741
  403    HH   TYR  52           HH       TYR  52   5.051   6.834   9.345
  404    H    ILE  53           H        ILE  53   5.173  -1.305   4.975
  405    HA   ILE  53           HA       ILE  53   3.214  -3.211   5.917
  406    HB   ILE  53           HB       ILE  53   1.710  -2.842   4.318
  407   1HG1  ILE  53          2HG1      ILE  53   3.126  -4.511   2.992
  408   2HG1  ILE  53          1HG1      ILE  53   1.956  -3.550   2.114
  409   1HG2  ILE  53          1HG2      ILE  53   1.613  -0.797   3.458
  410   2HG2  ILE  53          2HG2      ILE  53   3.054  -1.046   2.482
  411   3HG2  ILE  53          3HG2      ILE  53   3.206  -0.540   4.157
  412   1HD1  ILE  53          1HD1      ILE  53   4.646  -3.856   1.528
  413   2HD1  ILE  53          2HD1      ILE  53   4.508  -2.228   2.190
  414   3HD1  ILE  53          3HD1      ILE  53   3.520  -2.705   0.810
  415    H    GLU  54           H        GLU  54   3.326  -5.277   4.807
  416    HA   GLU  54           HA       GLU  54   5.753  -6.008   3.375
  417   1HB   GLU  54          2HB       GLU  54   5.058  -7.889   5.542
  418   2HB   GLU  54          1HB       GLU  54   6.632  -7.429   4.921
  419   1HG   GLU  54          2HG       GLU  54   6.972  -6.249   6.751
  420   2HG   GLU  54          1HG       GLU  54   5.639  -5.190   6.310
  421    H    MET  55           H        MET  55   5.476  -8.126   2.357
  422    HA   MET  55           HA       MET  55   2.800  -8.560   1.491
  423   1HB   MET  55          2HB       MET  55   5.013  -9.094   0.259
  424   2HB   MET  55          1HB       MET  55   4.971 -10.605   1.160
  425   1HG   MET  55          2HG       MET  55   2.580 -10.831   0.235
  426   2HG   MET  55          1HG       MET  55   3.077  -9.603  -0.926
  427   1HE   MET  55          1HE       MET  55   4.164 -13.725  -0.090
  428   2HE   MET  55          2HE       MET  55   3.020 -13.734  -1.433
  429   3HE   MET  55          3HE       MET  55   2.631 -12.860   0.049
  430    H    LYS  56           H        LYS  56   1.212  -9.691   2.396
  431    HA   LYS  56           HA       LYS  56   0.803 -12.035   3.203
  432   1HB   LYS  56          2HB       LYS  56   2.829 -12.163   4.610
  433   2HB   LYS  56          1HB       LYS  56   2.228 -10.839   5.599
  434   1HG   LYS  56          2HG       LYS  56   0.844 -12.162   6.753
  435   2HG   LYS  56          1HG       LYS  56   0.426 -13.138   5.342
  436   1HD   LYS  56          2HD       LYS  56   2.372 -14.446   5.537
  437   2HD   LYS  56          1HD       LYS  56   3.125 -13.302   6.648
  438   1HE   LYS  56          2HE       LYS  56   0.860 -13.964   8.001
  439   2HE   LYS  56          1HE       LYS  56   1.227 -15.475   7.170
  440   1HZ   LYS  56          1HZ       LYS  56   3.637 -14.702   8.127
  441   2HZ   LYS  56          2HZ       LYS  56   2.614 -15.830   8.862
  442   3HZ   LYS  56          3HZ       LYS  56   2.590 -14.216   9.364
  443    H    ASN  57           H        ASN  57  -0.567  -9.927   2.476
  444    HA   ASN  57           HA       ASN  57  -1.980  -8.460   4.370
  445   1HB   ASN  57          2HB       ASN  57  -3.680  -8.268   2.645
  446   2HB   ASN  57          1HB       ASN  57  -2.077  -7.982   1.998
  447   1HD2  ASN  57          1HD2      ASN  57  -4.823  -9.181   1.095
  448   2HD2  ASN  57          2HD2      ASN  57  -4.331 -10.536   0.151
  449    H    HIS  58           H        HIS  58  -3.350  -9.035   5.827
  450    HA   HIS  58           HA       HIS  58  -4.783 -11.578   5.529
  451   1HB   HIS  58          2HB       HIS  58  -2.965 -11.232   7.400
  452   2HB   HIS  58          1HB       HIS  58  -4.274 -10.416   8.241
  453    HD1  HIS  58           1HD      HIS  58  -6.638 -12.159   7.947
  454    HD2  HIS  58           2HD      HIS  58  -2.817 -13.749   8.306
  455    HE1  HIS  58           1HE      HIS  58  -6.964 -14.499   8.784
  456    HE2  HIS  58           2HE      HIS  58  -4.649 -15.484   8.870
  457    H    ASP  59           H        ASP  59  -6.084 -10.475   8.251
  458    HA   ASP  59           HA       ASP  59  -8.133  -8.885   6.864
  459   1HB   ASP  59          2HB       ASP  59  -8.583 -11.397   7.606
  460   2HB   ASP  59          1HB       ASP  59  -8.883 -10.632   9.163
  Start of MODEL    4
    1   1H    MET   1          1HT       MET   1  -3.783 -10.839  -5.502
    2   2H    MET   1          2HT       MET   1  -2.666 -11.620  -6.547
    3   3H    MET   1          3HT       MET   1  -3.002  -9.948  -6.740
    4    HA   MET   1           HA       MET   1  -1.365 -11.312  -4.753
    5   1HB   MET   1          2HB       MET   1  -1.183  -8.805  -6.403
    6   2HB   MET   1          1HB       MET   1  -0.022  -9.228  -5.151
    7   1HG   MET   1          2HG       MET   1   0.287 -11.419  -6.411
    8   2HG   MET   1          1HG       MET   1  -0.572 -10.636  -7.737
    9   1HE   MET   1          1HE       MET   1   2.997 -11.595  -7.239
   10   2HE   MET   1          2HE       MET   1   3.194 -10.766  -8.784
   11   3HE   MET   1          3HE       MET   1   1.782 -11.785  -8.503
   12    H    GLU   2           H        GLU   2  -1.148 -10.710  -2.714
   13    HA   GLU   2           HA       GLU   2  -2.668  -8.383  -1.813
   14   1HB   GLU   2          2HB       GLU   2  -3.367  -9.686   0.214
   15   2HB   GLU   2          1HB       GLU   2  -4.123 -10.167  -1.298
   16   1HG   GLU   2          2HG       GLU   2  -1.726 -11.688  -0.834
   17   2HG   GLU   2          1HG       GLU   2  -2.818 -11.797   0.545
   18    H    ALA   3           H        ALA   3  -1.867  -7.313  -0.080
   19    HA   ALA   3           HA       ALA   3   0.567  -8.121   1.255
   20   1HB   ALA   3          1HB       ALA   3   0.653  -6.406  -0.879
   21   2HB   ALA   3          2HB       ALA   3   1.869  -6.529   0.390
   22   3HB   ALA   3          3HB       ALA   3   0.594  -5.315   0.504
   23    H    ILE   4           H        ILE   4   0.662  -7.347   3.393
   24    HA   ILE   4           HA       ILE   4  -1.730  -5.874   4.275
   25    HB   ILE   4           HB       ILE   4  -1.316  -8.101   5.312
   26   1HG1  ILE   4          2HG1      ILE   4  -2.355  -5.937   6.448
   27   2HG1  ILE   4          1HG1      ILE   4  -2.161  -7.440   7.335
   28   1HG2  ILE   4          1HG2      ILE   4   0.539  -8.017   7.139
   29   2HG2  ILE   4          2HG2      ILE   4   1.253  -6.794   6.091
   30   3HG2  ILE   4          3HG2      ILE   4   0.951  -8.416   5.473
   31   1HD1  ILE   4          1HD1      ILE   4  -1.309  -6.019   8.868
   32   2HD1  ILE   4          2HD1      ILE   4  -0.788  -4.848   7.666
   33   3HD1  ILE   4          3HD1      ILE   4   0.171  -6.294   7.954
   34    H    ALA   5           H        ALA   5  -1.410  -4.223   5.964
   35    HA   ALA   5           HA       ALA   5   1.296  -3.128   5.979
   36   1HB   ALA   5          1HB       ALA   5  -0.215  -2.091   4.205
   37   2HB   ALA   5          2HB       ALA   5   0.624  -0.993   5.302
   38   3HB   ALA   5          3HB       ALA   5  -1.075  -1.356   5.557
   39    H    LYS   6           H        LYS   6   1.761  -3.269   8.228
   40    HA   LYS   6           HA       LYS   6  -0.404  -2.104   9.890
   41   1HB   LYS   6          2HB       LYS   6   0.925  -3.156  11.805
   42   2HB   LYS   6          1HB       LYS   6   0.111  -4.276  10.721
   43   1HG   LYS   6          2HG       LYS   6   2.030  -5.307  10.337
   44   2HG   LYS   6          1HG       LYS   6   2.702  -3.822   9.669
   45   1HD   LYS   6          2HD       LYS   6   4.154  -3.847  11.352
   46   2HD   LYS   6          1HD       LYS   6   2.808  -3.432  12.414
   47   1HE   LYS   6          2HE       LYS   6   3.699  -6.230  11.724
   48   2HE   LYS   6          1HE       LYS   6   4.068  -5.381  13.224
   49   1HZ   LYS   6          1HZ       LYS   6   1.723  -5.293  13.732
   50   2HZ   LYS   6          2HZ       LYS   6   2.187  -6.896  13.458
   51   3HZ   LYS   6          3HZ       LYS   6   1.337  -6.049  12.267
   52    H    HIS   7           H        HIS   7   0.093  -0.014   9.462
   53    HA   HIS   7           HA       HIS   7   1.608   1.172  11.336
   54   1HB   HIS   7          2HB       HIS   7   2.964   0.910   8.703
   55   2HB   HIS   7          1HB       HIS   7   2.994   2.516   9.418
   56    HD1  HIS   7           1HD      HIS   7   3.068   0.859  12.357
   57    HD2  HIS   7           2HD      HIS   7   5.820   0.974   9.252
   58    HE1  HIS   7           1HE      HIS   7   5.258   0.210  13.381
   59    HE2  HIS   7           2HE      HIS   7   6.935   0.399  11.508
   60    H    ASP   8           H        ASP   8   0.209   3.102  11.650
   61    HA   ASP   8           HA       ASP   8  -1.792   3.473   9.662
   62   1HB   ASP   8          2HB       ASP   8  -0.958   5.611  11.641
   63   2HB   ASP   8          1HB       ASP   8  -2.515   5.444  10.835
   64    H    PHE   9           H        PHE   9  -1.956   5.377   8.200
   65    HA   PHE   9           HA       PHE   9   0.303   7.077   7.879
   66   1HB   PHE   9          2HB       PHE   9   1.133   4.886   6.865
   67   2HB   PHE   9          1HB       PHE   9  -0.034   5.169   5.580
   68    HD1  PHE   9           1HD      PHE   9   2.865   6.698   7.308
   69    HD2  PHE   9           2HD      PHE   9   0.514   6.534   3.771
   70    HE1  PHE   9           1HE      PHE   9   4.521   8.103   6.156
   71    HE2  PHE   9           2HE      PHE   9   2.161   7.946   2.609
   72    HZ   PHE   9           HZ       PHE   9   4.167   8.732   3.803
   73    H    SER  10           H        SER  10   0.228   8.512   6.190
   74    HA   SER  10           HA       SER  10  -2.238   8.648   4.681
   75   1HB   SER  10          2HB       SER  10  -1.911  10.209   6.995
   76   2HB   SER  10          1HB       SER  10  -1.654  11.311   5.644
   77    HG   SER  10           HG       SER  10  -3.668  10.502   4.785
   78    H    ALA  11           H        ALA  11  -1.330   8.479   2.766
   79    HA   ALA  11           HA       ALA  11   0.861   8.881   1.462
   80   1HB   ALA  11          1HB       ALA  11  -1.876   9.789   0.842
   81   2HB   ALA  11          2HB       ALA  11  -0.862   8.594   0.042
   82   3HB   ALA  11          3HB       ALA  11  -0.581  10.314  -0.233
   83    H    THR  12           H        THR  12   2.210  10.225   0.616
   84    HA   THR  12           HA       THR  12   2.317  12.933   1.723
   85    HB   THR  12           HB       THR  12   4.298  10.792   1.265
   86    HG1  THR  12           1HG      THR  12   4.655  13.179   2.731
   87   1HG2  THR  12          1HG2      THR  12   5.097  13.606   0.496
   88   2HG2  THR  12          2HG2      THR  12   5.106  12.184  -0.549
   89   3HG2  THR  12          3HG2      THR  12   6.200  12.271   0.832
   90    H    ALA  13           H        ALA  13   1.516  11.278  -1.045
   91    HA   ALA  13           HA       ALA  13   1.783  13.712  -2.687
   92   1HB   ALA  13          1HB       ALA  13   2.913  12.696  -4.346
   93   2HB   ALA  13          2HB       ALA  13   1.931  11.237  -4.234
   94   3HB   ALA  13          3HB       ALA  13   3.309  11.457  -3.156
   95    H    ASP  14           H        ASP  14   0.022  13.869  -4.329
   96    HA   ASP  14           HA       ASP  14  -2.500  13.152  -3.385
   97   1HB   ASP  14          2HB       ASP  14  -1.612  13.906  -6.172
   98   2HB   ASP  14          1HB       ASP  14  -3.294  13.731  -5.689
   99    H    ASP  15           H        ASP  15  -0.425  11.611  -5.767
  100    HA   ASP  15           HA       ASP  15  -2.411   9.569  -6.347
  101   1HB   ASP  15          2HB       ASP  15  -0.568   8.662  -7.835
  102   2HB   ASP  15          1HB       ASP  15  -1.116  10.287  -8.235
  103    H    GLU  16           H        GLU  16  -1.390   9.833  -3.634
  104    HA   GLU  16           HA       GLU  16  -0.162   7.188  -3.346
  105   1HB   GLU  16          2HB       GLU  16   0.379   9.751  -1.889
  106   2HB   GLU  16          1HB       GLU  16   0.665   8.208  -1.104
  107   1HG   GLU  16          2HG       GLU  16   1.922   7.837  -3.458
  108   2HG   GLU  16          1HG       GLU  16   2.164   9.558  -3.223
  109    H    LEU  17           H        LEU  17  -1.523   5.828  -2.523
  110    HA   LEU  17           HA       LEU  17  -4.038   6.609  -1.376
  111   1HB   LEU  17          2HB       LEU  17  -3.231   4.475  -2.753
  112   2HB   LEU  17          1HB       LEU  17  -3.030   3.833  -1.133
  113    HG   LEU  17           HG       LEU  17  -5.439   4.561  -0.709
  114   1HD1  LEU  17          1HD1      LEU  17  -5.635   6.060  -2.637
  115   2HD1  LEU  17          2HD1      LEU  17  -6.864   4.795  -2.661
  116   3HD1  LEU  17          3HD1      LEU  17  -5.460   4.681  -3.722
  117   1HD2  LEU  17          1HD2      LEU  17  -4.468   2.306  -2.350
  118   2HD2  LEU  17          2HD2      LEU  17  -6.206   2.586  -2.322
  119   3HD2  LEU  17          3HD2      LEU  17  -5.338   2.308  -0.814
  120    H    SER  18           H        SER  18  -4.529   6.859   0.726
  121    HA   SER  18           HA       SER  18  -2.553   6.244   2.785
  122   1HB   SER  18          2HB       SER  18  -4.170   7.389   4.315
  123   2HB   SER  18          1HB       SER  18  -3.635   8.402   2.975
  124    HG   SER  18           HG       SER  18  -6.016   6.885   2.875
  125    H    PHE  19           H        PHE  19  -3.410   5.267   4.853
  126    HA   PHE  19           HA       PHE  19  -5.649   3.533   4.795
  127   1HB   PHE  19          2HB       PHE  19  -4.489   1.362   4.760
  128   2HB   PHE  19          1HB       PHE  19  -4.250   2.238   3.252
  129    HD1  PHE  19           1HD      PHE  19  -2.634   1.478   6.506
  130    HD2  PHE  19           2HD      PHE  19  -2.107   2.637   2.446
  131    HE1  PHE  19           1HE      PHE  19  -0.199   1.223   6.752
  132    HE2  PHE  19           2HE      PHE  19   0.327   2.383   2.687
  133    HZ   PHE  19           HZ       PHE  19   1.284   1.676   4.840
  134    H    ARG  20           H        ARG  20  -5.335   1.737   6.598
  135    HA   ARG  20           HA       ARG  20  -4.296   3.195   8.941
  136   1HB   ARG  20          2HB       ARG  20  -6.632   1.294   8.721
  137   2HB   ARG  20          1HB       ARG  20  -6.028   1.948  10.238
  138   1HG   ARG  20          2HG       ARG  20  -6.877   3.761   8.015
  139   2HG   ARG  20          1HG       ARG  20  -8.052   3.058   9.125
  140   1HD   ARG  20          2HD       ARG  20  -5.636   4.619  10.014
  141   2HD   ARG  20          1HD       ARG  20  -7.221   5.343   9.755
  142    HE   ARG  20           HE       ARG  20  -6.383   3.982  12.060
  143   1HH1  ARG  20          1HH1      ARG  20  -9.157   4.165   9.936
  144   2HH1  ARG  20          2HH1      ARG  20 -10.280   3.715  11.173
  145   1HH2  ARG  20          1HH2      ARG  20  -7.873   3.423  13.684
  146   2HH2  ARG  20          2HH2      ARG  20  -9.557   3.306  13.297
  147    H    LYS  21           H        LYS  21  -3.761   1.701  10.878
  148    HA   LYS  21           HA       LYS  21  -1.861  -0.249  10.094
  149   1HB   LYS  21          2HB       LYS  21  -2.775   1.005  12.514
  150   2HB   LYS  21          1HB       LYS  21  -2.792  -0.734  12.755
  151   1HG   LYS  21          2HG       LYS  21  -0.594  -0.801  12.973
  152   2HG   LYS  21          1HG       LYS  21  -0.355   0.093  11.474
  153   1HD   LYS  21          2HD       LYS  21   0.619   1.437  13.137
  154   2HD   LYS  21          1HD       LYS  21  -0.949   2.171  12.811
  155   1HE   LYS  21          2HE       LYS  21  -1.892   1.091  14.768
  156   2HE   LYS  21          1HE       LYS  21  -0.359   0.282  15.083
  157   1HZ   LYS  21          1HZ       LYS  21   0.052   3.069  14.858
  158   2HZ   LYS  21          2HZ       LYS  21   0.352   2.053  16.176
  159   3HZ   LYS  21          3HZ       LYS  21  -1.168   2.771  15.993
  160    H    THR  22           H        THR  22  -2.131  -2.443   9.828
  161    HA   THR  22           HA       THR  22  -3.028  -4.515  10.002
  162    HB   THR  22           HB       THR  22  -5.389  -3.185  11.326
  163    HG1  THR  22           1HG      THR  22  -3.144  -3.335  12.332
  164   1HG2  THR  22          1HG2      THR  22  -6.378  -5.144  10.796
  165   2HG2  THR  22          2HG2      THR  22  -5.520  -5.655  12.250
  166   3HG2  THR  22          3HG2      THR  22  -4.851  -6.014  10.657
  167    H    GLN  23           H        GLN  23  -4.324  -2.014   8.103
  168    HA   GLN  23           HA       GLN  23  -6.244  -3.875   6.944
  169   1HB   GLN  23          2HB       GLN  23  -6.129  -1.021   6.934
  170   2HB   GLN  23          1HB       GLN  23  -6.221  -1.619   5.282
  171   1HG   GLN  23          2HG       GLN  23  -8.241  -2.744   5.690
  172   2HG   GLN  23          1HG       GLN  23  -8.070  -2.584   7.438
  173   1HE2  GLN  23          1HE2      GLN  23  -9.690  -1.460   4.844
  174   2HE2  GLN  23          2HE2      GLN  23 -10.136   0.105   5.423
  175    H    ILE  24           H        ILE  24  -6.177  -4.811   5.020
  176    HA   ILE  24           HA       ILE  24  -3.541  -5.181   3.900
  177    HB   ILE  24           HB       ILE  24  -5.989  -6.420   2.707
  178   1HG1  ILE  24          2HG1      ILE  24  -4.781  -8.006   4.851
  179   2HG1  ILE  24          1HG1      ILE  24  -5.576  -6.555   5.444
  180   1HG2  ILE  24          1HG2      ILE  24  -3.891  -6.853   1.623
  181   2HG2  ILE  24          2HG2      ILE  24  -4.437  -8.326   2.426
  182   3HG2  ILE  24          3HG2      ILE  24  -3.161  -7.346   3.150
  183   1HD1  ILE  24          1HD1      ILE  24  -6.735  -9.012   4.694
  184   2HD1  ILE  24          2HD1      ILE  24  -7.283  -7.794   3.542
  185   3HD1  ILE  24          3HD1      ILE  24  -7.538  -7.551   5.270
  186    H    LEU  25           H        LEU  25  -2.844  -4.678   1.857
  187    HA   LEU  25           HA       LEU  25  -4.609  -2.916   0.288
  188   1HB   LEU  25          2HB       LEU  25  -1.649  -2.779   0.775
  189   2HB   LEU  25          1HB       LEU  25  -2.427  -1.909  -0.535
  190    HG   LEU  25           HG       LEU  25  -3.960  -1.199   1.643
  191   1HD1  LEU  25          1HD1      LEU  25  -1.171  -1.763   2.507
  192   2HD1  LEU  25          2HD1      LEU  25  -2.688  -1.934   3.391
  193   3HD1  LEU  25          3HD1      LEU  25  -1.985  -0.336   3.149
  194   1HD2  LEU  25          1HD2      LEU  25  -2.490   0.927   1.516
  195   2HD2  LEU  25          2HD2      LEU  25  -3.437   0.447   0.109
  196   3HD2  LEU  25          3HD2      LEU  25  -1.709   0.101   0.169
  197    H    LYS  26           H        LYS  26  -4.558  -3.049  -1.973
  198    HA   LYS  26           HA       LYS  26  -3.899  -5.669  -3.031
  199   1HB   LYS  26          2HB       LYS  26  -5.973  -4.174  -3.457
  200   2HB   LYS  26          1HB       LYS  26  -4.931  -3.334  -4.597
  201   1HG   LYS  26          2HG       LYS  26  -5.396  -4.868  -6.125
  202   2HG   LYS  26          1HG       LYS  26  -4.640  -6.091  -5.106
  203   1HD   LYS  26          2HD       LYS  26  -6.846  -6.236  -3.878
  204   2HD   LYS  26          1HD       LYS  26  -7.531  -5.262  -5.181
  205   1HE   LYS  26          2HE       LYS  26  -7.573  -6.994  -6.596
  206   2HE   LYS  26          1HE       LYS  26  -5.960  -7.533  -6.128
  207   1HZ   LYS  26          1HZ       LYS  26  -7.704  -8.033  -3.997
  208   2HZ   LYS  26          2HZ       LYS  26  -6.882  -9.151  -4.963
  209   3HZ   LYS  26          3HZ       LYS  26  -8.429  -8.631  -5.404
  210    H    ILE  27           H        ILE  27  -1.683  -5.800  -3.307
  211    HA   ILE  27           HA       ILE  27  -0.156  -3.679  -4.525
  212    HB   ILE  27           HB       ILE  27   1.661  -5.468  -4.601
  213   1HG1  ILE  27          2HG1      ILE  27  -0.250  -6.872  -2.722
  214   2HG1  ILE  27          1HG1      ILE  27   0.045  -7.384  -4.382
  215   1HG2  ILE  27          1HG2      ILE  27   1.260  -3.609  -2.904
  216   2HG2  ILE  27          2HG2      ILE  27   2.285  -4.956  -2.405
  217   3HG2  ILE  27          3HG2      ILE  27   0.610  -4.869  -1.860
  218   1HD1  ILE  27          1HD1      ILE  27   2.524  -7.076  -2.968
  219   2HD1  ILE  27          2HD1      ILE  27   1.852  -8.498  -3.765
  220   3HD1  ILE  27          3HD1      ILE  27   1.431  -8.145  -2.089
  221    H    LEU  28           H        LEU  28   0.373  -3.428  -6.638
  222    HA   LEU  28           HA       LEU  28   0.018  -5.663  -8.471
  223   1HB   LEU  28          2HB       LEU  28  -1.480  -4.567  -9.931
  224   2HB   LEU  28          1HB       LEU  28  -2.170  -4.517  -8.320
  225    HG   LEU  28           HG       LEU  28  -0.776  -2.132  -8.483
  226   1HD1  LEU  28          1HD1      LEU  28  -0.461  -2.560 -10.907
  227   2HD1  LEU  28          2HD1      LEU  28  -1.380  -1.101 -10.554
  228   3HD1  LEU  28          3HD1      LEU  28  -2.214  -2.555 -11.094
  229   1HD2  LEU  28          1HD2      LEU  28  -3.652  -2.894  -8.828
  230   2HD2  LEU  28          2HD2      LEU  28  -3.141  -1.207  -8.888
  231   3HD2  LEU  28          3HD2      LEU  28  -2.852  -2.165  -7.435
  232    H    ASN  29           H        ASN  29   1.545  -2.612  -7.740
  233    HA   ASN  29           HA       ASN  29   3.370  -3.209  -9.906
  234   1HB   ASN  29          2HB       ASN  29   1.890  -1.802 -11.129
  235   2HB   ASN  29          1HB       ASN  29   1.757  -0.663  -9.802
  236   1HD2  ASN  29          1HD2      ASN  29   3.870   0.393  -9.175
  237   2HD2  ASN  29          2HD2      ASN  29   4.883   0.901 -10.473
  238    H    MET  30           H        MET  30   4.959  -3.465  -8.909
  239    HA   MET  30           HA       MET  30   6.253  -1.490  -7.146
  240   1HB   MET  30          2HB       MET  30   7.323  -3.535  -6.088
  241   2HB   MET  30          1HB       MET  30   5.705  -3.067  -5.588
  242   1HG   MET  30          2HG       MET  30   5.086  -4.800  -7.540
  243   2HG   MET  30          1HG       MET  30   6.631  -5.470  -7.021
  244   1HE   MET  30          1HE       MET  30   3.510  -7.500  -5.564
  245   2HE   MET  30          2HE       MET  30   4.109  -6.931  -7.121
  246   3HE   MET  30          3HE       MET  30   2.836  -6.039  -6.288
  247    H    GLU  31           H        GLU  31   8.223  -0.946  -7.931
  248    HA   GLU  31           HA       GLU  31  10.205  -2.371  -8.519
  249   1HB   GLU  31          2HB       GLU  31   8.473  -3.083 -10.685
  250   2HB   GLU  31          1HB       GLU  31   9.995  -2.461 -11.296
  251   1HG   GLU  31          2HG       GLU  31  10.384  -4.303  -9.092
  252   2HG   GLU  31          1HG       GLU  31   9.503  -5.033 -10.433
  253    H    ASP  32           H        ASP  32   8.729   0.184 -10.358
  254    HA   ASP  32           HA       ASP  32  11.260   1.273 -11.160
  255   1HB   ASP  32          2HB       ASP  32   8.453   2.393 -11.215
  256   2HB   ASP  32          1HB       ASP  32   9.855   3.323 -11.732
  257    H    ASP  33           H        ASP  33   9.519   1.146  -8.342
  258    HA   ASP  33           HA       ASP  33  11.117   3.271  -7.169
  259   1HB   ASP  33          2HB       ASP  33   8.498   3.726  -7.787
  260   2HB   ASP  33          1HB       ASP  33   8.363   3.138  -6.132
  261    H    SER  34           H        SER  34  12.316   1.494  -6.203
  262    HA   SER  34           HA       SER  34  11.154  -0.658  -4.846
  263   1HB   SER  34          2HB       SER  34  13.817   0.574  -4.162
  264   2HB   SER  34          1HB       SER  34  13.324  -1.112  -4.009
  265    HG   SER  34           HG       SER  34  13.367  -1.320  -6.210
  266    H    ASN  35           H        ASN  35  10.076   2.116  -4.042
  267    HA   ASN  35           HA       ASN  35  10.270   1.636  -1.145
  268   1HB   ASN  35          2HB       ASN  35  11.322   3.900  -2.684
  269   2HB   ASN  35          1HB       ASN  35  10.354   4.353  -1.285
  270   1HD2  ASN  35          1HD2      ASN  35  10.931   3.302   0.769
  271   2HD2  ASN  35          2HD2      ASN  35  12.604   3.007   1.087
  272    H    TRP  36           H        TRP  36   8.555   3.034  -3.852
  273    HA   TRP  36           HA       TRP  36   6.196   3.340  -2.126
  274   1HB   TRP  36          2HB       TRP  36   6.975   5.064  -4.495
  275   2HB   TRP  36          1HB       TRP  36   5.459   5.184  -3.614
  276    HD1  TRP  36           HD       TRP  36   8.880   6.582  -3.644
  277    HE1  TRP  36           1HE      TRP  36   9.312   7.972  -1.522
  278    HE3  TRP  36           3HE      TRP  36   4.836   5.135  -0.884
  279    HZ2  TRP  36           2HZ      TRP  36   8.100   8.392   0.990
  280    HZ3  TRP  36           3HZ      TRP  36   4.541   6.079   1.379
  281    HH2  TRP  36           HH       TRP  36   6.143   7.674   2.288
  282    H    TYR  37           H        TYR  37   4.784   1.809  -2.619
  283    HA   TYR  37           HA       TYR  37   4.900   0.509  -5.225
  284   1HB   TYR  37          2HB       TYR  37   3.727  -0.185  -2.560
  285   2HB   TYR  37          1HB       TYR  37   3.175  -1.023  -4.000
  286    HD1  TYR  37           1HD      TYR  37   6.662  -0.013  -3.972
  287    HD2  TYR  37           2HD      TYR  37   3.936  -3.094  -2.885
  288    HE1  TYR  37           1HE      TYR  37   8.537  -1.595  -3.756
  289    HE2  TYR  37           2HE      TYR  37   5.800  -4.682  -2.667
  290    HH   TYR  37           HH       TYR  37   8.832  -4.134  -3.893
  291    H    ARG  38           H        ARG  38   3.062   0.037  -6.476
  292    HA   ARG  38           HA       ARG  38   0.937   2.041  -6.214
  293   1HB   ARG  38          2HB       ARG  38   2.384   1.627  -8.415
  294   2HB   ARG  38          1HB       ARG  38   1.266   0.289  -8.631
  295   1HG   ARG  38          2HG       ARG  38   0.025   1.784  -9.727
  296   2HG   ARG  38          1HG       ARG  38  -0.452   2.321  -8.115
  297   1HD   ARG  38          2HD       ARG  38   0.198   4.233  -9.412
  298   2HD   ARG  38          1HD       ARG  38   1.409   3.957  -8.166
  299    HE   ARG  38           HE       ARG  38   2.803   2.947  -9.918
  300   1HH1  ARG  38          1HH1      ARG  38   0.196   5.063 -10.906
  301   2HH1  ARG  38          2HH1      ARG  38   0.923   5.441 -12.428
  302   1HH2  ARG  38          1HH2      ARG  38   3.747   3.455 -11.922
  303   2HH2  ARG  38          2HH2      ARG  38   2.933   4.532 -13.005
  304    H    ALA  39           H        ALA  39  -0.542   1.205  -4.941
  305    HA   ALA  39           HA       ALA  39  -1.404  -1.574  -5.354
  306   1HB   ALA  39          1HB       ALA  39  -0.895  -1.714  -3.160
  307   2HB   ALA  39          2HB       ALA  39  -2.428  -0.876  -2.919
  308   3HB   ALA  39          3HB       ALA  39  -0.921   0.036  -2.949
  309    H    GLU  40           H        GLU  40  -3.769  -1.869  -4.590
  310    HA   GLU  40           HA       GLU  40  -5.316   0.430  -5.523
  311   1HB   GLU  40          2HB       GLU  40  -6.464  -0.703  -7.124
  312   2HB   GLU  40          1HB       GLU  40  -4.980  -1.636  -7.160
  313   1HG   GLU  40          2HG       GLU  40  -5.945  -3.449  -6.201
  314   2HG   GLU  40          1HG       GLU  40  -7.190  -2.529  -5.373
  315    H    LEU  41           H        LEU  41  -7.452   0.624  -4.746
  316    HA   LEU  41           HA       LEU  41  -8.396  -1.119  -2.656
  317   1HB   LEU  41          2HB       LEU  41  -6.684   0.201  -1.495
  318   2HB   LEU  41          1HB       LEU  41  -7.467   1.674  -2.023
  319    HG   LEU  41           HG       LEU  41  -9.121  -0.213  -0.452
  320   1HD1  LEU  41          1HD1      LEU  41  -7.343  -0.393   0.999
  321   2HD1  LEU  41          2HD1      LEU  41  -8.144   1.055   1.609
  322   3HD1  LEU  41          3HD1      LEU  41  -6.710   1.204   0.593
  323   1HD2  LEU  41          1HD2      LEU  41  -9.281   2.432  -1.377
  324   2HD2  LEU  41          2HD2      LEU  41  -9.110   2.535   0.376
  325   3HD2  LEU  41          3HD2      LEU  41 -10.417   1.584  -0.327
  326    H    ASP  42           H        ASP  42 -10.533  -1.079  -2.657
  327    HA   ASP  42           HA       ASP  42 -12.664  -0.566  -3.260
  328   1HB   ASP  42          2HB       ASP  42 -11.531   1.686  -1.824
  329   2HB   ASP  42          1HB       ASP  42 -12.843   2.187  -2.881
  330    H    GLY  43           H        GLY  43 -10.298   0.219  -5.321
  331   1HA   GLY  43          2HA       GLY  43 -11.027   0.341  -7.663
  332   2HA   GLY  43          1HA       GLY  43 -12.186   1.553  -7.157
  333    H    LYS  44           H        LYS  44  -8.998   1.852  -5.741
  334    HA   LYS  44           HA       LYS  44  -8.353   3.924  -7.740
  335   1HB   LYS  44          2HB       LYS  44  -8.007   4.074  -4.731
  336   2HB   LYS  44          1HB       LYS  44  -7.478   5.296  -5.878
  337   1HG   LYS  44          2HG       LYS  44 -10.277   4.711  -6.234
  338   2HG   LYS  44          1HG       LYS  44  -9.929   5.154  -4.562
  339   1HD   LYS  44          2HD       LYS  44  -9.029   6.760  -6.951
  340   2HD   LYS  44          1HD       LYS  44 -10.509   7.082  -6.046
  341   1HE   LYS  44          2HE       LYS  44  -9.236   8.431  -4.796
  342   2HE   LYS  44          1HE       LYS  44  -8.638   6.948  -4.055
  343   1HZ   LYS  44          1HZ       LYS  44  -7.131   7.261  -6.323
  344   2HZ   LYS  44          2HZ       LYS  44  -6.638   7.582  -4.738
  345   3HZ   LYS  44          3HZ       LYS  44  -7.261   8.827  -5.697
  346    H    GLU  45           H        GLU  45  -6.231   4.019  -8.387
  347    HA   GLU  45           HA       GLU  45  -4.395   2.008  -7.276
  348   1HB   GLU  45          2HB       GLU  45  -4.884   2.282  -9.825
  349   2HB   GLU  45          1HB       GLU  45  -3.833   3.686  -9.714
  350   1HG   GLU  45          2HG       GLU  45  -1.956   2.439  -9.505
  351   2HG   GLU  45          1HG       GLU  45  -2.770   1.174  -8.583
  352    H    GLY  46           H        GLY  46  -3.316   2.911  -5.510
  353   1HA   GLY  46          2HA       GLY  46  -2.079   5.545  -6.030
  354   2HA   GLY  46          1HA       GLY  46  -2.955   5.252  -4.544
  355    H    LEU  47           H        LEU  47  -0.115   5.952  -5.286
  356    HA   LEU  47           HA       LEU  47   1.581   3.848  -4.582
  357   1HB   LEU  47          2HB       LEU  47   1.839   6.805  -4.714
  358   2HB   LEU  47          1HB       LEU  47   3.143   5.866  -4.014
  359    HG   LEU  47           HG       LEU  47   2.213   4.886  -6.620
  360   1HD1  LEU  47          1HD1      LEU  47   2.672   6.658  -7.942
  361   2HD1  LEU  47          2HD1      LEU  47   3.913   7.284  -6.857
  362   3HD1  LEU  47          3HD1      LEU  47   2.209   7.570  -6.505
  363   1HD2  LEU  47          1HD2      LEU  47   4.879   5.536  -5.383
  364   2HD2  LEU  47          2HD2      LEU  47   4.685   4.896  -7.015
  365   3HD2  LEU  47          3HD2      LEU  47   4.162   3.943  -5.625
  366    H    ILE  48           H        ILE  48   2.647   3.414  -2.574
  367    HA   ILE  48           HA       ILE  48   1.745   4.898  -0.210
  368    HB   ILE  48           HB       ILE  48   1.126   2.899   1.025
  369   1HG1  ILE  48          2HG1      ILE  48   2.585   1.368  -0.395
  370   2HG1  ILE  48          1HG1      ILE  48   1.026   0.728   0.107
  371   1HG2  ILE  48          1HG2      ILE  48  -0.800   2.273  -0.862
  372   2HG2  ILE  48          2HG2      ILE  48  -0.347   3.935  -1.222
  373   3HG2  ILE  48          3HG2      ILE  48  -0.897   3.505   0.390
  374   1HD1  ILE  48          1HD1      ILE  48   0.647   0.223  -1.999
  375   2HD1  ILE  48          2HD1      ILE  48   2.097   1.074  -2.522
  376   3HD1  ILE  48          3HD1      ILE  48   0.571   1.946  -2.366
  377    HA   PRO  49           HA       PRO  49   5.743   4.178   1.533
  378   1HB   PRO  49          2HB       PRO  49   5.110   3.493   4.116
  379   2HB   PRO  49          1HB       PRO  49   5.170   5.146   3.503
  380   1HG   PRO  49          2HG       PRO  49   2.805   3.353   3.874
  381   2HG   PRO  49          1HG       PRO  49   2.975   5.077   4.242
  382   1HD   PRO  49          2HD       PRO  49   1.703   4.246   2.035
  383   2HD   PRO  49          1HD       PRO  49   2.705   5.710   2.024
  384    H    SER  50           H        SER  50   7.002   2.446   1.258
  385    HA   SER  50           HA       SER  50   5.938  -0.241   1.209
  386   1HB   SER  50          2HB       SER  50   7.850   0.705  -0.248
  387   2HB   SER  50          1HB       SER  50   8.869   0.466   1.172
  388    HG   SER  50           HG       SER  50   8.113  -1.758   1.125
  389    H    ASN  51           H        ASN  51   7.880   1.639   3.451
  390    HA   ASN  51           HA       ASN  51   8.623  -0.507   5.114
  391   1HB   ASN  51          2HB       ASN  51   8.978   2.328   5.009
  392   2HB   ASN  51          1HB       ASN  51   8.533   1.868   6.649
  393   1HD2  ASN  51          1HD2      ASN  51  10.396   0.134   4.202
  394   2HD2  ASN  51          2HD2      ASN  51  11.839   0.001   5.142
  395    H    TYR  52           H        TYR  52   5.559   1.028   4.860
  396    HA   TYR  52           HA       TYR  52   4.863   0.409   7.637
  397   1HB   TYR  52          2HB       TYR  52   3.394   1.867   5.439
  398   2HB   TYR  52          1HB       TYR  52   2.661   1.495   6.993
  399    HD1  TYR  52           1HD      TYR  52   6.128   2.678   6.244
  400    HD2  TYR  52           2HD      TYR  52   2.363   3.566   8.016
  401    HE1  TYR  52           1HE      TYR  52   7.062   4.746   7.180
  402    HE2  TYR  52           2HE      TYR  52   3.292   5.633   8.960
  403    HH   TYR  52           HH       TYR  52   5.887   7.111   7.943
  404    H    ILE  53           H        ILE  53   4.998  -1.287   4.821
  405    HA   ILE  53           HA       ILE  53   2.980  -3.101   5.824
  406    HB   ILE  53           HB       ILE  53   1.517  -2.900   4.131
  407   1HG1  ILE  53          2HG1      ILE  53   3.777  -2.720   2.142
  408   2HG1  ILE  53          1HG1      ILE  53   2.936  -4.201   2.599
  409   1HG2  ILE  53          1HG2      ILE  53   2.068  -0.784   2.570
  410   2HG2  ILE  53          2HG2      ILE  53   3.170  -0.462   3.898
  411   3HG2  ILE  53          3HG2      ILE  53   1.455  -0.631   4.204
  412   1HD1  ILE  53          1HD1      ILE  53   0.846  -2.690   1.849
  413   2HD1  ILE  53          2HD1      ILE  53   1.737  -3.746   0.753
  414   3HD1  ILE  53          3HD1      ILE  53   2.102  -2.021   0.806
  415    H    GLU  54           H        GLU  54   3.026  -5.217   4.765
  416    HA   GLU  54           HA       GLU  54   5.481  -6.021   3.398
  417   1HB   GLU  54          2HB       GLU  54   5.634  -6.272   5.976
  418   2HB   GLU  54          1HB       GLU  54   4.483  -7.583   5.767
  419   1HG   GLU  54          2HG       GLU  54   6.050  -8.712   4.263
  420   2HG   GLU  54          1HG       GLU  54   7.207  -7.403   4.496
  421    H    MET  55           H        MET  55   5.238  -8.146   2.381
  422    HA   MET  55           HA       MET  55   2.708  -8.545   1.195
  423   1HB   MET  55          2HB       MET  55   5.352  -9.568   0.916
  424   2HB   MET  55          1HB       MET  55   4.234 -10.924   0.959
  425   1HG   MET  55          2HG       MET  55   2.936  -9.888  -0.845
  426   2HG   MET  55          1HG       MET  55   4.103  -8.568  -0.908
  427   1HE   MET  55          1HE       MET  55   6.496  -8.847  -2.470
  428   2HE   MET  55          2HE       MET  55   7.354 -10.314  -1.999
  429   3HE   MET  55          3HE       MET  55   6.668  -9.259  -0.763
  430    H    LYS  56           H        LYS  56   0.969  -9.642   1.741
  431    HA   LYS  56           HA       LYS  56   0.948 -11.376   4.086
  432   1HB   LYS  56          2HB       LYS  56  -0.887  -9.573   3.551
  433   2HB   LYS  56          1HB       LYS  56  -1.458 -10.766   2.392
  434   1HG   LYS  56          2HG       LYS  56  -1.633 -12.410   4.240
  435   2HG   LYS  56          1HG       LYS  56  -1.193 -11.128   5.366
  436   1HD   LYS  56          2HD       LYS  56  -3.197  -9.882   4.152
  437   2HD   LYS  56          1HD       LYS  56  -3.707 -11.540   3.833
  438   1HE   LYS  56          2HE       LYS  56  -4.681 -10.565   5.902
  439   2HE   LYS  56          1HE       LYS  56  -3.769 -12.046   6.172
  440   1HZ   LYS  56          1HZ       LYS  56  -3.162  -9.309   7.002
  441   2HZ   LYS  56          2HZ       LYS  56  -1.854 -10.306   6.619
  442   3HZ   LYS  56          3HZ       LYS  56  -2.936 -10.765   7.830
  443    H    ASN  57           H        ASN  57   1.834 -11.620   1.066
  444    HA   ASN  57           HA       ASN  57   0.482 -14.169   0.492
  445   1HB   ASN  57          2HB       ASN  57   1.387 -11.980  -1.203
  446   2HB   ASN  57          1HB       ASN  57   2.028 -13.526  -1.742
  447   1HD2  ASN  57          1HD2      ASN  57   0.190 -11.906  -3.135
  448   2HD2  ASN  57          2HD2      ASN  57  -1.286 -12.791  -3.296
  449    H    HIS  58           H        HIS  58   2.141 -14.586   2.441
  450    HA   HIS  58           HA       HIS  58   4.867 -14.974   1.715
  451   1HB   HIS  58          2HB       HIS  58   3.279 -15.261   4.064
  452   2HB   HIS  58          1HB       HIS  58   4.097 -16.796   3.785
  453    HD1  HIS  58           1HD      HIS  58   4.595 -13.727   5.475
  454    HD2  HIS  58           2HD      HIS  58   7.038 -16.216   3.215
  455    HE1  HIS  58           1HE      HIS  58   6.952 -13.108   6.101
  456    HE2  HIS  58           2HE      HIS  58   8.410 -14.539   4.630
  457    H    ASP  59           H        ASP  59   5.569 -16.388   0.290
  458    HA   ASP  59           HA       ASP  59   5.697 -18.179  -1.105
  459   1HB   ASP  59          2HB       ASP  59   5.043 -19.314   1.573
  460   2HB   ASP  59          1HB       ASP  59   5.048 -20.401   0.188
  Start of MODEL    5
    1   1H    MET   1          1HT       MET   1   0.363  -9.160  -5.040
    2   2H    MET   1          2HT       MET   1   0.164 -10.521  -6.061
    3   3H    MET   1          3HT       MET   1   0.008 -10.693  -4.364
    4    HA   MET   1           HA       MET   1  -1.725  -9.045  -6.044
    5   1HB   MET   1          2HB       MET   1  -2.159 -11.786  -4.855
    6   2HB   MET   1          1HB       MET   1  -3.389 -10.844  -5.682
    7   1HG   MET   1          2HG       MET   1  -0.880 -11.452  -7.150
    8   2HG   MET   1          1HG       MET   1  -2.039 -12.752  -6.895
    9   1HE   MET   1          1HE       MET   1  -2.121 -11.269 -10.587
   10   2HE   MET   1          2HE       MET   1  -0.899 -11.784  -9.424
   11   3HE   MET   1          3HE       MET   1  -1.208 -10.066  -9.677
   12    H    GLU   2           H        GLU   2  -0.916 -10.357  -2.944
   13    HA   GLU   2           HA       GLU   2  -2.584  -8.284  -1.725
   14   1HB   GLU   2          2HB       GLU   2  -2.585 -11.164  -0.853
   15   2HB   GLU   2          1HB       GLU   2  -3.496  -9.855  -0.112
   16   1HG   GLU   2          2HG       GLU   2  -4.631  -9.523  -2.314
   17   2HG   GLU   2          1HG       GLU   2  -3.834 -10.994  -2.871
   18    H    ALA   3           H        ALA   3  -1.787  -7.287  -0.060
   19    HA   ALA   3           HA       ALA   3   0.476  -8.182   1.501
   20   1HB   ALA   3          1HB       ALA   3   0.409  -5.471   0.239
   21   2HB   ALA   3          2HB       ALA   3   1.281  -6.835  -0.462
   22   3HB   ALA   3          3HB       ALA   3   1.732  -6.223   1.128
   23    H    ILE   4           H        ILE   4   0.530  -7.330   3.589
   24    HA   ILE   4           HA       ILE   4  -1.847  -5.758   4.324
   25    HB   ILE   4           HB       ILE   4  -1.624  -7.931   5.477
   26   1HG1  ILE   4          2HG1      ILE   4  -1.096  -5.687   7.420
   27   2HG1  ILE   4          1HG1      ILE   4  -2.618  -5.854   6.553
   28   1HG2  ILE   4          1HG2      ILE   4   0.234  -7.925   7.306
   29   2HG2  ILE   4          2HG2      ILE   4   1.049  -6.815   6.204
   30   3HG2  ILE   4          3HG2      ILE   4   0.619  -8.439   5.665
   31   1HD1  ILE   4          1HD1      ILE   4  -3.280  -7.643   7.787
   32   2HD1  ILE   4          2HD1      ILE   4  -2.268  -6.825   8.977
   33   3HD1  ILE   4          3HD1      ILE   4  -1.630  -8.200   8.074
   34    H    ALA   5           H        ALA   5  -1.501  -4.007   5.908
   35    HA   ALA   5           HA       ALA   5   1.270  -3.035   5.822
   36   1HB   ALA   5          1HB       ALA   5  -1.111  -1.858   4.680
   37   2HB   ALA   5          2HB       ALA   5   0.562  -1.389   4.459
   38   3HB   ALA   5          3HB       ALA   5  -0.346  -0.758   5.817
   39    H    LYS   6           H        LYS   6   1.866  -3.269   8.044
   40    HA   LYS   6           HA       LYS   6  -0.152  -2.127   9.856
   41   1HB   LYS   6          2HB       LYS   6   0.817  -4.409  10.283
   42   2HB   LYS   6          1HB       LYS   6   2.364  -3.623  10.535
   43   1HG   LYS   6          2HG       LYS   6   1.872  -3.191  12.638
   44   2HG   LYS   6          1HG       LYS   6   0.355  -2.406  12.191
   45   1HD   LYS   6          2HD       LYS   6  -0.204  -4.234  13.610
   46   2HD   LYS   6          1HD       LYS   6  -0.643  -4.711  11.971
   47   1HE   LYS   6          2HE       LYS   6   0.744  -6.454  12.027
   48   2HE   LYS   6          1HE       LYS   6   2.084  -5.455  12.589
   49   1HZ   LYS   6          1HZ       LYS   6   1.834  -6.806  14.381
   50   2HZ   LYS   6          2HZ       LYS   6   0.179  -7.050  14.129
   51   3HZ   LYS   6          3HZ       LYS   6   0.724  -5.608  14.826
   52    H    HIS   7           H        HIS   7   0.195  -0.005   9.397
   53    HA   HIS   7           HA       HIS   7   1.872   1.247  11.087
   54   1HB   HIS   7          2HB       HIS   7   2.964   1.046   8.341
   55   2HB   HIS   7          1HB       HIS   7   2.924   2.683   8.985
   56    HD1  HIS   7           1HD      HIS   7   3.438   0.648  11.834
   57    HD2  HIS   7           2HD      HIS   7   5.854   1.872   8.682
   58    HE1  HIS   7           1HE      HIS   7   5.799   0.378  12.652
   59    HE2  HIS   7           2HE      HIS   7   7.239   1.225  10.766
   60    H    ASP   8           H        ASP   8   0.432   3.162  11.584
   61    HA   ASP   8           HA       ASP   8  -1.752   3.477   9.780
   62   1HB   ASP   8          2HB       ASP   8  -1.966   5.813  10.971
   63   2HB   ASP   8          1HB       ASP   8  -2.326   4.340  11.873
   64    H    PHE   9           H        PHE   9  -2.087   5.408   8.321
   65    HA   PHE   9           HA       PHE   9   0.117   7.149   7.885
   66   1HB   PHE   9          2HB       PHE   9   0.915   4.982   6.806
   67   2HB   PHE   9          1HB       PHE   9  -0.304   5.281   5.569
   68    HD1  PHE   9           1HD      PHE   9   0.327   6.478   3.687
   69    HD2  PHE   9           2HD      PHE   9   2.479   7.031   7.316
   70    HE1  PHE   9           1HE      PHE   9   1.921   7.948   2.521
   71    HE2  PHE   9           2HE      PHE   9   4.073   8.498   6.154
   72    HZ   PHE   9           HZ       PHE   9   3.794   8.960   3.755
   73    H    SER  10           H        SER  10  -0.003   8.585   6.239
   74    HA   SER  10           HA       SER  10  -2.483   8.783   4.774
   75   1HB   SER  10          2HB       SER  10  -1.555  11.305   6.126
   76   2HB   SER  10          1HB       SER  10  -3.151  10.901   5.494
   77    HG   SER  10           HG       SER  10  -1.975  10.225   7.933
   78    H    ALA  11           H        ALA  11  -1.535   8.512   2.878
   79    HA   ALA  11           HA       ALA  11   0.666   8.839   1.599
   80   1HB   ALA  11          1HB       ALA  11  -2.054   9.732   0.911
   81   2HB   ALA  11          2HB       ALA  11  -1.030   8.520   0.156
   82   3HB   ALA  11          3HB       ALA  11  -0.751  10.234  -0.158
   83    H    THR  12           H        THR  12   2.006  10.136   0.659
   84    HA   THR  12           HA       THR  12   2.231  12.856   1.711
   85    HB   THR  12           HB       THR  12   4.147  10.656   1.098
   86    HG1  THR  12           1HG      THR  12   4.474  12.936   2.757
   87   1HG2  THR  12          1HG2      THR  12   5.351  13.379   0.905
   88   2HG2  THR  12          2HG2      THR  12   4.681  12.653  -0.556
   89   3HG2  THR  12          3HG2      THR  12   5.950  11.823   0.339
   90    H    ALA  13           H        ALA  13   1.249  11.197  -0.988
   91    HA   ALA  13           HA       ALA  13   1.539  13.602  -2.661
   92   1HB   ALA  13          1HB       ALA  13   1.709  10.893  -3.930
   93   2HB   ALA  13          2HB       ALA  13   3.161  11.655  -3.280
   94   3HB   ALA  13          3HB       ALA  13   2.238  12.451  -4.555
   95    H    ASP  14           H        ASP  14  -0.234  13.777  -4.283
   96    HA   ASP  14           HA       ASP  14  -2.760  13.187  -3.240
   97   1HB   ASP  14          2HB       ASP  14  -1.749  14.676  -5.378
   98   2HB   ASP  14          1HB       ASP  14  -2.805  13.481  -6.125
   99    H    ASP  15           H        ASP  15  -0.837  11.556  -5.692
  100    HA   ASP  15           HA       ASP  15  -2.905   9.567  -6.154
  101   1HB   ASP  15          2HB       ASP  15  -1.109  10.631  -7.836
  102   2HB   ASP  15          1HB       ASP  15  -0.171   9.247  -7.283
  103    H    GLU  16           H        GLU  16  -1.484   9.936  -3.524
  104    HA   GLU  16           HA       GLU  16  -0.333   7.252  -3.254
  105   1HB   GLU  16          2HB       GLU  16   0.129   9.804  -1.748
  106   2HB   GLU  16          1HB       GLU  16   0.464   8.251  -1.000
  107   1HG   GLU  16          2HG       GLU  16   1.741   7.929  -3.298
  108   2HG   GLU  16          1HG       GLU  16   1.870   9.660  -3.151
  109    H    LEU  17           H        LEU  17  -1.674   5.845  -2.434
  110    HA   LEU  17           HA       LEU  17  -4.204   6.615  -1.348
  111   1HB   LEU  17          2HB       LEU  17  -3.537   4.534  -2.723
  112   2HB   LEU  17          1HB       LEU  17  -3.016   3.875  -1.183
  113    HG   LEU  17           HG       LEU  17  -5.541   4.739  -0.585
  114   1HD1  LEU  17          1HD1      LEU  17  -5.948   5.280  -2.958
  115   2HD1  LEU  17          2HD1      LEU  17  -7.017   4.014  -2.356
  116   3HD1  LEU  17          3HD1      LEU  17  -5.640   3.593  -3.373
  117   1HD2  LEU  17          1HD2      LEU  17  -5.540   2.640   0.129
  118   2HD2  LEU  17          2HD2      LEU  17  -4.116   2.298  -0.854
  119   3HD2  LEU  17          3HD2      LEU  17  -5.721   2.081  -1.527
  120    H    SER  18           H        SER  18  -4.726   6.964   0.706
  121    HA   SER  18           HA       SER  18  -2.827   6.377   2.838
  122   1HB   SER  18          2HB       SER  18  -5.546   7.683   3.086
  123   2HB   SER  18          1HB       SER  18  -4.237   7.717   4.267
  124    HG   SER  18           HG       SER  18  -3.061   9.005   2.883
  125    H    PHE  19           H        PHE  19  -3.667   5.472   4.878
  126    HA   PHE  19           HA       PHE  19  -5.938   3.785   4.951
  127   1HB   PHE  19          2HB       PHE  19  -4.754   1.606   4.968
  128   2HB   PHE  19          1HB       PHE  19  -4.607   2.416   3.408
  129    HD1  PHE  19           1HD      PHE  19  -2.846   1.592   6.529
  130    HD2  PHE  19           2HD      PHE  19  -2.492   3.116   2.575
  131    HE1  PHE  19           1HE      PHE  19  -0.399   1.450   6.701
  132    HE2  PHE  19           2HE      PHE  19  -0.039   2.974   2.739
  133    HZ   PHE  19           HZ       PHE  19   1.008   2.139   4.805
  134    H    ARG  20           H        ARG  20  -5.555   2.048   6.809
  135    HA   ARG  20           HA       ARG  20  -4.389   3.569   9.045
  136   1HB   ARG  20          2HB       ARG  20  -6.954   2.304   8.702
  137   2HB   ARG  20          1HB       ARG  20  -6.115   1.588  10.072
  138   1HG   ARG  20          2HG       ARG  20  -7.461   3.406  10.851
  139   2HG   ARG  20          1HG       ARG  20  -5.762   3.860  10.989
  140   1HD   ARG  20          2HD       ARG  20  -6.268   5.716   9.870
  141   2HD   ARG  20          1HD       ARG  20  -6.507   4.705   8.447
  142    HE   ARG  20           HE       ARG  20  -8.598   5.723  10.230
  143   1HH1  ARG  20          1HH1      ARG  20  -7.705   4.040   7.289
  144   2HH1  ARG  20          2HH1      ARG  20  -9.306   4.097   6.634
  145   1HH2  ARG  20          1HH2      ARG  20 -10.689   5.786   9.356
  146   2HH2  ARG  20          2HH2      ARG  20 -10.993   5.091   7.800
  147    H    LYS  21           H        LYS  21  -3.668   2.089  10.957
  148    HA   LYS  21           HA       LYS  21  -1.708   0.296  10.012
  149   1HB   LYS  21          2HB       LYS  21  -1.520  -0.368  12.405
  150   2HB   LYS  21          1HB       LYS  21  -1.476   1.375  12.177
  151   1HG   LYS  21          2HG       LYS  21  -3.701   1.623  12.952
  152   2HG   LYS  21          1HG       LYS  21  -3.975  -0.120  12.910
  153   1HD   LYS  21          2HD       LYS  21  -1.698   0.388  14.538
  154   2HD   LYS  21          1HD       LYS  21  -2.998   1.466  15.054
  155   1HE   LYS  21          2HE       LYS  21  -3.758  -1.336  14.526
  156   2HE   LYS  21          1HE       LYS  21  -2.718  -1.067  15.923
  157   1HZ   LYS  21          1HZ       LYS  21  -4.395   0.703  16.570
  158   2HZ   LYS  21          2HZ       LYS  21  -4.886  -0.907  16.730
  159   3HZ   LYS  21          3HZ       LYS  21  -5.423   0.013  15.417
  160    H    THR  22           H        THR  22  -1.778  -1.842   9.695
  161    HA   THR  22           HA       THR  22  -2.401  -4.001   9.693
  162    HB   THR  22           HB       THR  22  -4.955  -3.486  11.129
  163    HG1  THR  22           1HG      THR  22  -2.403  -3.482  12.365
  164   1HG2  THR  22          1HG2      THR  22  -4.775  -5.609  11.838
  165   2HG2  THR  22          2HG2      THR  22  -3.021  -5.522  11.996
  166   3HG2  THR  22          3HG2      THR  22  -3.752  -5.767  10.410
  167    H    GLN  23           H        GLN  23  -3.856  -1.670   7.941
  168    HA   GLN  23           HA       GLN  23  -5.984  -3.431   7.041
  169   1HB   GLN  23          2HB       GLN  23  -5.345  -0.622   6.204
  170   2HB   GLN  23          1HB       GLN  23  -6.521  -1.621   5.358
  171   1HG   GLN  23          2HG       GLN  23  -7.627  -1.947   7.632
  172   2HG   GLN  23          1HG       GLN  23  -6.618  -0.611   8.181
  173   1HE2  GLN  23          1HE2      GLN  23  -8.759  -1.427   5.476
  174   2HE2  GLN  23          2HE2      GLN  23  -9.551   0.107   5.413
  175    H    ILE  24           H        ILE  24  -6.167  -4.403   5.122
  176    HA   ILE  24           HA       ILE  24  -3.679  -5.192   3.920
  177    HB   ILE  24           HB       ILE  24  -5.457  -6.801   4.411
  178   1HG1  ILE  24          2HG1      ILE  24  -5.631  -7.685   1.907
  179   2HG1  ILE  24          1HG1      ILE  24  -4.399  -6.451   1.653
  180   1HG2  ILE  24          1HG2      ILE  24  -7.327  -6.704   2.486
  181   2HG2  ILE  24          2HG2      ILE  24  -7.042  -4.981   2.728
  182   3HG2  ILE  24          3HG2      ILE  24  -7.526  -5.992   4.086
  183   1HD1  ILE  24          1HD1      ILE  24  -4.086  -8.411   3.878
  184   2HD1  ILE  24          2HD1      ILE  24  -2.858  -7.543   2.964
  185   3HD1  ILE  24          3HD1      ILE  24  -3.714  -8.891   2.222
  186    H    LEU  25           H        LEU  25  -2.809  -4.555   2.038
  187    HA   LEU  25           HA       LEU  25  -4.428  -2.774   0.345
  188   1HB   LEU  25          2HB       LEU  25  -1.431  -2.747   0.599
  189   2HB   LEU  25          1HB       LEU  25  -2.429  -1.605  -0.281
  190    HG   LEU  25           HG       LEU  25  -2.574  -1.985   2.708
  191   1HD1  LEU  25          1HD1      LEU  25  -0.410  -0.980   1.445
  192   2HD1  LEU  25          2HD1      LEU  25  -0.958  -0.459   3.039
  193   3HD1  LEU  25          3HD1      LEU  25  -1.398   0.472   1.607
  194   1HD2  LEU  25          1HD2      LEU  25  -3.550   0.417   2.366
  195   2HD2  LEU  25          2HD2      LEU  25  -4.569  -1.003   2.126
  196   3HD2  LEU  25          3HD2      LEU  25  -3.878  -0.168   0.735
  197    H    LYS  26           H        LYS  26  -4.398  -2.996  -1.871
  198    HA   LYS  26           HA       LYS  26  -3.769  -5.629  -2.892
  199   1HB   LYS  26          2HB       LYS  26  -5.336  -3.272  -3.649
  200   2HB   LYS  26          1HB       LYS  26  -4.638  -4.130  -5.007
  201   1HG   LYS  26          2HG       LYS  26  -6.814  -4.988  -4.662
  202   2HG   LYS  26          1HG       LYS  26  -5.680  -6.218  -4.099
  203   1HD   LYS  26          2HD       LYS  26  -6.306  -4.442  -1.945
  204   2HD   LYS  26          1HD       LYS  26  -7.803  -5.021  -2.677
  205   1HE   LYS  26          2HE       LYS  26  -5.741  -7.073  -2.268
  206   2HE   LYS  26          1HE       LYS  26  -6.385  -6.361  -0.790
  207   1HZ   LYS  26          1HZ       LYS  26  -8.059  -7.512  -2.954
  208   2HZ   LYS  26          2HZ       LYS  26  -8.588  -6.971  -1.441
  209   3HZ   LYS  26          3HZ       LYS  26  -7.609  -8.345  -1.552
  210    H    ILE  27           H        ILE  27  -1.514  -5.829  -3.211
  211    HA   ILE  27           HA       ILE  27   0.015  -3.732  -4.499
  212    HB   ILE  27           HB       ILE  27   0.932  -6.564  -4.158
  213   1HG1  ILE  27          2HG1      ILE  27   0.149  -5.845  -1.987
  214   2HG1  ILE  27          1HG1      ILE  27   1.909  -5.817  -2.004
  215   1HG2  ILE  27          1HG2      ILE  27   2.914  -5.813  -4.842
  216   2HG2  ILE  27          2HG2      ILE  27   2.835  -4.405  -3.785
  217   3HG2  ILE  27          3HG2      ILE  27   2.070  -4.359  -5.373
  218   1HD1  ILE  27          1HD1      ILE  27   0.442  -3.839  -1.013
  219   2HD1  ILE  27          2HD1      ILE  27   0.533  -3.297  -2.689
  220   3HD1  ILE  27          3HD1      ILE  27   2.012  -3.576  -1.771
  221    H    LEU  28           H        LEU  28   0.464  -3.525  -6.641
  222    HA   LEU  28           HA       LEU  28  -0.027  -5.798  -8.410
  223   1HB   LEU  28          2HB       LEU  28  -1.321  -3.151  -8.980
  224   2HB   LEU  28          1HB       LEU  28  -1.559  -4.671  -9.820
  225    HG   LEU  28           HG       LEU  28  -2.247  -5.010  -7.057
  226   1HD1  LEU  28          1HD1      LEU  28  -3.846  -3.416  -6.647
  227   2HD1  LEU  28          2HD1      LEU  28  -3.960  -2.947  -8.343
  228   3HD1  LEU  28          3HD1      LEU  28  -2.551  -2.479  -7.389
  229   1HD2  LEU  28          1HD2      LEU  28  -3.149  -6.482  -8.632
  230   2HD2  LEU  28          2HD2      LEU  28  -3.696  -5.168  -9.674
  231   3HD2  LEU  28          3HD2      LEU  28  -4.505  -5.467  -8.135
  232    H    ASN  29           H        ASN  29   1.643  -2.770  -7.846
  233    HA   ASN  29           HA       ASN  29   3.321  -3.500 -10.093
  234   1HB   ASN  29          2HB       ASN  29   1.839  -2.073 -11.274
  235   2HB   ASN  29          1HB       ASN  29   1.822  -0.895  -9.971
  236   1HD2  ASN  29          1HD2      ASN  29   3.551   0.520  -9.732
  237   2HD2  ASN  29          2HD2      ASN  29   4.694   0.782 -10.996
  238    H    MET  30           H        MET  30   5.063  -3.726  -9.282
  239    HA   MET  30           HA       MET  30   6.347  -1.729  -7.551
  240   1HB   MET  30          2HB       MET  30   7.527  -3.465  -6.405
  241   2HB   MET  30          1HB       MET  30   5.792  -3.653  -6.212
  242   1HG   MET  30          2HG       MET  30   5.725  -5.599  -7.366
  243   2HG   MET  30          1HG       MET  30   7.082  -5.169  -8.399
  244   1HE   MET  30          1HE       MET  30   7.306  -8.350  -7.116
  245   2HE   MET  30          2HE       MET  30   5.872  -7.532  -6.496
  246   3HE   MET  30          3HE       MET  30   7.065  -8.190  -5.377
  247    H    GLU  31           H        GLU  31   8.161  -0.991  -8.384
  248    HA   GLU  31           HA       GLU  31  10.268  -2.161  -9.265
  249   1HB   GLU  31          2HB       GLU  31  10.409  -2.351 -11.691
  250   2HB   GLU  31          1HB       GLU  31   9.182  -3.421 -11.033
  251   1HG   GLU  31          2HG       GLU  31   7.427  -2.061 -11.815
  252   2HG   GLU  31          1HG       GLU  31   8.519  -0.715 -12.138
  253    H    ASP  32           H        ASP  32   8.277   0.445  -9.870
  254    HA   ASP  32           HA       ASP  32  10.319   2.188 -10.872
  255   1HB   ASP  32          2HB       ASP  32   7.442   2.359 -10.311
  256   2HB   ASP  32          1HB       ASP  32   8.332   3.844  -9.989
  257    H    ASP  33           H        ASP  33   9.241   1.173  -7.748
  258    HA   ASP  33           HA       ASP  33  11.201   2.984  -6.618
  259   1HB   ASP  33          2HB       ASP  33   8.617   3.846  -6.727
  260   2HB   ASP  33          1HB       ASP  33   8.678   3.120  -5.124
  261    H    SER  34           H        SER  34  12.414   1.277  -5.664
  262    HA   SER  34           HA       SER  34  11.276  -0.999  -4.445
  263   1HB   SER  34          2HB       SER  34  13.507  -1.343  -3.489
  264   2HB   SER  34          1HB       SER  34  13.599  -0.917  -5.196
  265    HG   SER  34           HG       SER  34  14.929   0.226  -3.362
  266    H    ASN  35           H        ASN  35  10.204   1.694  -3.519
  267    HA   ASN  35           HA       ASN  35  10.357   1.155  -0.620
  268   1HB   ASN  35          2HB       ASN  35  11.906   3.075  -1.844
  269   2HB   ASN  35          1HB       ASN  35  10.504   3.986  -1.289
  270   1HD2  ASN  35          1HD2      ASN  35  11.958   5.047   0.155
  271   2HD2  ASN  35          2HD2      ASN  35  12.405   4.293   1.644
  272    H    TRP  36           H        TRP  36   8.716   2.534  -3.355
  273    HA   TRP  36           HA       TRP  36   6.326   2.953  -1.714
  274   1HB   TRP  36          2HB       TRP  36   7.276   4.669  -4.025
  275   2HB   TRP  36          1HB       TRP  36   5.751   4.870  -3.169
  276    HD1  TRP  36           HD       TRP  36   9.396   5.769  -2.980
  277    HE1  TRP  36           1HE      TRP  36   9.845   7.193  -0.889
  278    HE3  TRP  36           3HE      TRP  36   4.905   5.214  -0.652
  279    HZ2  TRP  36           2HZ      TRP  36   8.473   7.978   1.448
  280    HZ3  TRP  36           3HZ      TRP  36   4.537   6.326   1.516
  281    HH2  TRP  36           HH       TRP  36   6.290   7.687   2.539
  282    H    TYR  37           H        TYR  37   4.922   1.416  -2.310
  283    HA   TYR  37           HA       TYR  37   5.096   0.251  -4.983
  284   1HB   TYR  37          2HB       TYR  37   3.961  -0.580  -2.359
  285   2HB   TYR  37          1HB       TYR  37   3.240  -1.259  -3.809
  286    HD1  TYR  37           1HD      TYR  37   6.712  -0.584  -4.293
  287    HD2  TYR  37           2HD      TYR  37   4.002  -3.394  -2.604
  288    HE1  TYR  37           1HE      TYR  37   8.460  -2.311  -4.374
  289    HE2  TYR  37           2HE      TYR  37   5.738  -5.130  -2.679
  290    HH   TYR  37           HH       TYR  37   7.848  -5.620  -3.219
  291    H    ARG  38           H        ARG  38   3.296  -0.099  -6.334
  292    HA   ARG  38           HA       ARG  38   1.213   1.947  -6.059
  293   1HB   ARG  38          2HB       ARG  38   2.563   1.703  -8.239
  294   2HB   ARG  38          1HB       ARG  38   1.741   0.166  -8.457
  295   1HG   ARG  38          2HG       ARG  38   0.162   1.285  -9.538
  296   2HG   ARG  38          1HG       ARG  38  -0.313   1.958  -7.978
  297   1HD   ARG  38          2HD       ARG  38   0.059   3.681  -9.709
  298   2HD   ARG  38          1HD       ARG  38   1.112   3.866  -8.311
  299    HE   ARG  38           HE       ARG  38   2.934   3.127  -9.618
  300   1HH1  ARG  38          1HH1      ARG  38  -0.008   3.453 -11.487
  301   2HH1  ARG  38          2HH1      ARG  38   0.821   3.465 -13.004
  302   1HH2  ARG  38          1HH2      ARG  38   4.003   3.158 -11.617
  303   2HH2  ARG  38          2HH2      ARG  38   3.084   3.297 -13.078
  304    H    ALA  39           H        ALA  39  -0.376   1.173  -4.872
  305    HA   ALA  39           HA       ALA  39  -1.226  -1.614  -5.257
  306   1HB   ALA  39          1HB       ALA  39  -2.023  -0.165  -2.802
  307   2HB   ALA  39          2HB       ALA  39  -0.310  -0.553  -2.960
  308   3HB   ALA  39          3HB       ALA  39  -1.515  -1.841  -3.006
  309    H    GLU  40           H        GLU  40  -3.550  -1.946  -4.543
  310    HA   GLU  40           HA       GLU  40  -5.182   0.237  -5.643
  311   1HB   GLU  40          2HB       GLU  40  -4.917  -1.760  -7.155
  312   2HB   GLU  40          1HB       GLU  40  -5.821  -2.691  -5.972
  313   1HG   GLU  40          2HG       GLU  40  -7.563  -0.739  -6.296
  314   2HG   GLU  40          1HG       GLU  40  -6.727  -0.572  -7.839
  315    H    LEU  41           H        LEU  41  -7.252   0.551  -4.800
  316    HA   LEU  41           HA       LEU  41  -8.246  -1.076  -2.657
  317   1HB   LEU  41          2HB       LEU  41  -6.370   0.429  -1.737
  318   2HB   LEU  41          1HB       LEU  41  -7.513   1.742  -1.951
  319    HG   LEU  41           HG       LEU  41  -8.792  -0.385  -0.514
  320   1HD1  LEU  41          1HD1      LEU  41  -7.205  -1.203   0.799
  321   2HD1  LEU  41          2HD1      LEU  41  -6.967   0.412   1.468
  322   3HD1  LEU  41          3HD1      LEU  41  -6.003  -0.126   0.093
  323   1HD2  LEU  41          1HD2      LEU  41  -9.769   1.471   0.216
  324   2HD2  LEU  41          2HD2      LEU  41  -8.469   2.475  -0.425
  325   3HD2  LEU  41          3HD2      LEU  41  -8.335   1.787   1.193
  326    H    ASP  42           H        ASP  42 -10.384  -0.880  -2.556
  327    HA   ASP  42           HA       ASP  42 -12.478  -0.300  -3.239
  328   1HB   ASP  42          2HB       ASP  42 -11.346   1.784  -1.748
  329   2HB   ASP  42          1HB       ASP  42 -12.147   2.574  -3.101
  330    H    GLY  43           H        GLY  43 -10.109  -0.039  -5.313
  331   1HA   GLY  43          2HA       GLY  43 -10.550  -0.011  -7.663
  332   2HA   GLY  43          1HA       GLY  43 -11.812   1.178  -7.374
  333    H    LYS  44           H        LYS  44  -9.138   1.998  -5.516
  334    HA   LYS  44           HA       LYS  44  -8.323   3.958  -7.547
  335   1HB   LYS  44          2HB       LYS  44  -7.847   4.084  -4.556
  336   2HB   LYS  44          1HB       LYS  44  -7.592   5.377  -5.719
  337   1HG   LYS  44          2HG       LYS  44 -10.295   4.176  -5.239
  338   2HG   LYS  44          1HG       LYS  44  -9.662   5.503  -4.263
  339   1HD   LYS  44          2HD       LYS  44  -9.297   6.074  -7.053
  340   2HD   LYS  44          1HD       LYS  44 -10.983   5.663  -6.737
  341   1HE   LYS  44          2HE       LYS  44 -11.348   7.540  -5.563
  342   2HE   LYS  44          1HE       LYS  44  -9.782   7.458  -4.757
  343   1HZ   LYS  44          1HZ       LYS  44  -9.248   9.171  -6.054
  344   2HZ   LYS  44          2HZ       LYS  44 -10.563   8.932  -7.092
  345   3HZ   LYS  44          3HZ       LYS  44  -9.136   8.052  -7.320
  346    H    GLU  45           H        GLU  45  -6.234   3.990  -8.265
  347    HA   GLU  45           HA       GLU  45  -4.394   2.040  -7.055
  348   1HB   GLU  45          2HB       GLU  45  -4.665   1.509  -9.347
  349   2HB   GLU  45          1HB       GLU  45  -4.576   3.195  -9.833
  350   1HG   GLU  45          2HG       GLU  45  -2.134   2.543  -8.546
  351   2HG   GLU  45          1HG       GLU  45  -2.496   1.264  -9.704
  352    H    GLY  46           H        GLY  46  -2.938   2.981  -5.641
  353   1HA   GLY  46          2HA       GLY  46  -1.845   5.581  -6.504
  354   2HA   GLY  46          1HA       GLY  46  -2.511   5.410  -4.895
  355    H    LEU  47           H        LEU  47  -0.199   6.378  -4.840
  356    HA   LEU  47           HA       LEU  47   1.869   4.333  -4.651
  357   1HB   LEU  47          2HB       LEU  47   1.789   7.216  -4.993
  358   2HB   LEU  47          1HB       LEU  47   2.907   6.748  -3.729
  359    HG   LEU  47           HG       LEU  47   3.700   5.057  -5.663
  360   1HD1  LEU  47          1HD1      LEU  47   2.742   7.535  -7.089
  361   2HD1  LEU  47          2HD1      LEU  47   2.042   5.923  -7.252
  362   3HD1  LEU  47          3HD1      LEU  47   3.694   6.227  -7.794
  363   1HD2  LEU  47          1HD2      LEU  47   5.532   6.565  -6.002
  364   2HD2  LEU  47          2HD2      LEU  47   5.013   6.706  -4.323
  365   3HD2  LEU  47          3HD2      LEU  47   4.556   7.944  -5.494
  366    H    ILE  48           H        ILE  48   2.751   3.720  -2.645
  367    HA   ILE  48           HA       ILE  48   1.812   5.092  -0.235
  368    HB   ILE  48           HB       ILE  48   1.103   2.957   0.813
  369   1HG1  ILE  48          2HG1      ILE  48   0.447   1.195  -1.056
  370   2HG1  ILE  48          1HG1      ILE  48   1.806   1.930  -1.900
  371   1HG2  ILE  48          1HG2      ILE  48  -0.960   3.542   0.278
  372   2HG2  ILE  48          2HG2      ILE  48  -0.775   2.877  -1.342
  373   3HG2  ILE  48          3HG2      ILE  48  -0.314   4.545  -1.018
  374   1HD1  ILE  48          1HD1      ILE  48   3.034   0.422  -0.815
  375   2HD1  ILE  48          2HD1      ILE  48   1.765   0.106   0.369
  376   3HD1  ILE  48          3HD1      ILE  48   2.846   1.480   0.584
  377    HA   PRO  49           HA       PRO  49   5.688   4.053   1.535
  378   1HB   PRO  49          2HB       PRO  49   4.941   3.274   4.068
  379   2HB   PRO  49          1HB       PRO  49   5.173   4.944   3.549
  380   1HG   PRO  49          2HG       PRO  49   2.652   3.381   3.852
  381   2HG   PRO  49          1HG       PRO  49   2.966   5.090   4.201
  382   1HD   PRO  49          2HD       PRO  49   1.662   4.269   1.977
  383   2HD   PRO  49          1HD       PRO  49   2.681   5.719   2.004
  384    H    SER  50           H        SER  50   6.665   2.198   0.831
  385    HA   SER  50           HA       SER  50   5.358  -0.361   0.949
  386   1HB   SER  50          2HB       SER  50   7.206   0.520  -0.736
  387   2HB   SER  50          1HB       SER  50   8.311  -0.109   0.486
  388    HG   SER  50           HG       SER  50   6.592  -1.451  -1.229
  389    H    ASN  51           H        ASN  51   7.636   1.362   2.935
  390    HA   ASN  51           HA       ASN  51   8.491  -0.845   4.483
  391   1HB   ASN  51          2HB       ASN  51   8.978   1.959   4.324
  392   2HB   ASN  51          1HB       ASN  51   8.606   1.570   6.000
  393   1HD2  ASN  51          1HD2      ASN  51  10.163   0.789   7.217
  394   2HD2  ASN  51          2HD2      ASN  51  11.676   0.176   6.651
  395    H    TYR  52           H        TYR  52   5.517   0.768   4.407
  396    HA   TYR  52           HA       TYR  52   4.867   0.300   7.220
  397   1HB   TYR  52          2HB       TYR  52   3.340   1.602   4.961
  398   2HB   TYR  52          1HB       TYR  52   2.702   1.404   6.584
  399    HD1  TYR  52           1HD      TYR  52   6.169   2.407   5.601
  400    HD2  TYR  52           2HD      TYR  52   2.463   3.607   7.314
  401    HE1  TYR  52           1HE      TYR  52   7.168   4.556   6.245
  402    HE2  TYR  52           2HE      TYR  52   3.461   5.752   7.968
  403    HH   TYR  52           HH       TYR  52   5.289   7.193   7.325
  404    H    ILE  53           H        ILE  53   4.901  -1.536   4.474
  405    HA   ILE  53           HA       ILE  53   2.967  -3.315   5.648
  406    HB   ILE  53           HB       ILE  53   1.349  -2.941   4.180
  407   1HG1  ILE  53          2HG1      ILE  53   2.496  -4.727   2.807
  408   2HG1  ILE  53          1HG1      ILE  53   1.383  -3.672   1.956
  409   1HG2  ILE  53          1HG2      ILE  53   1.595  -1.212   2.383
  410   2HG2  ILE  53          2HG2      ILE  53   3.277  -1.053   2.891
  411   3HG2  ILE  53          3HG2      ILE  53   1.980  -0.687   4.023
  412   1HD1  ILE  53          1HD1      ILE  53   4.361  -3.306   1.972
  413   2HD1  ILE  53          2HD1      ILE  53   3.175  -2.427   1.012
  414   3HD1  ILE  53          3HD1      ILE  53   3.451  -4.143   0.716
  415    H    GLU  54           H        GLU  54   2.993  -5.480   4.557
  416    HA   GLU  54           HA       GLU  54   5.448  -6.178   3.097
  417   1HB   GLU  54          2HB       GLU  54   5.844  -6.486   5.541
  418   2HB   GLU  54          1HB       GLU  54   4.475  -7.585   5.595
  419   1HG   GLU  54          2HG       GLU  54   5.979  -9.193   5.282
  420   2HG   GLU  54          1HG       GLU  54   6.001  -8.667   3.604
  421    H    MET  55           H        MET  55   5.244  -8.291   2.009
  422    HA   MET  55           HA       MET  55   2.743  -8.712   0.835
  423   1HB   MET  55          2HB       MET  55   4.968 -10.736   1.078
  424   2HB   MET  55          1HB       MET  55   3.660 -10.750  -0.096
  425   1HG   MET  55          2HG       MET  55   4.818  -9.484  -1.485
  426   2HG   MET  55          1HG       MET  55   5.052  -8.254  -0.247
  427   1HE   MET  55          1HE       MET  55   7.768 -11.714  -1.397
  428   2HE   MET  55          2HE       MET  55   7.323 -10.514  -2.610
  429   3HE   MET  55          3HE       MET  55   6.071 -11.454  -1.798
  430    H    LYS  56           H        LYS  56   1.001  -9.662   1.409
  431    HA   LYS  56           HA       LYS  56   0.791 -11.198   3.876
  432   1HB   LYS  56          2HB       LYS  56  -0.916  -9.362   3.123
  433   2HB   LYS  56          1HB       LYS  56  -1.470 -10.575   1.978
  434   1HG   LYS  56          2HG       LYS  56  -2.866 -10.600   3.935
  435   2HG   LYS  56          1HG       LYS  56  -1.941 -12.101   3.851
  436   1HD   LYS  56          2HD       LYS  56  -0.317 -11.126   5.457
  437   2HD   LYS  56          1HD       LYS  56  -1.359  -9.711   5.598
  438   1HE   LYS  56          2HE       LYS  56  -2.813 -12.194   5.982
  439   2HE   LYS  56          1HE       LYS  56  -1.488 -12.011   7.130
  440   1HZ   LYS  56          1HZ       LYS  56  -2.497 -10.302   8.153
  441   2HZ   LYS  56          2HZ       LYS  56  -3.903 -10.966   7.488
  442   3HZ   LYS  56          3HZ       LYS  56  -3.142  -9.662   6.726
  443    H    ASN  57           H        ASN  57   1.838 -11.745   0.972
  444    HA   ASN  57           HA       ASN  57   0.409 -14.280   0.540
  445   1HB   ASN  57          2HB       ASN  57   2.068 -12.592  -1.346
  446   2HB   ASN  57          1HB       ASN  57   1.475 -14.201  -1.745
  447   1HD2  ASN  57          1HD2      ASN  57   0.479 -12.977  -3.523
  448   2HD2  ASN  57          2HD2      ASN  57  -1.070 -12.261  -3.253
  449    H    HIS  58           H        HIS  58   2.084 -14.436   2.614
  450    HA   HIS  58           HA       HIS  58   4.031 -16.293   1.627
  451   1HB   HIS  58          2HB       HIS  58   5.006 -13.859   1.578
  452   2HB   HIS  58          1HB       HIS  58   5.204 -14.107   3.310
  453    HD1  HIS  58           1HD      HIS  58   7.555 -13.824   1.183
  454    HD2  HIS  58           2HD      HIS  58   6.149 -17.365   2.841
  455    HE1  HIS  58           1HE      HIS  58   9.453 -15.464   0.980
  456    HE2  HIS  58           2HE      HIS  58   8.560 -17.614   1.943
  457    H    ASP  59           H        ASP  59   1.763 -15.624   3.790
  458    HA   ASP  59           HA       ASP  59   3.110 -16.827   6.099
  459   1HB   ASP  59          2HB       ASP  59   0.404 -15.492   5.842
  460   2HB   ASP  59          1HB       ASP  59   1.018 -16.218   7.325
  Start of MODEL    6
    1   1H    MET   1          1HT       MET   1  -0.156 -10.585  -4.100
    2   2H    MET   1          2HT       MET   1   0.178  -9.656  -5.497
    3   3H    MET   1          3HT       MET   1  -0.233 -11.311  -5.649
    4    HA   MET   1           HA       MET   1  -1.909  -9.336  -5.987
    5   1HB   MET   1          2HB       MET   1  -3.677 -11.054  -5.600
    6   2HB   MET   1          1HB       MET   1  -2.331 -11.645  -6.562
    7   1HG   MET   1          2HG       MET   1  -1.396 -12.582  -4.395
    8   2HG   MET   1          1HG       MET   1  -2.980 -12.249  -3.699
    9   1HE   MET   1          1HE       MET   1  -1.738 -14.921  -3.526
   10   2HE   MET   1          2HE       MET   1  -2.743 -16.157  -4.284
   11   3HE   MET   1          3HE       MET   1  -3.459 -15.009  -3.152
   12    H    GLU   2           H        GLU   2  -1.209 -10.601  -2.849
   13    HA   GLU   2           HA       GLU   2  -2.821  -8.417  -1.743
   14   1HB   GLU   2          2HB       GLU   2  -2.692 -11.122  -0.408
   15   2HB   GLU   2          1HB       GLU   2  -3.680  -9.744   0.051
   16   1HG   GLU   2          2HG       GLU   2  -5.050  -9.978  -1.875
   17   2HG   GLU   2          1HG       GLU   2  -3.966 -11.178  -2.571
   18    H    ALA   3           H        ALA   3  -2.004  -7.353  -0.013
   19    HA   ALA   3           HA       ALA   3   0.470  -8.127   1.219
   20   1HB   ALA   3          1HB       ALA   3   0.128  -5.628  -0.400
   21   2HB   ALA   3          2HB       ALA   3   1.317  -6.909  -0.634
   22   3HB   ALA   3          3HB       ALA   3   1.423  -5.854   0.775
   23    H    ILE   4           H        ILE   4   0.647  -7.356   3.330
   24    HA   ILE   4           HA       ILE   4  -1.648  -5.772   4.225
   25    HB   ILE   4           HB       ILE   4  -0.711  -8.184   5.181
   26   1HG1  ILE   4          2HG1      ILE   4  -2.958  -7.095   5.402
   27   2HG1  ILE   4          1HG1      ILE   4  -2.420  -7.981   6.820
   28   1HG2  ILE   4          1HG2      ILE   4   0.855  -7.934   6.717
   29   2HG2  ILE   4          2HG2      ILE   4  -0.255  -6.946   7.662
   30   3HG2  ILE   4          3HG2      ILE   4   0.837  -6.186   6.512
   31   1HD1  ILE   4          1HD1      ILE   4  -1.559  -5.363   7.226
   32   2HD1  ILE   4          2HD1      ILE   4  -2.906  -6.182   8.013
   33   3HD1  ILE   4          3HD1      ILE   4  -3.185  -5.229   6.558
   34    H    ALA   5           H        ALA   5  -1.188  -4.172   5.922
   35    HA   ALA   5           HA       ALA   5   1.576  -3.329   6.104
   36   1HB   ALA   5          1HB       ALA   5   1.162  -1.087   5.275
   37   2HB   ALA   5          2HB       ALA   5  -0.545  -1.463   5.052
   38   3HB   ALA   5          3HB       ALA   5   0.669  -2.265   4.059
   39    H    LYS   6           H        LYS   6   1.819  -3.149   8.310
   40    HA   LYS   6           HA       LYS   6  -0.454  -1.818   9.634
   41   1HB   LYS   6          2HB       LYS   6   1.194  -2.942  11.631
   42   2HB   LYS   6          1HB       LYS   6  -0.429  -3.430  11.175
   43   1HG   LYS   6          2HG       LYS   6   0.971  -5.348  11.148
   44   2HG   LYS   6          1HG       LYS   6   0.569  -4.947   9.476
   45   1HD   LYS   6          2HD       LYS   6   2.885  -3.523   9.935
   46   2HD   LYS   6          1HD       LYS   6   3.154  -5.029  10.815
   47   1HE   LYS   6          2HE       LYS   6   2.938  -6.330   8.899
   48   2HE   LYS   6          1HE       LYS   6   2.104  -5.054   8.013
   49   1HZ   LYS   6          1HZ       LYS   6   4.083  -3.894   7.685
   50   2HZ   LYS   6          2HZ       LYS   6   4.508  -5.506   7.429
   51   3HZ   LYS   6          3HZ       LYS   6   4.912  -4.755   8.882
   52    H    HIS   7           H        HIS   7   0.101   0.184   9.304
   53    HA   HIS   7           HA       HIS   7   1.510   1.337  11.317
   54   1HB   HIS   7          2HB       HIS   7   2.878   1.308   8.640
   55   2HB   HIS   7          1HB       HIS   7   2.961   2.778   9.600
   56    HD1  HIS   7           1HD      HIS   7   3.048   0.845  12.303
   57    HD2  HIS   7           2HD      HIS   7   5.690   1.032   9.103
   58    HE1  HIS   7           1HE      HIS   7   5.224  -0.063  13.174
   59    HE2  HIS   7           2HE      HIS   7   6.769  -0.057  11.187
   60    H    ASP   8           H        ASP   8   0.116   3.236  11.626
   61    HA   ASP   8           HA       ASP   8  -1.932   3.632   9.718
   62   1HB   ASP   8          2HB       ASP   8  -2.381   5.813  10.862
   63   2HB   ASP   8          1HB       ASP   8  -2.289   4.459  11.984
   64    H    PHE   9           H        PHE   9  -2.150   5.520   8.205
   65    HA   PHE   9           HA       PHE   9   0.134   7.175   7.769
   66   1HB   PHE   9          2HB       PHE   9   1.039   5.148   6.717
   67   2HB   PHE   9          1HB       PHE   9  -0.366   5.068   5.663
   68    HD1  PHE   9           1HD      PHE   9   2.216   7.566   6.672
   69    HD2  PHE   9           2HD      PHE   9  -0.049   5.820   3.519
   70    HE1  PHE   9           1HE      PHE   9   3.385   8.999   5.045
   71    HE2  PHE   9           2HE      PHE   9   1.116   7.247   1.891
   72    HZ   PHE   9           HZ       PHE   9   2.833   8.841   2.651
   73    H    SER  10           H        SER  10  -0.019   8.701   6.279
   74    HA   SER  10           HA       SER  10  -2.457   8.906   4.726
   75   1HB   SER  10          2HB       SER  10  -2.545  10.243   6.994
   76   2HB   SER  10          1HB       SER  10  -1.552  11.399   6.107
   77    HG   SER  10           HG       SER  10  -3.607  11.997   5.682
   78    H    ALA  11           H        ALA  11  -1.519   8.746   2.839
   79    HA   ALA  11           HA       ALA  11   0.675   9.075   1.549
   80   1HB   ALA  11          1HB       ALA  11  -2.034  10.028   0.944
   81   2HB   ALA  11          2HB       ALA  11  -1.018   8.864   0.105
   82   3HB   ALA  11          3HB       ALA  11  -0.741  10.593  -0.110
   83    H    THR  12           H        THR  12   2.051  10.327   0.691
   84    HA   THR  12           HA       THR  12   2.299  13.024   1.784
   85    HB   THR  12           HB       THR  12   4.203  10.796   1.309
   86    HG1  THR  12           1HG      THR  12   5.279  12.318   2.948
   87   1HG2  THR  12          1HG2      THR  12   4.893  12.626  -0.389
   88   2HG2  THR  12          2HG2      THR  12   6.095  11.978   0.725
   89   3HG2  THR  12          3HG2      THR  12   5.360  13.549   1.039
   90    H    ALA  13           H        ALA  13   1.603  11.315  -1.021
   91    HA   ALA  13           HA       ALA  13   1.955  13.745  -2.632
   92   1HB   ALA  13          1HB       ALA  13   2.650  10.925  -3.440
   93   2HB   ALA  13          2HB       ALA  13   3.674  12.355  -3.490
   94   3HB   ALA  13          3HB       ALA  13   2.329  12.196  -4.616
   95    H    ASP  14           H        ASP  14   0.255  13.928  -4.296
   96    HA   ASP  14           HA       ASP  14  -2.284  13.332  -3.372
   97   1HB   ASP  14          2HB       ASP  14  -1.172  14.773  -5.486
   98   2HB   ASP  14          1HB       ASP  14  -2.225  13.592  -6.257
   99    H    ASP  15           H        ASP  15  -0.246  11.571  -5.612
  100    HA   ASP  15           HA       ASP  15  -2.348   9.658  -6.206
  101   1HB   ASP  15          2HB       ASP  15  -0.528   8.578  -7.596
  102   2HB   ASP  15          1HB       ASP  15  -0.950  10.225  -8.061
  103    H    GLU  16           H        GLU  16  -1.033  10.001  -3.427
  104    HA   GLU  16           HA       GLU  16  -0.024   7.260  -3.137
  105   1HB   GLU  16          2HB       GLU  16   0.302   9.725  -1.448
  106   2HB   GLU  16          1HB       GLU  16   0.604   8.122  -0.799
  107   1HG   GLU  16          2HG       GLU  16   2.117   7.951  -2.958
  108   2HG   GLU  16          1HG       GLU  16   2.135   9.699  -2.760
  109    H    LEU  17           H        LEU  17  -1.377   5.835  -2.490
  110    HA   LEU  17           HA       LEU  17  -3.974   6.483  -1.457
  111   1HB   LEU  17          2HB       LEU  17  -3.094   4.471  -2.938
  112   2HB   LEU  17          1HB       LEU  17  -2.817   3.729  -1.375
  113    HG   LEU  17           HG       LEU  17  -5.040   3.428  -0.967
  114   1HD1  LEU  17          1HD1      LEU  17  -5.717   5.727  -0.910
  115   2HD1  LEU  17          2HD1      LEU  17  -6.849   4.839  -1.931
  116   3HD1  LEU  17          3HD1      LEU  17  -5.606   5.851  -2.667
  117   1HD2  LEU  17          1HD2      LEU  17  -4.287   2.981  -3.649
  118   2HD2  LEU  17          2HD2      LEU  17  -5.950   3.567  -3.662
  119   3HD2  LEU  17          3HD2      LEU  17  -5.522   2.147  -2.706
  120    H    SER  18           H        SER  18  -4.474   6.745   0.643
  121    HA   SER  18           HA       SER  18  -2.549   6.076   2.727
  122   1HB   SER  18          2HB       SER  18  -5.262   7.398   2.949
  123   2HB   SER  18          1HB       SER  18  -4.091   7.233   4.256
  124    HG   SER  18           HG       SER  18  -2.650   8.463   2.914
  125    H    PHE  19           H        PHE  19  -3.410   5.131   4.797
  126    HA   PHE  19           HA       PHE  19  -5.649   3.409   4.757
  127   1HB   PHE  19          2HB       PHE  19  -4.552   1.234   4.639
  128   2HB   PHE  19          1HB       PHE  19  -4.204   2.150   3.175
  129    HD1  PHE  19           1HD      PHE  19  -1.972   3.236   2.913
  130    HD2  PHE  19           2HD      PHE  19  -2.831   0.520   6.069
  131    HE1  PHE  19           1HE      PHE  19   0.441   2.926   3.299
  132    HE2  PHE  19           2HE      PHE  19  -0.424   0.207   6.463
  133    HZ   PHE  19           HZ       PHE  19   1.214   1.411   5.077
  134    H    ARG  20           H        ARG  20  -5.323   1.611   6.565
  135    HA   ARG  20           HA       ARG  20  -4.200   3.028   8.894
  136   1HB   ARG  20          2HB       ARG  20  -6.697   2.852   8.784
  137   2HB   ARG  20          1HB       ARG  20  -6.531   1.107   8.877
  138   1HG   ARG  20          2HG       ARG  20  -5.229   1.598  11.065
  139   2HG   ARG  20          1HG       ARG  20  -6.023   3.168  10.979
  140   1HD   ARG  20          2HD       ARG  20  -7.593   2.047  12.174
  141   2HD   ARG  20          1HD       ARG  20  -8.137   1.628  10.551
  142    HE   ARG  20           HE       ARG  20  -6.287  -0.184  11.918
  143   1HH1  ARG  20          1HH1      ARG  20  -9.514   0.459  10.745
  144   2HH1  ARG  20          2HH1      ARG  20 -10.019  -1.191  10.864
  145   1HH2  ARG  20          1HH2      ARG  20  -6.959  -2.351  12.072
  146   2HH2  ARG  20          2HH2      ARG  20  -8.568  -2.789  11.612
  147    H    LYS  21           H        LYS  21  -3.631   1.472  10.797
  148    HA   LYS  21           HA       LYS  21  -1.776  -0.446   9.930
  149   1HB   LYS  21          2HB       LYS  21  -2.112   0.780  12.250
  150   2HB   LYS  21          1HB       LYS  21  -3.089  -0.637  12.617
  151   1HG   LYS  21          2HG       LYS  21  -0.812  -1.716  11.568
  152   2HG   LYS  21          1HG       LYS  21  -0.200  -0.339  12.473
  153   1HD   LYS  21          2HD       LYS  21  -2.180  -1.690  14.031
  154   2HD   LYS  21          1HD       LYS  21  -1.003  -2.870  13.451
  155   1HE   LYS  21          2HE       LYS  21   0.164  -0.371  14.448
  156   2HE   LYS  21          1HE       LYS  21  -0.694  -1.315  15.667
  157   1HZ   LYS  21          1HZ       LYS  21   1.842  -1.728  15.030
  158   2HZ   LYS  21          2HZ       LYS  21   1.115  -2.789  13.930
  159   3HZ   LYS  21          3HZ       LYS  21   0.825  -2.961  15.588
  160    H    THR  22           H        THR  22  -1.986  -2.575   9.473
  161    HA   THR  22           HA       THR  22  -2.755  -4.677   9.368
  162    HB   THR  22           HB       THR  22  -4.330  -5.519  10.841
  163    HG1  THR  22           1HG      THR  22  -5.464  -3.020  11.399
  164   1HG2  THR  22          1HG2      THR  22  -3.384  -4.961  12.761
  165   2HG2  THR  22          2HG2      THR  22  -3.960  -3.298  12.651
  166   3HG2  THR  22          3HG2      THR  22  -2.462  -3.767  11.849
  167    H    GLN  23           H        GLN  23  -4.138  -2.201   7.738
  168    HA   GLN  23           HA       GLN  23  -6.398  -3.775   6.849
  169   1HB   GLN  23          2HB       GLN  23  -6.393  -1.195   6.908
  170   2HB   GLN  23          1HB       GLN  23  -5.546  -1.317   5.371
  171   1HG   GLN  23          2HG       GLN  23  -7.408  -2.655   4.480
  172   2HG   GLN  23          1HG       GLN  23  -8.261  -2.449   6.009
  173   1HE2  GLN  23          1HE2      GLN  23  -9.829  -1.596   4.312
  174   2HE2  GLN  23          2HE2      GLN  23  -9.764   0.102   3.999
  175    H    ILE  24           H        ILE  24  -6.683  -4.714   4.863
  176    HA   ILE  24           HA       ILE  24  -4.207  -5.632   3.670
  177    HB   ILE  24           HB       ILE  24  -5.952  -6.923   2.149
  178   1HG1  ILE  24          2HG1      ILE  24  -7.797  -7.547   4.031
  179   2HG1  ILE  24          1HG1      ILE  24  -7.599  -5.836   4.361
  180   1HG2  ILE  24          1HG2      ILE  24  -5.956  -8.731   3.891
  181   2HG2  ILE  24          2HG2      ILE  24  -5.205  -7.571   4.989
  182   3HG2  ILE  24          3HG2      ILE  24  -4.374  -8.051   3.509
  183   1HD1  ILE  24          1HD1      ILE  24  -9.383  -6.012   2.858
  184   2HD1  ILE  24          2HD1      ILE  24  -8.505  -7.142   1.828
  185   3HD1  ILE  24          3HD1      ILE  24  -8.012  -5.452   1.901
  186    H    LEU  25           H        LEU  25  -3.301  -4.777   1.954
  187    HA   LEU  25           HA       LEU  25  -4.928  -3.029   0.242
  188   1HB   LEU  25          2HB       LEU  25  -1.928  -3.027   0.474
  189   2HB   LEU  25          1HB       LEU  25  -2.943  -1.819  -0.293
  190    HG   LEU  25           HG       LEU  25  -3.218  -2.376   2.638
  191   1HD1  LEU  25          1HD1      LEU  25  -0.817  -1.961   2.112
  192   2HD1  LEU  25          2HD1      LEU  25  -1.558  -0.755   3.164
  193   3HD1  LEU  25          3HD1      LEU  25  -1.290  -0.394   1.459
  194   1HD2  LEU  25          1HD2      LEU  25  -4.505  -0.544   2.661
  195   2HD2  LEU  25          2HD2      LEU  25  -4.617  -0.790   0.918
  196   3HD2  LEU  25          3HD2      LEU  25  -3.433   0.343   1.575
  197    H    LYS  26           H        LYS  26  -4.835  -3.165  -1.979
  198    HA   LYS  26           HA       LYS  26  -4.147  -5.761  -3.078
  199   1HB   LYS  26          2HB       LYS  26  -5.659  -3.340  -3.905
  200   2HB   LYS  26          1HB       LYS  26  -4.968  -4.310  -5.195
  201   1HG   LYS  26          2HG       LYS  26  -7.119  -5.153  -4.926
  202   2HG   LYS  26          1HG       LYS  26  -6.094  -6.297  -4.056
  203   1HD   LYS  26          2HD       LYS  26  -6.784  -5.528  -1.975
  204   2HD   LYS  26          1HD       LYS  26  -7.332  -3.980  -2.621
  205   1HE   LYS  26          2HE       LYS  26  -9.102  -5.278  -3.873
  206   2HE   LYS  26          1HE       LYS  26  -8.645  -6.674  -2.896
  207   1HZ   LYS  26          1HZ       LYS  26 -10.533  -5.481  -1.954
  208   2HZ   LYS  26          2HZ       LYS  26  -9.605  -4.072  -1.828
  209   3HZ   LYS  26          3HZ       LYS  26  -9.203  -5.433  -0.910
  210    H    ILE  27           H        ILE  27  -1.919  -5.903  -3.279
  211    HA   ILE  27           HA       ILE  27  -0.364  -3.724  -4.346
  212    HB   ILE  27           HB       ILE  27   0.399  -5.534  -2.686
  213   1HG1  ILE  27          2HG1      ILE  27   2.728  -5.442  -4.076
  214   2HG1  ILE  27          1HG1      ILE  27   1.825  -4.143  -4.853
  215   1HG2  ILE  27          1HG2      ILE  27   1.625  -7.024  -4.858
  216   2HG2  ILE  27          2HG2      ILE  27  -0.121  -7.252  -4.745
  217   3HG2  ILE  27          3HG2      ILE  27   0.903  -7.588  -3.353
  218   1HD1  ILE  27          1HD1      ILE  27   2.432  -4.407  -1.922
  219   2HD1  ILE  27          2HD1      ILE  27   1.422  -3.150  -2.631
  220   3HD1  ILE  27          3HD1      ILE  27   3.127  -3.251  -3.048
  221    H    LEU  28           H        LEU  28   0.251  -3.408  -6.473
  222    HA   LEU  28           HA       LEU  28  -0.162  -5.600  -8.354
  223   1HB   LEU  28          2HB       LEU  28  -1.569  -4.313  -9.835
  224   2HB   LEU  28          1HB       LEU  28  -2.312  -4.502  -8.258
  225    HG   LEU  28           HG       LEU  28  -0.966  -2.093  -8.056
  226   1HD1  LEU  28          1HD1      LEU  28  -2.425  -2.039 -10.675
  227   2HD1  LEU  28          2HD1      LEU  28  -0.685  -2.299 -10.579
  228   3HD1  LEU  28          3HD1      LEU  28  -1.388  -0.802  -9.966
  229   1HD2  LEU  28          1HD2      LEU  28  -3.740  -3.027  -8.278
  230   2HD2  LEU  28          2HD2      LEU  28  -3.482  -1.320  -8.629
  231   3HD2  LEU  28          3HD2      LEU  28  -2.985  -1.983  -7.073
  232    H    ASN  29           H        ASN  29   1.497  -2.594  -7.644
  233    HA   ASN  29           HA       ASN  29   3.226  -3.260  -9.886
  234   1HB   ASN  29          2HB       ASN  29   1.734  -1.771 -11.019
  235   2HB   ASN  29          1HB       ASN  29   1.776  -0.623  -9.690
  236   1HD2  ASN  29          1HD2      ASN  29   3.883   0.372  -9.235
  237   2HD2  ASN  29          2HD2      ASN  29   4.889   0.772 -10.574
  238    H    MET  30           H        MET  30   4.871  -3.580  -8.997
  239    HA   MET  30           HA       MET  30   6.275  -1.650  -7.277
  240   1HB   MET  30          2HB       MET  30   7.234  -3.434  -6.047
  241   2HB   MET  30          1HB       MET  30   5.484  -3.475  -5.924
  242   1HG   MET  30          2HG       MET  30   5.297  -5.437  -7.052
  243   2HG   MET  30          1HG       MET  30   6.751  -5.162  -8.002
  244   1HE   MET  30          1HE       MET  30   6.310  -7.785  -4.465
  245   2HE   MET  30          2HE       MET  30   5.859  -8.040  -6.151
  246   3HE   MET  30          3HE       MET  30   5.068  -6.775  -5.209
  247    H    GLU  31           H        GLU  31   8.220  -1.144  -8.045
  248    HA   GLU  31           HA       GLU  31  10.177  -2.560  -8.709
  249   1HB   GLU  31          2HB       GLU  31   8.724  -3.769 -10.435
  250   2HB   GLU  31          1HB       GLU  31   9.138  -2.440 -11.499
  251   1HG   GLU  31          2HG       GLU  31  10.884  -3.689 -12.058
  252   2HG   GLU  31          1HG       GLU  31  11.576  -3.172 -10.519
  253    H    ASP  32           H        ASP  32   8.723   0.104 -10.404
  254    HA   ASP  32           HA       ASP  32  11.290   1.187 -11.135
  255   1HB   ASP  32          2HB       ASP  32   8.473   1.944 -11.560
  256   2HB   ASP  32          1HB       ASP  32   9.560   3.310 -11.336
  257    H    ASP  33           H        ASP  33   9.481   0.945  -8.378
  258    HA   ASP  33           HA       ASP  33  11.035   3.022  -7.061
  259   1HB   ASP  33          2HB       ASP  33   8.146   3.028  -7.469
  260   2HB   ASP  33          1HB       ASP  33   8.591   3.164  -5.770
  261    H    SER  34           H        SER  34  12.223   1.155  -6.229
  262    HA   SER  34           HA       SER  34  11.082  -1.030  -4.922
  263   1HB   SER  34          2HB       SER  34  13.707   0.035  -5.369
  264   2HB   SER  34          1HB       SER  34  13.576  -0.492  -3.693
  265    HG   SER  34           HG       SER  34  13.556  -2.483  -4.345
  266    H    ASN  35           H        ASN  35  10.002   1.706  -3.940
  267    HA   ASN  35           HA       ASN  35  10.323   1.047  -1.078
  268   1HB   ASN  35          2HB       ASN  35  11.357   3.369  -2.475
  269   2HB   ASN  35          1HB       ASN  35  10.300   3.809  -1.138
  270   1HD2  ASN  35          1HD2      ASN  35  12.886   1.457  -1.820
  271   2HD2  ASN  35          2HD2      ASN  35  13.711   1.690  -0.321
  272    H    TRP  36           H        TRP  36   8.426   2.545  -3.598
  273    HA   TRP  36           HA       TRP  36   6.150   2.615  -1.732
  274   1HB   TRP  36          2HB       TRP  36   6.534   4.553  -4.026
  275   2HB   TRP  36          1HB       TRP  36   5.291   4.605  -2.777
  276    HD1  TRP  36           HD       TRP  36   9.092   5.093  -3.189
  277    HE1  TRP  36           1HE      TRP  36   9.921   6.643  -1.315
  278    HE3  TRP  36           3HE      TRP  36   4.741   5.564  -0.527
  279    HZ2  TRP  36           2HZ      TRP  36   8.875   7.889   0.991
  280    HZ3  TRP  36           3HZ      TRP  36   4.755   6.955   1.519
  281    HH2  TRP  36           HH       TRP  36   6.783   8.095   2.243
  282    H    TYR  37           H        TYR  37   4.632   1.176  -2.350
  283    HA   TYR  37           HA       TYR  37   4.819   0.178  -5.100
  284   1HB   TYR  37          2HB       TYR  37   3.398  -1.000  -2.700
  285   2HB   TYR  37          1HB       TYR  37   3.404  -1.701  -4.305
  286    HD1  TYR  37           1HD      TYR  37   4.578  -3.668  -4.156
  287    HD2  TYR  37           2HD      TYR  37   6.215  -0.189  -2.332
  288    HE1  TYR  37           1HE      TYR  37   6.624  -4.915  -3.630
  289    HE2  TYR  37           2HE      TYR  37   8.273  -1.428  -1.813
  290    HH   TYR  37           HH       TYR  37   8.500  -4.853  -2.190
  291    H    ARG  38           H        ARG  38   2.969  -0.188  -6.396
  292    HA   ARG  38           HA       ARG  38   0.935   1.873  -5.971
  293   1HB   ARG  38          2HB       ARG  38   2.274   0.859  -8.291
  294   2HB   ARG  38          1HB       ARG  38   0.572   0.452  -8.447
  295   1HG   ARG  38          2HG       ARG  38  -0.015   2.562  -8.861
  296   2HG   ARG  38          1HG       ARG  38   1.031   3.201  -7.592
  297   1HD   ARG  38          2HD       ARG  38   2.956   3.029  -9.052
  298   2HD   ARG  38          1HD       ARG  38   1.965   2.287 -10.308
  299    HE   ARG  38           HE       ARG  38   1.182   4.939  -9.399
  300   1HH1  ARG  38          1HH1      ARG  38   2.789   2.998 -11.818
  301   2HH1  ARG  38          2HH1      ARG  38   2.719   4.232 -13.031
  302   1HH2  ARG  38          1HH2      ARG  38   1.079   6.553 -10.991
  303   2HH2  ARG  38          2HH2      ARG  38   1.741   6.253 -12.562
  304    H    ALA  39           H        ALA  39  -0.569   1.069  -4.648
  305    HA   ALA  39           HA       ALA  39  -1.537  -1.659  -5.140
  306   1HB   ALA  39          1HB       ALA  39  -2.546  -1.237  -2.748
  307   2HB   ALA  39          2HB       ALA  39  -1.293   0.001  -2.669
  308   3HB   ALA  39          3HB       ALA  39  -0.850  -1.685  -2.938
  309    H    GLU  40           H        GLU  40  -3.884  -1.942  -4.447
  310    HA   GLU  40           HA       GLU  40  -5.420   0.318  -5.520
  311   1HB   GLU  40          2HB       GLU  40  -5.358  -2.466  -6.355
  312   2HB   GLU  40          1HB       GLU  40  -6.989  -1.917  -5.992
  313   1HG   GLU  40          2HG       GLU  40  -6.447   0.090  -7.475
  314   2HG   GLU  40          1HG       GLU  40  -5.077  -0.857  -8.033
  315    H    LEU  41           H        LEU  41  -7.443   0.751  -4.633
  316    HA   LEU  41           HA       LEU  41  -8.473  -0.828  -2.460
  317   1HB   LEU  41          2HB       LEU  41  -6.623   0.459  -1.428
  318   2HB   LEU  41          1HB       LEU  41  -7.385   1.945  -1.960
  319    HG   LEU  41           HG       LEU  41  -9.354   0.576  -0.494
  320   1HD1  LEU  41          1HD1      LEU  41  -7.172  -0.662   0.303
  321   2HD1  LEU  41          2HD1      LEU  41  -8.429  -0.196   1.448
  322   3HD1  LEU  41          3HD1      LEU  41  -6.979   0.792   1.282
  323   1HD2  LEU  41          1HD2      LEU  41  -9.420   2.853  -0.339
  324   2HD2  LEU  41          2HD2      LEU  41  -7.670   3.006  -0.182
  325   3HD2  LEU  41          3HD2      LEU  41  -8.637   2.471   1.194
  326    H    ASP  42           H        ASP  42 -10.637  -0.571  -2.365
  327    HA   ASP  42           HA       ASP  42 -12.724   0.097  -3.008
  328   1HB   ASP  42          2HB       ASP  42 -11.390   2.222  -1.670
  329   2HB   ASP  42          1HB       ASP  42 -12.403   2.929  -2.924
  330    H    GLY  43           H        GLY  43 -10.412   0.249  -5.162
  331   1HA   GLY  43          2HA       GLY  43 -10.939   0.296  -7.497
  332   2HA   GLY  43          1HA       GLY  43 -12.141   1.533  -7.166
  333    H    LYS  44           H        LYS  44  -8.936   1.801  -5.715
  334    HA   LYS  44           HA       LYS  44  -8.286   3.879  -7.701
  335   1HB   LYS  44          2HB       LYS  44  -9.181   4.634  -5.393
  336   2HB   LYS  44          1HB       LYS  44  -7.625   4.096  -4.776
  337   1HG   LYS  44          2HG       LYS  44  -6.933   6.164  -5.206
  338   2HG   LYS  44          1HG       LYS  44  -6.896   5.658  -6.897
  339   1HD   LYS  44          2HD       LYS  44  -9.056   6.569  -7.301
  340   2HD   LYS  44          1HD       LYS  44  -9.336   6.831  -5.578
  341   1HE   LYS  44          2HE       LYS  44  -7.350   8.399  -5.635
  342   2HE   LYS  44          1HE       LYS  44  -7.426   8.282  -7.393
  343   1HZ   LYS  44          1HZ       LYS  44  -9.680   9.133  -7.321
  344   2HZ   LYS  44          2HZ       LYS  44  -8.622  10.217  -6.568
  345   3HZ   LYS  44          3HZ       LYS  44  -9.624   9.225  -5.632
  346    H    GLU  45           H        GLU  45  -6.166   4.013  -8.327
  347    HA   GLU  45           HA       GLU  45  -4.350   1.987  -7.217
  348   1HB   GLU  45          2HB       GLU  45  -4.579   1.790  -9.618
  349   2HB   GLU  45          1HB       GLU  45  -4.261   3.506  -9.834
  350   1HG   GLU  45          2HG       GLU  45  -2.041   2.460  -8.453
  351   2HG   GLU  45          1HG       GLU  45  -2.412   1.320  -9.745
  352    H    GLY  46           H        GLY  46  -3.196   2.875  -5.512
  353   1HA   GLY  46          2HA       GLY  46  -1.853   5.429  -6.099
  354   2HA   GLY  46          1HA       GLY  46  -2.798   5.281  -4.631
  355    H    LEU  47           H        LEU  47   0.066   5.817  -5.167
  356    HA   LEU  47           HA       LEU  47   1.703   3.689  -4.484
  357   1HB   LEU  47          2HB       LEU  47   1.930   6.464  -4.940
  358   2HB   LEU  47          1HB       LEU  47   2.739   6.139  -3.420
  359    HG   LEU  47           HG       LEU  47   3.959   4.260  -4.718
  360   1HD1  LEU  47          1HD1      LEU  47   2.652   4.221  -6.714
  361   2HD1  LEU  47          2HD1      LEU  47   4.252   4.836  -7.126
  362   3HD1  LEU  47          3HD1      LEU  47   2.893   5.949  -6.972
  363   1HD2  LEU  47          1HD2      LEU  47   5.053   6.264  -3.877
  364   2HD2  LEU  47          2HD2      LEU  47   4.511   7.170  -5.291
  365   3HD2  LEU  47          3HD2      LEU  47   5.662   5.847  -5.479
  366    H    ILE  48           H        ILE  48   2.630   3.041  -2.496
  367    HA   ILE  48           HA       ILE  48   1.578   4.226  -0.055
  368    HB   ILE  48           HB       ILE  48   1.437   1.559   0.621
  369   1HG1  ILE  48          2HG1      ILE  48  -0.361   0.852  -1.167
  370   2HG1  ILE  48          1HG1      ILE  48   0.551   1.931  -2.217
  371   1HG2  ILE  48          1HG2      ILE  48  -1.160   2.500  -0.090
  372   2HG2  ILE  48          2HG2      ILE  48  -0.210   3.832   0.565
  373   3HG2  ILE  48          3HG2      ILE  48  -0.419   2.358   1.502
  374   1HD1  ILE  48          1HD1      ILE  48   2.158   0.432  -2.479
  375   2HD1  ILE  48          2HD1      ILE  48   1.083  -0.728  -1.710
  376   3HD1  ILE  48          3HD1      ILE  48   2.279   0.142  -0.750
  377    HA   PRO  49           HA       PRO  49   5.894   4.226   1.200
  378   1HB   PRO  49          2HB       PRO  49   4.708   3.676   3.822
  379   2HB   PRO  49          1HB       PRO  49   5.713   5.020   3.297
  380   1HG   PRO  49          2HG       PRO  49   2.862   4.946   3.568
  381   2HG   PRO  49          1HG       PRO  49   3.877   6.304   3.068
  382   1HD   PRO  49          2HD       PRO  49   2.069   4.969   1.449
  383   2HD   PRO  49          1HD       PRO  49   3.409   5.956   0.854
  384    H    SER  50           H        SER  50   7.370   2.613   1.567
  385    HA   SER  50           HA       SER  50   6.576  -0.146   1.469
  386   1HB   SER  50          2HB       SER  50   9.016  -0.582   1.682
  387   2HB   SER  50          1HB       SER  50   8.608   0.506   0.361
  388    HG   SER  50           HG       SER  50  10.031   0.977   2.672
  389    H    ASN  51           H        ASN  51   8.054   1.841   4.011
  390    HA   ASN  51           HA       ASN  51   8.442  -0.271   5.812
  391   1HB   ASN  51          2HB       ASN  51   8.581   2.660   5.896
  392   2HB   ASN  51          1HB       ASN  51   8.298   1.882   7.450
  393   1HD2  ASN  51          1HD2      ASN  51   9.931   0.874   8.453
  394   2HD2  ASN  51          2HD2      ASN  51  11.533   0.735   7.821
  395    H    TYR  52           H        TYR  52   5.501   1.385   5.073
  396    HA   TYR  52           HA       TYR  52   4.324   0.720   7.666
  397   1HB   TYR  52          2HB       TYR  52   3.215   2.205   5.271
  398   2HB   TYR  52          1HB       TYR  52   2.282   1.856   6.723
  399    HD1  TYR  52           1HD      TYR  52   1.938   3.821   7.888
  400    HD2  TYR  52           2HD      TYR  52   5.786   3.099   6.225
  401    HE1  TYR  52           1HE      TYR  52   2.778   5.881   8.940
  402    HE2  TYR  52           2HE      TYR  52   6.632   5.153   7.276
  403    HH   TYR  52           HH       TYR  52   4.579   7.122   9.388
  404    H    ILE  53           H        ILE  53   4.681  -0.519   4.532
  405    HA   ILE  53           HA       ILE  53   2.593  -2.524   4.981
  406    HB   ILE  53           HB       ILE  53   2.156  -2.691   2.683
  407   1HG1  ILE  53          2HG1      ILE  53   3.720  -1.102   1.161
  408   2HG1  ILE  53          1HG1      ILE  53   4.876  -1.535   2.417
  409   1HG2  ILE  53          1HG2      ILE  53   2.500   0.130   3.591
  410   2HG2  ILE  53          2HG2      ILE  53   1.027  -0.752   3.210
  411   3HG2  ILE  53          3HG2      ILE  53   2.064  -0.176   1.915
  412   1HD1  ILE  53          1HD1      ILE  53   3.366  -3.797   1.366
  413   2HD1  ILE  53          2HD1      ILE  53   5.097  -3.615   1.650
  414   3HD1  ILE  53          3HD1      ILE  53   4.373  -2.980   0.172
  415    H    GLU  54           H        GLU  54   3.026  -4.604   4.172
  416    HA   GLU  54           HA       GLU  54   5.779  -5.370   3.505
  417   1HB   GLU  54          2HB       GLU  54   4.912  -5.568   6.057
  418   2HB   GLU  54          1HB       GLU  54   4.349  -7.106   5.431
  419   1HG   GLU  54          2HG       GLU  54   6.430  -7.581   6.320
  420   2HG   GLU  54          1HG       GLU  54   6.741  -7.425   4.592
  421    H    MET  55           H        MET  55   5.848  -7.157   2.109
  422    HA   MET  55           HA       MET  55   3.616  -7.823   0.644
  423   1HB   MET  55          2HB       MET  55   5.984  -8.180  -0.026
  424   2HB   MET  55          1HB       MET  55   6.052  -9.558   1.061
  425   1HG   MET  55          2HG       MET  55   5.664 -10.564  -0.953
  426   2HG   MET  55          1HG       MET  55   4.027 -10.411  -0.315
  427   1HE   MET  55          1HE       MET  55   2.263  -8.969  -3.183
  428   2HE   MET  55          2HE       MET  55   2.139  -9.057  -1.426
  429   3HE   MET  55          3HE       MET  55   2.608 -10.484  -2.350
  430    H    LYS  56           H        LYS  56   1.881  -8.941   1.110
  431    HA   LYS  56           HA       LYS  56   1.738 -10.673   3.442
  432   1HB   LYS  56          2HB       LYS  56  -0.054  -8.898   2.730
  433   2HB   LYS  56          1HB       LYS  56  -0.574 -10.135   1.603
  434   1HG   LYS  56          2HG       LYS  56  -0.343 -11.380   4.112
  435   2HG   LYS  56          1HG       LYS  56  -1.132  -9.829   4.393
  436   1HD   LYS  56          2HD       LYS  56  -2.775 -10.336   2.653
  437   2HD   LYS  56          1HD       LYS  56  -1.997 -11.888   2.364
  438   1HE   LYS  56          2HE       LYS  56  -3.621 -12.592   3.778
  439   2HE   LYS  56          1HE       LYS  56  -2.416 -12.134   4.981
  440   1HZ   LYS  56          1HZ       LYS  56  -3.608 -10.344   5.629
  441   2HZ   LYS  56          2HZ       LYS  56  -4.904 -11.270   5.058
  442   3HZ   LYS  56          3HZ       LYS  56  -4.245 -10.050   4.090
  443    H    ASN  57           H        ASN  57  -0.280 -12.323   2.597
  444    HA   ASN  57           HA       ASN  57  -0.737 -14.261   1.521
  445   1HB   ASN  57          2HB       ASN  57   0.643 -12.686  -0.464
  446   2HB   ASN  57          1HB       ASN  57   1.158 -14.364  -0.599
  447   1HD2  ASN  57          1HD2      ASN  57  -0.465 -15.980  -0.860
  448   2HD2  ASN  57          2HD2      ASN  57  -1.960 -15.587  -1.632
  449    H    HIS  58           H        HIS  58   2.640 -14.405   0.442
  450    HA   HIS  58           HA       HIS  58   4.434 -15.542   1.349
  451   1HB   HIS  58          2HB       HIS  58   2.708 -15.362   3.680
  452   2HB   HIS  58          1HB       HIS  58   3.425 -16.964   3.573
  453    HD1  HIS  58           1HD      HIS  58   6.164 -15.881   2.336
  454    HD2  HIS  58           2HD      HIS  58   4.279 -14.518   5.775
  455    HE1  HIS  58           1HE      HIS  58   7.977 -14.822   3.719
  456    HE2  HIS  58           2HE      HIS  58   6.828 -14.084   5.837
  457    H    ASP  59           H        ASP  59   1.561 -17.357   2.410
  458    HA   ASP  59           HA       ASP  59   0.877 -19.486   1.967
  459   1HB   ASP  59          2HB       ASP  59   0.865 -17.975  -0.394
  460   2HB   ASP  59          1HB       ASP  59   1.551 -19.530  -0.854
  Start of MODEL    7
    1   1H    MET   1          1HT       MET   1  -2.752 -12.864  -5.532
    2   2H    MET   1          2HT       MET   1  -3.110 -11.211  -5.243
    3   3H    MET   1          3HT       MET   1  -3.509 -12.397  -4.067
    4    HA   MET   1           HA       MET   1  -1.351 -12.740  -3.470
    5   1HB   MET   1          2HB       MET   1   0.538 -11.848  -4.801
    6   2HB   MET   1          1HB       MET   1  -0.436 -13.003  -5.697
    7   1HG   MET   1          2HG       MET   1  -1.610 -11.053  -6.746
    8   2HG   MET   1          1HG       MET   1  -0.402 -10.014  -5.992
    9   1HE   MET   1          1HE       MET   1   0.663  -9.000  -8.333
   10   2HE   MET   1          2HE       MET   1  -0.856  -9.719  -8.867
   11   3HE   MET   1          3HE       MET   1   0.629 -10.028  -9.764
   12    H    GLU   2           H        GLU   2  -2.329 -11.409  -1.812
   13    HA   GLU   2           HA       GLU   2  -1.845  -8.534  -2.111
   14   1HB   GLU   2          2HB       GLU   2  -3.951  -9.998  -1.077
   15   2HB   GLU   2          1HB       GLU   2  -3.153  -9.357   0.352
   16   1HG   GLU   2          2HG       GLU   2  -3.209  -7.129  -1.038
   17   2HG   GLU   2          1HG       GLU   2  -4.544  -7.937  -1.844
   18    H    ALA   3           H        ALA   3  -1.545  -7.455   0.004
   19    HA   ALA   3           HA       ALA   3   0.549  -8.453   1.761
   20   1HB   ALA   3          1HB       ALA   3   1.611  -7.256  -0.139
   21   2HB   ALA   3          2HB       ALA   3   1.880  -6.484   1.425
   22   3HB   ALA   3          3HB       ALA   3   0.685  -5.824   0.312
   23    H    ILE   4           H        ILE   4   0.542  -7.503   3.801
   24    HA   ILE   4           HA       ILE   4  -1.847  -5.879   4.367
   25    HB   ILE   4           HB       ILE   4  -1.718  -7.981   5.614
   26   1HG1  ILE   4          2HG1      ILE   4  -1.829  -7.080   7.927
   27   2HG1  ILE   4          1HG1      ILE   4  -1.158  -5.561   7.343
   28   1HG2  ILE   4          1HG2      ILE   4   0.373  -8.729   5.934
   29   2HG2  ILE   4          2HG2      ILE   4   0.256  -7.830   7.447
   30   3HG2  ILE   4          3HG2      ILE   4   1.049  -7.103   6.049
   31   1HD1  ILE   4          1HD1      ILE   4  -3.410  -6.224   5.749
   32   2HD1  ILE   4          2HD1      ILE   4  -3.186  -4.857   6.836
   33   3HD1  ILE   4          3HD1      ILE   4  -3.856  -6.369   7.447
   34    H    ALA   5           H        ALA   5  -1.588  -4.051   5.843
   35    HA   ALA   5           HA       ALA   5   1.171  -3.056   5.913
   36   1HB   ALA   5          1HB       ALA   5  -0.348  -2.053   4.109
   37   2HB   ALA   5          2HB       ALA   5   0.570  -0.939   5.103
   38   3HB   ALA   5          3HB       ALA   5  -1.141  -1.215   5.429
   39    H    LYS   6           H        LYS   6   1.631  -3.143   8.135
   40    HA   LYS   6           HA       LYS   6  -0.479  -1.898   9.781
   41   1HB   LYS   6          2HB       LYS   6   0.735  -2.957  11.702
   42   2HB   LYS   6          1HB       LYS   6   0.063  -4.113  10.560
   43   1HG   LYS   6          2HG       LYS   6   2.909  -3.213  10.302
   44   2HG   LYS   6          1HG       LYS   6   2.464  -4.476  11.448
   45   1HD   LYS   6          2HD       LYS   6   1.197  -5.353   9.227
   46   2HD   LYS   6          1HD       LYS   6   2.580  -4.533   8.503
   47   1HE   LYS   6          2HE       LYS   6   3.160  -6.284  10.803
   48   2HE   LYS   6          1HE       LYS   6   2.630  -7.088   9.324
   49   1HZ   LYS   6          1HZ       LYS   6   4.582  -6.704   8.370
   50   2HZ   LYS   6          2HZ       LYS   6   5.170  -6.263   9.886
   51   3HZ   LYS   6          3HZ       LYS   6   4.603  -5.076   8.822
   52    H    HIS   7           H        HIS   7   0.069   0.160   9.247
   53    HA   HIS   7           HA       HIS   7   1.608   1.372  11.086
   54   1HB   HIS   7          2HB       HIS   7   2.933   1.050   8.439
   55   2HB   HIS   7          1HB       HIS   7   3.043   2.644   9.173
   56    HD1  HIS   7           1HD      HIS   7   3.099   1.057  12.113
   57    HD2  HIS   7           2HD      HIS   7   5.752   0.838   8.924
   58    HE1  HIS   7           1HE      HIS   7   5.262   0.242  13.095
   59    HE2  HIS   7           2HE      HIS   7   6.854   0.115  11.146
   60    H    ASP   8           H        ASP   8   0.294   3.375  11.333
   61    HA   ASP   8           HA       ASP   8  -1.746   3.728   9.398
   62   1HB   ASP   8          2HB       ASP   8  -2.001   6.065  10.447
   63   2HB   ASP   8          1HB       ASP   8  -2.272   4.679  11.497
   64    H    PHE   9           H        PHE   9  -1.936   5.560   7.841
   65    HA   PHE   9           HA       PHE   9   0.355   7.186   7.343
   66   1HB   PHE   9          2HB       PHE   9   0.996   4.902   6.348
   67   2HB   PHE   9          1HB       PHE   9  -0.193   5.266   5.101
   68    HD1  PHE   9           1HD      PHE   9   0.370   6.614   3.289
   69    HD2  PHE   9           2HD      PHE   9   2.868   6.582   6.723
   70    HE1  PHE   9           1HE      PHE   9   2.054   7.934   2.077
   71    HE2  PHE   9           2HE      PHE   9   4.561   7.894   5.521
   72    HZ   PHE   9           HZ       PHE   9   4.154   8.576   3.190
   73    H    SER  10           H        SER  10  -0.124   8.935   6.444
   74    HA   SER  10           HA       SER  10  -2.566   9.062   4.821
   75   1HB   SER  10          2HB       SER  10  -2.685  10.401   6.983
   76   2HB   SER  10          1HB       SER  10  -1.438  11.445   6.303
   77    HG   SER  10           HG       SER  10  -2.827  12.165   4.812
   78    H    ALA  11           H        ALA  11  -1.705   8.805   2.863
   79    HA   ALA  11           HA       ALA  11   0.417   9.061   1.469
   80   1HB   ALA  11          1HB       ALA  11  -2.286  10.111   0.981
   81   2HB   ALA  11          2HB       ALA  11  -1.378   8.867   0.133
   82   3HB   ALA  11          3HB       ALA  11  -1.033  10.570  -0.170
   83    H    THR  12           H        THR  12   1.874  10.244   0.625
   84    HA   THR  12           HA       THR  12   2.189  13.003   1.541
   85    HB   THR  12           HB       THR  12   4.041  10.711   1.205
   86    HG1  THR  12           1HG      THR  12   4.511  11.480   3.077
   87   1HG2  THR  12          1HG2      THR  12   5.813  11.602   0.163
   88   2HG2  THR  12          2HG2      THR  12   5.507  13.230   0.764
   89   3HG2  THR  12          3HG2      THR  12   4.635  12.630  -0.645
   90    H    ALA  13           H        ALA  13   1.307  11.213  -1.131
   91    HA   ALA  13           HA       ALA  13   1.766  13.516  -2.916
   92   1HB   ALA  13          1HB       ALA  13   3.356  11.621  -3.420
   93   2HB   ALA  13          2HB       ALA  13   2.300  12.084  -4.755
   94   3HB   ALA  13          3HB       ALA  13   1.944  10.639  -3.811
   95    H    ASP  14           H        ASP  14   0.096  13.681  -4.620
   96    HA   ASP  14           HA       ASP  14  -2.510  13.306  -3.698
   97   1HB   ASP  14          2HB       ASP  14  -1.396  13.790  -6.461
   98   2HB   ASP  14          1HB       ASP  14  -3.125  13.732  -6.128
   99    H    ASP  15           H        ASP  15  -0.494  11.407  -5.838
  100    HA   ASP  15           HA       ASP  15  -2.605   9.464  -6.320
  101   1HB   ASP  15          2HB       ASP  15  -0.025  10.146  -7.548
  102   2HB   ASP  15          1HB       ASP  15  -0.321   8.413  -7.427
  103    H    GLU  16           H        GLU  16  -1.288   9.957  -3.605
  104    HA   GLU  16           HA       GLU  16  -0.201   7.272  -3.184
  105   1HB   GLU  16          2HB       GLU  16   0.272   9.898  -1.924
  106   2HB   GLU  16          1HB       GLU  16   0.194   8.531  -0.828
  107   1HG   GLU  16          2HG       GLU  16   1.899   7.407  -2.287
  108   2HG   GLU  16          1HG       GLU  16   2.094   8.955  -3.105
  109    H    LEU  17           H        LEU  17  -1.591   5.853  -2.476
  110    HA   LEU  17           HA       LEU  17  -4.181   6.609  -1.509
  111   1HB   LEU  17          2HB       LEU  17  -3.646   4.582  -2.894
  112   2HB   LEU  17          1HB       LEU  17  -2.860   3.899  -1.482
  113    HG   LEU  17           HG       LEU  17  -5.239   4.423  -0.393
  114   1HD1  LEU  17          1HD1      LEU  17  -6.835   3.562  -2.324
  115   2HD1  LEU  17          2HD1      LEU  17  -5.657   4.399  -3.333
  116   3HD1  LEU  17          3HD1      LEU  17  -6.521   5.279  -2.074
  117   1HD2  LEU  17          1HD2      LEU  17  -5.303   2.200  -0.220
  118   2HD2  LEU  17          2HD2      LEU  17  -3.825   2.195  -1.185
  119   3HD2  LEU  17          3HD2      LEU  17  -5.389   1.991  -1.969
  120    H    SER  18           H        SER  18  -4.715   6.984   0.542
  121    HA   SER  18           HA       SER  18  -2.840   6.393   2.691
  122   1HB   SER  18          2HB       SER  18  -3.810   8.566   2.814
  123   2HB   SER  18          1HB       SER  18  -5.438   7.927   2.595
  124    HG   SER  18           HG       SER  18  -5.531   7.750   4.673
  125    H    PHE  19           H        PHE  19  -3.512   5.377   4.623
  126    HA   PHE  19           HA       PHE  19  -5.840   3.701   4.689
  127   1HB   PHE  19          2HB       PHE  19  -4.677   1.560   4.669
  128   2HB   PHE  19          1HB       PHE  19  -4.362   2.415   3.166
  129    HD1  PHE  19           1HD      PHE  19  -2.171   3.733   3.015
  130    HD2  PHE  19           2HD      PHE  19  -2.939   0.771   5.970
  131    HE1  PHE  19           1HE      PHE  19   0.245   3.510   3.412
  132    HE2  PHE  19           2HE      PHE  19  -0.523   0.540   6.373
  133    HZ   PHE  19           HZ       PHE  19   1.072   1.912   5.094
  134    H    ARG  20           H        ARG  20  -5.564   2.017   6.550
  135    HA   ARG  20           HA       ARG  20  -4.411   3.478   8.830
  136   1HB   ARG  20          2HB       ARG  20  -7.018   2.284   8.362
  137   2HB   ARG  20          1HB       ARG  20  -6.274   1.642   9.817
  138   1HG   ARG  20          2HG       ARG  20  -5.867   4.083  10.463
  139   2HG   ARG  20          1HG       ARG  20  -7.022   4.474   9.188
  140   1HD   ARG  20          2HD       ARG  20  -7.827   2.364  11.092
  141   2HD   ARG  20          1HD       ARG  20  -7.725   3.998  11.741
  142    HE   ARG  20           HE       ARG  20  -9.509   3.100   9.585
  143   1HH1  ARG  20          1HH1      ARG  20  -8.563   5.537  11.906
  144   2HH1  ARG  20          2HH1      ARG  20 -10.014   6.458  11.713
  145   1HH2  ARG  20          1HH2      ARG  20 -11.420   4.315   9.342
  146   2HH2  ARG  20          2HH2      ARG  20 -11.633   5.767  10.262
  147    H    LYS  21           H        LYS  21  -3.716   2.021  10.691
  148    HA   LYS  21           HA       LYS  21  -1.960   0.001   9.783
  149   1HB   LYS  21          2HB       LYS  21  -2.196   1.371  12.097
  150   2HB   LYS  21          1HB       LYS  21  -2.982  -0.127  12.574
  151   1HG   LYS  21          2HG       LYS  21  -1.000  -1.386  12.020
  152   2HG   LYS  21          1HG       LYS  21  -0.222   0.071  11.402
  153   1HD   LYS  21          2HD       LYS  21  -0.514   1.063  13.699
  154   2HD   LYS  21          1HD       LYS  21  -0.978  -0.550  14.242
  155   1HE   LYS  21          2HE       LYS  21   1.519  -0.384  12.687
  156   2HE   LYS  21          1HE       LYS  21   1.553   0.382  14.275
  157   1HZ   LYS  21          1HZ       LYS  21   1.893  -2.280  13.748
  158   2HZ   LYS  21          2HZ       LYS  21   0.319  -2.188  14.358
  159   3HZ   LYS  21          3HZ       LYS  21   1.612  -1.588  15.266
  160    H    THR  22           H        THR  22  -2.211  -2.204   9.700
  161    HA   THR  22           HA       THR  22  -3.108  -4.259   9.876
  162    HB   THR  22           HB       THR  22  -5.667  -3.361  11.078
  163    HG1  THR  22           1HG      THR  22  -3.208  -2.707  12.094
  164   1HG2  THR  22          1HG2      THR  22  -3.916  -5.720  11.178
  165   2HG2  THR  22          2HG2      THR  22  -5.673  -5.596  11.261
  166   3HG2  THR  22          3HG2      THR  22  -4.697  -5.266  12.693
  167    H    GLN  23           H        GLN  23  -4.471  -1.829   7.981
  168    HA   GLN  23           HA       GLN  23  -6.583  -3.601   7.062
  169   1HB   GLN  23          2HB       GLN  23  -7.307  -1.956   5.513
  170   2HB   GLN  23          1HB       GLN  23  -6.984  -1.150   7.039
  171   1HG   GLN  23          2HG       GLN  23  -5.167  -0.028   6.228
  172   2HG   GLN  23          1HG       GLN  23  -4.833  -1.240   4.993
  173   1HE2  GLN  23          1HE2      GLN  23  -7.502   0.933   5.886
  174   2HE2  GLN  23          2HE2      GLN  23  -7.791   1.504   4.282
  175    H    ILE  24           H        ILE  24  -6.669  -4.766   5.202
  176    HA   ILE  24           HA       ILE  24  -4.104  -5.550   4.161
  177    HB   ILE  24           HB       ILE  24  -5.454  -7.125   2.729
  178   1HG1  ILE  24          2HG1      ILE  24  -7.868  -7.270   4.032
  179   2HG1  ILE  24          1HG1      ILE  24  -7.630  -5.533   3.867
  180   1HG2  ILE  24          1HG2      ILE  24  -5.831  -8.665   4.471
  181   2HG2  ILE  24          2HG2      ILE  24  -6.102  -7.379   5.648
  182   3HG2  ILE  24          3HG2      ILE  24  -4.486  -7.650   4.992
  183   1HD1  ILE  24          1HD1      ILE  24  -8.229  -7.554   1.846
  184   2HD1  ILE  24          2HD1      ILE  24  -6.982  -6.397   1.390
  185   3HD1  ILE  24          3HD1      ILE  24  -8.574  -5.824   1.870
  186    H    LEU  25           H        LEU  25  -3.111  -4.745   2.475
  187    HA   LEU  25           HA       LEU  25  -4.624  -3.062   0.603
  188   1HB   LEU  25          2HB       LEU  25  -2.610  -1.874   0.163
  189   2HB   LEU  25          1HB       LEU  25  -2.809  -1.999   1.903
  190    HG   LEU  25           HG       LEU  25  -1.171  -4.125   0.670
  191   1HD1  LEU  25          1HD1      LEU  25  -0.215  -2.462  -0.651
  192   2HD1  LEU  25          2HD1      LEU  25   0.819  -2.494   0.774
  193   3HD1  LEU  25          3HD1      LEU  25  -0.395  -1.230   0.596
  194   1HD2  LEU  25          1HD2      LEU  25   0.095  -3.841   2.677
  195   2HD2  LEU  25          2HD2      LEU  25  -1.607  -3.838   3.103
  196   3HD2  LEU  25          3HD2      LEU  25  -0.718  -2.324   3.017
  197    H    LYS  26           H        LYS  26  -4.391  -3.236  -1.596
  198    HA   LYS  26           HA       LYS  26  -3.586  -5.817  -2.694
  199   1HB   LYS  26          2HB       LYS  26  -5.355  -3.626  -3.356
  200   2HB   LYS  26          1HB       LYS  26  -4.324  -4.003  -4.727
  201   1HG   LYS  26          2HG       LYS  26  -5.911  -6.078  -3.244
  202   2HG   LYS  26          1HG       LYS  26  -6.528  -5.197  -4.644
  203   1HD   LYS  26          2HD       LYS  26  -5.597  -6.796  -5.893
  204   2HD   LYS  26          1HD       LYS  26  -4.044  -6.072  -5.477
  205   1HE   LYS  26          2HE       LYS  26  -3.467  -7.810  -4.202
  206   2HE   LYS  26          1HE       LYS  26  -5.036  -7.838  -3.400
  207   1HZ   LYS  26          1HZ       LYS  26  -4.503  -8.988  -6.080
  208   2HZ   LYS  26          2HZ       LYS  26  -5.947  -9.092  -5.206
  209   3HZ   LYS  26          3HZ       LYS  26  -4.560  -9.880  -4.644
  210    H    ILE  27           H        ILE  27  -1.725  -6.142  -3.900
  211    HA   ILE  27           HA       ILE  27  -0.023  -3.778  -4.398
  212    HB   ILE  27           HB       ILE  27   1.895  -5.352  -4.335
  213   1HG1  ILE  27          2HG1      ILE  27  -0.104  -7.302  -3.170
  214   2HG1  ILE  27          1HG1      ILE  27   0.486  -7.386  -4.827
  215   1HG2  ILE  27          1HG2      ILE  27   1.099  -3.964  -2.403
  216   2HG2  ILE  27          2HG2      ILE  27   2.029  -5.395  -1.958
  217   3HG2  ILE  27          3HG2      ILE  27   0.273  -5.399  -1.800
  218   1HD1  ILE  27          1HD1      ILE  27   2.042  -7.764  -2.289
  219   2HD1  ILE  27          2HD1      ILE  27   2.804  -7.558  -3.866
  220   3HD1  ILE  27          3HD1      ILE  27   1.742  -8.934  -3.573
  221    H    LEU  28           H        LEU  28   0.791  -3.438  -6.528
  222    HA   LEU  28           HA       LEU  28   0.262  -5.627  -8.412
  223   1HB   LEU  28          2HB       LEU  28  -0.528  -2.807  -9.028
  224   2HB   LEU  28          1HB       LEU  28  -0.919  -4.259  -9.925
  225    HG   LEU  28           HG       LEU  28  -1.935  -4.331  -7.190
  226   1HD1  LEU  28          1HD1      LEU  28  -3.672  -2.672  -7.502
  227   2HD1  LEU  28          2HD1      LEU  28  -2.972  -2.198  -9.047
  228   3HD1  LEU  28          3HD1      LEU  28  -2.082  -1.916  -7.551
  229   1HD2  LEU  28          1HD2      LEU  28  -2.655  -5.167  -9.869
  230   2HD2  LEU  28          2HD2      LEU  28  -4.025  -4.464  -9.007
  231   3HD2  LEU  28          3HD2      LEU  28  -3.147  -5.827  -8.310
  232    H    ASN  29           H        ASN  29   2.249  -2.665  -7.856
  233    HA   ASN  29           HA       ASN  29   3.944  -3.738  -9.954
  234   1HB   ASN  29          2HB       ASN  29   3.969  -1.920 -11.417
  235   2HB   ASN  29          1HB       ASN  29   2.287  -2.337 -11.139
  236   1HD2  ASN  29          1HD2      ASN  29   4.826  -0.067 -10.325
  237   2HD2  ASN  29          2HD2      ASN  29   3.789   1.256  -9.956
  238    H    MET  30           H        MET  30   5.872  -3.674  -9.555
  239    HA   MET  30           HA       MET  30   7.068  -1.520  -8.022
  240   1HB   MET  30          2HB       MET  30   8.587  -4.039  -8.524
  241   2HB   MET  30          1HB       MET  30   8.730  -2.881  -7.209
  242   1HG   MET  30          2HG       MET  30   7.842  -4.706  -6.145
  243   2HG   MET  30          1HG       MET  30   6.401  -3.758  -6.509
  244   1HE   MET  30          1HE       MET  30   8.452  -6.804  -6.965
  245   2HE   MET  30          2HE       MET  30   7.368  -7.952  -7.747
  246   3HE   MET  30          3HE       MET  30   6.989  -7.336  -6.138
  247    H    GLU  31           H        GLU  31   8.358  -0.334  -9.123
  248    HA   GLU  31           HA       GLU  31   9.633  -1.106 -11.649
  249   1HB   GLU  31          2HB       GLU  31   8.448   0.998 -12.647
  250   2HB   GLU  31          1HB       GLU  31   7.701  -0.588 -12.743
  251   1HG   GLU  31          2HG       GLU  31   6.382  -0.007 -10.719
  252   2HG   GLU  31          1HG       GLU  31   7.035   1.624 -10.823
  253    H    ASP  32           H        ASP  32   8.395   1.678  -9.885
  254    HA   ASP  32           HA       ASP  32  10.511   3.335 -10.655
  255   1HB   ASP  32          2HB       ASP  32   8.096   3.880  -9.746
  256   2HB   ASP  32          1HB       ASP  32   8.906   3.847  -8.181
  257    H    ASP  33           H        ASP  33   9.841   1.531  -7.531
  258    HA   ASP  33           HA       ASP  33  12.671   1.436  -7.118
  259   1HB   ASP  33          2HB       ASP  33  11.260   3.822  -6.428
  260   2HB   ASP  33          1HB       ASP  33  11.838   3.061  -4.948
  261    H    SER  34           H        SER  34  13.280   0.401  -5.278
  262    HA   SER  34           HA       SER  34  11.584  -1.618  -4.162
  263   1HB   SER  34          2HB       SER  34  13.588  -1.928  -2.656
  264   2HB   SER  34          1HB       SER  34  13.896  -2.082  -4.386
  265    HG   SER  34           HG       SER  34  14.307   0.308  -2.918
  266    H    ASN  35           H        ASN  35  10.598   1.272  -3.649
  267    HA   ASN  35           HA       ASN  35  10.564   1.025  -0.710
  268   1HB   ASN  35          2HB       ASN  35  12.298   2.668  -1.955
  269   2HB   ASN  35          1HB       ASN  35  10.906   3.735  -1.827
  270   1HD2  ASN  35          1HD2      ASN  35   9.812   3.291   0.501
  271   2HD2  ASN  35          2HD2      ASN  35  10.923   3.532   1.803
  272    H    TRP  36           H        TRP  36   9.072   2.301  -3.609
  273    HA   TRP  36           HA       TRP  36   6.693   2.925  -2.002
  274   1HB   TRP  36          2HB       TRP  36   7.820   4.454  -4.353
  275   2HB   TRP  36          1HB       TRP  36   6.227   4.746  -3.654
  276    HD1  TRP  36           HD       TRP  36   9.816   5.657  -3.223
  277    HE1  TRP  36           1HE      TRP  36  10.137   7.025  -1.064
  278    HE3  TRP  36           3HE      TRP  36   5.221   4.929  -1.106
  279    HZ2  TRP  36           2HZ      TRP  36   8.639   7.697   1.234
  280    HZ3  TRP  36           3HZ      TRP  36   4.744   5.962   1.080
  281    HH2  TRP  36           HH       TRP  36   6.421   7.321   2.219
  282    H    TYR  37           H        TYR  37   5.103   1.641  -2.432
  283    HA   TYR  37           HA       TYR  37   5.090   0.195  -4.973
  284   1HB   TYR  37          2HB       TYR  37   4.046  -0.408  -2.233
  285   2HB   TYR  37          1HB       TYR  37   3.347  -1.216  -3.628
  286    HD1  TYR  37           1HD      TYR  37   4.659  -2.645  -1.392
  287    HD2  TYR  37           2HD      TYR  37   6.300  -1.120  -5.012
  288    HE1  TYR  37           1HE      TYR  37   6.437  -4.334  -1.292
  289    HE2  TYR  37           2HE      TYR  37   8.084  -2.806  -4.918
  290    HH   TYR  37           HH       TYR  37   8.223  -5.203  -2.297
  291    H    ARG  38           H        ARG  38   3.118  -0.266  -6.056
  292    HA   ARG  38           HA       ARG  38   1.179   1.922  -5.780
  293   1HB   ARG  38          2HB       ARG  38   2.209   0.355  -8.092
  294   2HB   ARG  38          1HB       ARG  38   0.510   0.815  -8.143
  295   1HG   ARG  38          2HG       ARG  38   2.507   2.896  -7.465
  296   2HG   ARG  38          1HG       ARG  38   2.393   2.360  -9.139
  297   1HD   ARG  38          2HD       ARG  38  -0.243   2.720  -8.361
  298   2HD   ARG  38          1HD       ARG  38   0.616   4.066  -7.607
  299    HE   ARG  38           HE       ARG  38   1.286   3.639 -10.366
  300   1HH1  ARG  38          1HH1      ARG  38  -0.891   5.254  -8.175
  301   2HH1  ARG  38          2HH1      ARG  38  -1.321   6.486  -9.311
  302   1HH2  ARG  38          1HH2      ARG  38   0.731   5.253 -11.857
  303   2HH2  ARG  38          2HH2      ARG  38  -0.398   6.488 -11.404
  304    H    ALA  39           H        ALA  39  -0.398   1.282  -4.487
  305    HA   ALA  39           HA       ALA  39  -1.347  -1.491  -4.718
  306   1HB   ALA  39          1HB       ALA  39  -1.079   0.374  -2.413
  307   2HB   ALA  39          2HB       ALA  39  -0.628  -1.326  -2.532
  308   3HB   ALA  39          3HB       ALA  39  -2.322  -0.867  -2.355
  309    H    GLU  40           H        GLU  40  -3.513  -1.961  -4.436
  310    HA   GLU  40           HA       GLU  40  -5.305   0.172  -5.382
  311   1HB   GLU  40          2HB       GLU  40  -4.847  -2.323  -6.472
  312   2HB   GLU  40          1HB       GLU  40  -6.339  -2.557  -5.578
  313   1HG   GLU  40          2HG       GLU  40  -7.427  -0.825  -6.796
  314   2HG   GLU  40          1HG       GLU  40  -5.916  -0.338  -7.562
  315    H    LEU  41           H        LEU  41  -7.327   0.470  -4.391
  316    HA   LEU  41           HA       LEU  41  -8.049  -1.185  -2.126
  317   1HB   LEU  41          2HB       LEU  41  -6.249   0.627  -1.558
  318   2HB   LEU  41          1HB       LEU  41  -7.632   1.702  -1.530
  319    HG   LEU  41           HG       LEU  41  -8.572  -0.209   0.081
  320   1HD1  LEU  41          1HD1      LEU  41  -5.975  -1.084  -0.334
  321   2HD1  LEU  41          2HD1      LEU  41  -7.064  -1.596   0.954
  322   3HD1  LEU  41          3HD1      LEU  41  -5.916  -0.288   1.236
  323   1HD2  LEU  41          1HD2      LEU  41  -7.088   1.265   1.855
  324   2HD2  LEU  41          2HD2      LEU  41  -8.644   1.739   1.179
  325   3HD2  LEU  41          3HD2      LEU  41  -7.148   2.314   0.441
  326    H    ASP  42           H        ASP  42 -10.065  -1.518  -2.729
  327    HA   ASP  42           HA       ASP  42 -12.303  -1.171  -2.923
  328   1HB   ASP  42          2HB       ASP  42 -11.928   0.515  -1.086
  329   2HB   ASP  42          1HB       ASP  42 -11.795   1.749  -2.334
  330    H    GLY  43           H        GLY  43 -11.126   1.982  -4.085
  331   1HA   GLY  43          2HA       GLY  43 -11.778   1.183  -6.819
  332   2HA   GLY  43          1HA       GLY  43 -12.672   2.531  -6.136
  333    H    LYS  44           H        LYS  44  -9.496   2.524  -4.892
  334    HA   LYS  44           HA       LYS  44  -8.704   4.392  -7.015
  335   1HB   LYS  44          2HB       LYS  44  -9.333   5.643  -5.046
  336   2HB   LYS  44          1HB       LYS  44  -8.321   4.631  -4.027
  337   1HG   LYS  44          2HG       LYS  44  -7.062   6.555  -4.266
  338   2HG   LYS  44          1HG       LYS  44  -6.376   5.487  -5.491
  339   1HD   LYS  44          2HD       LYS  44  -7.092   6.774  -7.193
  340   2HD   LYS  44          1HD       LYS  44  -8.632   7.126  -6.410
  341   1HE   LYS  44          2HE       LYS  44  -7.108   9.100  -6.758
  342   2HE   LYS  44          1HE       LYS  44  -7.685   8.862  -5.111
  343   1HZ   LYS  44          1HZ       LYS  44  -5.044   9.026  -6.015
  344   2HZ   LYS  44          2HZ       LYS  44  -5.275   7.463  -5.414
  345   3HZ   LYS  44          3HZ       LYS  44  -5.594   8.802  -4.431
  346    H    GLU  45           H        GLU  45  -6.818   4.146  -7.915
  347    HA   GLU  45           HA       GLU  45  -4.969   2.113  -6.886
  348   1HB   GLU  45          2HB       GLU  45  -5.863   2.026  -9.264
  349   2HB   GLU  45          1HB       GLU  45  -4.934   3.480  -9.582
  350   1HG   GLU  45          2HG       GLU  45  -2.935   2.060  -8.697
  351   2HG   GLU  45          1HG       GLU  45  -3.991   0.699  -9.086
  352    H    GLY  46           H        GLY  46  -3.266   2.962  -5.642
  353   1HA   GLY  46          2HA       GLY  46  -1.907   5.287  -6.722
  354   2HA   GLY  46          1HA       GLY  46  -2.760   5.588  -5.225
  355    H    LEU  47           H        LEU  47  -0.003   5.897  -5.744
  356    HA   LEU  47           HA       LEU  47   1.629   3.853  -4.821
  357   1HB   LEU  47          2HB       LEU  47   2.053   6.256  -5.873
  358   2HB   LEU  47          1HB       LEU  47   2.321   6.666  -4.188
  359    HG   LEU  47           HG       LEU  47   3.868   4.446  -4.417
  360   1HD1  LEU  47          1HD1      LEU  47   4.014   5.878  -7.065
  361   2HD1  LEU  47          2HD1      LEU  47   3.431   4.237  -6.802
  362   3HD1  LEU  47          3HD1      LEU  47   5.122   4.626  -6.504
  363   1HD2  LEU  47          1HD2      LEU  47   4.882   6.218  -3.405
  364   2HD2  LEU  47          2HD2      LEU  47   4.344   7.367  -4.631
  365   3HD2  LEU  47          3HD2      LEU  47   5.693   6.282  -4.972
  366    H    ILE  48           H        ILE  48   2.569   3.499  -2.755
  367    HA   ILE  48           HA       ILE  48   1.565   5.031  -0.492
  368    HB   ILE  48           HB       ILE  48   0.817   3.064   0.758
  369   1HG1  ILE  48          2HG1      ILE  48   2.228   1.415  -0.486
  370   2HG1  ILE  48          1HG1      ILE  48   0.569   0.904  -0.211
  371   1HG2  ILE  48          1HG2      ILE  48  -0.888   4.280  -0.275
  372   2HG2  ILE  48          2HG2      ILE  48  -1.247   2.582  -0.572
  373   3HG2  ILE  48          3HG2      ILE  48  -0.555   3.577  -1.852
  374   1HD1  ILE  48          1HD1      ILE  48   0.139   0.774  -2.376
  375   2HD1  ILE  48          2HD1      ILE  48   1.881   0.772  -2.576
  376   3HD1  ILE  48          3HD1      ILE  48   0.968   2.269  -2.753
  377    HA   PRO  49           HA       PRO  49   5.412   4.040   1.467
  378   1HB   PRO  49          2HB       PRO  49   4.726   3.282   3.984
  379   2HB   PRO  49          1HB       PRO  49   4.705   4.960   3.431
  380   1HG   PRO  49          2HG       PRO  49   2.440   3.023   3.691
  381   2HG   PRO  49          1HG       PRO  49   2.505   4.736   4.127
  382   1HD   PRO  49          2HD       PRO  49   1.347   3.865   1.857
  383   2HD   PRO  49          1HD       PRO  49   2.161   5.433   1.958
  384    H    SER  50           H        SER  50   6.606   2.225   0.992
  385    HA   SER  50           HA       SER  50   5.363  -0.390   1.000
  386   1HB   SER  50          2HB       SER  50   7.992   0.722   0.148
  387   2HB   SER  50          1HB       SER  50   7.947  -0.980   0.586
  388    HG   SER  50           HG       SER  50   5.937  -0.835  -0.904
  389    H    ASN  51           H        ASN  51   7.603   1.370   3.048
  390    HA   ASN  51           HA       ASN  51   8.361  -0.846   4.628
  391   1HB   ASN  51          2HB       ASN  51   8.400   2.097   5.314
  392   2HB   ASN  51          1HB       ASN  51   9.317   0.832   6.126
  393   1HD2  ASN  51          1HD2      ASN  51  11.206   2.041   5.608
  394   2HD2  ASN  51          2HD2      ASN  51  11.901   1.938   4.030
  395    H    TYR  52           H        TYR  52   5.409   0.771   4.532
  396    HA   TYR  52           HA       TYR  52   4.816   0.293   7.360
  397   1HB   TYR  52          2HB       TYR  52   3.394   1.786   5.163
  398   2HB   TYR  52          1HB       TYR  52   2.626   1.452   6.708
  399    HD1  TYR  52           1HD      TYR  52   2.367   3.743   7.365
  400    HD2  TYR  52           2HD      TYR  52   6.222   2.250   6.364
  401    HE1  TYR  52           1HE      TYR  52   3.399   5.761   8.314
  402    HE2  TYR  52           2HE      TYR  52   7.258   4.260   7.305
  403    HH   TYR  52           HH       TYR  52   6.762   6.025   8.874
  404    H    ILE  53           H        ILE  53   4.859  -1.512   4.664
  405    HA   ILE  53           HA       ILE  53   2.886  -3.274   5.761
  406    HB   ILE  53           HB       ILE  53   1.283  -2.938   4.253
  407   1HG1  ILE  53          2HG1      ILE  53   2.484  -4.714   2.923
  408   2HG1  ILE  53          1HG1      ILE  53   1.385  -3.691   2.031
  409   1HG2  ILE  53          1HG2      ILE  53   3.006  -1.132   2.600
  410   2HG2  ILE  53          2HG2      ILE  53   2.261  -0.636   4.119
  411   3HG2  ILE  53          3HG2      ILE  53   1.249  -1.122   2.761
  412   1HD1  ILE  53          1HD1      ILE  53   3.966  -2.528   1.944
  413   2HD1  ILE  53          2HD1      ILE  53   2.962  -3.146   0.630
  414   3HD1  ILE  53          3HD1      ILE  53   4.066  -4.228   1.482
  415    H    GLU  54           H        GLU  54   2.953  -5.455   4.600
  416    HA   GLU  54           HA       GLU  54   5.470  -6.073   3.217
  417   1HB   GLU  54          2HB       GLU  54   5.701  -8.082   4.704
  418   2HB   GLU  54          1HB       GLU  54   6.069  -6.538   5.460
  419   1HG   GLU  54          2HG       GLU  54   4.310  -6.648   6.862
  420   2HG   GLU  54          1HG       GLU  54   3.296  -7.510   5.712
  421    H    MET  55           H        MET  55   5.398  -8.254   2.235
  422    HA   MET  55           HA       MET  55   3.041  -8.716   0.805
  423   1HB   MET  55          2HB       MET  55   4.135 -10.900   0.203
  424   2HB   MET  55          1HB       MET  55   5.086  -9.453  -0.115
  425   1HG   MET  55          2HG       MET  55   5.709 -10.300   2.503
  426   2HG   MET  55          1HG       MET  55   5.743 -11.727   1.469
  427   1HE   MET  55          1HE       MET  55   7.117 -12.270  -0.184
  428   2HE   MET  55          2HE       MET  55   8.719 -11.609  -0.512
  429   3HE   MET  55          3HE       MET  55   7.310 -10.973  -1.363
  430    H    LYS  56           H        LYS  56   1.265  -9.782   1.113
  431    HA   LYS  56           HA       LYS  56   0.876 -11.353   3.554
  432   1HB   LYS  56          2HB       LYS  56  -0.826  -9.582   2.121
  433   2HB   LYS  56          1HB       LYS  56  -1.484 -11.193   1.905
  434   1HG   LYS  56          2HG       LYS  56  -0.770 -10.083   4.602
  435   2HG   LYS  56          1HG       LYS  56  -2.354  -9.855   3.860
  436   1HD   LYS  56          2HD       LYS  56  -1.630 -12.612   3.680
  437   2HD   LYS  56          1HD       LYS  56  -1.414 -12.072   5.345
  438   1HE   LYS  56          2HE       LYS  56  -3.916 -11.575   3.745
  439   2HE   LYS  56          1HE       LYS  56  -3.694 -12.979   4.788
  440   1HZ   LYS  56          1HZ       LYS  56  -4.796 -10.736   5.629
  441   2HZ   LYS  56          2HZ       LYS  56  -3.182 -10.365   5.972
  442   3HZ   LYS  56          3HZ       LYS  56  -3.895 -11.741   6.651
  443    H    ASN  57           H        ASN  57   2.117 -11.830   0.707
  444    HA   ASN  57           HA       ASN  57   0.705 -14.346   0.120
  445   1HB   ASN  57          2HB       ASN  57   1.823 -14.158  -2.144
  446   2HB   ASN  57          1HB       ASN  57   0.600 -12.938  -1.796
  447   1HD2  ASN  57          1HD2      ASN  57   1.173 -10.823  -1.696
  448   2HD2  ASN  57          2HD2      ASN  57   2.767 -10.239  -2.016
  449    H    HIS  58           H        HIS  58   2.304 -14.749   2.168
  450    HA   HIS  58           HA       HIS  58   5.037 -15.288   1.543
  451   1HB   HIS  58          2HB       HIS  58   3.478 -16.723   3.688
  452   2HB   HIS  58          1HB       HIS  58   5.194 -16.341   3.652
  453    HD1  HIS  58           1HD      HIS  58   1.900 -14.427   3.817
  454    HD2  HIS  58           2HD      HIS  58   5.823 -14.202   5.165
  455    HE1  HIS  58           1HE      HIS  58   1.989 -12.391   5.282
  456    HE2  HIS  58           2HE      HIS  58   4.378 -12.258   6.069
  457    H    ASP  59           H        ASP  59   2.315 -17.536   2.147
  458    HA   ASP  59           HA       ASP  59   3.325 -19.250   0.002
  459   1HB   ASP  59          2HB       ASP  59   4.118 -19.969   2.397
  460   2HB   ASP  59          1HB       ASP  59   2.466 -20.559   2.559
  Start of MODEL    8
    1   1H    MET   1          1HT       MET   1  -2.132 -11.569  -6.346
    2   2H    MET   1          2HT       MET   1  -1.965 -10.064  -7.152
    3   3H    MET   1          3HT       MET   1  -3.092 -10.232  -5.869
    4    HA   MET   1           HA       MET   1  -0.631 -11.022  -4.897
    5   1HB   MET   1          2HB       MET   1  -0.372  -9.091  -6.982
    6   2HB   MET   1          1HB       MET   1   0.006  -8.319  -5.451
    7   1HG   MET   1          2HG       MET   1   2.042  -9.152  -5.686
    8   2HG   MET   1          1HG       MET   1   1.339 -10.719  -5.292
    9   1HE   MET   1          1HE       MET   1   3.562 -12.052  -7.984
   10   2HE   MET   1          2HE       MET   1   2.288 -12.748  -6.981
   11   3HE   MET   1          3HE       MET   1   3.428 -11.596  -6.286
   12    H    GLU   2           H        GLU   2  -0.655 -10.554  -2.810
   13    HA   GLU   2           HA       GLU   2  -2.244  -8.248  -1.941
   14   1HB   GLU   2          2HB       GLU   2  -3.044  -9.718   0.012
   15   2HB   GLU   2          1HB       GLU   2  -3.825  -9.886  -1.554
   16   1HG   GLU   2          2HG       GLU   2  -2.556 -11.894  -2.009
   17   2HG   GLU   2          1HG       GLU   2  -1.671 -11.706  -0.496
   18    H    ALA   3           H        ALA   3  -1.570  -7.227  -0.134
   19    HA   ALA   3           HA       ALA   3   0.699  -8.139   1.398
   20   1HB   ALA   3          1HB       ALA   3   1.003  -5.359   0.858
   21   2HB   ALA   3          2HB       ALA   3   0.887  -6.256  -0.649
   22   3HB   ALA   3          3HB       ALA   3   2.123  -6.682   0.523
   23    H    ILE   4           H        ILE   4   0.664  -7.326   3.557
   24    HA   ILE   4           HA       ILE   4  -1.737  -5.743   4.190
   25    HB   ILE   4           HB       ILE   4  -1.524  -8.001   5.282
   26   1HG1  ILE   4          2HG1      ILE   4  -1.459  -6.043   7.505
   27   2HG1  ILE   4          1HG1      ILE   4  -2.604  -5.732   6.208
   28   1HG2  ILE   4          1HG2      ILE   4   0.925  -6.723   6.395
   29   2HG2  ILE   4          2HG2      ILE   4   0.664  -8.376   5.839
   30   3HG2  ILE   4          3HG2      ILE   4   0.013  -7.856   7.392
   31   1HD1  ILE   4          1HD1      ILE   4  -2.625  -8.487   7.175
   32   2HD1  ILE   4          2HD1      ILE   4  -3.960  -7.381   6.846
   33   3HD1  ILE   4          3HD1      ILE   4  -3.088  -7.282   8.377
   34    H    ALA   5           H        ALA   5  -1.482  -4.015   5.850
   35    HA   ALA   5           HA       ALA   5   1.289  -3.078   6.006
   36   1HB   ALA   5          1HB       ALA   5  -1.050  -1.713   4.812
   37   2HB   ALA   5          2HB       ALA   5   0.611  -1.718   4.277
   38   3HB   ALA   5          3HB       ALA   5   0.133  -0.711   5.636
   39    H    LYS   6           H        LYS   6   1.681  -3.140   8.291
   40    HA   LYS   6           HA       LYS   6  -0.474  -1.844   9.852
   41   1HB   LYS   6          2HB       LYS   6   0.028  -4.087  10.647
   42   2HB   LYS   6          1HB       LYS   6   1.741  -3.707  10.720
   43   1HG   LYS   6          2HG       LYS   6   1.542  -2.529  12.666
   44   2HG   LYS   6          1HG       LYS   6  -0.125  -2.071  12.335
   45   1HD   LYS   6          2HD       LYS   6  -0.962  -3.876  13.343
   46   2HD   LYS   6          1HD       LYS   6   0.266  -4.943  12.658
   47   1HE   LYS   6          2HE       LYS   6   1.880  -3.982  14.329
   48   2HE   LYS   6          1HE       LYS   6   0.505  -3.175  15.085
   49   1HZ   LYS   6          1HZ       LYS   6   1.043  -5.279  16.164
   50   2HZ   LYS   6          2HZ       LYS   6   0.775  -6.109  14.715
   51   3HZ   LYS   6          3HZ       LYS   6  -0.506  -5.318  15.485
   52    H    HIS   7           H        HIS   7   0.057   0.210   9.459
   53    HA   HIS   7           HA       HIS   7   1.550   1.388  11.328
   54   1HB   HIS   7          2HB       HIS   7   2.982   1.019   8.771
   55   2HB   HIS   7          1HB       HIS   7   2.982   2.672   9.376
   56    HD1  HIS   7           1HD      HIS   7   3.010   1.668  12.430
   57    HD2  HIS   7           2HD      HIS   7   5.700   0.667   9.431
   58    HE1  HIS   7           1HE      HIS   7   5.088   0.938  13.616
   59    HE2  HIS   7           2HE      HIS   7   6.683   0.263  11.789
   60    H    ASP   8           H        ASP   8   0.211   3.355  11.591
   61    HA   ASP   8           HA       ASP   8  -1.835   3.738   9.674
   62   1HB   ASP   8          2HB       ASP   8  -1.164   4.962  12.154
   63   2HB   ASP   8          1HB       ASP   8  -1.278   6.253  10.963
   64    H    PHE   9           H        PHE   9  -2.026   5.595   8.123
   65    HA   PHE   9           HA       PHE   9   0.265   7.203   7.640
   66   1HB   PHE   9          2HB       PHE   9   0.903   4.915   6.633
   67   2HB   PHE   9          1HB       PHE   9  -0.227   5.331   5.352
   68    HD1  PHE   9           1HD      PHE   9   0.172   7.510   4.071
   69    HD2  PHE   9           2HD      PHE   9   3.066   5.764   6.627
   70    HE1  PHE   9           1HE      PHE   9   1.945   8.818   2.972
   71    HE2  PHE   9           2HE      PHE   9   4.843   7.059   5.543
   72    HZ   PHE   9           HZ       PHE   9   4.281   8.594   3.706
   73    H    SER  10           H        SER  10   0.105   8.744   6.237
   74    HA   SER  10           HA       SER  10  -2.357   8.979   4.701
   75   1HB   SER  10          2HB       SER  10  -1.332  11.499   5.935
   76   2HB   SER  10          1HB       SER  10  -2.978  11.057   5.488
   77    HG   SER  10           HG       SER  10  -2.719  11.093   7.748
   78    H    ALA  11           H        ALA  11  -1.416   8.656   2.812
   79    HA   ALA  11           HA       ALA  11   0.776   8.861   1.485
   80   1HB   ALA  11          1HB       ALA  11  -0.898   8.672   0.025
   81   2HB   ALA  11          2HB       ALA  11  -0.643  10.404  -0.203
   82   3HB   ALA  11          3HB       ALA  11  -1.916   9.830   0.872
   83    H    THR  12           H        THR  12   2.251  10.063   0.614
   84    HA   THR  12           HA       THR  12   2.529  12.807   1.586
   85    HB   THR  12           HB       THR  12   4.427  10.555   1.124
   86    HG1  THR  12           1HG      THR  12   4.079  11.208   3.186
   87   1HG2  THR  12          1HG2      THR  12   5.539  11.894  -0.442
   88   2HG2  THR  12          2HG2      THR  12   6.352  12.235   1.087
   89   3HG2  THR  12          3HG2      THR  12   5.188  13.386   0.433
   90    H    ALA  13           H        ALA  13   1.810  10.997  -1.145
   91    HA   ALA  13           HA       ALA  13   2.240  13.322  -2.904
   92   1HB   ALA  13          1HB       ALA  13   3.426  10.763  -3.188
   93   2HB   ALA  13          2HB       ALA  13   3.455  12.100  -4.335
   94   3HB   ALA  13          3HB       ALA  13   2.174  10.891  -4.423
   95    H    ASP  14           H        ASP  14   0.495  13.534  -4.539
   96    HA   ASP  14           HA       ASP  14  -2.063  13.052  -3.532
   97   1HB   ASP  14          2HB       ASP  14  -2.862  13.666  -5.802
   98   2HB   ASP  14          1HB       ASP  14  -1.706  14.814  -5.135
   99    H    ASP  15           H        ASP  15  -0.137  11.254  -5.852
  100    HA   ASP  15           HA       ASP  15  -2.280   9.355  -6.350
  101   1HB   ASP  15          2HB       ASP  15  -0.186  10.210  -7.891
  102   2HB   ASP  15          1HB       ASP  15   0.449   8.694  -7.262
  103    H    GLU  16           H        GLU  16  -1.143   9.709  -3.611
  104    HA   GLU  16           HA       GLU  16  -0.077   7.004  -3.225
  105   1HB   GLU  16          2HB       GLU  16   0.363   9.533  -1.656
  106   2HB   GLU  16          1HB       GLU  16   0.747   7.945  -1.015
  107   1HG   GLU  16          2HG       GLU  16   1.915   8.091  -3.559
  108   2HG   GLU  16          1HG       GLU  16   2.254   9.609  -2.755
  109    H    LEU  17           H        LEU  17  -1.466   5.660  -2.454
  110    HA   LEU  17           HA       LEU  17  -4.013   6.449  -1.406
  111   1HB   LEU  17          2HB       LEU  17  -3.285   4.369  -2.803
  112   2HB   LEU  17          1HB       LEU  17  -2.887   3.685  -1.239
  113    HG   LEU  17           HG       LEU  17  -5.534   4.820  -1.175
  114   1HD1  LEU  17          1HD1      LEU  17  -5.219   2.604  -3.175
  115   2HD1  LEU  17          2HD1      LEU  17  -5.319   4.299  -3.645
  116   3HD1  LEU  17          3HD1      LEU  17  -6.663   3.540  -2.793
  117   1HD2  LEU  17          1HD2      LEU  17  -5.596   3.196   0.323
  118   2HD2  LEU  17          2HD2      LEU  17  -4.076   2.527  -0.270
  119   3HD2  LEU  17          3HD2      LEU  17  -5.602   2.021  -0.992
  120    H    SER  18           H        SER  18  -4.519   6.779   0.669
  121    HA   SER  18           HA       SER  18  -2.625   6.144   2.797
  122   1HB   SER  18          2HB       SER  18  -3.553   8.311   3.025
  123   2HB   SER  18          1HB       SER  18  -5.184   7.741   2.680
  124    HG   SER  18           HG       SER  18  -4.739   6.454   4.755
  125    H    PHE  19           H        PHE  19  -3.463   5.222   4.837
  126    HA   PHE  19           HA       PHE  19  -5.791   3.608   4.877
  127   1HB   PHE  19          2HB       PHE  19  -4.612   1.395   4.976
  128   2HB   PHE  19          1HB       PHE  19  -4.606   2.153   3.387
  129    HD1  PHE  19           1HD      PHE  19  -2.653   2.037   2.225
  130    HD2  PHE  19           2HD      PHE  19  -2.498   2.178   6.473
  131    HE1  PHE  19           1HE      PHE  19  -0.210   1.857   2.144
  132    HE2  PHE  19           2HE      PHE  19  -0.048   2.011   6.396
  133    HZ   PHE  19           HZ       PHE  19   1.103   1.848   4.225
  134    H    ARG  20           H        ARG  20  -5.501   1.835   6.711
  135    HA   ARG  20           HA       ARG  20  -4.298   3.250   8.995
  136   1HB   ARG  20          2HB       ARG  20  -6.037   1.921  10.338
  137   2HB   ARG  20          1HB       ARG  20  -6.611   3.273   9.376
  138   1HG   ARG  20          2HG       ARG  20  -6.627   0.617   8.080
  139   2HG   ARG  20          1HG       ARG  20  -7.794   0.891   9.376
  140   1HD   ARG  20          2HD       ARG  20  -7.776   3.183   7.693
  141   2HD   ARG  20          1HD       ARG  20  -7.898   1.756   6.675
  142    HE   ARG  20           HE       ARG  20  -9.984   1.297   7.579
  143   1HH1  ARG  20          1HH1      ARG  20  -8.502   3.985   9.245
  144   2HH1  ARG  20          2HH1      ARG  20  -9.972   4.479  10.014
  145   1HH2  ARG  20          1HH2      ARG  20 -11.921   1.952   8.589
  146   2HH2  ARG  20          2HH2      ARG  20 -11.910   3.325   9.647
  147    H    LYS  21           H        LYS  21  -3.657   1.714  10.852
  148    HA   LYS  21           HA       LYS  21  -1.850  -0.235   9.918
  149   1HB   LYS  21          2HB       LYS  21  -2.819   0.756  12.491
  150   2HB   LYS  21          1HB       LYS  21  -2.507  -0.974  12.532
  151   1HG   LYS  21          2HG       LYS  21  -0.270  -0.705  12.299
  152   2HG   LYS  21          1HG       LYS  21  -0.437   0.752  11.335
  153   1HD   LYS  21          2HD       LYS  21   0.098   1.907  13.151
  154   2HD   LYS  21          1HD       LYS  21  -1.462   1.430  13.823
  155   1HE   LYS  21          2HE       LYS  21  -0.552  -0.224  15.122
  156   2HE   LYS  21          1HE       LYS  21   0.820  -0.469  14.039
  157   1HZ   LYS  21          1HZ       LYS  21   0.874   0.905  16.379
  158   2HZ   LYS  21          2HZ       LYS  21   0.778   2.140  15.231
  159   3HZ   LYS  21          3HZ       LYS  21   2.033   1.012  15.151
  160    H    THR  22           H        THR  22  -2.074  -2.440   9.631
  161    HA   THR  22           HA       THR  22  -2.934  -4.507   9.656
  162    HB   THR  22           HB       THR  22  -4.194  -3.438  11.803
  163    HG1  THR  22           1HG      THR  22  -4.257  -5.465  12.364
  164   1HG2  THR  22          1HG2      THR  22  -6.275  -2.859  10.817
  165   2HG2  THR  22          2HG2      THR  22  -6.520  -4.341  11.733
  166   3HG2  THR  22          3HG2      THR  22  -6.382  -4.408   9.979
  167    H    GLN  23           H        GLN  23  -4.058  -2.020   7.778
  168    HA   GLN  23           HA       GLN  23  -6.273  -3.482   6.661
  169   1HB   GLN  23          2HB       GLN  23  -5.262  -0.808   6.319
  170   2HB   GLN  23          1HB       GLN  23  -5.518  -1.568   4.752
  171   1HG   GLN  23          2HG       GLN  23  -7.796  -2.238   6.118
  172   2HG   GLN  23          1HG       GLN  23  -7.448  -0.615   6.713
  173   1HE2  GLN  23          1HE2      GLN  23  -8.361   0.941   5.584
  174   2HE2  GLN  23          2HE2      GLN  23  -8.760   0.899   3.907
  175    H    ILE  24           H        ILE  24  -6.356  -3.916   4.264
  176    HA   ILE  24           HA       ILE  24  -3.864  -5.283   3.476
  177    HB   ILE  24           HB       ILE  24  -5.701  -6.353   1.795
  178   1HG1  ILE  24          2HG1      ILE  24  -7.528  -5.107   3.020
  179   2HG1  ILE  24          1HG1      ILE  24  -7.751  -6.846   2.898
  180   1HG2  ILE  24          1HG2      ILE  24  -5.469  -7.642   4.455
  181   2HG2  ILE  24          2HG2      ILE  24  -3.993  -7.314   3.551
  182   3HG2  ILE  24          3HG2      ILE  24  -5.257  -8.315   2.840
  183   1HD1  ILE  24          1HD1      ILE  24  -7.345  -7.185   5.150
  184   2HD1  ILE  24          2HD1      ILE  24  -8.264  -5.680   5.125
  185   3HD1  ILE  24          3HD1      ILE  24  -6.515  -5.642   5.340
  186    H    LEU  25           H        LEU  25  -2.790  -4.563   1.730
  187    HA   LEU  25           HA       LEU  25  -4.247  -2.733  -0.049
  188   1HB   LEU  25          2HB       LEU  25  -1.258  -2.865   0.327
  189   2HB   LEU  25          1HB       LEU  25  -2.146  -1.694  -0.629
  190    HG   LEU  25           HG       LEU  25  -1.496  -0.607   1.376
  191   1HD1  LEU  25          1HD1      LEU  25  -4.037  -0.637   0.541
  192   2HD1  LEU  25          2HD1      LEU  25  -3.480   0.328   1.907
  193   3HD1  LEU  25          3HD1      LEU  25  -4.264  -1.225   2.187
  194   1HD2  LEU  25          1HD2      LEU  25  -2.348  -1.548   3.595
  195   2HD2  LEU  25          2HD2      LEU  25  -0.934  -2.307   2.865
  196   3HD2  LEU  25          3HD2      LEU  25  -2.511  -3.073   2.739
  197    H    LYS  26           H        LYS  26  -4.183  -2.965  -2.229
  198    HA   LYS  26           HA       LYS  26  -3.567  -5.614  -3.237
  199   1HB   LYS  26          2HB       LYS  26  -5.582  -4.034  -3.736
  200   2HB   LYS  26          1HB       LYS  26  -4.478  -3.262  -4.860
  201   1HG   LYS  26          2HG       LYS  26  -5.667  -4.790  -6.150
  202   2HG   LYS  26          1HG       LYS  26  -4.111  -5.568  -5.852
  203   1HD   LYS  26          2HD       LYS  26  -5.216  -7.328  -5.055
  204   2HD   LYS  26          1HD       LYS  26  -5.758  -6.320  -3.712
  205   1HE   LYS  26          2HE       LYS  26  -7.393  -5.685  -5.920
  206   2HE   LYS  26          1HE       LYS  26  -7.281  -7.442  -5.863
  207   1HZ   LYS  26          1HZ       LYS  26  -9.064  -6.971  -4.495
  208   2HZ   LYS  26          2HZ       LYS  26  -8.346  -5.593  -3.828
  209   3HZ   LYS  26          3HZ       LYS  26  -7.800  -7.132  -3.383
  210    H    ILE  27           H        ILE  27  -1.314  -5.783  -3.424
  211    HA   ILE  27           HA       ILE  27   0.262  -3.678  -4.600
  212    HB   ILE  27           HB       ILE  27   1.080  -6.549  -4.215
  213   1HG1  ILE  27          2HG1      ILE  27   0.191  -5.447  -2.137
  214   2HG1  ILE  27          1HG1      ILE  27   1.863  -5.991  -2.041
  215   1HG2  ILE  27          1HG2      ILE  27   3.193  -5.935  -4.689
  216   2HG2  ILE  27          2HG2      ILE  27   3.009  -4.335  -3.972
  217   3HG2  ILE  27          3HG2      ILE  27   2.386  -4.652  -5.591
  218   1HD1  ILE  27          1HD1      ILE  27   2.224  -3.972  -1.168
  219   2HD1  ILE  27          2HD1      ILE  27   0.737  -3.302  -1.836
  220   3HD1  ILE  27          3HD1      ILE  27   2.182  -3.416  -2.840
  221    H    LEU  28           H        LEU  28   0.741  -3.400  -6.766
  222    HA   LEU  28           HA       LEU  28   0.214  -5.648  -8.566
  223   1HB   LEU  28          2HB       LEU  28  -1.004  -3.007  -9.236
  224   2HB   LEU  28          1HB       LEU  28  -1.391  -4.595  -9.866
  225    HG   LEU  28           HG       LEU  28  -1.987  -4.673  -7.106
  226   1HD1  LEU  28          1HD1      LEU  28  -1.934  -2.075  -7.635
  227   2HD1  LEU  28          2HD1      LEU  28  -3.130  -2.795  -6.559
  228   3HD1  LEU  28          3HD1      LEU  28  -3.556  -2.433  -8.228
  229   1HD2  LEU  28          1HD2      LEU  28  -3.783  -5.696  -7.918
  230   2HD2  LEU  28          2HD2      LEU  28  -3.133  -5.390  -9.530
  231   3HD2  LEU  28          3HD2      LEU  28  -4.280  -4.258  -8.811
  232    H    ASN  29           H        ASN  29   1.966  -2.644  -8.026
  233    HA   ASN  29           HA       ASN  29   3.439  -3.334 -10.418
  234   1HB   ASN  29          2HB       ASN  29   1.859  -1.999 -11.498
  235   2HB   ASN  29          1HB       ASN  29   1.805  -0.833 -10.186
  236   1HD2  ASN  29          1HD2      ASN  29   2.546   1.009 -10.806
  237   2HD2  ASN  29          2HD2      ASN  29   3.879   1.315 -11.851
  238    H    MET  30           H        MET  30   5.335  -3.394  -9.987
  239    HA   MET  30           HA       MET  30   6.652  -1.347  -8.397
  240   1HB   MET  30          2HB       MET  30   8.542  -3.180  -8.345
  241   2HB   MET  30          1HB       MET  30   7.256  -3.158  -7.152
  242   1HG   MET  30          2HG       MET  30   6.311  -4.731  -9.279
  243   2HG   MET  30          1HG       MET  30   7.978  -5.219  -9.004
  244   1HE   MET  30          1HE       MET  30   5.293  -7.719  -7.281
  245   2HE   MET  30          2HE       MET  30   6.869  -7.908  -8.049
  246   3HE   MET  30          3HE       MET  30   5.590  -7.014  -8.871
  247    H    GLU  31           H        GLU  31   7.995  -0.207  -9.428
  248    HA   GLU  31           HA       GLU  31   9.475  -0.898 -11.839
  249   1HB   GLU  31          2HB       GLU  31   6.825   0.408 -11.971
  250   2HB   GLU  31          1HB       GLU  31   8.124   1.241 -12.815
  251   1HG   GLU  31          2HG       GLU  31   8.328  -1.499 -13.459
  252   2HG   GLU  31          1HG       GLU  31   6.635  -1.044 -13.625
  253    H    ASP  32           H        ASP  32   7.852   1.673 -10.097
  254    HA   ASP  32           HA       ASP  32   9.807   3.594 -10.718
  255   1HB   ASP  32          2HB       ASP  32   7.260   3.455  -9.257
  256   2HB   ASP  32          1HB       ASP  32   8.387   4.654  -8.627
  257    H    ASP  33           H        ASP  33   9.113   1.689  -7.660
  258    HA   ASP  33           HA       ASP  33  11.865   2.065  -6.986
  259   1HB   ASP  33          2HB       ASP  33  10.227   4.223  -6.471
  260   2HB   ASP  33          1HB       ASP  33  10.288   3.390  -4.921
  261    H    SER  34           H        SER  34  12.534   0.817  -5.404
  262    HA   SER  34           HA       SER  34  10.993  -1.394  -4.436
  263   1HB   SER  34          2HB       SER  34  13.009  -1.939  -3.218
  264   2HB   SER  34          1HB       SER  34  13.438  -1.439  -4.853
  265    HG   SER  34           HG       SER  34  14.144   0.500  -4.076
  266    H    ASN  35           H        ASN  35   9.909   1.375  -3.700
  267    HA   ASN  35           HA       ASN  35   9.879   0.924  -0.780
  268   1HB   ASN  35          2HB       ASN  35  11.329   2.946  -2.176
  269   2HB   ASN  35          1HB       ASN  35  10.053   3.705  -1.226
  270   1HD2  ASN  35          1HD2      ASN  35  12.904   3.818  -0.841
  271   2HD2  ASN  35          2HD2      ASN  35  13.215   3.184   0.734
  272    H    TRP  36           H        TRP  36   8.383   2.320  -3.603
  273    HA   TRP  36           HA       TRP  36   5.986   2.806  -1.980
  274   1HB   TRP  36          2HB       TRP  36   6.978   4.479  -4.301
  275   2HB   TRP  36          1HB       TRP  36   5.458   4.722  -3.445
  276    HD1  TRP  36           HD       TRP  36   9.141   5.484  -3.239
  277    HE1  TRP  36           1HE      TRP  36   9.621   6.925  -1.164
  278    HE3  TRP  36           3HE      TRP  36   4.590   5.124  -0.912
  279    HZ2  TRP  36           2HZ      TRP  36   8.264   7.791   1.147
  280    HZ3  TRP  36           3HZ      TRP  36   4.280   6.296   1.227
  281    HH2  TRP  36           HH       TRP  36   6.073   7.599   2.234
  282    H    TYR  37           H        TYR  37   4.540   1.346  -2.510
  283    HA   TYR  37           HA       TYR  37   4.695   0.078  -5.128
  284   1HB   TYR  37          2HB       TYR  37   3.479  -0.594  -2.492
  285   2HB   TYR  37          1HB       TYR  37   2.766  -1.312  -3.930
  286    HD1  TYR  37           1HD      TYR  37   4.446  -2.426  -1.426
  287    HD2  TYR  37           2HD      TYR  37   5.246  -1.760  -5.550
  288    HE1  TYR  37           1HE      TYR  37   6.136  -4.211  -1.378
  289    HE2  TYR  37           2HE      TYR  37   6.940  -3.543  -5.508
  290    HH   TYR  37           HH       TYR  37   7.773  -5.240  -2.518
  291    H    ARG  38           H        ARG  38   2.943  -0.171  -6.524
  292    HA   ARG  38           HA       ARG  38   0.958   1.962  -6.281
  293   1HB   ARG  38          2HB       ARG  38   2.412   1.082  -8.492
  294   2HB   ARG  38          1HB       ARG  38   0.857   0.289  -8.711
  295   1HG   ARG  38          2HG       ARG  38  -0.289   2.403  -8.677
  296   2HG   ARG  38          1HG       ARG  38   1.202   3.249  -8.267
  297   1HD   ARG  38          2HD       ARG  38   2.045   2.135 -10.484
  298   2HD   ARG  38          1HD       ARG  38   0.329   2.077 -10.864
  299    HE   ARG  38           HE       ARG  38   1.257   4.651  -9.986
  300   1HH1  ARG  38          1HH1      ARG  38   0.837   2.537 -12.734
  301   2HH1  ARG  38          2HH1      ARG  38   0.864   3.828 -13.888
  302   1HH2  ARG  38          1HH2      ARG  38   1.298   6.346 -11.503
  303   2HH2  ARG  38          2HH2      ARG  38   1.126   5.990 -13.190
  304    H    ALA  39           H        ALA  39  -0.491   1.206  -4.893
  305    HA   ALA  39           HA       ALA  39  -1.469  -1.524  -5.267
  306   1HB   ALA  39          1HB       ALA  39  -0.431  -0.946  -3.076
  307   2HB   ALA  39          2HB       ALA  39  -2.098  -1.505  -2.943
  308   3HB   ALA  39          3HB       ALA  39  -1.731   0.217  -2.817
  309    H    GLU  40           H        GLU  40  -3.747  -1.836  -4.520
  310    HA   GLU  40           HA       GLU  40  -5.435   0.346  -5.538
  311   1HB   GLU  40          2HB       GLU  40  -5.114  -1.841  -6.968
  312   2HB   GLU  40          1HB       GLU  40  -6.300  -2.494  -5.844
  313   1HG   GLU  40          2HG       GLU  40  -7.637  -0.341  -6.438
  314   2HG   GLU  40          1HG       GLU  40  -6.604  -0.327  -7.865
  315    H    LEU  41           H        LEU  41  -7.465   0.617  -4.624
  316    HA   LEU  41           HA       LEU  41  -8.329  -1.044  -2.425
  317   1HB   LEU  41          2HB       LEU  41  -6.674   0.310  -1.313
  318   2HB   LEU  41          1HB       LEU  41  -7.342   1.775  -2.009
  319    HG   LEU  41           HG       LEU  41  -9.474   1.200  -0.718
  320   1HD1  LEU  41          1HD1      LEU  41  -7.708  -0.290   1.143
  321   2HD1  LEU  41          2HD1      LEU  41  -8.411  -1.148  -0.227
  322   3HD1  LEU  41          3HD1      LEU  41  -9.460  -0.357   0.949
  323   1HD2  LEU  41          1HD2      LEU  41  -8.465   3.056   0.130
  324   2HD2  LEU  41          2HD2      LEU  41  -6.925   2.237   0.344
  325   3HD2  LEU  41          3HD2      LEU  41  -8.222   1.960   1.491
  326    H    ASP  42           H        ASP  42 -10.399  -1.185  -2.603
  327    HA   ASP  42           HA       ASP  42 -12.529  -0.896  -3.328
  328   1HB   ASP  42          2HB       ASP  42 -13.495   1.360  -2.484
  329   2HB   ASP  42          1HB       ASP  42 -12.910   0.173  -1.325
  330    H    GLY  43           H        GLY  43 -10.419   0.133  -5.298
  331   1HA   GLY  43          2HA       GLY  43 -11.280   0.567  -7.554
  332   2HA   GLY  43          1HA       GLY  43 -12.341   1.764  -6.840
  333    H    LYS  44           H        LYS  44  -9.310   2.066  -5.358
  334    HA   LYS  44           HA       LYS  44  -8.589   4.103  -7.348
  335   1HB   LYS  44          2HB       LYS  44  -9.432   4.665  -4.863
  336   2HB   LYS  44          1HB       LYS  44  -7.729   4.410  -4.509
  337   1HG   LYS  44          2HG       LYS  44  -8.074   6.736  -4.871
  338   2HG   LYS  44          1HG       LYS  44  -7.183   6.098  -6.252
  339   1HD   LYS  44          2HD       LYS  44 -10.065   5.976  -6.630
  340   2HD   LYS  44          1HD       LYS  44  -9.490   7.621  -6.349
  341   1HE   LYS  44          2HE       LYS  44  -8.434   5.708  -8.428
  342   2HE   LYS  44          1HE       LYS  44  -9.514   7.068  -8.734
  343   1HZ   LYS  44          1HZ       LYS  44  -6.770   7.290  -7.616
  344   2HZ   LYS  44          2HZ       LYS  44  -7.801   8.575  -7.992
  345   3HZ   LYS  44          3HZ       LYS  44  -7.191   7.594  -9.226
  346    H    GLU  45           H        GLU  45  -6.584   4.056  -8.154
  347    HA   GLU  45           HA       GLU  45  -4.736   2.019  -7.141
  348   1HB   GLU  45          2HB       GLU  45  -5.254   1.902  -9.523
  349   2HB   GLU  45          1HB       GLU  45  -4.776   3.581  -9.734
  350   1HG   GLU  45          2HG       GLU  45  -2.650   2.031  -8.549
  351   2HG   GLU  45          1HG       GLU  45  -3.193   1.326 -10.071
  352    H    GLY  46           H        GLY  46  -3.136   2.727  -5.742
  353   1HA   GLY  46          2HA       GLY  46  -1.972   5.353  -6.347
  354   2HA   GLY  46          1HA       GLY  46  -2.679   5.116  -4.765
  355    H    LEU  47           H        LEU  47  -0.286   5.984  -4.703
  356    HA   LEU  47           HA       LEU  47   1.638   3.807  -4.537
  357   1HB   LEU  47          2HB       LEU  47   1.957   6.765  -4.097
  358   2HB   LEU  47          1HB       LEU  47   3.264   5.608  -4.005
  359    HG   LEU  47           HG       LEU  47   1.634   6.045  -6.498
  360   1HD1  LEU  47          1HD1      LEU  47   3.032   8.050  -5.487
  361   2HD1  LEU  47          2HD1      LEU  47   3.022   7.702  -7.216
  362   3HD1  LEU  47          3HD1      LEU  47   4.371   7.163  -6.217
  363   1HD2  LEU  47          1HD2      LEU  47   2.713   4.119  -6.960
  364   2HD2  LEU  47          2HD2      LEU  47   3.938   4.385  -5.719
  365   3HD2  LEU  47          3HD2      LEU  47   4.070   5.201  -7.277
  366    H    ILE  48           H        ILE  48   2.593   3.201  -2.538
  367    HA   ILE  48           HA       ILE  48   1.573   4.516  -0.136
  368    HB   ILE  48           HB       ILE  48   0.913   2.387   0.891
  369   1HG1  ILE  48          2HG1      ILE  48   0.933   1.104  -1.819
  370   2HG1  ILE  48          1HG1      ILE  48   2.373   1.048  -0.811
  371   1HG2  ILE  48          1HG2      ILE  48  -1.196   2.650   0.176
  372   2HG2  ILE  48          2HG2      ILE  48  -0.767   2.335  -1.505
  373   3HG2  ILE  48          3HG2      ILE  48  -0.527   3.940  -0.819
  374   1HD1  ILE  48          1HD1      ILE  48   0.131   0.290   0.764
  375   2HD1  ILE  48          2HD1      ILE  48   1.540  -0.666   0.303
  376   3HD1  ILE  48          3HD1      ILE  48   0.116  -0.634  -0.737
  377    HA   PRO  49           HA       PRO  49   5.593   3.963   1.642
  378   1HB   PRO  49          2HB       PRO  49   4.707   3.266   4.207
  379   2HB   PRO  49          1HB       PRO  49   5.076   4.890   3.626
  380   1HG   PRO  49          2HG       PRO  49   2.449   3.527   3.895
  381   2HG   PRO  49          1HG       PRO  49   2.863   5.232   4.082
  382   1HD   PRO  49          2HD       PRO  49   1.581   4.318   1.911
  383   2HD   PRO  49          1HD       PRO  49   2.736   5.659   1.824
  384    H    SER  50           H        SER  50   6.869   2.227   1.483
  385    HA   SER  50           HA       SER  50   5.792  -0.459   1.460
  386   1HB   SER  50          2HB       SER  50   8.301   0.850   0.677
  387   2HB   SER  50          1HB       SER  50   8.518  -0.749   1.379
  388    HG   SER  50           HG       SER  50   8.181  -1.058  -0.777
  389    H    ASN  51           H        ASN  51   7.896   1.402   3.598
  390    HA   ASN  51           HA       ASN  51   8.551  -0.734   5.308
  391   1HB   ASN  51          2HB       ASN  51   8.645   2.255   5.605
  392   2HB   ASN  51          1HB       ASN  51   9.126   1.187   6.918
  393   1HD2  ASN  51          1HD2      ASN  51  10.156   2.839   4.238
  394   2HD2  ASN  51          2HD2      ASN  51  11.663   2.037   3.983
  395    H    TYR  52           H        TYR  52   5.610   0.968   5.053
  396    HA   TYR  52           HA       TYR  52   4.855   0.518   7.844
  397   1HB   TYR  52          2HB       TYR  52   3.490   1.877   5.517
  398   2HB   TYR  52          1HB       TYR  52   2.675   1.578   7.045
  399    HD1  TYR  52           1HD      TYR  52   2.336   3.672   7.981
  400    HD2  TYR  52           2HD      TYR  52   6.171   2.744   6.392
  401    HE1  TYR  52           1HE      TYR  52   3.212   5.784   8.878
  402    HE2  TYR  52           2HE      TYR  52   7.055   4.858   7.281
  403    HH   TYR  52           HH       TYR  52   6.012   7.172   7.917
  404    H    ILE  53           H        ILE  53   5.057  -1.291   5.137
  405    HA   ILE  53           HA       ILE  53   3.003  -3.063   6.112
  406    HB   ILE  53           HB       ILE  53   1.613  -2.668   4.440
  407   1HG1  ILE  53          2HG1      ILE  53   2.747  -4.607   3.345
  408   2HG1  ILE  53          1HG1      ILE  53   1.884  -3.531   2.263
  409   1HG2  ILE  53          1HG2      ILE  53   3.537  -0.640   3.908
  410   2HG2  ILE  53          2HG2      ILE  53   1.795  -0.617   3.663
  411   3HG2  ILE  53          3HG2      ILE  53   2.854  -1.221   2.394
  412   1HD1  ILE  53          1HD1      ILE  53   4.172  -4.409   1.560
  413   2HD1  ILE  53          2HD1      ILE  53   4.823  -3.227   2.694
  414   3HD1  ILE  53          3HD1      ILE  53   3.829  -2.694   1.340
  415    H    GLU  54           H        GLU  54   3.126  -5.187   5.164
  416    HA   GLU  54           HA       GLU  54   5.650  -6.051   3.995
  417   1HB   GLU  54          2HB       GLU  54   4.541  -7.543   6.354
  418   2HB   GLU  54          1HB       GLU  54   6.148  -7.626   5.652
  419   1HG   GLU  54          2HG       GLU  54   6.626  -5.378   6.535
  420   2HG   GLU  54          1HG       GLU  54   5.031  -5.360   7.292
  421    H    MET  55           H        MET  55   5.384  -8.161   2.986
  422    HA   MET  55           HA       MET  55   2.898  -8.532   1.760
  423   1HB   MET  55          2HB       MET  55   5.323  -9.380   1.179
  424   2HB   MET  55          1HB       MET  55   4.775 -10.827   2.010
  425   1HG   MET  55          2HG       MET  55   3.940 -11.472   0.063
  426   2HG   MET  55          1HG       MET  55   2.690 -10.253   0.307
  427   1HE   MET  55          1HE       MET  55   5.997 -11.197  -0.932
  428   2HE   MET  55          2HE       MET  55   6.702  -9.621  -1.291
  429   3HE   MET  55          3HE       MET  55   6.008 -10.593  -2.589
  430    H    LYS  56           H        LYS  56   1.098  -9.420   2.304
  431    HA   LYS  56           HA       LYS  56   0.773 -10.984   4.725
  432   1HB   LYS  56          2HB       LYS  56  -0.854  -9.115   4.053
  433   2HB   LYS  56          1HB       LYS  56  -1.367 -10.174   2.750
  434   1HG   LYS  56          2HG       LYS  56  -1.691 -11.879   4.749
  435   2HG   LYS  56          1HG       LYS  56  -1.848 -10.382   5.669
  436   1HD   LYS  56          2HD       LYS  56  -3.743  -9.717   4.514
  437   2HD   LYS  56          1HD       LYS  56  -3.378 -10.740   3.126
  438   1HE   LYS  56          2HE       LYS  56  -4.253 -12.614   4.104
  439   2HE   LYS  56          1HE       LYS  56  -3.905 -12.054   5.740
  440   1HZ   LYS  56          1HZ       LYS  56  -6.312 -12.093   5.075
  441   2HZ   LYS  56          2HZ       LYS  56  -5.979 -10.806   4.031
  442   3HZ   LYS  56          3HZ       LYS  56  -5.756 -10.621   5.698
  443    H    ASN  57           H        ASN  57   1.805 -11.502   1.750
  444    HA   ASN  57           HA       ASN  57   0.295 -13.984   1.301
  445   1HB   ASN  57          2HB       ASN  57   0.432 -12.115  -0.492
  446   2HB   ASN  57          1HB       ASN  57   2.066 -12.714  -0.763
  447   1HD2  ASN  57          1HD2      ASN  57  -0.763 -12.806  -2.113
  448   2HD2  ASN  57          2HD2      ASN  57  -0.830 -14.430  -2.700
  449    H    HIS  58           H        HIS  58   2.102 -14.260   3.260
  450    HA   HIS  58           HA       HIS  58   3.879 -16.207   2.157
  451   1HB   HIS  58          2HB       HIS  58   4.884 -13.571   2.505
  452   2HB   HIS  58          1HB       HIS  58   5.630 -14.587   3.734
  453    HD1  HIS  58           1HD      HIS  58   5.186 -16.918   1.191
  454    HD2  HIS  58           2HD      HIS  58   7.715 -13.645   1.604
  455    HE1  HIS  58           1HE      HIS  58   7.082 -17.331  -0.402
  456    HE2  HIS  58           2HE      HIS  58   8.552 -15.294  -0.206
  457    H    ASP  59           H        ASP  59   1.806 -15.403   4.401
  458    HA   ASP  59           HA       ASP  59   1.263 -16.106   6.476
  459   1HB   ASP  59          2HB       ASP  59   2.749 -18.250   5.229
  460   2HB   ASP  59          1HB       ASP  59   2.971 -18.268   6.977
  Start of MODEL    9
    1   1H    MET   1          1HT       MET   1  -3.602 -10.794  -5.613
    2   2H    MET   1          2HT       MET   1  -2.511 -11.856  -6.403
    3   3H    MET   1          3HT       MET   1  -2.609 -10.211  -6.883
    4    HA   MET   1           HA       MET   1  -1.180 -11.443  -4.720
    5   1HB   MET   1          2HB       MET   1  -0.885  -9.349  -6.725
    6   2HB   MET   1          1HB       MET   1  -0.253  -8.885  -5.152
    7   1HG   MET   1          2HG       MET   1   0.884 -11.243  -5.261
    8   2HG   MET   1          1HG       MET   1   0.636 -11.043  -6.994
    9   1HE   MET   1          1HE       MET   1   3.671  -9.312  -8.025
   10   2HE   MET   1          2HE       MET   1   1.985  -9.057  -8.474
   11   3HE   MET   1          3HE       MET   1   2.579 -10.689  -8.166
   12    H    GLU   2           H        GLU   2  -1.146 -10.934  -2.651
   13    HA   GLU   2           HA       GLU   2  -2.692  -8.595  -1.783
   14   1HB   GLU   2          2HB       GLU   2  -2.973 -10.547   0.251
   15   2HB   GLU   2          1HB       GLU   2  -4.220  -9.809  -0.739
   16   1HG   GLU   2          2HG       GLU   2  -2.827 -11.936  -2.142
   17   2HG   GLU   2          1HG       GLU   2  -3.558 -12.484  -0.636
   18    H    ALA   3           H        ALA   3  -1.944  -7.533  -0.005
   19    HA   ALA   3           HA       ALA   3   0.388  -8.407   1.447
   20   1HB   ALA   3          1HB       ALA   3   0.350  -6.244  -0.534
   21   2HB   ALA   3          2HB       ALA   3   1.678  -7.275  -0.010
   22   3HB   ALA   3          3HB       ALA   3   1.176  -5.905   0.982
   23    H    ILE   4           H        ILE   4   0.509  -7.537   3.517
   24    HA   ILE   4           HA       ILE   4  -1.795  -5.875   4.288
   25    HB   ILE   4           HB       ILE   4  -1.647  -8.014   5.441
   26   1HG1  ILE   4          2HG1      ILE   4  -2.293  -5.756   6.603
   27   2HG1  ILE   4          1HG1      ILE   4  -2.115  -7.216   7.566
   28   1HG2  ILE   4          1HG2      ILE   4   0.632  -7.607   7.108
   29   2HG2  ILE   4          2HG2      ILE   4   1.123  -7.492   5.421
   30   3HG2  ILE   4          3HG2      ILE   4   0.286  -8.926   6.001
   31   1HD1  ILE   4          1HD1      ILE   4  -0.802  -4.734   7.857
   32   2HD1  ILE   4          2HD1      ILE   4   0.411  -5.938   7.438
   33   3HD1  ILE   4          3HD1      ILE   4  -0.632  -6.190   8.836
   34    H    ALA   5           H        ALA   5  -1.410  -4.195   5.903
   35    HA   ALA   5           HA       ALA   5   1.337  -3.216   5.975
   36   1HB   ALA   5          1HB       ALA   5  -0.274  -0.947   5.680
   37   2HB   ALA   5          2HB       ALA   5  -0.807  -2.099   4.461
   38   3HB   ALA   5          3HB       ALA   5   0.867  -1.597   4.523
   39    H    LYS   6           H        LYS   6   1.640  -3.247   8.258
   40    HA   LYS   6           HA       LYS   6  -0.612  -1.958   9.660
   41   1HB   LYS   6          2HB       LYS   6   0.398  -3.013  11.710
   42   2HB   LYS   6          1HB       LYS   6  -0.257  -4.141  10.529
   43   1HG   LYS   6          2HG       LYS   6   2.644  -3.420  10.460
   44   2HG   LYS   6          1HG       LYS   6   2.056  -4.610  11.617
   45   1HD   LYS   6          2HD       LYS   6   1.509  -6.135   9.963
   46   2HD   LYS   6          1HD       LYS   6   1.322  -4.890   8.736
   47   1HE   LYS   6          2HE       LYS   6   3.305  -6.171   8.263
   48   2HE   LYS   6          1HE       LYS   6   3.765  -4.541   8.747
   49   1HZ   LYS   6          1HZ       LYS   6   4.814  -6.790   9.768
   50   2HZ   LYS   6          2HZ       LYS   6   3.622  -6.443  10.916
   51   3HZ   LYS   6          3HZ       LYS   6   4.811  -5.294  10.559
   52    H    HIS   7           H        HIS   7  -0.043   0.098   9.256
   53    HA   HIS   7           HA       HIS   7   1.297   1.284  11.269
   54   1HB   HIS   7          2HB       HIS   7   2.867   1.144   8.713
   55   2HB   HIS   7          1HB       HIS   7   2.887   2.657   9.617
   56    HD1  HIS   7           1HD      HIS   7   2.744   1.123  12.447
   57    HD2  HIS   7           2HD      HIS   7   5.544   0.558   9.427
   58    HE1  HIS   7           1HE      HIS   7   4.761   0.147  13.578
   59    HE2  HIS   7           2HE      HIS   7   6.442  -0.196  11.735
   60    H    ASP   8           H        ASP   8  -0.018   3.275  11.463
   61    HA   ASP   8           HA       ASP   8  -1.979   3.624   9.454
   62   1HB   ASP   8          2HB       ASP   8  -1.145   5.228  11.817
   63   2HB   ASP   8          1HB       ASP   8  -1.995   6.094  10.542
   64    H    PHE   9           H        PHE   9  -2.143   5.465   7.882
   65    HA   PHE   9           HA       PHE   9   0.149   7.097   7.429
   66   1HB   PHE   9          2HB       PHE   9   0.824   4.789   6.457
   67   2HB   PHE   9          1HB       PHE   9  -0.280   5.195   5.149
   68    HD1  PHE   9           1HD      PHE   9   0.434   6.569   3.388
   69    HD2  PHE   9           2HD      PHE   9   2.681   6.429   6.995
   70    HE1  PHE   9           1HE      PHE   9   2.223   7.886   2.323
   71    HE2  PHE   9           2HE      PHE   9   4.473   7.739   5.940
   72    HZ   PHE   9           HZ       PHE   9   4.246   8.472   3.602
   73    H    SER  10           H        SER  10   0.066   8.444   5.614
   74    HA   SER  10           HA       SER  10  -2.441   8.553   4.165
   75   1HB   SER  10          2HB       SER  10  -2.136  10.191   6.378
   76   2HB   SER  10          1HB       SER  10  -1.715  11.241   5.025
   77    HG   SER  10           HG       SER  10  -3.702  11.010   4.200
   78    H    ALA  11           H        ALA  11  -1.717   8.385   2.183
   79    HA   ALA  11           HA       ALA  11   0.421   8.632   0.756
   80   1HB   ALA  11          1HB       ALA  11  -2.284   9.746   0.283
   81   2HB   ALA  11          2HB       ALA  11  -1.439   8.457  -0.556
   82   3HB   ALA  11          3HB       ALA  11  -1.017  10.143  -0.870
   83    H    THR  12           H        THR  12   1.866   9.876  -0.081
   84    HA   THR  12           HA       THR  12   2.125  12.595   0.974
   85    HB   THR  12           HB       THR  12   3.977  10.340   0.723
   86    HG1  THR  12           1HG      THR  12   5.182  12.041   2.062
   87   1HG2  THR  12          1HG2      THR  12   5.841  11.212  -0.235
   88   2HG2  THR  12          2HG2      THR  12   5.365  12.886   0.046
   89   3HG2  THR  12          3HG2      THR  12   4.636  11.971  -1.272
   90    H    ALA  13           H        ALA  13   1.419  10.865  -1.805
   91    HA   ALA  13           HA       ALA  13   1.888  13.237  -3.494
   92   1HB   ALA  13          1HB       ALA  13   2.718  12.000  -5.256
   93   2HB   ALA  13          2HB       ALA  13   1.930  10.516  -4.726
   94   3HB   ALA  13          3HB       ALA  13   3.383  11.083  -3.904
   95    H    ASP  14           H        ASP  14   0.177  13.473  -5.176
   96    HA   ASP  14           HA       ASP  14  -2.400  12.980  -4.209
   97   1HB   ASP  14          2HB       ASP  14  -3.129  13.558  -6.556
   98   2HB   ASP  14          1HB       ASP  14  -2.109  14.758  -5.767
   99    H    ASP  15           H        ASP  15  -0.374  11.194  -6.424
  100    HA   ASP  15           HA       ASP  15  -2.484   9.285  -7.021
  101   1HB   ASP  15          2HB       ASP  15   0.416   9.317  -7.896
  102   2HB   ASP  15          1HB       ASP  15  -0.838   8.248  -8.514
  103    H    GLU  16           H        GLU  16  -1.684   9.513  -4.270
  104    HA   GLU  16           HA       GLU  16  -0.550   6.838  -3.843
  105   1HB   GLU  16          2HB       GLU  16  -0.128   9.387  -2.311
  106   2HB   GLU  16          1HB       GLU  16   0.076   7.824  -1.530
  107   1HG   GLU  16          2HG       GLU  16   1.553   7.442  -3.697
  108   2HG   GLU  16          1HG       GLU  16   1.733   9.181  -3.540
  109    H    LEU  17           H        LEU  17  -1.339   6.061  -1.512
  110    HA   LEU  17           HA       LEU  17  -4.193   6.798  -1.232
  111   1HB   LEU  17          2HB       LEU  17  -4.732   4.438  -1.026
  112   2HB   LEU  17          1HB       LEU  17  -4.022   4.795  -2.587
  113    HG   LEU  17           HG       LEU  17  -1.890   4.050  -0.952
  114   1HD1  LEU  17          1HD1      LEU  17  -3.256   3.044   0.689
  115   2HD1  LEU  17          2HD1      LEU  17  -2.639   1.731  -0.312
  116   3HD1  LEU  17          3HD1      LEU  17  -4.292   2.305  -0.529
  117   1HD2  LEU  17          1HD2      LEU  17  -1.978   3.621  -3.283
  118   2HD2  LEU  17          2HD2      LEU  17  -3.394   2.591  -3.097
  119   3HD2  LEU  17          3HD2      LEU  17  -1.835   2.075  -2.452
  120    H    SER  18           H        SER  18  -4.820   7.080   0.807
  121    HA   SER  18           HA       SER  18  -3.019   6.418   2.999
  122   1HB   SER  18          2HB       SER  18  -5.702   7.822   3.054
  123   2HB   SER  18          1HB       SER  18  -4.562   7.710   4.397
  124    HG   SER  18           HG       SER  18  -4.222   9.660   3.441
  125    H    PHE  19           H        PHE  19  -3.799   5.368   4.890
  126    HA   PHE  19           HA       PHE  19  -6.173   3.802   4.889
  127   1HB   PHE  19          2HB       PHE  19  -5.144   1.573   4.821
  128   2HB   PHE  19          1HB       PHE  19  -4.912   2.435   3.305
  129    HD1  PHE  19           1HD      PHE  19  -2.718   3.079   2.568
  130    HD2  PHE  19           2HD      PHE  19  -3.281   1.201   6.337
  131    HE1  PHE  19           1HE      PHE  19  -0.296   2.661   2.718
  132    HE2  PHE  19           2HE      PHE  19  -0.866   0.782   6.501
  133    HZ   PHE  19           HZ       PHE  19   0.633   1.511   4.689
  134    H    ARG  20           H        ARG  20  -5.874   1.955   6.686
  135    HA   ARG  20           HA       ARG  20  -4.654   3.348   8.969
  136   1HB   ARG  20          2HB       ARG  20  -7.247   1.985   8.620
  137   2HB   ARG  20          1HB       ARG  20  -6.414   1.623  10.127
  138   1HG   ARG  20          2HG       ARG  20  -6.160   4.216  10.274
  139   2HG   ARG  20          1HG       ARG  20  -7.517   4.211   9.147
  140   1HD   ARG  20          2HD       ARG  20  -8.660   4.235  11.115
  141   2HD   ARG  20          1HD       ARG  20  -8.500   2.493  10.895
  142    HE   ARG  20           HE       ARG  20  -6.347   2.966  12.341
  143   1HH1  ARG  20          1HH1      ARG  20  -9.581   4.226  12.745
  144   2HH1  ARG  20          2HH1      ARG  20  -9.424   4.418  14.457
  145   1HH2  ARG  20          1HH2      ARG  20  -6.147   3.215  14.596
  146   2HH2  ARG  20          2HH2      ARG  20  -7.479   3.845  15.508
  147    H    LYS  21           H        LYS  21  -3.995   1.794  10.814
  148    HA   LYS  21           HA       LYS  21  -2.156  -0.089   9.828
  149   1HB   LYS  21          2HB       LYS  21  -2.214   1.015  12.145
  150   2HB   LYS  21          1HB       LYS  21  -3.410  -0.203  12.572
  151   1HG   LYS  21          2HG       LYS  21  -1.850  -1.966  12.233
  152   2HG   LYS  21          1HG       LYS  21  -0.674  -0.861  11.524
  153   1HD   LYS  21          2HD       LYS  21   0.208  -0.661  13.558
  154   2HD   LYS  21          1HD       LYS  21  -1.238   0.246  14.005
  155   1HE   LYS  21          2HE       LYS  21  -1.239  -1.383  15.620
  156   2HE   LYS  21          1HE       LYS  21  -2.240  -2.146  14.385
  157   1HZ   LYS  21          1HZ       LYS  21  -0.625  -3.639  13.865
  158   2HZ   LYS  21          2HZ       LYS  21  -0.240  -3.404  15.495
  159   3HZ   LYS  21          3HZ       LYS  21   0.647  -2.610  14.294
  160    H    THR  22           H        THR  22  -2.306  -2.261   9.492
  161    HA   THR  22           HA       THR  22  -3.084  -4.361   9.455
  162    HB   THR  22           HB       THR  22  -4.326  -3.427  11.644
  163    HG1  THR  22           1HG      THR  22  -3.814  -5.441  11.873
  164   1HG2  THR  22          1HG2      THR  22  -6.678  -4.728  11.097
  165   2HG2  THR  22          2HG2      THR  22  -6.467  -3.687   9.692
  166   3HG2  THR  22          3HG2      THR  22  -6.478  -2.994  11.311
  167    H    GLN  23           H        GLN  23  -4.343  -1.901   7.633
  168    HA   GLN  23           HA       GLN  23  -6.454  -3.573   6.564
  169   1HB   GLN  23          2HB       GLN  23  -6.192  -0.848   6.507
  170   2HB   GLN  23          1HB       GLN  23  -5.789  -1.310   4.858
  171   1HG   GLN  23          2HG       GLN  23  -8.033  -2.820   5.483
  172   2HG   GLN  23          1HG       GLN  23  -8.349  -1.233   6.181
  173   1HE2  GLN  23          1HE2      GLN  23  -9.997  -0.905   4.666
  174   2HE2  GLN  23          2HE2      GLN  23  -9.646  -0.493   3.030
  175    H    ILE  24           H        ILE  24  -6.538  -4.565   4.632
  176    HA   ILE  24           HA       ILE  24  -3.996  -5.514   3.659
  177    HB   ILE  24           HB       ILE  24  -5.868  -7.063   3.966
  178   1HG1  ILE  24          2HG1      ILE  24  -5.858  -8.048   1.591
  179   2HG1  ILE  24          1HG1      ILE  24  -4.815  -6.692   1.170
  180   1HG2  ILE  24          1HG2      ILE  24  -7.579  -5.293   3.230
  181   2HG2  ILE  24          2HG2      ILE  24  -7.878  -6.976   2.802
  182   3HG2  ILE  24          3HG2      ILE  24  -7.243  -5.858   1.595
  183   1HD1  ILE  24          1HD1      ILE  24  -3.660  -8.848   1.739
  184   2HD1  ILE  24          2HD1      ILE  24  -4.192  -8.596   3.403
  185   3HD1  ILE  24          3HD1      ILE  24  -3.123  -7.430   2.633
  186    H    LEU  25           H        LEU  25  -2.894  -4.711   1.990
  187    HA   LEU  25           HA       LEU  25  -4.317  -2.918   0.152
  188   1HB   LEU  25          2HB       LEU  25  -1.508  -2.692  -0.220
  189   2HB   LEU  25          1HB       LEU  25  -2.652  -1.486   0.326
  190    HG   LEU  25           HG       LEU  25  -2.091  -3.147   2.556
  191   1HD1  LEU  25          1HD1      LEU  25  -0.071  -3.963   1.916
  192   2HD1  LEU  25          2HD1      LEU  25   0.445  -2.400   2.545
  193   3HD1  LEU  25          3HD1      LEU  25   0.244  -2.622   0.810
  194   1HD2  LEU  25          1HD2      LEU  25  -1.903  -0.344   1.743
  195   2HD2  LEU  25          2HD2      LEU  25  -0.749  -0.815   2.989
  196   3HD2  LEU  25          3HD2      LEU  25  -2.476  -1.055   3.250
  197    H    LYS  26           H        LYS  26  -4.162  -3.107  -2.032
  198    HA   LYS  26           HA       LYS  26  -3.517  -5.743  -3.071
  199   1HB   LYS  26          2HB       LYS  26  -4.666  -3.237  -4.304
  200   2HB   LYS  26          1HB       LYS  26  -4.519  -4.778  -5.132
  201   1HG   LYS  26          2HG       LYS  26  -5.898  -4.972  -2.575
  202   2HG   LYS  26          1HG       LYS  26  -6.700  -3.905  -3.731
  203   1HD   LYS  26          2HD       LYS  26  -7.388  -5.628  -4.971
  204   2HD   LYS  26          1HD       LYS  26  -5.775  -6.348  -4.986
  205   1HE   LYS  26          2HE       LYS  26  -7.268  -6.544  -2.449
  206   2HE   LYS  26          1HE       LYS  26  -7.906  -7.482  -3.799
  207   1HZ   LYS  26          1HZ       LYS  26  -6.181  -8.890  -3.735
  208   2HZ   LYS  26          2HZ       LYS  26  -5.959  -8.318  -2.160
  209   3HZ   LYS  26          3HZ       LYS  26  -5.043  -7.675  -3.429
  210    H    ILE  27           H        ILE  27  -1.256  -5.909  -3.266
  211    HA   ILE  27           HA       ILE  27   0.319  -3.803  -4.474
  212    HB   ILE  27           HB       ILE  27   1.055  -6.661  -3.834
  213   1HG1  ILE  27          2HG1      ILE  27   1.542  -4.029  -2.432
  214   2HG1  ILE  27          1HG1      ILE  27   0.610  -5.396  -1.838
  215   1HG2  ILE  27          1HG2      ILE  27   3.282  -6.184  -4.371
  216   2HG2  ILE  27          2HG2      ILE  27   2.995  -4.444  -4.416
  217   3HG2  ILE  27          3HG2      ILE  27   2.369  -5.476  -5.702
  218   1HD1  ILE  27          1HD1      ILE  27   2.867  -5.124  -0.810
  219   2HD1  ILE  27          2HD1      ILE  27   3.564  -5.505  -2.384
  220   3HD1  ILE  27          3HD1      ILE  27   2.581  -6.702  -1.545
  221    H    LEU  28           H        LEU  28   0.873  -3.614  -6.668
  222    HA   LEU  28           HA       LEU  28   0.320  -5.932  -8.365
  223   1HB   LEU  28          2HB       LEU  28  -1.129  -4.702  -9.884
  224   2HB   LEU  28          1HB       LEU  28  -1.807  -4.847  -8.275
  225    HG   LEU  28           HG       LEU  28  -0.535  -2.411  -8.150
  226   1HD1  LEU  28          1HD1      LEU  28  -0.844  -3.025 -10.911
  227   2HD1  LEU  28          2HD1      LEU  28  -0.248  -1.542 -10.166
  228   3HD1  LEU  28          3HD1      LEU  28  -1.969  -1.733 -10.493
  229   1HD2  LEU  28          1HD2      LEU  28  -2.994  -3.357  -7.668
  230   2HD2  LEU  28          2HD2      LEU  28  -3.328  -2.406  -9.115
  231   3HD2  LEU  28          3HD2      LEU  28  -2.613  -1.635  -7.699
  232    H    ASN  29           H        ASN  29   2.121  -2.951  -7.995
  233    HA   ASN  29           HA       ASN  29   3.643  -3.825 -10.290
  234   1HB   ASN  29          2HB       ASN  29   3.484  -1.932 -11.654
  235   2HB   ASN  29          1HB       ASN  29   1.832  -2.339 -11.217
  236   1HD2  ASN  29          1HD2      ASN  29   4.494  -0.144 -10.600
  237   2HD2  ASN  29          2HD2      ASN  29   3.529   1.152  -9.993
  238    H    MET  30           H        MET  30   5.605  -3.815  -9.827
  239    HA   MET  30           HA       MET  30   6.677  -1.747  -8.095
  240   1HB   MET  30          2HB       MET  30   7.316  -4.592  -8.269
  241   2HB   MET  30          1HB       MET  30   8.731  -3.554  -8.383
  242   1HG   MET  30          2HG       MET  30   7.990  -2.414  -6.303
  243   2HG   MET  30          1HG       MET  30   6.695  -3.603  -6.168
  244   1HE   MET  30          1HE       MET  30   8.503  -6.897  -5.423
  245   2HE   MET  30          2HE       MET  30   8.107  -6.363  -7.056
  246   3HE   MET  30          3HE       MET  30   6.981  -6.058  -5.733
  247    H    GLU  31           H        GLU  31   7.874  -0.413  -8.862
  248    HA   GLU  31           HA       GLU  31   9.715  -0.561 -11.043
  249   1HB   GLU  31          2HB       GLU  31   7.062   0.835 -11.497
  250   2HB   GLU  31          1HB       GLU  31   8.526   1.242 -12.376
  251   1HG   GLU  31          2HG       GLU  31   8.562  -0.819 -13.491
  252   2HG   GLU  31          1HG       GLU  31   7.410  -1.537 -12.378
  253    H    ASP  32           H        ASP  32   7.487   1.391  -9.167
  254    HA   ASP  32           HA       ASP  32   8.917   3.700  -9.378
  255   1HB   ASP  32          2HB       ASP  32   6.762   2.794  -7.523
  256   2HB   ASP  32          1HB       ASP  32   7.635   4.266  -7.102
  257    H    ASP  33           H        ASP  33  10.160   0.965  -8.014
  258    HA   ASP  33           HA       ASP  33  12.381   1.162  -7.158
  259   1HB   ASP  33          2HB       ASP  33  12.137   3.655  -7.039
  260   2HB   ASP  33          1HB       ASP  33  11.395   3.439  -5.451
  261    H    SER  34           H        SER  34  13.197   0.307  -5.213
  262    HA   SER  34           HA       SER  34  11.524  -1.505  -3.868
  263   1HB   SER  34          2HB       SER  34  14.326  -0.533  -3.419
  264   2HB   SER  34          1HB       SER  34  13.568  -1.708  -2.343
  265    HG   SER  34           HG       SER  34  14.015  -3.156  -3.779
  266    H    ASN  35           H        ASN  35  10.602   1.447  -3.380
  267    HA   ASN  35           HA       ASN  35  10.547   1.140  -0.465
  268   1HB   ASN  35          2HB       ASN  35  12.239   2.894  -1.786
  269   2HB   ASN  35          1HB       ASN  35  10.887   3.905  -1.288
  270   1HD2  ASN  35          1HD2      ASN  35  10.776   4.555   0.752
  271   2HD2  ASN  35          2HD2      ASN  35  11.809   4.017   2.029
  272    H    TRP  36           H        TRP  36   9.084   2.401  -3.368
  273    HA   TRP  36           HA       TRP  36   6.671   3.012  -1.804
  274   1HB   TRP  36          2HB       TRP  36   7.839   4.598  -4.098
  275   2HB   TRP  36          1HB       TRP  36   6.184   4.805  -3.527
  276    HD1  TRP  36           HD       TRP  36   9.684   5.899  -2.837
  277    HE1  TRP  36           1HE      TRP  36   9.758   7.362  -0.726
  278    HE3  TRP  36           3HE      TRP  36   4.961   5.049  -1.092
  279    HZ2  TRP  36           2HZ      TRP  36   8.037   8.065   1.406
  280    HZ3  TRP  36           3HZ      TRP  36   4.246   6.143   1.003
  281    HH2  TRP  36           HH       TRP  36   5.759   7.627   2.216
  282    H    TYR  37           H        TYR  37   5.173   1.581  -2.290
  283    HA   TYR  37           HA       TYR  37   5.211   0.273  -4.906
  284   1HB   TYR  37          2HB       TYR  37   3.987  -0.497  -2.261
  285   2HB   TYR  37          1HB       TYR  37   3.682  -1.380  -3.750
  286    HD1  TYR  37           1HD      TYR  37   6.777  -0.688  -4.559
  287    HD2  TYR  37           2HD      TYR  37   4.801  -2.683  -1.359
  288    HE1  TYR  37           1HE      TYR  37   8.789  -2.039  -4.167
  289    HE2  TYR  37           2HE      TYR  37   6.812  -4.039  -0.959
  290    HH   TYR  37           HH       TYR  37   9.690  -3.362  -1.824
  291    H    ARG  38           H        ARG  38   3.300  -0.176  -6.042
  292    HA   ARG  38           HA       ARG  38   1.259   1.905  -5.714
  293   1HB   ARG  38          2HB       ARG  38   2.519   1.744  -7.901
  294   2HB   ARG  38          1HB       ARG  38   1.798   0.158  -8.123
  295   1HG   ARG  38          2HG       ARG  38  -0.058   1.043  -8.949
  296   2HG   ARG  38          1HG       ARG  38  -0.232   2.110  -7.553
  297   1HD   ARG  38          2HD       ARG  38   1.498   3.598  -8.629
  298   2HD   ARG  38          1HD       ARG  38   1.332   2.605 -10.077
  299    HE   ARG  38           HE       ARG  38  -1.178   3.571  -9.126
  300   1HH1  ARG  38          1HH1      ARG  38   1.642   4.451 -10.979
  301   2HH1  ARG  38          2HH1      ARG  38   0.804   5.637 -11.921
  302   1HH2  ARG  38          1HH2      ARG  38  -2.281   5.125 -10.358
  303   2HH2  ARG  38          2HH2      ARG  38  -1.425   6.020 -11.568
  304    H    ALA  39           H        ALA  39  -0.437   1.219  -4.632
  305    HA   ALA  39           HA       ALA  39  -1.373  -1.542  -5.006
  306   1HB   ALA  39          1HB       ALA  39  -1.071  -1.846  -2.829
  307   2HB   ALA  39          2HB       ALA  39  -2.282  -0.601  -2.513
  308   3HB   ALA  39          3HB       ALA  39  -0.577  -0.165  -2.633
  309    H    GLU  40           H        GLU  40  -3.695  -1.791  -4.226
  310    HA   GLU  40           HA       GLU  40  -5.325   0.500  -5.101
  311   1HB   GLU  40          2HB       GLU  40  -5.065  -1.789  -6.560
  312   2HB   GLU  40          1HB       GLU  40  -6.462  -2.188  -5.568
  313   1HG   GLU  40          2HG       GLU  40  -6.893   0.418  -6.516
  314   2HG   GLU  40          1HG       GLU  40  -6.296  -0.517  -7.887
  315    H    LEU  41           H        LEU  41  -7.385   0.731  -4.098
  316    HA   LEU  41           HA       LEU  41  -8.169  -1.055  -1.974
  317   1HB   LEU  41          2HB       LEU  41  -6.536  -0.016  -0.688
  318   2HB   LEU  41          1HB       LEU  41  -6.786   1.545  -1.443
  319    HG   LEU  41           HG       LEU  41  -8.965   1.720  -0.255
  320   1HD1  LEU  41          1HD1      LEU  41  -8.040  -0.653   1.330
  321   2HD1  LEU  41          2HD1      LEU  41  -9.191  -0.775   0.002
  322   3HD1  LEU  41          3HD1      LEU  41  -9.584   0.190   1.423
  323   1HD2  LEU  41          1HD2      LEU  41  -7.164   1.290   1.995
  324   2HD2  LEU  41          2HD2      LEU  41  -7.925   2.773   1.418
  325   3HD2  LEU  41          3HD2      LEU  41  -6.426   2.206   0.682
  326    H    ASP  42           H        ASP  42 -10.323  -1.073  -2.015
  327    HA   ASP  42           HA       ASP  42 -12.496  -0.433  -2.168
  328   1HB   ASP  42          2HB       ASP  42 -11.838   1.295  -0.514
  329   2HB   ASP  42          1HB       ASP  42 -11.443   2.387  -1.836
  330    H    GLY  43           H        GLY  43 -11.189   2.502  -3.648
  331   1HA   GLY  43          2HA       GLY  43 -11.832   1.534  -6.317
  332   2HA   GLY  43          1HA       GLY  43 -12.802   2.879  -5.729
  333    H    LYS  44           H        LYS  44  -9.585   2.874  -4.516
  334    HA   LYS  44           HA       LYS  44  -8.801   4.810  -6.584
  335   1HB   LYS  44          2HB       LYS  44  -9.584   5.740  -4.327
  336   2HB   LYS  44          1HB       LYS  44  -8.115   5.043  -3.660
  337   1HG   LYS  44          2HG       LYS  44  -7.003   6.857  -4.240
  338   2HG   LYS  44          1HG       LYS  44  -7.361   6.528  -5.936
  339   1HD   LYS  44          2HD       LYS  44  -8.513   8.439  -5.941
  340   2HD   LYS  44          1HD       LYS  44  -9.715   7.616  -4.945
  341   1HE   LYS  44          2HE       LYS  44  -9.312   9.236  -3.452
  342   2HE   LYS  44          1HE       LYS  44  -7.837   8.339  -3.096
  343   1HZ   LYS  44          1HZ       LYS  44  -8.035  10.930  -4.036
  344   2HZ   LYS  44          2HZ       LYS  44  -7.445  10.025  -5.337
  345   3HZ   LYS  44          3HZ       LYS  44  -6.625  10.012  -3.858
  346    H    GLU  45           H        GLU  45  -6.801   4.624  -7.372
  347    HA   GLU  45           HA       GLU  45  -5.065   2.526  -6.278
  348   1HB   GLU  45          2HB       GLU  45  -5.779   2.503  -8.709
  349   2HB   GLU  45          1HB       GLU  45  -4.807   3.951  -8.929
  350   1HG   GLU  45          2HG       GLU  45  -2.835   2.829  -8.729
  351   2HG   GLU  45          1HG       GLU  45  -3.525   1.566  -7.712
  352    H    GLY  46           H        GLY  46  -2.602   3.049  -6.361
  353   1HA   GLY  46          2HA       GLY  46  -1.482   5.468  -6.716
  354   2HA   GLY  46          1HA       GLY  46  -2.296   5.693  -5.186
  355    H    LEU  47           H        LEU  47   0.355   6.133  -5.375
  356    HA   LEU  47           HA       LEU  47   1.887   3.848  -4.667
  357   1HB   LEU  47          2HB       LEU  47   2.605   6.760  -4.393
  358   2HB   LEU  47          1HB       LEU  47   3.720   5.419  -4.327
  359    HG   LEU  47           HG       LEU  47   2.258   5.299  -6.790
  360   1HD1  LEU  47          1HD1      LEU  47   3.702   7.557  -7.429
  361   2HD1  LEU  47          2HD1      LEU  47   2.941   7.987  -5.897
  362   3HD1  LEU  47          3HD1      LEU  47   1.949   7.462  -7.257
  363   1HD2  LEU  47          1HD2      LEU  47   4.630   4.510  -5.983
  364   2HD2  LEU  47          2HD2      LEU  47   5.120   6.090  -6.597
  365   3HD2  LEU  47          3HD2      LEU  47   4.339   4.928  -7.670
  366    H    ILE  48           H        ILE  48   2.842   3.427  -2.590
  367    HA   ILE  48           HA       ILE  48   1.895   4.971  -0.291
  368    HB   ILE  48           HB       ILE  48   1.522   2.514   0.769
  369   1HG1  ILE  48          2HG1      ILE  48  -0.233   1.775  -1.267
  370   2HG1  ILE  48          1HG1      ILE  48   1.273   2.148  -2.098
  371   1HG2  ILE  48          1HG2      ILE  48  -0.345   4.491  -0.433
  372   2HG2  ILE  48          2HG2      ILE  48  -0.021   4.134   1.262
  373   3HG2  ILE  48          3HG2      ILE  48  -0.966   3.009   0.291
  374   1HD1  ILE  48          1HD1      ILE  48   0.678  -0.239  -0.967
  375   2HD1  ILE  48          2HD1      ILE  48   1.594   0.540   0.322
  376   3HD1  ILE  48          3HD1      ILE  48   2.310   0.347  -1.278
  377    HA   PRO  49           HA       PRO  49   5.657   3.858   1.690
  378   1HB   PRO  49          2HB       PRO  49   4.970   3.093   4.200
  379   2HB   PRO  49          1HB       PRO  49   4.939   4.774   3.649
  380   1HG   PRO  49          2HG       PRO  49   2.685   2.820   3.895
  381   2HG   PRO  49          1HG       PRO  49   2.736   4.532   4.349
  382   1HD   PRO  49          2HD       PRO  49   1.599   3.665   2.061
  383   2HD   PRO  49          1HD       PRO  49   2.390   5.246   2.185
  384    H    SER  50           H        SER  50   6.912   2.140   1.400
  385    HA   SER  50           HA       SER  50   5.842  -0.548   1.213
  386   1HB   SER  50          2HB       SER  50   7.783   0.590  -0.160
  387   2HB   SER  50          1HB       SER  50   8.775   0.082   1.203
  388    HG   SER  50           HG       SER  50   7.908  -1.358  -0.847
  389    H    ASN  51           H        ASN  51   7.943   1.242   3.410
  390    HA   ASN  51           HA       ASN  51   8.535  -0.988   5.037
  391   1HB   ASN  51          2HB       ASN  51   9.500   0.656   6.572
  392   2HB   ASN  51          1HB       ASN  51   9.979   0.968   4.908
  393   1HD2  ASN  51          1HD2      ASN  51   9.137   2.765   3.834
  394   2HD2  ASN  51          2HD2      ASN  51   8.425   4.082   4.695
  395    H    TYR  52           H        TYR  52   5.666   0.799   4.794
  396    HA   TYR  52           HA       TYR  52   4.870   0.335   7.582
  397   1HB   TYR  52          2HB       TYR  52   3.517   1.756   5.279
  398   2HB   TYR  52          1HB       TYR  52   2.718   1.458   6.815
  399    HD1  TYR  52           1HD      TYR  52   6.156   2.666   5.952
  400    HD2  TYR  52           2HD      TYR  52   2.483   3.447   7.942
  401    HE1  TYR  52           1HE      TYR  52   7.091   4.758   6.846
  402    HE2  TYR  52           2HE      TYR  52   3.406   5.537   8.845
  403    HH   TYR  52           HH       TYR  52   6.640   6.665   7.948
  404    H    ILE  53           H        ILE  53   5.032  -1.370   4.784
  405    HA   ILE  53           HA       ILE  53   2.961  -3.151   5.707
  406    HB   ILE  53           HB       ILE  53   1.612  -2.925   3.937
  407   1HG1  ILE  53          2HG1      ILE  53   3.140  -4.482   2.689
  408   2HG1  ILE  53          1HG1      ILE  53   2.214  -3.396   1.673
  409   1HG2  ILE  53          1HG2      ILE  53   1.740  -0.653   3.767
  410   2HG2  ILE  53          2HG2      ILE  53   2.397  -1.054   2.184
  411   3HG2  ILE  53          3HG2      ILE  53   3.482  -0.667   3.513
  412   1HD1  ILE  53          1HD1      ILE  53   4.919  -2.527   2.485
  413   2HD1  ILE  53          2HD1      ILE  53   4.034  -2.242   0.987
  414   3HD1  ILE  53          3HD1      ILE  53   4.781  -3.811   1.284
  415    H    GLU  54           H        GLU  54   3.116  -5.293   4.668
  416    HA   GLU  54           HA       GLU  54   5.773  -6.006   3.653
  417   1HB   GLU  54          2HB       GLU  54   4.976  -6.412   6.273
  418   2HB   GLU  54          1HB       GLU  54   4.636  -7.956   5.507
  419   1HG   GLU  54          2HG       GLU  54   6.789  -8.229   6.265
  420   2HG   GLU  54          1HG       GLU  54   7.040  -7.758   4.583
  421    H    MET  55           H        MET  55   5.744  -7.878   2.291
  422    HA   MET  55           HA       MET  55   3.432  -8.324   0.800
  423   1HB   MET  55          2HB       MET  55   4.612 -10.240  -0.156
  424   2HB   MET  55          1HB       MET  55   5.664  -8.835  -0.032
  425   1HG   MET  55          2HG       MET  55   5.980 -10.266   2.361
  426   2HG   MET  55          1HG       MET  55   5.996 -11.458   1.060
  427   1HE   MET  55          1HE       MET  55   8.690  -9.709  -1.294
  428   2HE   MET  55          2HE       MET  55   6.945  -9.959  -1.283
  429   3HE   MET  55          3HE       MET  55   8.031 -11.324  -1.032
  430    H    LYS  56           H        LYS  56   1.660  -9.481   1.084
  431    HA   LYS  56           HA       LYS  56   1.491 -11.247   3.348
  432   1HB   LYS  56          2HB       LYS  56  -0.356  -9.451   2.613
  433   2HB   LYS  56          1HB       LYS  56  -0.874 -10.773   1.583
  434   1HG   LYS  56          2HG       LYS  56  -2.045 -10.585   3.787
  435   2HG   LYS  56          1HG       LYS  56  -1.318 -12.157   3.482
  436   1HD   LYS  56          2HD       LYS  56   0.272 -10.107   4.926
  437   2HD   LYS  56          1HD       LYS  56  -1.021 -10.934   5.794
  438   1HE   LYS  56          2HE       LYS  56   0.751 -12.690   4.244
  439   2HE   LYS  56          1HE       LYS  56   1.538 -11.833   5.569
  440   1HZ   LYS  56          1HZ       LYS  56  -0.601 -13.839   5.661
  441   2HZ   LYS  56          2HZ       LYS  56  -0.516 -12.680   6.891
  442   3HZ   LYS  56          3HZ       LYS  56   0.796 -13.710   6.608
  443    H    ASN  57           H        ASN  57  -0.579 -12.848   2.082
  444    HA   ASN  57           HA       ASN  57  -0.686 -14.813   0.926
  445   1HB   ASN  57          2HB       ASN  57  -0.564 -12.972  -0.878
  446   2HB   ASN  57          1HB       ASN  57   1.091 -13.519  -1.122
  447   1HD2  ASN  57          1HD2      ASN  57   1.407 -15.113  -2.503
  448   2HD2  ASN  57          2HD2      ASN  57   0.192 -16.186  -3.104
  449    H    HIS  58           H        HIS  58   1.156 -14.925   2.879
  450    HA   HIS  58           HA       HIS  58   2.973 -16.891   1.811
  451   1HB   HIS  58          2HB       HIS  58   3.958 -14.363   1.874
  452   2HB   HIS  58          1HB       HIS  58   4.427 -14.932   3.473
  453    HD1  HIS  58           1HD      HIS  58   6.761 -15.704   3.402
  454    HD2  HIS  58           2HD      HIS  58   4.718 -16.690  -0.079
  455    HE1  HIS  58           1HE      HIS  58   8.404 -16.994   2.001
  456    HE2  HIS  58           2HE      HIS  58   7.172 -17.504  -0.138
  457    H    ASP  59           H        ASP  59   4.627 -17.364   3.850
  458    HA   ASP  59           HA       ASP  59   2.899 -18.493   5.831
  459   1HB   ASP  59          2HB       ASP  59   5.789 -18.606   5.168
  460   2HB   ASP  59          1HB       ASP  59   5.355 -18.939   6.842
  Start of MODEL   10
    1   1H    MET   1          1HT       MET   1  -4.262  -9.376  -5.578
    2   2H    MET   1          2HT       MET   1  -3.845 -10.696  -6.589
    3   3H    MET   1          3HT       MET   1  -2.942  -9.240  -6.670
    4    HA   MET   1           HA       MET   1  -2.741 -11.461  -4.917
    5   1HB   MET   1          2HB       MET   1  -1.074 -10.283  -6.536
    6   2HB   MET   1          1HB       MET   1  -0.865  -9.119  -5.236
    7   1HG   MET   1          2HG       MET   1   0.074 -10.723  -3.805
    8   2HG   MET   1          1HG       MET   1  -0.467 -12.063  -4.815
    9   1HE   MET   1          1HE       MET   1   1.956 -12.545  -7.468
   10   2HE   MET   1          2HE       MET   1   0.417 -12.905  -6.686
   11   3HE   MET   1          3HE       MET   1   1.931 -13.356  -5.902
   12    H    GLU   2           H        GLU   2  -1.637 -10.966  -2.674
   13    HA   GLU   2           HA       GLU   2  -3.067  -8.706  -1.466
   14   1HB   GLU   2          2HB       GLU   2  -4.335 -10.723  -1.006
   15   2HB   GLU   2          1HB       GLU   2  -2.919 -11.465  -0.272
   16   1HG   GLU   2          2HG       GLU   2  -2.926  -9.463   1.310
   17   2HG   GLU   2          1HG       GLU   2  -4.564  -9.177   0.725
   18    H    ALA   3           H        ALA   3  -2.140  -7.628   0.148
   19    HA   ALA   3           HA       ALA   3   0.396  -8.387   1.298
   20   1HB   ALA   3          1HB       ALA   3   1.522  -6.380   0.675
   21   2HB   ALA   3          2HB       ALA   3   0.060  -5.731  -0.068
   22   3HB   ALA   3          3HB       ALA   3   0.885  -7.109  -0.797
   23    H    ILE   4           H        ILE   4   0.646  -7.529   3.419
   24    HA   ILE   4           HA       ILE   4  -1.687  -5.969   4.327
   25    HB   ILE   4           HB       ILE   4  -1.272  -8.225   5.362
   26   1HG1  ILE   4          2HG1      ILE   4  -1.037  -6.251   7.564
   27   2HG1  ILE   4          1HG1      ILE   4  -2.337  -5.988   6.406
   28   1HG2  ILE   4          1HG2      ILE   4   1.068  -6.788   6.605
   29   2HG2  ILE   4          2HG2      ILE   4   1.154  -8.142   5.479
   30   3HG2  ILE   4          3HG2      ILE   4   0.466  -8.375   7.086
   31   1HD1  ILE   4          1HD1      ILE   4  -2.197  -8.743   7.268
   32   2HD1  ILE   4          2HD1      ILE   4  -3.555  -7.617   7.285
   33   3HD1  ILE   4          3HD1      ILE   4  -2.401  -7.629   8.619
   34    H    ALA   5           H        ALA   5  -1.320  -4.294   5.963
   35    HA   ALA   5           HA       ALA   5   1.418  -3.276   5.982
   36   1HB   ALA   5          1HB       ALA   5   0.365  -2.119   4.160
   37   2HB   ALA   5          2HB       ALA   5   0.541  -0.993   5.503
   38   3HB   ALA   5          3HB       ALA   5  -1.023  -1.731   5.170
   39    H    LYS   6           H        LYS   6   1.800  -3.348   8.275
   40    HA   LYS   6           HA       LYS   6  -0.389  -2.076   9.795
   41   1HB   LYS   6          2HB       LYS   6   0.775  -3.098  11.798
   42   2HB   LYS   6          1HB       LYS   6   0.020  -4.233  10.684
   43   1HG   LYS   6          2HG       LYS   6   2.838  -3.589  10.139
   44   2HG   LYS   6          1HG       LYS   6   2.528  -4.493  11.622
   45   1HD   LYS   6          2HD       LYS   6   1.093  -5.463   9.241
   46   2HD   LYS   6          1HD       LYS   6   2.849  -5.608   9.164
   47   1HE   LYS   6          2HE       LYS   6   1.891  -6.442  11.743
   48   2HE   LYS   6          1HE       LYS   6   1.038  -7.310  10.468
   49   1HZ   LYS   6          1HZ       LYS   6   3.757  -7.558  11.344
   50   2HZ   LYS   6          2HZ       LYS   6   3.638  -7.381   9.668
   51   3HZ   LYS   6          3HZ       LYS   6   2.811  -8.636  10.444
   52    H    HIS   7           H        HIS   7   0.129   0.001   9.396
   53    HA   HIS   7           HA       HIS   7   1.620   1.175  11.305
   54   1HB   HIS   7          2HB       HIS   7   3.014   0.913   8.694
   55   2HB   HIS   7          1HB       HIS   7   3.017   2.532   9.382
   56    HD1  HIS   7           1HD      HIS   7   3.117   1.336  12.390
   57    HD2  HIS   7           2HD      HIS   7   5.762   0.582   9.277
   58    HE1  HIS   7           1HE      HIS   7   5.236   0.581  13.482
   59    HE2  HIS   7           2HE      HIS   7   6.806   0.063  11.584
   60    H    ASP   8           H        ASP   8   0.193   3.064  11.648
   61    HA   ASP   8           HA       ASP   8  -1.824   3.461   9.713
   62   1HB   ASP   8          2HB       ASP   8  -1.750   4.303  12.206
   63   2HB   ASP   8          1HB       ASP   8  -1.010   5.734  11.497
   64    H    PHE   9           H        PHE   9  -2.071   5.387   8.251
   65    HA   PHE   9           HA       PHE   9   0.218   7.052   7.805
   66   1HB   PHE   9          2HB       PHE   9   0.901   4.846   6.721
   67   2HB   PHE   9          1HB       PHE   9  -0.364   5.156   5.538
   68    HD1  PHE   9           1HD      PHE   9   0.063   6.501   3.679
   69    HD2  PHE   9           2HD      PHE   9   2.722   6.610   6.997
   70    HE1  PHE   9           1HE      PHE   9   1.655   7.840   2.364
   71    HE2  PHE   9           2HE      PHE   9   4.311   7.954   5.691
   72    HZ   PHE   9           HZ       PHE   9   3.778   8.573   3.369
   73    H    SER  10           H        SER  10   0.042   8.591   6.335
   74    HA   SER  10           HA       SER  10  -2.423   8.805   4.830
   75   1HB   SER  10          2HB       SER  10  -2.237  10.187   7.208
   76   2HB   SER  10          1HB       SER  10  -1.724  11.394   6.031
   77    HG   SER  10           HG       SER  10  -3.980   9.924   5.358
   78    H    ALA  11           H        ALA  11  -1.518   8.703   2.931
   79    HA   ALA  11           HA       ALA  11   0.662   9.110   1.633
   80   1HB   ALA  11          1HB       ALA  11  -0.653  10.513  -0.073
   81   2HB   ALA  11          2HB       ALA  11  -2.005  10.267   1.025
   82   3HB   ALA  11          3HB       ALA  11  -1.193   8.877   0.314
   83    H    THR  12           H        THR  12   2.065  10.381   0.887
   84    HA   THR  12           HA       THR  12   2.284  13.082   1.995
   85    HB   THR  12           HB       THR  12   4.232  10.870   1.459
   86    HG1  THR  12           1HG      THR  12   3.459  12.082   3.529
   87   1HG2  THR  12          1HG2      THR  12   5.768  12.026   0.340
   88   2HG2  THR  12          2HG2      THR  12   5.883  13.116   1.719
   89   3HG2  THR  12          3HG2      THR  12   4.803  13.500   0.386
   90    H    ALA  13           H        ALA  13   1.682  11.326  -0.830
   91    HA   ALA  13           HA       ALA  13   2.073  13.740  -2.477
   92   1HB   ALA  13          1HB       ALA  13   3.672  12.456  -3.501
   93   2HB   ALA  13          2HB       ALA  13   2.251  11.900  -4.383
   94   3HB   ALA  13          3HB       ALA  13   2.903  10.940  -3.058
   95    H    ASP  14           H        ASP  14   0.445  13.919  -4.234
   96    HA   ASP  14           HA       ASP  14  -2.156  13.542  -3.359
   97   1HB   ASP  14          2HB       ASP  14  -0.811  14.453  -5.789
   98   2HB   ASP  14          1HB       ASP  14  -2.386  13.729  -6.100
   99    H    ASP  15           H        ASP  15  -0.280  11.642  -5.663
  100    HA   ASP  15           HA       ASP  15  -2.465   9.784  -6.121
  101   1HB   ASP  15          2HB       ASP  15  -0.633  10.601  -7.811
  102   2HB   ASP  15          1HB       ASP  15   0.350   9.353  -7.057
  103    H    GLU  16           H        GLU  16  -1.041  10.123  -3.407
  104    HA   GLU  16           HA       GLU  16  -0.022   7.400  -3.099
  105   1HB   GLU  16          2HB       GLU  16   0.339   9.943  -1.583
  106   2HB   GLU  16          1HB       GLU  16   0.542   8.413  -0.742
  107   1HG   GLU  16          2HG       GLU  16   1.967   8.175  -3.117
  108   2HG   GLU  16          1HG       GLU  16   2.317   9.781  -2.517
  109    H    LEU  17           H        LEU  17  -1.366   5.944  -2.410
  110    HA   LEU  17           HA       LEU  17  -3.970   6.587  -1.399
  111   1HB   LEU  17          2HB       LEU  17  -3.294   4.603  -2.850
  112   2HB   LEU  17          1HB       LEU  17  -2.609   3.899  -1.398
  113    HG   LEU  17           HG       LEU  17  -5.051   4.347  -0.459
  114   1HD1  LEU  17          1HD1      LEU  17  -6.449   5.095  -2.018
  115   2HD1  LEU  17          2HD1      LEU  17  -6.343   3.497  -2.758
  116   3HD1  LEU  17          3HD1      LEU  17  -5.287   4.796  -3.312
  117   1HD2  LEU  17          1HD2      LEU  17  -4.788   2.146  -0.281
  118   2HD2  LEU  17          2HD2      LEU  17  -3.660   2.121  -1.638
  119   3HD2  LEU  17          3HD2      LEU  17  -5.393   1.987  -1.930
  120    H    SER  18           H        SER  18  -4.510   6.897   0.669
  121    HA   SER  18           HA       SER  18  -2.628   6.260   2.809
  122   1HB   SER  18          2HB       SER  18  -3.962   7.615   4.239
  123   2HB   SER  18          1HB       SER  18  -3.923   8.459   2.690
  124    HG   SER  18           HG       SER  18  -5.972   7.285   2.275
  125    H    PHE  19           H        PHE  19  -3.560   5.366   4.850
  126    HA   PHE  19           HA       PHE  19  -5.821   3.690   4.780
  127   1HB   PHE  19          2HB       PHE  19  -4.725   1.493   4.782
  128   2HB   PHE  19          1HB       PHE  19  -4.382   2.350   3.284
  129    HD1  PHE  19           1HD      PHE  19  -2.183   2.599   2.566
  130    HD2  PHE  19           2HD      PHE  19  -2.953   1.636   6.636
  131    HE1  PHE  19           1HE      PHE  19   0.228   2.252   2.937
  132    HE2  PHE  19           2HE      PHE  19  -0.551   1.283   7.010
  133    HZ   PHE  19           HZ       PHE  19   1.044   1.596   5.164
  134    H    ARG  20           H        ARG  20  -5.593   1.953   6.666
  135    HA   ARG  20           HA       ARG  20  -4.551   3.461   8.969
  136   1HB   ARG  20          2HB       ARG  20  -6.744   1.385   9.050
  137   2HB   ARG  20          1HB       ARG  20  -6.312   2.544  10.300
  138   1HG   ARG  20          2HG       ARG  20  -6.964   3.980   7.928
  139   2HG   ARG  20          1HG       ARG  20  -8.236   2.801   8.241
  140   1HD   ARG  20          2HD       ARG  20  -7.543   4.002  10.716
  141   2HD   ARG  20          1HD       ARG  20  -7.753   5.292   9.535
  142    HE   ARG  20           HE       ARG  20  -9.791   3.408  10.451
  143   1HH1  ARG  20          1HH1      ARG  20  -8.940   6.113   8.401
  144   2HH1  ARG  20          2HH1      ARG  20 -10.586   6.563   8.111
  145   1HH2  ARG  20          1HH2      ARG  20 -11.949   4.011  10.064
  146   2HH2  ARG  20          2HH2      ARG  20 -12.289   5.373   9.049
  147    H    LYS  21           H        LYS  21  -3.882   1.957  10.911
  148    HA   LYS  21           HA       LYS  21  -1.959   0.126   9.989
  149   1HB   LYS  21          2HB       LYS  21  -1.745  -0.558  12.328
  150   2HB   LYS  21          1HB       LYS  21  -1.832   1.192  12.202
  151   1HG   LYS  21          2HG       LYS  21  -3.579   1.257  13.556
  152   2HG   LYS  21          1HG       LYS  21  -4.465   0.113  12.545
  153   1HD   LYS  21          2HD       LYS  21  -3.846  -1.689  13.806
  154   2HD   LYS  21          1HD       LYS  21  -2.319  -0.958  14.300
  155   1HE   LYS  21          2HE       LYS  21  -3.248   0.105  16.073
  156   2HE   LYS  21          1HE       LYS  21  -4.795   0.340  15.260
  157   1HZ   LYS  21          1HZ       LYS  21  -5.142  -2.113  15.552
  158   2HZ   LYS  21          2HZ       LYS  21  -5.167  -1.207  16.979
  159   3HZ   LYS  21          3HZ       LYS  21  -3.797  -2.118  16.579
  160    H    THR  22           H        THR  22  -2.045  -1.980   9.572
  161    HA   THR  22           HA       THR  22  -2.677  -4.120   9.408
  162    HB   THR  22           HB       THR  22  -4.181  -5.099  10.859
  163    HG1  THR  22           1HG      THR  22  -5.602  -2.706  10.638
  164   1HG2  THR  22          1HG2      THR  22  -2.720  -2.869  11.981
  165   2HG2  THR  22          2HG2      THR  22  -2.951  -4.505  12.597
  166   3HG2  THR  22          3HG2      THR  22  -4.163  -3.264  12.907
  167    H    GLN  23           H        GLN  23  -3.983  -1.760   7.733
  168    HA   GLN  23           HA       GLN  23  -6.403  -3.008   6.850
  169   1HB   GLN  23          2HB       GLN  23  -5.041  -0.538   6.269
  170   2HB   GLN  23          1HB       GLN  23  -5.462  -1.348   4.766
  171   1HG   GLN  23          2HG       GLN  23  -7.610  -1.305   6.752
  172   2HG   GLN  23          1HG       GLN  23  -7.107   0.286   6.184
  173   1HE2  GLN  23          1HE2      GLN  23  -8.519   0.934   4.722
  174   2HE2  GLN  23          2HE2      GLN  23  -9.123  -0.007   3.404
  175    H    ILE  24           H        ILE  24  -6.749  -3.897   4.684
  176    HA   ILE  24           HA       ILE  24  -4.402  -5.415   3.826
  177    HB   ILE  24           HB       ILE  24  -6.470  -6.654   4.428
  178   1HG1  ILE  24          2HG1      ILE  24  -6.464  -8.107   2.408
  179   2HG1  ILE  24          1HG1      ILE  24  -5.539  -6.868   1.562
  180   1HG2  ILE  24          1HG2      ILE  24  -7.801  -4.718   3.057
  181   2HG2  ILE  24          2HG2      ILE  24  -8.481  -6.278   3.522
  182   3HG2  ILE  24          3HG2      ILE  24  -7.817  -6.047   1.903
  183   1HD1  ILE  24          1HD1      ILE  24  -4.701  -8.687   3.757
  184   2HD1  ILE  24          2HD1      ILE  24  -3.915  -7.122   3.584
  185   3HD1  ILE  24          3HD1      ILE  24  -3.879  -8.270   2.262
  186    H    LEU  25           H        LEU  25  -3.335  -4.850   2.010
  187    HA   LEU  25           HA       LEU  25  -4.775  -3.127   0.112
  188   1HB   LEU  25          2HB       LEU  25  -1.793  -3.241   0.490
  189   2HB   LEU  25          1HB       LEU  25  -2.691  -2.105  -0.499
  190    HG   LEU  25           HG       LEU  25  -2.976  -2.268   2.496
  191   1HD1  LEU  25          1HD1      LEU  25  -0.654  -1.700   1.786
  192   2HD1  LEU  25          2HD1      LEU  25  -1.474  -0.419   2.682
  193   3HD1  LEU  25          3HD1      LEU  25  -1.313  -0.308   0.929
  194   1HD2  LEU  25          1HD2      LEU  25  -3.535   0.288   1.400
  195   2HD2  LEU  25          2HD2      LEU  25  -4.641  -0.833   2.195
  196   3HD2  LEU  25          3HD2      LEU  25  -4.413  -0.912   0.450
  197    H    LYS  26           H        LYS  26  -4.713  -3.432  -2.029
  198    HA   LYS  26           HA       LYS  26  -4.073  -6.083  -3.007
  199   1HB   LYS  26          2HB       LYS  26  -5.279  -3.594  -4.196
  200   2HB   LYS  26          1HB       LYS  26  -5.018  -5.061  -5.129
  201   1HG   LYS  26          2HG       LYS  26  -6.598  -5.123  -2.591
  202   2HG   LYS  26          1HG       LYS  26  -7.339  -4.613  -4.107
  203   1HD   LYS  26          2HD       LYS  26  -7.307  -6.701  -4.980
  204   2HD   LYS  26          1HD       LYS  26  -5.780  -7.120  -4.199
  205   1HE   LYS  26          2HE       LYS  26  -7.115  -7.151  -2.020
  206   2HE   LYS  26          1HE       LYS  26  -8.552  -7.150  -3.041
  207   1HZ   LYS  26          1HZ       LYS  26  -6.782  -9.123  -3.972
  208   2HZ   LYS  26          2HZ       LYS  26  -8.325  -9.322  -3.306
  209   3HZ   LYS  26          3HZ       LYS  26  -6.967  -9.322  -2.301
  210    H    ILE  27           H        ILE  27  -1.828  -6.263  -3.211
  211    HA   ILE  27           HA       ILE  27  -0.236  -4.150  -4.344
  212    HB   ILE  27           HB       ILE  27   0.312  -6.904  -3.346
  213   1HG1  ILE  27          2HG1      ILE  27   0.327  -4.888  -1.891
  214   2HG1  ILE  27          1HG1      ILE  27   1.867  -5.744  -1.916
  215   1HG2  ILE  27          1HG2      ILE  27   1.525  -6.539  -5.606
  216   2HG2  ILE  27          2HG2      ILE  27   2.449  -7.100  -4.218
  217   3HG2  ILE  27          3HG2      ILE  27   2.528  -5.407  -4.695
  218   1HD1  ILE  27          1HD1      ILE  27   1.524  -3.530  -3.845
  219   2HD1  ILE  27          2HD1      ILE  27   2.945  -4.046  -2.944
  220   3HD1  ILE  27          3HD1      ILE  27   1.685  -3.107  -2.142
  221    H    LEU  28           H        LEU  28   0.251  -3.803  -6.456
  222    HA   LEU  28           HA       LEU  28  -0.095  -6.002  -8.339
  223   1HB   LEU  28          2HB       LEU  28  -1.579  -4.716  -9.792
  224   2HB   LEU  28          1HB       LEU  28  -2.297  -5.069  -8.232
  225    HG   LEU  28           HG       LEU  28  -0.928  -2.475  -8.375
  226   1HD1  LEU  28          1HD1      LEU  28  -3.056  -3.217 -10.295
  227   2HD1  LEU  28          2HD1      LEU  28  -1.746  -2.043 -10.444
  228   3HD1  LEU  28          3HD1      LEU  28  -3.183  -1.649  -9.500
  229   1HD2  LEU  28          1HD2      LEU  28  -3.225  -3.746  -7.078
  230   2HD2  LEU  28          2HD2      LEU  28  -3.484  -2.067  -7.547
  231   3HD2  LEU  28          3HD2      LEU  28  -2.139  -2.487  -6.495
  232    H    ASN  29           H        ASN  29   1.433  -2.930  -7.605
  233    HA   ASN  29           HA       ASN  29   3.139  -3.497  -9.889
  234   1HB   ASN  29          2HB       ASN  29   1.376  -2.019 -10.814
  235   2HB   ASN  29          1HB       ASN  29   1.799  -0.804  -9.623
  236   1HD2  ASN  29          1HD2      ASN  29   3.839   0.208  -9.758
  237   2HD2  ASN  29          2HD2      ASN  29   4.664   0.308 -11.269
  238    H    MET  30           H        MET  30   4.825  -3.742  -9.057
  239    HA   MET  30           HA       MET  30   6.182  -1.761  -7.357
  240   1HB   MET  30          2HB       MET  30   5.455  -3.720  -6.055
  241   2HB   MET  30          1HB       MET  30   6.414  -4.738  -7.116
  242   1HG   MET  30          2HG       MET  30   8.233  -2.863  -6.363
  243   2HG   MET  30          1HG       MET  30   7.228  -2.993  -4.925
  244   1HE   MET  30          1HE       MET  30   7.949  -5.519  -7.640
  245   2HE   MET  30          2HE       MET  30   8.929  -6.768  -6.877
  246   3HE   MET  30          3HE       MET  30   9.667  -5.241  -7.361
  247    H    GLU  31           H        GLU  31   8.079  -1.155  -8.200
  248    HA   GLU  31           HA       GLU  31  10.090  -2.466  -8.957
  249   1HB   GLU  31          2HB       GLU  31  10.325  -3.065 -11.264
  250   2HB   GLU  31          1HB       GLU  31   8.929  -3.864 -10.572
  251   1HG   GLU  31          2HG       GLU  31   7.661  -3.070 -12.194
  252   2HG   GLU  31          1HG       GLU  31   8.049  -1.420 -11.705
  253    H    ASP  32           H        ASP  32   8.398   0.175 -10.361
  254    HA   ASP  32           HA       ASP  32  10.808   1.469 -11.248
  255   1HB   ASP  32          2HB       ASP  32   7.915   2.254 -11.175
  256   2HB   ASP  32          1HB       ASP  32   9.145   3.497 -11.382
  257    H    ASP  33           H        ASP  33   9.184   1.085  -8.342
  258    HA   ASP  33           HA       ASP  33  10.829   3.168  -7.132
  259   1HB   ASP  33          2HB       ASP  33   7.927   3.223  -7.371
  260   2HB   ASP  33          1HB       ASP  33   8.456   3.347  -5.696
  261    H    SER  34           H        SER  34  12.084   1.381  -6.299
  262    HA   SER  34           HA       SER  34  11.016  -0.804  -4.908
  263   1HB   SER  34          2HB       SER  34  13.365  -0.550  -5.800
  264   2HB   SER  34          1HB       SER  34  13.711   0.459  -4.396
  265    HG   SER  34           HG       SER  34  12.552  -2.051  -3.969
  266    H    ASN  35           H        ASN  35  10.036   1.989  -4.005
  267    HA   ASN  35           HA       ASN  35  10.391   1.443  -1.121
  268   1HB   ASN  35          2HB       ASN  35  11.448   3.678  -2.653
  269   2HB   ASN  35          1HB       ASN  35  10.434   4.205  -1.315
  270   1HD2  ASN  35          1HD2      ASN  35  12.820   1.624  -1.834
  271   2HD2  ASN  35          2HD2      ASN  35  13.748   1.967  -0.420
  272    H    TRP  36           H        TRP  36   8.547   2.864  -3.702
  273    HA   TRP  36           HA       TRP  36   6.263   3.098  -1.881
  274   1HB   TRP  36          2HB       TRP  36   6.880   4.904  -4.239
  275   2HB   TRP  36          1HB       TRP  36   5.461   5.011  -3.198
  276    HD1  TRP  36           HD       TRP  36   9.079   6.054  -3.411
  277    HE1  TRP  36           1HE      TRP  36   9.699   7.473  -1.356
  278    HE3  TRP  36           3HE      TRP  36   4.880   5.295  -0.587
  279    HZ2  TRP  36           2HZ      TRP  36   8.563   8.168   1.136
  280    HZ3  TRP  36           3HZ      TRP  36   4.738   6.376   1.625
  281    HH2  TRP  36           HH       TRP  36   6.536   7.786   2.457
  282    H    TYR  37           H        TYR  37   4.822   1.601  -2.375
  283    HA   TYR  37           HA       TYR  37   4.905   0.316  -4.990
  284   1HB   TYR  37          2HB       TYR  37   3.653  -0.453  -2.360
  285   2HB   TYR  37          1HB       TYR  37   3.400  -1.369  -3.837
  286    HD1  TYR  37           1HD      TYR  37   4.285  -3.218  -2.322
  287    HD2  TYR  37           2HD      TYR  37   6.704   0.008  -3.668
  288    HE1  TYR  37           1HE      TYR  37   6.293  -4.543  -1.852
  289    HE2  TYR  37           2HE      TYR  37   8.729  -1.311  -3.197
  290    HH   TYR  37           HH       TYR  37   9.165  -4.030  -3.048
  291    H    ARG  38           H        ARG  38   3.045  -0.247  -6.156
  292    HA   ARG  38           HA       ARG  38   0.896   1.714  -5.878
  293   1HB   ARG  38          2HB       ARG  38   1.479  -0.043  -8.268
  294   2HB   ARG  38          1HB       ARG  38   0.415   1.353  -8.226
  295   1HG   ARG  38          2HG       ARG  38   2.583   2.642  -7.597
  296   2HG   ARG  38          1HG       ARG  38   3.391   1.241  -8.300
  297   1HD   ARG  38          2HD       ARG  38   3.150   2.313 -10.250
  298   2HD   ARG  38          1HD       ARG  38   1.468   1.795 -10.162
  299    HE   ARG  38           HE       ARG  38   2.416   4.418  -9.209
  300   1HH1  ARG  38          1HH1      ARG  38  -0.030   2.424 -10.726
  301   2HH1  ARG  38          2HH1      ARG  38  -1.062   3.765 -11.088
  302   1HH2  ARG  38          1HH2      ARG  38   1.048   6.166  -9.681
  303   2HH2  ARG  38          2HH2      ARG  38  -0.458   5.882 -10.490
  304    H    ALA  39           H        ALA  39  -0.552   0.884  -4.578
  305    HA   ALA  39           HA       ALA  39  -1.396  -1.903  -4.979
  306   1HB   ALA  39          1HB       ALA  39  -0.495  -1.501  -2.753
  307   2HB   ALA  39          2HB       ALA  39  -2.229  -1.809  -2.650
  308   3HB   ALA  39          3HB       ALA  39  -1.615  -0.160  -2.520
  309    H    GLU  40           H        GLU  40  -3.750  -2.244  -4.280
  310    HA   GLU  40           HA       GLU  40  -5.336  -0.069  -5.472
  311   1HB   GLU  40          2HB       GLU  40  -5.163  -2.042  -6.943
  312   2HB   GLU  40          1HB       GLU  40  -5.905  -3.022  -5.696
  313   1HG   GLU  40          2HG       GLU  40  -7.893  -2.516  -6.485
  314   2HG   GLU  40          1HG       GLU  40  -7.601  -0.816  -6.122
  315    H    LEU  41           H        LEU  41  -7.325   0.419  -4.650
  316    HA   LEU  41           HA       LEU  41  -8.450  -1.084  -2.449
  317   1HB   LEU  41          2HB       LEU  41  -6.801   0.195  -1.256
  318   2HB   LEU  41          1HB       LEU  41  -7.261   1.665  -2.091
  319    HG   LEU  41           HG       LEU  41  -9.557   1.336  -0.947
  320   1HD1  LEU  41          1HD1      LEU  41  -8.512   0.199   1.411
  321   2HD1  LEU  41          2HD1      LEU  41  -8.126  -0.908   0.092
  322   3HD1  LEU  41          3HD1      LEU  41  -9.798  -0.421   0.380
  323   1HD2  LEU  41          1HD2      LEU  41  -8.682   2.461   1.108
  324   2HD2  LEU  41          2HD2      LEU  41  -8.136   3.179  -0.407
  325   3HD2  LEU  41          3HD2      LEU  41  -7.048   2.143   0.516
  326    H    ASP  42           H        ASP  42 -10.594  -0.949  -2.584
  327    HA   ASP  42           HA       ASP  42 -12.676  -0.324  -3.249
  328   1HB   ASP  42          2HB       ASP  42 -11.441   2.038  -2.314
  329   2HB   ASP  42          1HB       ASP  42 -12.285   2.477  -3.795
  330    H    GLY  43           H        GLY  43 -10.974   2.180  -5.101
  331   1HA   GLY  43          2HA       GLY  43 -11.103   0.654  -7.548
  332   2HA   GLY  43          1HA       GLY  43 -12.257   1.978  -7.472
  333    H    LYS  44           H        LYS  44  -9.039   2.078  -6.011
  334    HA   LYS  44           HA       LYS  44  -8.166   3.983  -8.090
  335   1HB   LYS  44          2HB       LYS  44  -8.148   4.285  -5.088
  336   2HB   LYS  44          1HB       LYS  44  -7.103   5.239  -6.132
  337   1HG   LYS  44          2HG       LYS  44  -9.998   5.212  -6.767
  338   2HG   LYS  44          1HG       LYS  44  -9.481   6.091  -5.327
  339   1HD   LYS  44          2HD       LYS  44  -7.776   6.638  -7.616
  340   2HD   LYS  44          1HD       LYS  44  -9.464   7.043  -7.932
  341   1HE   LYS  44          2HE       LYS  44  -9.364   8.203  -5.617
  342   2HE   LYS  44          1HE       LYS  44  -7.616   8.130  -5.838
  343   1HZ   LYS  44          1HZ       LYS  44  -9.422   9.304  -7.871
  344   2HZ   LYS  44          2HZ       LYS  44  -7.745   9.478  -7.742
  345   3HZ   LYS  44          3HZ       LYS  44  -8.761  10.222  -6.612
  346    H    GLU  45           H        GLU  45  -6.004   3.983  -8.554
  347    HA   GLU  45           HA       GLU  45  -4.339   1.927  -7.254
  348   1HB   GLU  45          2HB       GLU  45  -4.812   1.866  -9.790
  349   2HB   GLU  45          1HB       GLU  45  -3.751   3.264  -9.897
  350   1HG   GLU  45          2HG       GLU  45  -1.870   2.048  -9.452
  351   2HG   GLU  45          1HG       GLU  45  -2.737   0.848  -8.493
  352    H    GLY  46           H        GLY  46  -2.934   2.849  -5.716
  353   1HA   GLY  46          2HA       GLY  46  -1.781   5.463  -6.483
  354   2HA   GLY  46          1HA       GLY  46  -2.497   5.244  -4.902
  355    H    LEU  47           H        LEU  47  -0.144   6.218  -4.739
  356    HA   LEU  47           HA       LEU  47   1.814   4.067  -4.535
  357   1HB   LEU  47          2HB       LEU  47   3.055   6.403  -3.636
  358   2HB   LEU  47          1HB       LEU  47   3.258   5.623  -5.185
  359    HG   LEU  47           HG       LEU  47   1.132   7.691  -4.707
  360   1HD1  LEU  47          1HD1      LEU  47   3.532   8.536  -6.146
  361   2HD1  LEU  47          2HD1      LEU  47   3.780   8.239  -4.426
  362   3HD1  LEU  47          3HD1      LEU  47   2.558   9.396  -4.954
  363   1HD2  LEU  47          1HD2      LEU  47   1.560   7.960  -7.224
  364   2HD2  LEU  47          2HD2      LEU  47   0.654   6.549  -6.680
  365   3HD2  LEU  47          3HD2      LEU  47   2.357   6.393  -7.111
  366    H    ILE  48           H        ILE  48   2.786   3.527  -2.515
  367    HA   ILE  48           HA       ILE  48   1.781   4.871  -0.123
  368    HB   ILE  48           HB       ILE  48   1.033   2.787   0.933
  369   1HG1  ILE  48          2HG1      ILE  48   0.536   1.056  -1.165
  370   2HG1  ILE  48          1HG1      ILE  48   2.154   1.655  -1.522
  371   1HG2  ILE  48          1HG2      ILE  48  -1.083   2.815  -0.007
  372   2HG2  ILE  48          2HG2      ILE  48  -0.462   3.015  -1.646
  373   3HG2  ILE  48          3HG2      ILE  48  -0.426   4.368  -0.516
  374   1HD1  ILE  48          1HD1      ILE  48   1.830  -0.466  -0.062
  375   2HD1  ILE  48          2HD1      ILE  48   1.516   0.701   1.223
  376   3HD1  ILE  48          3HD1      ILE  48   3.058   0.725   0.368
  377    HA   PRO  49           HA       PRO  49   5.797   4.277   1.591
  378   1HB   PRO  49          2HB       PRO  49   4.982   3.598   4.174
  379   2HB   PRO  49          1HB       PRO  49   5.349   5.211   3.568
  380   1HG   PRO  49          2HG       PRO  49   2.714   3.872   3.899
  381   2HG   PRO  49          1HG       PRO  49   3.146   5.572   4.093
  382   1HD   PRO  49          2HD       PRO  49   1.815   4.696   1.932
  383   2HD   PRO  49          1HD       PRO  49   3.007   6.005   1.814
  384    H    SER  50           H        SER  50   7.114   2.608   1.486
  385    HA   SER  50           HA       SER  50   6.204  -0.123   1.318
  386   1HB   SER  50          2HB       SER  50   8.387   1.199   0.362
  387   2HB   SER  50          1HB       SER  50   9.077   0.369   1.750
  388    HG   SER  50           HG       SER  50   7.419  -1.125   0.091
  389    H    ASN  51           H        ASN  51   7.943   1.752   3.750
  390    HA   ASN  51           HA       ASN  51   8.549  -0.402   5.437
  391   1HB   ASN  51          2HB       ASN  51   8.835   2.458   5.427
  392   2HB   ASN  51          1HB       ASN  51   8.367   1.904   7.030
  393   1HD2  ASN  51          1HD2      ASN  51   9.960   1.344   8.313
  394   2HD2  ASN  51          2HD2      ASN  51  11.534   0.828   7.821
  395    H    TYR  52           H        TYR  52   5.509   1.128   4.981
  396    HA   TYR  52           HA       TYR  52   4.610   0.447   7.680
  397   1HB   TYR  52          2HB       TYR  52   3.241   1.898   5.411
  398   2HB   TYR  52          1HB       TYR  52   2.447   1.499   6.930
  399    HD1  TYR  52           1HD      TYR  52   2.047   3.590   7.900
  400    HD2  TYR  52           2HD      TYR  52   5.929   2.716   6.399
  401    HE1  TYR  52           1HE      TYR  52   2.904   5.667   8.904
  402    HE2  TYR  52           2HE      TYR  52   6.789   4.783   7.397
  403    HH   TYR  52           HH       TYR  52   5.671   6.328   9.671
  404    H    ILE  53           H        ILE  53   4.913  -1.067   4.728
  405    HA   ILE  53           HA       ILE  53   2.987  -3.037   5.573
  406    HB   ILE  53           HB       ILE  53   1.596  -2.872   3.830
  407   1HG1  ILE  53          2HG1      ILE  53   2.751  -2.415   1.410
  408   2HG1  ILE  53          1HG1      ILE  53   4.058  -3.238   2.247
  409   1HG2  ILE  53          1HG2      ILE  53   1.961  -0.793   2.302
  410   2HG2  ILE  53          2HG2      ILE  53   3.221  -0.401   3.462
  411   3HG2  ILE  53          3HG2      ILE  53   1.557  -0.577   4.001
  412   1HD1  ILE  53          1HD1      ILE  53   1.464  -4.248   1.307
  413   2HD1  ILE  53          2HD1      ILE  53   2.011  -4.858   2.864
  414   3HD1  ILE  53          3HD1      ILE  53   3.019  -5.061   1.437
  415    H    GLU  54           H        GLU  54   3.233  -5.108   4.433
  416    HA   GLU  54           HA       GLU  54   5.850  -5.651   3.241
  417   1HB   GLU  54          2HB       GLU  54   5.205  -6.202   5.933
  418   2HB   GLU  54          1HB       GLU  54   5.134  -7.739   5.088
  419   1HG   GLU  54          2HG       GLU  54   7.366  -7.719   4.578
  420   2HG   GLU  54          1HG       GLU  54   7.478  -5.961   4.650
  421    H    MET  55           H        MET  55   5.845  -7.610   1.979
  422    HA   MET  55           HA       MET  55   3.450  -8.172   0.670
  423   1HB   MET  55          2HB       MET  55   4.878 -10.425   0.144
  424   2HB   MET  55          1HB       MET  55   5.042  -8.910  -0.726
  425   1HG   MET  55          2HG       MET  55   7.203  -9.830  -0.148
  426   2HG   MET  55          1HG       MET  55   6.939  -8.297   0.676
  427   1HE   MET  55          1HE       MET  55   9.116  -9.839   1.186
  428   2HE   MET  55          2HE       MET  55   9.030 -11.334   2.118
  429   3HE   MET  55          3HE       MET  55   9.215  -9.790   2.948
  430    H    LYS  56           H        LYS  56   1.766  -9.348   1.155
  431    HA   LYS  56           HA       LYS  56   1.856 -11.137   3.419
  432   1HB   LYS  56          2HB       LYS  56  -0.100  -9.325   2.693
  433   2HB   LYS  56          1HB       LYS  56  -0.732 -10.832   2.053
  434   1HG   LYS  56          2HG       LYS  56   0.070 -10.280   4.908
  435   2HG   LYS  56          1HG       LYS  56  -1.575 -10.396   4.288
  436   1HD   LYS  56          2HD       LYS  56  -0.655 -12.777   3.499
  437   2HD   LYS  56          1HD       LYS  56   0.390 -12.531   4.892
  438   1HE   LYS  56          2HE       LYS  56  -2.413 -11.897   5.398
  439   2HE   LYS  56          1HE       LYS  56  -2.149 -13.575   4.922
  440   1HZ   LYS  56          1HZ       LYS  56  -1.793 -12.529   7.421
  441   2HZ   LYS  56          2HZ       LYS  56  -0.218 -12.693   6.827
  442   3HZ   LYS  56          3HZ       LYS  56  -1.248 -14.035   6.880
  443    H    ASN  57           H        ASN  57  -0.384 -12.681   2.326
  444    HA   ASN  57           HA       ASN  57  -0.632 -14.649   1.195
  445   1HB   ASN  57          2HB       ASN  57   0.406 -12.652  -0.728
  446   2HB   ASN  57          1HB       ASN  57   0.441 -14.327  -1.257
  447   1HD2  ASN  57          1HD2      ASN  57  -2.080 -14.615   0.622
  448   2HD2  ASN  57          2HD2      ASN  57  -3.352 -14.072  -0.406
  449    H    HIS  58           H        HIS  58   1.363 -14.818   2.921
  450    HA   HIS  58           HA       HIS  58   3.083 -16.776   1.668
  451   1HB   HIS  58          2HB       HIS  58   4.040 -14.173   1.914
  452   2HB   HIS  58          1HB       HIS  58   4.755 -15.024   3.279
  453    HD1  HIS  58           1HD      HIS  58   6.068 -17.325   2.560
  454    HD2  HIS  58           2HD      HIS  58   5.377 -14.516  -0.421
  455    HE1  HIS  58           1HE      HIS  58   7.683 -17.888   0.720
  456    HE2  HIS  58           2HE      HIS  58   7.304 -16.128  -1.039
  457    H    ASP  59           H        ASP  59   1.045 -16.197   3.996
  458    HA   ASP  59           HA       ASP  59   2.510 -17.817   5.964
  459   1HB   ASP  59          2HB       ASP  59   2.101 -15.308   6.556
  460   2HB   ASP  59          1HB       ASP  59   0.440 -15.824   6.829