*HEADER    VIRAL PROTEIN                           27-DEC-10   2L7X              
*TITLE     CRIMEAN CONGO HEMORRHAGIC FEVER GN ZINC FINGER                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ENVELOPE GLYCOPROTEIN;                                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: SEQUENCE DATABASE RESIDUES 734-810;                        
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: CRIMEAN-CONGO HEMORRHAGIC FEVER VIRUS;          
*SOURCE   3 ORGANISM_TAXID: 11593;                                               
*SOURCE   4 STRAIN: SPU103/87;                                                   
*SOURCE   5 GENE: GPC;                                                           
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 511693;                                     
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET21A;                                    
*SOURCE  10 OTHER_DETAILS: MODIFIED TO INCLUDE GB1 SOLUBILITY ENHANCEMENT TAG AT 
*SOURCE  11 N TERMINUS                                                           
*KEYWDS    CYTOPLASMIC TAIL, VIRAL PROTEIN                                       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    1                                                                     
*AUTHOR    D.F.ESTRADA, R.N.DE GUZMAN                                            
*REVDAT   1   20-APR-11 2L7X    0                                                


30 GLU- HA 30 GLU- HB3 2.7     #dfe0423 stereo g-60
30 GLU- HN 30 GLU- HB2 2.7     #dfe0423 stereo g-60
30 GLU- HA 30 GLU- HB2 4.5 #dfe0728
30 GLU- HN 30 GLU- HB3 4.5 #dfe0728
30 GLU- HB2 31 LEU HN 4.5 #dfe0629
30 GLU- HB3 31 LEU HN 4.5 #dfe0629
30 GLU- QG 31 LEU HN 5.5 #dfe0629
30 GLU- HA 31 LEU HN 2.7
30 GLU- HA 31 LEU HA 4.5
31 LEU HA 31 LEU HB2 2.7     #dfe0423 stereo t-180
31 LEU HN 31 LEU HB3 2.7     #dfe0423 stereo t-180
31 LEU HN 31 LEU HB2 2.7  #dfe0722
31 LEU HA 32 LYS+ HN 2.7 #dfe0615
31 LEU QQD 32 LYS+ HN 4.5 #dfe0629
31 LEU HN 32 LYS+ HN 4.5
31 LEU HA 32 LYS+ HA 4.5
31 LEU HN 32 LYS+ HA 5.5
32 LYS+ HA 32 LYS+ HB2 2.7 #dfe0615 wants to be g+60
32 LYS+ HA 32 LYS+ HB3 3.5 #dfe0728
32 LYS+ HN 32 LYS+ HB2 3.5 #dfe0629
32 LYS+ HN  32 LYS+ HB3 2.7 #dfe0615
32 LYS+ HA 33 PRO HD2 2.7 #dfe0615 trans 
32 LYS+ HA 33 PRO HD3 3.5
32 LYS+ HB3 33 PRO QD 4.5 #dfe0616
32 LYS+ HB2 33 PRO QD 4.5 #dfe0616
32 LYS+ QG 33 PRO QD 5.5 #dfe0629
32 LYS+ QE 33 PRO QD 4.5 #dfe0629
33 PRO QB 49 ALA QB 3.5 #dfe0525 trans
33 PRO QB 34 GLN HN 3.5 #dfe0618
33 PRO QD 34 GLN HN 5.5 #dfe0706
33 PRO QG 49 ALA QB 3.5
33 PRO HA 34 GLN HN 2.7
33 PRO HA 34 GLN HA 4.5
34 GLN HA 34 GLN HB3 3.5 #dfe0610 wants to be t-180
34 GLN HN 34 GLN HB2 2.7 #dfe0610
34 GLN HN 34 GLN HB3 2.7
34 GLN HA 34 GLN HB2 2.7
34 GLN HA 35 THR HN 2.7 #dfe0616
34 GLN QG 35 THR HN 3.5 #dfe0616
34 GLN HB3 35 THR HN 4.5 #dfe0616
34 GLN HB2 35 THR HN 4.5 #dfe0616
34 GLN HA 42 THR QG2 5.5 #dfe0629
34 GLN HA 35 THR HA 4.5 #dfe0707
34 GLN HA 35 THR HB 5.5 #dfe0707
35 THR HA 35 THR QG2 2.7 #dfe0728 stereo g+60
35 THR HA 35 THR HB  2.7 #dfe0728
35 THR HN 35 THR HB 4.5 #dfe0728
35 THR HN 35 THR QG2 2.7 #dfe0728
35 THR HB 40 GLU- HA 4.5
35 THR HB 40 GLU- HB3 5.5
35 THR HN 36 CYS- HN 4.5 #dfe0616
35 THR QG2 36 CYS- HN 5.5 #dfe0616
35 THR HA 36 CYS- HN 2.7 #dfe0616
35 THR QG2 41 THR HN 5.5 #dfe0617
35 THR QG2 42 THR HB 4.5 #dfe0622
35 THR HB 43 PRO QD 5.5 #dfe0622
35 THR QG2 43 PRO QD 5.5 #dfe0622
35 THR HB 42 THR HA 5.5 #dfe0622
35 THR QG2 40 GLU- QG 5.5 #dfe0623
35 THR HA 42 THR HA 2.7 #dfe0707
35 THR HA 43 PRO QD 3.5 #dfe0707
35 THR HA 36 CYS- HB2 5.5 #dfe0707
35 THR HA 42 THR QG2 4.5 #dfe0707
35 THR HB 42 THR QG2 4.5 #dfe0707
35 THR HB 37 THR QG2 4.5 #dfe0707
35 THR QG2 42 THR HA 3.5 #dfe0708
36 CYS- HA 36 CYS- HB2 2.7 #dfe0616 stereo t-180
36 CYS- HA 36 CYS- HB3 4.5 #dfe0728
36 CYS- HN 36 CYS- HB2 2.7 #dfe0616
36 CYS- HN 36 CYS- HB3 2.7 #dfe0728
36 CYS- HN 37 THR HN 4.5 #dfe0616
36 CYS- HN 37 THR HA 5.5 #dfe0616
36 CYS- HB2 37 THR HN 4.5 #dfe0616
36 CYS- HB3 37 THR HN 5.5 #dfe0616
36 CYS- HA 37 THR QG2 4.5 #dfe0623
36 CYS- HA      37 THR HN       3.5
36 CYS- QB 52 HIS HE1 5.5 #dfe0616 
36 CYS- HB3 41 THR HN 4.5 #dfe0617
36 CYS- HB2 41 THR HN 5.5 #dfe0617
36 CYS- HB3 41 THR HB 4.5 #dfe0617
36 CYS- HB2 41 THR HB 5.5 #dfe0617
36 CYS- HB3 40 GLU- HN 4.5 #dfe0617
36 CYS- HB2 40 GLU- HN 5.5 #dfe0617
36 CYS- HB3 39 CYS- HN 4.5 #dfe0617
36 CYS- HB2 39 CYS- HN 5.5 #dfe0617
36 CYS- HB3 43 PRO QD 5.5 #dfe0625
36 CYS- HB2 43 PRO QD 5.5 #dfe0630
36 CYS- HB2 52 HIS HB2 5.5 #dfe0630
36 CYS- HB3 52 HIS HB3 4.5 #dfe0630
36 CYS- HB3 52 HIS HB2 5.5 #dfe0630
36 CYS- HB2 52 HIS HB3 5.5 #dfe0630
36 CYS- HA 52 HIS QB 5.5 #dfe0630
36 CYS- HA 38 ILE HN 4.5 #dfe0706
36 CYS- HB3 38 ILE HN 4.5 #dfe0706
36 CYS- HB2 38 ILE HN 5.5 #dfe0706
36 CYS- HA 40 GLU- HN 5.5 #dfe0707
37 THR HN 37 THR QG2 2.7 #dfe0616 stereo g+60
37 THR HA 37 THR HB 2.7 #dfe0616
37 THR HA 37 THR QG2 2.7 #dfe0616
37 THR HN 38 ILE HN 2.7 #dfe0616
37 THR HB 38 ILE HN 4.5 #dfe0616 (change to 3.5 if still bad)
37 THR HB 38 ILE QD1 4.5 #dfe0622
37 THR HN 38 ILE HG12 5.5 #dfe0706
37 THR HN 38 ILE HB 5.5 #dfe0706
37 THR HN 38 ILE QG2 5.5 #dfe0706
37 THR HA 40 GLU- HN 4.5 #dfe0707
37 THR HN 53 ASP- HA 5.5
38 ILE HA 38 ILE QG2 2.7 #dfe0616 stereo g-60
38 ILE HN 38 ILE HB 2.7 #dfe0616
38 ILE QD1 57 SER HA 3.5  #dfe0513
38 ILE QG2 57 SER HA 4.5 #dfe0513
38 ILE QG1 57 SER HA 5.5 #dfe0513
38 ILE HB 57 SER HA 5.5 #dfe0513
38 ILE HB 56 CYSZ HB3 3.5 #dfe0513
38 ILE HB 56 CYSZ HB2 4.5 #dfe0701
38 ILE QG2 56 CYSZ HB2 4.5 #dfe0521
38 ILE QG2 56 CYSZ HB3 4.5 #dfe0701
38 ILE HB 56 CYSZ HA 4.5 # dfe0609
38 ILE QG2 56 CYSZ HA 4.5 # dfe0609
38 ILE QD1 56 CYSZ HA 4.5 # dfe0609
38 ILE QD1 57 SER HB2 3.5  #dfe0513
38 ILE QD1 57 SER HB3 3.5 #dfe0701
38 ILE QG2 57 SER HB2 4.5 #dfe0513
38 ILE QG2 57 SER HB3 4.5 #dfe0701
38 ILE QG1 57 SER HB2 5.5 #dfe0513
38 ILE QG1 57 SER HB3 5.5 #dfe0701
38 ILE HB 57 SER HB2 5.5 #dfe0513
38 ILE QG2 73 LEU QD1 4.5 # dfe0523
38 ILE QD1 57 SER HN 4.5 # dfe0609
38 ILE HG12 57 SER HN 5.5 # dfe0609
38 ILE HB 57 SER HN 5.5 # dfe0609
38 ILE QD1 56 CYSZ HN 5.5 # dfe0609
38 ILE HN 39 CYS- HN 2.7 #dfe0616
38 ILE HN 40 GLU- HN 3.5 #dfe0616
38 ILE HA 39 CYS- HN 4.5 #dfe0616
38 ILE HB 39 CYS- HN 3.5 #dfe0616
38 ILE HG12 39 CYS- HN 4.5 #dfe0616
38 ILE QG2 39 CYS- HN 4.5 #dfe0616
38 ILE QD1 53 ASP- HA 5.5 #dfe0622
38 ILE QD1 56 CYSZ HB2 4.5 #dfe0622
38 ILE QD1 56 CYSZ HB3 4.5 #dfe0701
38 ILE QG2 39 CYS- HA 4.5 #dfe0629
38 ILE HG13 56 CYSZ HB3 5.5 #dfe0701
38 ILE HG13 56 CYSZ HB2 5.5 #dfe0701
38 ILE HB 40 GLU- HN 5.5 #dfe0707
38 ILE HA 73 LEU  QD1 4.5
39 CYS- HA 39 CYS- QB 2.7 #dfe0616 stereo g+60
39 CYS- HN 39 CYS- HB3 2.7 #dfe0616 
39 CYS- HA 74 ALA QB 3.5 #dfe0513
39 CYS- HA 74 ALA HA 4.5 #dfe0513
39 CYS- QB 74 ALA HA 5.5 #dfe0513
39 CYS- QB 74 ALA QB 5.5 #dfe0607 sees both equally 
39 CYS- HB2 74 ALA QB 4.5 #dfe0607 
39 CYS- HB3 74 ALA QB 5.5 #dfe0607 
39 CYS- HA 73 LEU HB2 5.5 # dfe0523
39 CYS- HA 73 LEU HB3 4.5 #dfe0607 
39 CYS- HA 73 LEU QD1 4.5 # dfe0523
39 CYS- HA 73 LEU QD1 4.5 #dfe0706
39 CYS- HB2 73 LEU QD1 4.5 # dfe0523
39 CYS- HB3 73 LEU QD1 5.5 #dfe0616
39 CYS- HB2 77 VAL QG2 4.5 #dfe0531
39 CYS- HB3 77 VAL QG2 5.5 #dfe0616
39 CYS- HB2 77 VAL QG1 5.5 #dfe0531
39 CYS- HB3 77 VAL QG1 5.5 #dfe0625
39 CYS- HA 77 VAL QG1 5.5 #dfe0629
39 CYS- HA 77 VAL QG2 5.5 #dfe0629
39 CYS- HA 77 VAL HB 4.5 #dfe0629
39 CYS- HA 74 ALA HN 5.5 #dfe0607 
39 CYS- HN 40 GLU- HN 3.5 #dfe0616
39 CYS- HN 40 GLU- HA 4.5 #dfe0616
39 CYS- HA 40 GLU- HN 4.5 #dfe0616
39 CYS- HB2 40 GLU- HN 5.5 #dfe0617
39 CYS- HB3 40 GLU- HN 5.5 #dfe0630
39 CYS- HB2 41 THR HN 5.5 #dfe0617
39 CYS- HB3 41 THR HN 5.5 #dfe0630
39 CYS- HN 40 GLU- QG 5.5 #dfe0706
39 CYS- HN 73 LEU QD1 5.5 #dfe0706
39 CYS- HN 77 VAL QG2 5.5 #dfe0706
39 CYS- HN 77 VAL HB 5.5 #dfe0706
39 CYS- HB2 41 THR HB 5.5 #dfe0708
39 CYS- HB3 41 THR HB 5.5 #dfe0708
40 GLU- HA 40 GLU- HB3 2.7 #dfe0616 stereo g-60
40 GLU- HN 40 GLU- HB2 2.7 #dfe0616
40 GLU- HA 74 ALA QB 5.5 
40 GLU- HN 41 THR HN 4.5 #dfe0616
40 GLU- HA 41 THR HN 3.5 #dfe0617
40 GLU- QG 41 THR HN 5.5 #dfe0706
40 GLU- QB 41 THR HN 5.5 #dfe0706
41 THR HA 41 THR QG2 2.7 #dfe0617 stereo g-60
41 THR HN 41 THR HB 2.7 #dfe0617
41 THR HN 42 THR HN 4.5 #dfe0617
41 THR HB 52 HIS HE1 2.7 #dfe0617
41 THR HA 52 HIS HE1 4.5 #dfe0617
41 THR QG2 77 VAL QG1 4.5 #dfe0625
41 THR QG2 77 VAL QG2 5.5 #dfe0625
41 THR QG2 77 VAL HA 5.5 #dfe0625
41 THR HA 42 THR HB 5.5 #dfe0708
41 THR HA 42 THR HN 2.7 #dfe0708
41 THR HB 77 VAL QG1 3.5 #dfe0708
41 THR HB 77 VAL QG2 4.5 #dfe0708
41 THR HA 77 VAL QG1 4.5 #dfe0708
41 THR HA 78 THR QG2 5.5 #dfe0708
41 THR HA 83 ARG+ QD 5.5 #dfe0708
41 THR HA 77 VAL HB 5.5 #dfe0708
41 THR HB 77 VAL HB 4.5 #dfe0708
41 THR HB 83 ARG+ QD 4.5 #dfe0708
41 THR HN 77 VAL QG1 5.5 #dfe0708
41 THR QG2 43 PRO HA 4.5 #dfe0708
41 THR QG2 78 THR HA 4.5 #dfe0708
41 THR QG2 78 THR HA 4.5 #dfe0708
41 THR HN 42 THR HA 5.5
41 THR HA 42 THR HA 4.5
42 THR HA 42 THR QG2 2.7 #dfe0617 stereo g-60
42 THR HN 42 THR HB 4.5 #dfe0617  loosen on 0625
42 THR QG2 43 PRO QD 4.5 #dfe0622
42 THR QG2 43 PRO QB 5.5 #dfe0622
42 THR HA 43 PRO QD 3.5 #dfe0708
42 THR HA 43 PRO QB 5.5 #dfe0708
42 THR HA 43 PRO QG 5.5 #dfe0708
43 PRO QD 49 ALA QB 5.5 #dfe0622
43 PRO QG 49 ALA HA 4.5 #dfe0622
43 PRO QG 49 ALA QB 5.5 #dfe0622
43 PRO HA 49 ALA QB 4.5 #dfe0708
43 PRO HA 44 VAL QQG 4.5 #dfe0708
43 PRO HA 52 HIS HD2 4.5 #dfe0708
43 PRO HA 52 HIS HE1 5.5 #dfe0708
43 PRO HA 45 ASN HD22 5.5
44 VAL HA 44 VAL QG1 2.7 #dfe0610 stereo t-180
44 VAL HA 44 VAL QG2 2.7 #dfe0610 
44 VAL HA 44 VAL HB 3.5 #dfe0610
44 VAL HN 44 VAL QG2 2.7 #dfe0610
44 VAL HN 44 VAL HB 2.7 #dfe0610
44 VAL HN 48 ASP- HN 5.5 #dfe0610
44 VAL HB 87 VAL QG1 3.5 #dfe0525
44 VAL HA 87 VAL QG1 4.5 #dfe0525
44 VAL HA 44 VAL HB 3.5 #dfe0610 
44 VAL QG2 90 THR HB 5.5 #dfe0610
44 VAL HN 45 ASN HN 3.5 #dfe0610
44 VAL QG2 45 ASN HN 3.5 #dfe0610
44 VAL HA 45 ASN HN 4.5 #dfe0610
44 VAL HB 45 ASN HN 4.5 #dfe0610 
44 VAL HN 48 ASP- QB 4.5 #dfe0610
44 VAL QQG 45 ASN HD21 3.5 #dfe0701
44 VAL QQG 45 ASN HD22 3.5 #dfe0701
44 VAL HN 87 VAL QG2 5.5 #dfe0701
44 VAL QQG 87 VAL HA 4.5 #dfe0707
44 VAL HB 87 VAL HA 5.5 #dfe0708
44 VAL QQG 84 LYS+ HA 5.5 #dfe0708
45 ASN HA 45 ASN HB3 2.7 #dfe0610 stereo g-60
45 ASN HN 45 ASN HB2 3.5 #dfe0629
45 ASN HA 45 ASN HB2 2.7
45 ASN HN 45 ASN HB3 2.7
45 ASN HB2 44 VAL QQG 5.5 #dfe0525
45 ASN HA 44 VAL QQG 5.5 #dfe0525
45 ASN HA 46 ALA QB 5.5 #dfe0610
45 ASN HN 48 ASP- HN 4.5 #dfe0610
45 ASN HN 48 ASP- QB 2.7 #dfe0610
45 ASN HD21 90 THR QG2 4.5 #dfe0701
45 ASN HD22 90 THR QG2 4.5 #dfe0701
45 ASN HD21 90 THR HB 5.5 #dfe0701
45 ASN HD22 90 THR HB 5.5 #dfe0701
45 ASN HD21 87 VAL QG2 4.5 #dfe0701
45 ASN HD22 87 VAL QG2 4.5 #dfe0701
45 ASN QB 48 ASP- HN 5.5 #dfe0706
45 ASN HA 47 ILE HN 5.5 #dfe0706
45 ASN QB 47 ILE HN 4.5 #dfe0706
45 ASN HN 49 ALA QB 5.5 #dfe0707
45 ASN HN 90 THR QG2 5.5 #dfe0707
45 ASN HA 48 ASP- QB 5.5 #dfe0708
46 ALA HA 49 ALA HN 4.5 # dfe0609
46 ALA HA 49 ALA QB 4.5 # dfe0609
46 ALA QB 47 ILE HN 3.5 #dfe0610
46 ALA QB 47 ILE HA 4.5 #dfe0623
46 ALA HN 47 ILE HN 2.7 #dfe0625
46 ALA HA 49 ALA HN 3.5 #dfe0702
46 ALA HA 48 ASP- HN 5.5 #dfe0706
47 ILE HA 47 ILE QG2 2.7 #dfe0610 stereo g-60
47 ILE HA 47 ILE HB 3.5 #dfe0610
47 ILE HN 47 ILE HB 2.7 #dfe0610
47 ILE HN 48 ASP- QB 5.5 #dfe0610
47 ILE HN 48 ASP- HN 2.7  #  nnoe KD
47 ILE HA 50 GLU- QB       4.5     #dfe0510
47 ILE HB 90 THR HA 5.5 #dfe0511
47 ILE HB 90 THR HB 4.5     #dfe0511
47 ILE HB  90 THR QG2 5.5 #dfe0511
47 ILE QG2 90 THR QG2 4.5 #dfe0511
47 ILE QG2 50 GLU- QB 5.5 #dfe0511#dfe0625
47 ILE QG2 48 ASP- HB2 5.5 #dfe0511
47 ILE QG2 48 ASP- HB3 5.5 #dfe0629
47 ILE QG2 90 THR HB 4.5 #dfe0511
47 ILE QG2 90 THR HA 5.5 #dfe0511
47 ILE QD1 90 THR HA 5.5 #dfe0511
47 ILE QD1 90 THR HB 5.5 #dfe0511
47 ILE HA 50 GLU- HN 5.5 # dfe0609
47 ILE HB 48 ASP- HN 3.5 # dfe0609
47 ILE QG2 48 ASP- HN 4.5 # dfe0609
47 ILE HA 48 ASP- HN 5.5 # dfe0609
47 ILE QG2 51 MET QE 5.5 #dfe0610 
47 ILE QG2 48 ASP- HA 5.5 #dfe0610
47 ILE QG1 48 ASP- HN 4.5 #dfe0706
47 ILE HB 50 GLU- HN 5.5 #dfe0706
47 ILE QG1 50 GLU- HN 5.5 #dfe0706
47 ILE QG2 50 GLU- HN 5.5 #dfe0706
48 ASP- HN 48 ASP- HB2 2.7
48 ASP- HN 48 ASP- HB3 2.7 #dfe0629 stereo t-180
48 ASP- HA 48 ASP- HB2 2.7
48 ASP- HA 48 ASP- HB3 4.5
48 ASP- HN 49 ALA HN 2.7  #  nnoe KD
48 ASP- HA 51 MET QE 5.5 #dfe0531
48 ASP- HB2 51 MET QE 4.5 #dfe0531
48 ASP- HB3 51 MET QE 5.5 #dfe0629
48 ASP- HA 87 VAL QG1 5.5 #dfe0531
48 ASP- QB 51 MET HN 5.5 # dfe0609
48 ASP- HA 51 MET HN 4.5 # dfe0609
48 ASP- QB 49 ALA HN 4.5 # dfe0609
48 ASP- HA 52 HIS HD2 4.5 #dfe0630 
48 ASP- HN 49 ALA QB 4.5 #dfe0706
48 ASP- HA 50 GLU- HN 5.5 #dfe0706
48 ASP- QB 50 GLU- HN 5.5 #dfe0706
48 ASP- HA 87 VAL QG2 5.5 #dfe0708
48 ASP- QB 87 VAL QG1 5.5 #dfe0708
49 ALA HN 50 GLU- HN 2.7  #  nnoe KD
49 ALA HA 52 HIS QB 5.5 #dfe0513
49 ALA QB 51 MET HN 5.5 # dfe0609
49 ALA QB 50 GLU- HA 4.5 # dfe0609
49 ALA QB 50 GLU- HN 4.5 # dfe0609
49 ALA QB 52 HIS HD2 5.5 #dfe0630 
50 GLU- HA 50 GLU- HB2 2.7 # dfe0609 stereo t-180
50 GLU- HA 50 GLU- HB3 4.5
50 GLU- HN 50 GLU- HB2 2.7
50 GLU- HN 50 GLU- HB3 2.7
50 GLU- HN 51 MET HN 2.7  #  nnoe KD
50 GLU- QB 53 ASP- HB3 4.5 #dfe0513
50 GLU- QB 53 ASP- HB2 5.5 #dfe0702
50 GLU- HA 53 ASP- HB3 4.5 # dfe0609
50 GLU- HA 53 ASP- HB2 5.5 # dfe0609
50 GLU- QG 54 LEU HB3 4.5 # dfe0609
50 GLU- QG 54 LEU HB2 5.5 # dfe0609
50 GLU- HA 54 LEU HB2 5.5 # dfe0609
50 GLU- HA 53 ASP- HN 3.5 #dfe0702
50 GLU- QB 53 ASP- HN 4.5 #dfe0706
50 GLU- QB 54 LEU HN 5.5 #dfe0706
51 MET HA 51 MET QB 2.7 # dfe0609 stereo g+60
51 MET HN 51 MET HB3 2.7 # dfe0609
51 MET HN 51 MET HB2 3.5 # dfe0609
51 MET HN 52 HIS HN 2.7 # dfe0609
51 MET HA 54 LEU QB 5.5 # dfe0609
51 MET QG 99 ILE QD1 4.5 #dfe0622
51 MET QG 99 ILE QG2 5.5 #dfe0622
51 MET QE 63 TYR QD 5.5 #dfe0629
51 MET QE 63 TYR QE 5.5 #dfe0629
51 MET HG2 52 HIS HD2 4.5 #dfe0701
51 MET QE  63 TYR QE 5.5 #dfe0701
51 MET QE 63 TYR QD 5.5 #dfe0701
51 MET QE 52 HIS HA 5.5 #dfe0702
51 MET QB 52 HIS HA 4.5 #dfe0702
51 MET HN 54 LEU QQD 4.5 #dfe0702
51 MET HA 55 ASN HD21 4.5 #dfe0702
51 MET HA 55 ASN HD22 5.5 #dfe0702
51 MET HA 54 LEU HN 3.5 #dfe0702
51 MET HB3 52 HIS HN 4.5 #dfe0706
51 MET HN 52 HIS HB2 5.5 #dfe0706
51 MET HN 52 HIS HB3 5.5 #dfe0706
51 MET QE 63 TYR HA 3.5
52 HIS HA 52 HIS HB3 2.7 # dfe0609 stereo g-60
52 HIS HN 52 HIS HB2 2.7 # dfe0609
52 HIS HA 52 HIS HB2 4.5
52 HIS HN 52 HIS HB3 4.5
52 HIS HA 55 ASN QB 4.5 #dfe0513
52 HIS HA 62 PRO HA 5.5 # dfe0601
52 HIS HA 62 PRO QB 5.5 # dfe0601
52 HIS HA 56 CYSZ HN 5.5 # dfe0609
52 HIS HB2 53 ASP- HN 4.5 # dfe0609
52 HIS HB3 53 ASP- HN 5.5 # dfe0609
52 HIS HE1 77 VAL QG1 5.5 #dfe0625
52 HIS HE1 77 VAL QG2 3.5 #dfe0625
52 HIS HN 53 ASP- HN 2.7 #dfe0625
52 HIS HA 62 PRO QG 5.5 #dfe0630
52 HIS HD2 62 PRO QG 5.5 #dfe0630
52 HIS HE1 62 PRO QG 5.5 #dfe0630
52 HIS HA 56 CYSZ HA 5.5 #dfe0701
52 HIS HE1 83 ARG+ QD 5.5 #dfe0701
52 HIS HD2 62 PRO HB2 4.5 #dfe0701
52 HIS HD2 62 PRO HB3 4.5 #dfe0701
52 HIS HE1 62 PRO QB 5.5 #dfe0701
52 HIS HA 55 ASN HN 3.5 #dfe0702
52 HIS HB3 55 ASN HD21 4.5 #dfe0702
52 HIS HB3 55 ASN HD22 5.5 #dfe0702
52 HIS HD2 55 ASN HD21 4.5 #dfe0702
52 HIS HD2 55 ASN HD22 5.5 #dfe0702
52 HIS HB2 55 ASN HN 5.5 #dfe0702
52 HIS HB3 55 ASN HN 5.5 #dfe0702
52 HIS HA 53 ASP- HN 4.5 #dfe0706
52 HIS HA 56 CYSZ QB 5.5 #dfe0711
53 ASP- HA 53 ASP- HB2 2.7 # dfe0609 stereo t-180
53 ASP- HN 53 ASP- HB3 2.7 #dfe0609
53 ASP- HN 53 ASP- HB2 2.7 #dfe0609
53 ASP- HA 53 ASP- HB3 4.5 #dfe0609
53 ASP- HN 54 LEU HN 2.7  #  nnoe KD
53 ASP- HA 54 LEU HN 5.5 # dfe0609
53 ASP- HB2 54 LEU HN 4.5 # dfe0609
53 ASP- HB3 54 LEU HN 4.5 #dfe0702
53 ASP- HB3 55 ASN HN 5.5 #dfe0702
53 ASP- HA 56 CYSZ HN 3.5 #dfe0702
53 ASP- HN 54 LEU HG 5.5 #dfe0706
53 ASP- HA 57 SER HN 5.5 #dfe0707
54 LEU HA 54 LEU HB3 2.7 # dfe0609 stereo g-60
54 LEU HN 54 LEU HB2 2.7 # dfe0609
54 LEU HN 55 ASN HN 2.7  #  nnoe KD
54 LEU HA 55 ASN HN 4.5 # dfe0609
54 LEU QB 55 ASN HN 4.5 # dfe0609
54 LEU QQD 55 ASN HN 5.5 # dfe0609
54 LEU HA 55 ASN HA 5.5 #dfe0623
54 LEU HA 58 TYR QE 4.5 #dfe0623
54 LEU QB 58 TYR QE 5.5 #dfe0623
54 LEU HB3 56 CYSZ HN 5.5 #dfe0702
54 LEU HB2 56 CYSZ HN 5.5 #dfe0702
54 LEU QQD 55 ASN HD21 5.5 #dfe0702
54 LEU QQD 55 ASN HD22 5.5 #dfe0702
54 LEU HB3 55 ASN HD21 4.5 #dfe0702
54 LEU HB3 55 ASN HD22 5.5 #dfe0702
54 LEU HB2 55 ASN HD22 5.5 #dfe0702
54 LEU HA 57 SER HN 3.5 #dfe0702
54 LEU HA 56 CYSZ HN 5.5 #dfe0702
54 LEU HN 56 CYSZ HN 4.5 #dfe0703
54 LEU QQD 53 ASP- HN 5.5 #dfe0706
54 LEU HN 55 ASN HB3 5.5 #dfe0706
54 LEU QQD 57 SER HN 4.5 #dfe0707
55 ASN HA 55 ASN HB2 2.7 # dfe0609 stereo g+60
55 ASN HA 55 ASN HB3 2.7 # dfe0609
55 ASN HN 55 ASN HB3 2.7 # dfe0609
55 ASN HN 55 ASN HB2 4.5
55 ASN HN 56 CYSZ HN 2.7  #  nnoe KD
55 ASN HB3 60 ILE QG2 5.5     #  dfe0509
55 ASN HB2 60 ILE QG2 4.5 #dfe0702
55 ASN HB2 60 ILE HB 4.5 #  dfe0511
55 ASN HB3 60 ILE HB 5.5 # dfe0609
55 ASN HA 60 ILE QG2 5.5     #  dfe0509
55 ASN HA 60 ILE HB 4.5 #  dfe0511
55 ASN HA 60 ILE QG1 5.5 #  dfe0511
55 ASN HA 60 ILE QD1 5.5 #  dfe0511
55 ASN HA 58 TYR HB2 4.5 #dfe0608 
55 ASN HA 58 TYR HB3 5.5 #dfe0608 
55 ASN HB3 60 ILE QD1 5.5 # dfe0609
55 ASN HB3 60 ILE QG2 5.5 # dfe0609
55 ASN HB2 60 ILE QD1 4.5 # dfe0609
55 ASN HA 62 PRO HA 5.5 # dfe0601
55 ASN QB 62 PRO HA 4.5 # dfe0601
55 ASN HB3 62 PRO QB 5.5 # dfe0601
55 ASN HB2 56 CYSZ HA 4.5 # dfe0609
55 ASN HB3 56 CYSZ HA 5.5 # dfe0609
55 ASN QB 56 CYSZ HN 4.5 # dfe0609
55 ASN HA 58 TYR QD 4.5 # dfe0609
55 ASN HA 58 TYR QE 5.5 # dfe0609
55 ASN HB3 62 PRO QG 5.5 #dfe0630
55 ASN HB2 62 PRO QG 5.5 #dfe0630
55 ASN HA 56 CYSZ HN 4.5 #dfe0701
55 ASN HA 58 TYR HA 5.5 #dfe0702
55 ASN HA 57 SER HN 5.5 #dfe0702
55 ASN HB2 60 ILE HN 3.5 #dfe0706
55 ASN HB3 60 ILE HN 4.5 #dfe0706
55 ASN HA 60 ILE HN 4.5 #dfe0706
55 ASN HN 60 ILE QG2 5.5 #dfe0706
55 ASN HA 59 ASN HN 5.5 #dfe0706
56 CYSZ HA 56 CYSZ HB3 2.7 # dfe0609 stereo g-60
56 CYSZ HN 56 CYSZ HB2 2.7 # dfe0609 
56 CYSZ HN 57 SER HN 2.7  #  nnoe KD
56 CYSZ HA 73 LEU QD1 5.5 #dfe0625
56 CYSZ HA 73 LEU QD1 4.5 # dfe0523
56 CYSZ HB2 73 LEU QD1 4.5 # dfe0523
56 CYSZ HB3 73 LEU QD1 4.5 #dfe0625
56 CYSZ HB2 73 LEU QD1 5.5 #dfe0701
56 CYSZ HB3 73 LEU QD1 5.5 #dfe0701
56 CYSZ HB3 57 SER HA 4.5 # dfe0609
56 CYSZ HB2 57 SER HA 5.5 #dfe0701
56 CYSZ HB2 57 SER HB2 4.5 #dfe0701
56 CYSZ HB2 57 SER HB3 4.5 #dfe0701
56 CYSZ HB3 57 SER HB2 5.5 #dfe0701
56 CYSZ HB3 57 SER HB3 5.5 #dfe0701
56 CYSZ HN 57 SER HN 4.5 # dfe0609
56 CYSZ HB2 57 SER HN 4.5 # dfe0609
56 CYSZ HB3 57 SER HN 5.5 #dfe0701
56 CYSZ HN 73 LEU QD1 5.5 #dfe0701
56 CYSZ HN 57 SER HB2 4.5 #dfe0703
56 CYSZ HN 57 SER HB3 4.5 #dfe0703
56 CYSZ HN 57 SER HA 5.5 #dfe0703
57 SER HA 57 SER HB2 2.7 # dfe0609 stereo t-180
57 SER HA 57 SER HB3 4.5
57 SER HN 57 SER HB2 2.7 # dfe0609
57 SER HN 57 SER HB3 2.7
57 SER HN 58 TYR HN 3.5     #  nnoe KD
57 SER HA 58 TYR HN 4.5 # dfe0609
57 SER HB2 58 TYR QE 4.5 #dfe0701
57 SER HB2 58 TYR QD 5.5 #dfe0701
57 SER HB3 58 TYR QE 4.5 #dfe0701
57 SER HB2 58 TYR QD 5.5 #dfe0701
57 SER HA 59 ASN HN 5.5 #dfe0706
57 SER HB2 59 ASN HN 5.5 #dfe0706
57 SER HB3 59 ASN HN 5.5 #dfe0706
58 TYR HA 58 TYR HB3 2.7 # dfe0609 stereo g-60
58 TYR HA 58 TYR HB2 3.5 # dfe0609
58 TYR HN 58 TYR HB2 2.7 # dfe0609
58 TYR HN 58 TYR HB3 3.5 # dfe0609
58 TYR HB2 60 ILE QG2 5.5 # dfe0609
58 TYR HB3 60 ILE QG2 5.5 #dfe0701
58 TYR HB2 60 ILE QG1 5.5 # dfe0609
58 TYR HB3 60 ILE QG1 5.5 #dfe0701
58 TYR HB2 60 ILE QD1 4.5 # dfe0609
58 TYR HB3 60 ILE QD1 4.5 #dfe0701
58 TYR HN 59 ASN HN 4.5 #dfe0608
58 TYR HA 59 ASN HN 5.5 #dfe0608 
58 TYR HB3 60 ILE HB 5.5 # dfe0609
58 TYR HB2 60 ILE HB 5.5 #dfe0701
58 TYR HN 60 ILE HB 5.5 # dfe0609
58 TYR HN 59 ASN HA 4.5 # dfe0609
58 TYR QE 60 ILE QD1 5.5 #dfe0701
58 TYR QD 60 ILE QD1 4.5 #dfe0701
58 TYR HA 60 ILE QD1 5.5 #dfe0702
58 TYR HA 59 ASN HD21 4.5 #dfe0702
58 TYR HA 59 ASN HD22 4.5 #dfe0702
58 TYR HN 60 ILE QD1 5.5 #dfe0706
58 TYR HB3 60 ILE HN 4.5 #dfe0706
58 TYR HB2 59 ASN HN 5.5 #dfe0706
59 ASN HA 59 ASN HB3 2.7 #dfe0608 stereo g-60 
59 ASN HA 59 ASN HB2 4.5
59 ASN HN 59 ASN HB3 4.5
59 ASN HN 59 ASN HB2 3.5 #dfe0608
59 ASN HN 60 ILE HB 4.5 #dfe0608
59 ASN HN 73 LEU QD1 4.5 #dfe0608
59 ASN HN 73 LEU QD1 4.5 #dfe0630
59 ASN QB 70 SER HA 5.5 #  dfe0517
59 ASN QB 70 SER QB 5.5 #  dfe0517
59 ASN HN 60 ILE HN 4.5 #dfe0608
59 ASN HA 60 ILE HN 3.5 #dfe0608
59 ASN HB2 73 LEU QD1 4.5 #dfe0608
59 ASN HB2 73 LEU QD1 4.5 #dfe0608
59 ASN HB3 73 LEU QD1 4.5 #dfe0608
59 ASN HB3 73 LEU QD1 4.5 #dfe0608
59 ASN HA 73 LEU QD1 5.5 #dfe0608
59 ASN HA 73 LEU QD1 5.5 #dfe0630
59 ASN QB 68 LEU HB2 5.5 #dfe0608
59 ASN HB2 68 LEU QD1 5.5 #dfe0625
59 ASN HB2 68 LEU QD2 5.5 #dfe0625
59 ASN HB3 68 LEU QD2 5.5 #dfe0625
59 ASN HD21 70 SER QB 3.5 #dfe0702
59 ASN HD22 70 SER QB 4.5 #dfe0702
59 ASN HB2 69 THR HN 5.5 #dfe0703
59 ASN HB3 69 THR HN 5.5 #dfe0703
59 ASN HB2 72 GLY HN 5.5 #dfe0703
59 ASN HB3 72 GLY HN 5.5 #dfe0703
59 ASN HA 73 LEU HN 5.5 #dfe0703
59 ASN HB2 60 ILE HN 4.5 #dfe0706
59 ASN HB3 60 ILE HN 4.5 #dfe0706
60 ILE HA 60 ILE HB 3.5 #dfe0608 stereo g-60
60 ILE HA 60 ILE QG2 2.7 #dfe0608
60 ILE HN 60 ILE HB 2.7 #dfe0608
60 ILE HN 60 ILE QG2 4.5 #dfe0608
60 ILE QG2 65 ALA QB 3.5     #  dfe0509
60 ILE QG2 66 SER HA  5.5 #  dfe0511
60 ILE QG2 65 ALA HA 3.5 #  dfe0511
60 ILE QG2 67 ARG+ HN 5.5 #dfe0607
60 ILE HA 61 CYS- HN 2.7 #dfe0608
60 ILE QD1 61 CYS- HN 5.5 #dfe0608
60 ILE QG2 67 ARG+ QD 4.5 #dfe0623
60 ILE QG2 67 ARG+ QB 5.5 #dfe0623
60 ILE QG2 61 CYS- QB 5.5 #dfe0623
60 ILE QG2 61 CYS- HA 5.5 #dfe0623
60 ILE QG2 62 PRO HA 4.5 #dfe0623
60 ILE HA 68 LEU QD2 5.5 #dfe0701
60 ILE QD1 67 ARG+ QD 4.5 #dfe0701
60 ILE QG1 61 CYS- HN 4.5 #dfe0703
60 ILE HB 67 ARG+ HN 4.5 #dfe0706
60 ILE HN 73 LEU QQD 4.5 #dfe0706
60 ILE HN 73 LEU HB2 5.5 #dfe0706
60 ILE HA 66 SER HN 4.5 #dfe0706
61 CYS- HA 61 CYS- HB2 2.7 #dfe0608 stereo t-180
61 CYS- HA 61 CYS- HB3 3.5 #dfe0608
61 CYS- HN 61 CYS- QB 2.7 #dfe0608
61 CYS- HN 68 LEU QD1 3.5 #dfe0608
61 CYS- HN 68 LEU QD2 5.5 #dfe0608
61 CYS- HN 77 VAL QG2 4.5 #dfe0608
61 CYS- HN 66 SER HB2 4.5 #dfe0608
61 CYS- HN 66 SER HB3 4.5 #dfe0703
61 CYS- HA  68 LEU QD1 5.5 #  dfe0511
61 CYS- HA 68 LEU QD2 5.5 #dfe0625
61 CYS- HB2 68 LEU QD1 4.5 #dfe0625
61 CYS- HB2 68 LEU QD2 4.5 #dfe0625
61 CYS- HB3 68 LEU QD1 4.5 #dfe0625
61 CYS- HB3 68 LEU QD2 4.5 #dfe0625
61 CYS- HA 73 LEU QD1 5.5 # dfe0523
61 CYS- HA 73 LEU QD1 5.5 #dfe0625
61 CYS- QB 76 HIS HD2 4.5 #  dfe0511
61 CYS- HB2 77 VAL QG2 4.5 #dfe0604
61 CYS- HB2 77 VAL HA 5.5 #dfe0604
61 CYS- HA 77 VAL QG2 4.5 #dfe0604 
61 CYS- HA 77 VAL QG1 5.5 #dfe0604 
61 CYS- HB3 66 SER HN 3.5 #dfe0607
61 CYS- HB2 66 SER HN 4.5 #dfe0607
61 CYS- HB3 65 ALA HA 4.5 #dfe0607
61 CYS- HB2 65 ALA HA 5.5 #dfe0607
61 CYS- HB3 65 ALA HN 3.5 #dfe0607
61 CYS- HB2 65 ALA HN 4.5 #dfe0607
61 CYS- HB3 64 CYS- HN 4.5 #dfe0608 
61 CYS- HB2 64 CYS- HN 5.5 #dfe0608 
61 CYS- HN 63 TYR HN 5.5 #dfe0608 
61 CYS- HB3 63 TYR HN 4.5 #dfe0608 
61 CYS- HB2 63 TYR HN 5.5 #dfe0608 
61 CYS- HB3 62 PRO QD 4.5 #dfe0608
61 CYS- HB2 62 PRO QD 5.5 #dfe0608
61 CYS- HA 76 HIS HD2 5.5 #dfe0608
61 CYS- HN 66 SER HA 4.5 #dfe0703
61 CYS- HN 65 ALA HA 4.5 #dfe0703
61 CYS- HN 67 ARG+ HB3 5.5 #dfe0703
61 CYS- HN 62 PRO QD 4.5 #dfe0703
61 CYS- HA 65 ALA HN 4.5 #dfe0706
61 CYS- HN 66 SER HN 5.5 #dfe0706
61 CYS- HA 62 PRO QD 2.7 #dfe0802 trans
62 PRO QB 63 TYR HN 5.5 #dfe0608 trans 
62 PRO QD 77 VAL QG2 4.5 #dfe0608
62 PRO QD 77 VAL QG1 5.5 #dfe0608
62 PRO QD 63 TYR QD 5.5 #dfe0608
62 PRO QG 63 TYR QE 5.5 #dfe0630
62 PRO QG 63 TYR QD 5.5 #dfe0630
62 PRO QD 73 LEU QD1 5.5 #dfe0630
62 PRO QD 73 LEU QD1 4.5 #dfe0630
62 PRO HB2 63 TYR QD 4.5 #dfe0701
62 PRO HB3 63 TYR QD 4.5 #dfe0701
63 TYR HA 63 TYR HB3 2.7 #dfe0608 stereo g-60
63 TYR HA 63 TYR HB2 3.5 #dfe0608 
63 TYR HN 63 TYR HB3 3.5 #dfe0608 
63 TYR HN 63 TYR HB2 2.7 #dfe0608 
63 TYR QD 86 LYS+ QD 5.5 #  dfe0520
63 TYR QD 86 LYS+ QD 5.5 #  dfe0520
63 TYR QD 86 LYS+ QG 4.5 #dfe0526
63 TYR QE 86 LYS+ QG 5.5 #dfe0526
63 TYR QD 83 ARG+ HA 4.5 #dfe0526
63 TYR QE 83 ARG+ HA 5.5 #dfe0526
63 TYR QD 83 ARG+ HB2 5.5 #dfe0526
63 TYR QD 83 ARG+ HB3 4.5 #dfe0615
63 TYR QE 83 ARG+ HB3 5.5 #dfe0526
63 TYR HN 65 ALA HN 4.5 #dfe0607
63 TYR HA 64 CYS- HN 5.5 #dfe0608 
63 TYR HN 64 CYS- HN 2.7 #dfe0608 
63 TYR QB 82 LYS+ HN 5.5 #dfe0615
63 TYR HB3 83 ARG+ HN 4.5 #dfe0615
63 TYR HB2 83 ARG+ HN 5.5 #dfe0615
63 TYR QE 83 ARG+ HB2 5.5 #dfe0625
63 TYR QE 83 ARG+ HB3 5.5 #dfe0625
63 TYR QD 83 ARG+ HB2 3.5 #dfe0616
63 TYR QD 83 ARG+ HB3 3.5 #dfe0625
63 TYR QD 86 LYS+ HA 5.5 #dfe0616
63 TYR QD 86 LYS+ QE 4.5 #dfe0623
63 TYR QE 77 VAL QG1 3.5 #dfe0608
63 TYR QE 77 VAL QG2 5.5 #dfe0608
63 TYR QD 77 VAL QG1 4.5 #dfe0608
63 TYR QE 87 VAL QG1 5.5 #dfe0630 
63 TYR QD 87 VAL QG2 5.5 #dfe0630 
63 TYR QE 83 ARG+ QD 4.5 #dfe0630 
63 TYR QD 83 ARG+ QD 4.5 #dfe0630
63 TYR QE 86 LYS+ QE 5.5 #dfe0630   
64 CYS- HA 64 CYS- QB 2.7 #dfe0608 stereo g+60
64 CYS- HN 64 CYS- HB3 2.7 #dfe0608 
64 CYS- HN 64 CYS- HB2 4.5 #dfe0608 
64 CYS- HN 66 SER HN 5.5 #dfe0608 
64 CYS- HN 65 ALA HN 2.7 #dfe0607
64 CYS- HN 63 TYR QD 4.5 #dfe0608 
64 CYS- HN 65 ALA HA 5.5 #dfe0608 
64 CYS- HB3 65 ALA HN 4.5 #dfe0607
64 CYS- HB2 65 ALA HN 4.5 #dfe0706
64 CYS- HN 65 ALA QB 5.5 #dfe0608 
64 CYS- HA 82 LYS+ QE 5.5 #dfe0615
64 CYS- HA 82 LYS+ HB2 4.5 #dfe0615
64 CYS- HA 82 LYS+ HB3 4.5 #dfe0702
64 CYS- HA 82 LYS+ QG 3.5 #dfe0615
64 CYS- QB 82 LYS+ QG 4.5 #dfe0615
64 CYS- QB 82 LYS+ HA 5.5 #dfe0615
64 CYS- HA 82 LYS+ QD 4.5 #dfe0615
64 CYS- HB3 82 LYS+ QD 5.5 #dfe0615
64 CYS- HA 65 ALA HN 4.5 #dfe0706
64 CYS- HN 82 LYS+ QB 4.5 #dfe0706
64 CYS- HN 68 LEU QD1 5.5 #dfe0706
65 ALA QB 66 SER HA 4.5 #dfe0607
65 ALA HN 66 SER HN 3.5 #dfe0607
65 ALA HA 66 SER HN 4.5 #dfe0607
65 ALA QB 66 SER HN 5.5 #dfe0607
65 ALA HN 66 SER HN 2.7 #dfe0607
65 ALA HN 68 LEU QD1 5.5 #dfe0607
65 ALA HA 67 ARG+ HN 5.5 #dfe0703
66 SER HA 66 SER HB3 4.5  #dfe0607 stereo t-180
66 SER HA 66 SER HB2 2.7
66 SER HN 66 SER HB3 2.7 #dfe0607
66 SER HN 66 SER HB2 3.5 #dfe0607
66 SER HN 67 ARG+ HN 4.5 #dfe0607
66 SER HN 68 LEU QD1 4.5 #dfe0607
66 SER HN 68 LEU QD2 5.5 #dfe0607
66 SER QB 68 LEU HG 4.5 #dfe0607
66 SER HA 68 LEU QD1 5.5 # dfe0506
66 SER HA 68 LEU QD2 4.5 #dfe0607
66 SER QB 68 LEU QD2 4.5 # dfe0506
66 SER QB 68 LEU QD1 5.5 #dfe0607
66 SER HN 67 ARG+ HN 2.7 #dfe0607
66 SER HA 67 ARG+ HN 3.7 #dfe0607
66 SER HB2 67 ARG+ HN 4.5 #dfe0607
66 SER HB3 67 ARG+ HN 4.5 #dfe0703
67 ARG+ HA 67 ARG+ HB3 2.7 #dfe0607 stereo g+60
67 ARG+ HA 67 ARG+ HB2 2.7
67 ARG+ HN 67 ARG+ HB3 2.7 #dfe0607
67 ARG+ HN 67 ARG+ HB2 4.5 #dfe0607
67 ARG+ HN 68 LEU QD2 5.5 #dfe0607
67 ARG+ HA 68 LEU QD2 4.5 #dfe0607
67 ARG+ HN 68 LEU HN 5.5 #dfe0607
67 ARG+ HA      68 LEU HN 2.7
67 ARG+ HN 68 LEU HN 2.7
68 LEU HA 68 LEU HB3 2.7 #dfe0607 stereo g-60
68 LEU HA 68 LEU HB2 4.5 #dfe0607
68 LEU HA 68 LEU QD2 3.5 #dfe0607
68 LEU HA 68 LEU QD1 4.5 #dfe0607
68 LEU HN 68 LEU HB2 2.7 #dfe0607
68 LEU HN 68 LEU HB3 4.5 #dfe0607
68 LEU HN 68 LEU HA 3.5 #dfe0607
68 LEU QD1 76 HIS HA 4.5 # dfe0506
68 LEU QD1 76 HIS HB2 4.5 #dfe0625
68 LEU QD1 76 HIS HB3 4.5 #dfe0625
68 LEU QD2 76 HIS HB2 5.5 #dfe0625
68 LEU QD2 76 HIS HB3 5.5 #dfe0625
68 LEU HA 69 THR QG2 4.5 # dfe0514
68 LEU QD1 72 GLY QA 5.5 # dfe0517
68 LEU QD2 72 GLY QA 4.5 #dfe0625
68 LEU HB2 72 GLY QA 5.5 # dfe0517
68 LEU HB3 72 GLY QA 4.5 #dfe0607 
68 LEU QD1 73 LEU HA 4.5 #dfe0625
68 LEU QD2 73 LEU HA 5.5 #dfe0625
68 LEU QD1 73 LEU QD1 4.5 #dfe0625
68 LEU QD2 73 LEU QD1 5.5 #dfe0625
68 LEU QD1 73 LEU QD1 4.5 #dfe0625
68 LEU QD2 73 LEU QD1 5.5 #dfe0625
68 LEU QD1  73 LEU HB2 4.5 # dfe0523
68 LEU QD1 73 LEU HB3 4.5 #dfe0625
68 LEU QD2 73 LEU HB2 5.5 #dfe0625
68 LEU QB 73 LEU HA 5.5 # dfe0514
68 LEU HG 73 LEU HA 4.5 # dfe0514
68 LEU QD2 77 VAL HA 5.5 #dfe0604
68 LEU QD1 77 VAL HA 4.5 #dfe0625
68 LEU QD1 77 VAL QG1 5.5 #dfe0625
68 LEU QD1 77 VAL QG2 5.5 #dfe0625
68 LEU QD2 77 VAL QG1 5.5 #dfe0625
68 LEU QD2 77 VAL QG2 5.5 #dfe0625
68 LEU QD1 76 HIS HN 4.5 #dfe0604
68 LEU QD2 76 HIS HN 5.5 #dfe0625
68 LEU QD1 73 LEU HN 5.5 #dfe0607 
68 LEU QD1 72 GLY HN 5.5 #dfe0607 
68 LEU QD2 72 GLY HN 5.5 #dfe0703
68 LEU HA 69 THR HN 2.7 #dfe0607 
68 LEU HB3 69 THR HN 4.5 #dfe0607 
68 LEU HB2 69 THR HN 5.5 #dfe0607 
68 LEU QD1 69 THR HN 5.5 #dfe0607 
68 LEU QD2 69 THR HN 5.5 #dfe0607 
68 LEU QD1 77 VAL HN 5.5 #dfe0604
68 LEU HA 72 GLY QA 5.5 #dfe0707
68 LEU HA 73 LEU QB 5.5 #dfe0707
68 LEU QB 69 THR HA 5.5
68 LEU QB 69 THR QG2 5.5
68 LEU HN 69 THR HN 4.5
69 THR HA 69 THR HB 2.7 #dfe0607 
69 THR HA 69 THR QG2 2.7
69 THR HN 69 THR QG2 2.7 #dfe0607  stereo g+60
69 THR HN 69 THR HB 4.5
69 THR HB 70 SER HA 4.5 #dfe0517
69 THR HA 70 SER HN 3.5 #dfe0607 
69 THR QG2 72 GLY HN 4.5 #dfe0703
69 THR HN 72 GLY QA 3.5 #dfe0707
70 SER HN 70 SER HB3 2.7 #dfe0607  stereo g+60
70 SER HA 70 SER HB2 2.7 #dfe0722
70 SER HA 70 SER HB3 2.7 #dfe0722
70 SER HN 70 SER HB2 4.5
70 SER QB 71 ASP- QB 5.5 #  dfe0517
70 SER QB 71 ASP- HA 5.5 #  dfe0517 
70 SER QB 73 LEU QB 5.5  # dfe0523
70 SER HA 73 LEU QD1 4.5 # dfe0523
70 SER HB2 73 LEU QD1 5.5 # dfe0523
71 ASP- HN 71 ASP- HB3 2.7 #dfe0607 wants to be t-180
71 ASP- HA 71 ASP- HB2 2.7
71 ASP- HA 71 ASP- HB3 3.5
71 ASP- HN 71 ASP- HB2 2.7
71 ASP- HN 72 GLY HN 5.5 #dfe0607 
71 ASP- HN 72 GLY QA 5.5 #dfe0607 
71 ASP- HA 74 ALA QB 4.5 #dfe0526
71 ASP- QB 74 ALA QB 5.5 #dfe0526
71 ASP- QB 72 GLY HN 3.5 #dfe0607
71 ASP- HB3 72 GLY HN 3.5 #dfe0703 
71 ASP- HA 72 GLY HN 4.5 #dfe0607 
71 ASP- HA 73 LEU HN 4.5 #dfe0703
71 ASP- QB 73 LEU HN 5.5 #dfe0703
72 GLY HN 73 LEU HN 5.5 #dfe0607 
72 GLY QA 73 LEU HN 5.5 #dfe0607 
72 GLY HN 73 LEU HA 5.5 #dfe0607 
72 GLY HN 73 LEU HB3 3.5 #dfe0703
72 GLY HN 73 LEU HB2 4.5 #dfe0703
72 GLY HN 73 LEU QD1 5.5 #dfe0703
72 GLY HN 73 LEU QD1 5.5 #dfe0703
72 GLY QA 74 ALA HN 4.5 #dfe0706
72 GLY QA 75 ARG+ HN 4.5 #dfe0706
73 LEU HA 73 LEU HB2 2.7 #dfe0607  wants to be t-180
73 LEU HA 73 LEU HB3 4.5
73 LEU HN 73 LEU HB2 2.7
73 LEU HN 73 LEU HB3 2.7
73 LEU HN 74 ALA HA 5.5 #dfe0607 
73 LEU QB 74 ALA HA 5.5 # dfe0523
73 LEU QB 74 ALA QB 5.5 # dfe0523
73 LEU QD1 74 ALA HA 4.5 # dfe0523
73 LEU HA 76 HIS QB 5.5 # dfe0517
73 LEU QD1 77 VAL QG2 5.5 #dfe0531
73 LEU HA 77 VAL QG2 5.5 #dfe0531
73 LEU HN 74 ALA HN 5.5 #dfe0607 
73 LEU HB2 74 ALA HN 4.5 #dfe0607 
73 LEU HB3 74 ALA HN 5.5 #dfe0607 
73 LEU QD1 74 ALA HN 5.5 #dfe0607 
73 LEU QD1 74 ALA HN 5.5 #dfe0608
73 LEU QD1 77 VAL HA 5.5 #dfe0625
73 LEU HB2 77 VAL HN 5.5 #dfe0706
73 LEU QD1 77 VAL HN 4.5 #dfe0706
73 LEU HA 77 VAL HN 3.5 #dfe0706
73 LEU HN 77 VAL HN 5.5 #dfe0706
73 LEU QD1 76 HIS HN 5.5 #dfe0706
73 LEU QD1 76 HIS HN 5.5 #dfe0706
73 LEU HA 76 HIS HN 3.5 #dfe0706
74 ALA HN       74 ALA QB       2.7     #  nnoe KD
74 ALA HN       75 ARG+ HN      2.7  #  nnoe KD
74 ALA QB       75 ARG+ HN      2.7  #  nnoe KD
74 ALA HA 77 VAL HN 3.5 #dfe0604
74 ALA HA 75 ARG+ HN 5.5 #dfe0607 
74 ALA QB 75 ARG+ HN 4.5 #dfe0607 
75 ARG+ HN 75 ARG+ HB2 2.7 #dfe0607 stereo g-60
75 ARG+ HN 75 ARG+ HB3 4.5     #dfe0607  
75 ARG+ HA 75 ARG+ HB3 2.7 
75 ARG+ HA 75 ARG+ HB2 4.5
75 ARG+ HN 76 HIS QB 4.5 #dfe0607 
75 ARG+ HN      76 HIS HN       2.7  #  nnoe KD
75 ARG+ QB 76 HIS HN 4.5 #dfe0604
75 ARG+ QG 78 THR HB 5.5 #dfe0708
75 ARG+ QB 78 THR HB 4.5 #dfe0708
76 HIS HA 76 HIS HB2 2.7 #dfe0604 stereo t-180
76 HIS HA 76 HIS HB3 3.5 #dfe0604
76 HIS HN 76 HIS QB 2.7
76 HIS HN 76 HIS HA 3.5
76 HIS HN       77 VAL HN 2.7  #  nnoe KD
76 HIS HD2 80 CYSZ HA 5.5 # dfe0514
76 HIS HD2 80 CYSZ QB 5.5 # dfe0516
76 HIS HE1 80 CYSZ HA 3.5 #dfe0603
76 HIS HE1 80 CYSZ QB 5.5 #dfe0603
76 HIS HE1 80 CYSZ HN 5.5 #dfe0603
76 HIS HE1 81 PRO QG 5.5 #  dfe0517
76 HIS HE1 81 PRO QD 4.5 #  dfe0517
76 HIS HD2 77 VAL HA 3.5 #dfe0531
76 HIS HD2 77 VAL HB 5.5 #dfe0604
76 HIS HD2 77 VAL HN 5.5 #dfe0604
76 HIS HB3 77 VAL HN 4.5 #dfe0604
76 HIS HB2 77 VAL HN 5.5 #dfe0625
76 HIS HB2 77 VAL QG2 5.5 #dfe0608
76 HIS HB3 77 VAL QG2 5.5 #dfe0608
76 HIS HB3 77 VAL QG1 5.5 #dfe0608
76 HIS HA 77 VAL QG2 5.5 #dfe0608
76 HIS HD2 77 VAL QG1 4.5 #dfe0608
76 HIS HD2 77 VAL QG2 4.5 #dfe0608
76 HIS HA 79 GLN HG2 5.5 #dfe0608
76 HIS HA 79 GLN HG3 4.5 #dfe0608
76 HIS HA 79 GLN HB2 5.5 #dfe0608
76 HIS HD2 68 LEU QD2 4.5 #dfe0701
76 HIS HE1 68 LEU QD2 5.5 #dfe0701
76 HIS HB2 79 GLN HN 5.5 #dfe0702
76 HIS HB2 80 CYSZ HN 5.5 #dfe0703
76 HIS HN 77 VAL HB 5.5 #dfe0706
76 HIS HN 77 VAL QG2 4.5 #dfe0707
77 VAL HA 77 VAL HB 3.5 #dfe0604 stereo t-180
77 VAL HA 77 VAL QG2 3.5 #dfe0604
77 VAL HA 77 VAL QG1 3.5 #dfe0604
77 VAL HN  77 VAL QG2 2.7 #dfe0604
77 VAL HN 77 VAL QG1 4.5 #dfe0604
77 VAL HN 77 VAL HA 3.5 #dfe0604
77 VAL HN 78 THR HA 5.5 #dfe0604
77 VAL QG1 83 ARG+ HA 5.5 #dfe0526
77 VAL HN 78 THR HN 2.7  #  nnoe KD
77 VAL HA 80 CYSZ QB 4.5
77 VAL HA 80 CYSZ HA 5.5
77 VAL HA 83 ARG+ HB3 5.5 #dfe0531
77 VAL HA 83 ARG+ QG 5.5 #dfe0625
77 VAL HA 83 ARG+ QD 5.5 #dfe0531
77 VAL QG2 80 CYSZ QB 5.5 #dfe0531
77 VAL QG1 80 CYSZ QB 5.5 #dfe0531
77 VAL QG2 83 ARG+ QD 5.5
77 VAL QG1 83 ARG+ QD 4.5
77 VAL QG1 78 THR HA 5.5 #dfe0531
77 VAL HA 80 CYSZ HN 3.5 #dfe0603
77 VAL HA 79 GLN HN 5.5 #dfe0603
77 VAL HA 78 THR HN 5.5 #dfe0604
77 VAL HB 78 THR HN 4.5 #dfe0604
77 VAL QQG 78 THR HN 5.5 #dfe0604
77 VAL QG1 78 THR QG2 5.5 #dfe0625
77 VAL QG1 80 CYSZ HN 5.5 #dfe0703
77 VAL QG2 80 CYSZ HN 5.5 #dfe0703
78 THR HA  78 THR QG2 2.7 #dfe0604 stereo g-60
78 THR HA 78 THR HB 4.5 #dfe0604
78 THR HN 78 THR HB 2.7 #dfe0604
78 THR HN 78 THR QG2 4.5 #dfe0604
78 THR HN 79 GLN HN 2.7  #  nnoe KD
78 THR HA  79 GLN HG3 5.5 # dfe0426
78 THR HA 79 GLN HG2 5.5 # dfe0426
78 THR HB 79 GLN HG2 4.5 # dfe0426
78 THR HB  79 GLN HG3 4.5 # dfe0426
78 THR QG2 79 GLN HG2 3.5 # dfe0426
78 THR QG2 79 GLN HG3 3.5 # dfe0426
78 THR QG2 79 GLN HA 5.5 #dfe0603
78 THR QG2 79 GLN HN 5.5 #dfe0603
78 THR HB 79 GLN HN 4.5 #dfe0603
78 THR HA 79 GLN HN 5.5 #dfe0603
78 THR HN 79 GLN HA 5.5 #dfe0707
78 THR HN 79 GLN QG 5.5 #dfe0707
78 THR HN 79 GLN HB2 4.5 #dfe0707
78 THR HA 79 GLN HA 5.5 #dfe0708
79 GLN HN 80 CYSZ HN 2.7     #  nnoe KD
79 GLN HA 79 GLN HB3 2.7  # dfe0426   stereo g-60
79 GLN HN 79 GLN HB2 2.7
79 GLN HA  79 GLN HG3 3.5 # dfe0426
79 GLN HA  79 GLN HG2 4.5 # dfe0426
79 GLN HA 80 CYSZ HN 4.5 #dfe0603
79 GLN QG 80 CYSZ HN 5.5 #dfe0603
79 GLN QB 80 CYSZ HN 5.5 #dfe0603
79 GLN HN 79 GLN HA 3.5 #dfe0603
79 GLN HN 79 GLN QG 4.5 #dfe0603
79 GLN HN 80 CYSZ QB 5.5 #dfe0603
80 CYSZ HA 80 CYSZ HB2 2.7 #dfe0603 stereo t-180
80 CYSZ HA 80 CYSZ HB3 4.5
80 CYSZ HN 80 CYSZ HB2 2.7
80 CYSZ HN 80 CYSZ HB3 2.7
80 CYSZ HN 81 PRO HA 5.5 #dfe0603 
80 CYSZ HA 81 PRO QD 2.7 #dfe0424
80 CYSZ QB 81 PRO QD 4.5
80 CYSZ HA 82 LYS+ QB  5.5 #dfe0615
80 CYSZ HB3 83 ARG+ QB 4.5 #dfe0625
80 CYSZ HB2 83 ARG+ QB 5.5
80 CYSZ HA 83 ARG+ QB 4.5 #dfe0625
80 CYSZ HN 83 ARG+ HB3 4.5 #dfe0703
80 CYSZ HN 83 ARG+ QG 5.5 #dfe0703
80 CYSZ HA 83 ARG+ HN 4.5 #dfe0703
80 CYSZ QB 83 ARG+ HN 3.5 #dfe0703
81 PRO QB 82 LYS+ HN 3.5 #dfe0615
81 PRO HA 84 LYS+ QB 4.5 #  dfe0517
81 PRO QB 83 ARG+ HN 4.5 #dfe0703
81 PRO QB 82 LYS+ HN 4.5 #dfe0706
81 PRO HA 84 LYS+ QE 4.5 #dfe0706
81 PRO HA 84 LYS+ QG 5.5 #dfe0706
82 LYS+ HA 82 LYS+ HB3 2.7 #dfe0615 stereo g-60
82 LYS+ HA 82 LYS+ HB2 4.5 #dfe0615 stereo g-60
82 LYS+ HN 82 LYS+ HB2 2.7 #dfe0615 stereo g-60
82 LYS+ HN 82 LYS+ HB3 4.5 #dfe0615 stereo g-60
82 LYS+ HN 83 ARG+ HN 3.5  #  nnoe KD
82 LYS+ HA 83 ARG+ HN 3.5 #dfe0615
82 LYS+ HA 85 GLU- HN 4.5 #dfe0616
82 LYS+ QB 85 GLU- HN 4.5 #dfe0616
82 LYS+ QG 83 ARG+ HN 4.5 #dfe0703
82 LYS+ HA 84 LYS+ HN 4.5 #dfe0706
82 LYS+ HN 83 ARG+ QG 5.5 #dfe0706
82 LYS+ HN 83 ARG+ HB2 4.5 #dfe0706
82 LYS+ HN 83 ARG+ HA 5.5 #dfe0706
83 ARG+ HA 83 ARG+ HB2 2.7 #dfe0615 stereo t-180
83 ARG+ HA 83 ARG+ HB3 4.5
83 ARG+ HN 83 ARG+ HB3 2.7 #dfe0615
83 ARG+ HN 83 ARG+ HB2 2.7
83 ARG+ HN 84 LYS+ HN 2.7  #  nnoe KD
83 ARG+ HA 84 LYS+ HN 4.5 #dfe0616
83 ARG+ QG 84 LYS+ HN 5.5 #dfe0616
83 ARG+ HB3 84 LYS+ HN 4.5 #dfe0616
83 ARG+ QG 86 LYS+ HN 5.5 #dfe0625
83 ARG+ HN 84 LYS+ HA 5.5 #dfe0703
83 ARG+ QG 87 VAL HN 5.5 #dfe0706
83 ARG+ QD 84 LYS+ HN 4.5 #dfe0706
84 LYS+ HN 84 LYS+ HB2 2.7 #dfe0616 stereo t-180
84 LYS+ HN 84 LYS+ HB3 2.7
84 LYS+ HA 84 LYS+ HB2 2.7
84 LYS+ HA 84 LYS+ HB3 4.5
84 LYS+ HN 85 GLU- HN 2.7  # nnoe KD
84 LYS+ HN  87 VAL HB 4.5 #dfe0616
84 LYS+ QB 85 GLU- HN 3.5 #dfe0616
84 LYS+ HA 85 GLU- HN 4.5 #dfe0616
84 LYS+ HA 85 GLU- QG 5.5 #dfe0622
84 LYS+ HA 86 LYS+ HN 5.5 #dfe0625
84 LYS+ HN 87 VAL HN 4.5 #dfe0706
84 LYS+ HA 87 VAL QG2 4.5 #dfe0708
85 GLU- HA 85 GLU- HB3 2.7 #dfe0616 stereo g-60
85 GLU- HA 85 GLU- HB2 4.5
85 GLU- HN 85 GLU- HB2 2.7
85 GLU- HN 85 GLU- HB3 4.5
85 GLU- HN 86 LYS+ HN 2.7 #dfe0625
85 GLU- HA 86 LYS+ HN 4.5 #dfe0625
86 LYS+ HA 86 ARG+ HB3 4.5 #dfe0625 stereo t-180
86 LYS+ HN 86 ARG+ HB2 2.7 #dfe0625
86 LYS+ HA 86 ARG+ HB2 2.7 #dfe0722
86 LYS+ HN 86 ARG+ HB3 2.7 #dfe0722
86 LYS+ HN 87 VAL HN 2.7 #dfe0625
86 LYS+ HN 87 VAL QG2 4.5 #dfe0625
86 LYS+ HN 87 VAL QG1 5.5 #dfe0625
86 ARG+ HB3 87 VAL QG2 5.5 #dfe0625
86 LYS+ QE 87 VAL QG1 4.5 #dfe0525
86 LYS+ QE 87 VAL QG2 5.5 #dfe0625
86 LYS+ HA 87 VAL QG2 4.5 #dfe0525
86 LYS+ QG 87 VAL QG1 5.5 #dfe0616
86 LYS+ HA 87 VAL HN 4.5 #dfe0616
86 LYS+ HA 89 GLU- HN 4.5 #dfe0616
86 ARG+ HB3 87 VAL HN 4.5 #dfe0706
86 LYS+ HA 87 VAL HN 5.5 #dfe0706
86 LYS+ QG 89 GLU- HN 4.5 #dfe0706
86 LYS+ HN 89 GLU- QB 4.5 #dfe0706
86 LYS+ QB 87 VAL QG1 5.5 #dfe0708
86 LYS+ QG 87 VAL HA 5.5 #dfe0708
86 LYS+ QB 87 VAL HA 5.5 #dfe0708
87 VAL HA 87 VAL QG1 3.5 #dfe0616 stereo t-180
87 VAL HA 87 VAL QG2 3.5 #dfe0616
87 VAL HN 87 VAL QG2 3.5 #dfe0616
87 VAL HN 88 GLU- HN 2.7  #  nnoe KD
87 VAL QG1 90 THR QG2 5.5 #dfe0525
87 VAL QG1 88 GLU- HN 4.5 #dfe0616
87 VAL HA 88 GLU- HN 4.5 #dfe0616
87 VAL QG1 90 THR HB 5.5 #dfe0616
87 VAL QG1 90 THR HA 5.5 #dfe0616
87 VAL HA 89 GLU- HN 3.5 #dfe0702
87 VAL HN 88 GLU- QG 4.5 #dfe0706
87 VAL QG2 90 THR HN 4.5 #dfe0707
87 VAL QG1 90 THR HN 5.5 #dfe0707
87 VAL HN 90 THR HN 4.5 #dfe0707
87 VAL HA 90 THR QG2 3.5 #dfe0707
87 VAL HA 90 THR HA 4.5 #dfe0707
87 VAL HA 89 GLU- HB2 4.5 #dfe0708
87 VAL HA 89 GLU- HB3 5.5 #dfe0708
88 GLU- HA 88 GLU- HB3 2.7 #dfe0616 stereo g-60
88 GLU- HA 88 GLU- HB2 4.5
88 GLU- HN 88 GLU- HB2 2.7
88 GLU- HN 88 GLU- HB3 4.5
88 GLU- HN 89 GLU- QB 4.5 #dfe0616
88 GLU- HN 89 GLU- HN 2.7  #nnoe KD
88 GLU- QG 89 GLU- HN 4.5 #dfe0706
88 GLU- QG 90 THR HN 5.5 #dfe0707
89 GLU- HA 89 GLU- HB2 2.7 #dfe0630 stereo  t-180
89 GLU- HN 89 GLU- HB3 2.7 #dfe0630
89 GLU- HA 89 GLU- HB3 4.5 #dfe0722
89 GLU- HN 89 GLU- HB2 2.7 #dfe0722
89 GLU- HA 92 LEU  QB 3.5 #dfe0630
89 GLU- HA 92 LEU QD1 4.5 #dfe0630 
89 GLU- HA 92 LEU QD2 4.5 #dfe0630 
89 GLU- HN 90 THR HN 2.7  #nnoe KD
89 GLU- QB 90 THR HN 3.5 #dfe0616
89 GLU- QB 92 LEU HN 4.5 #dfe0702
89 GLU- HN 90 THR QG2 4.5 #dfe0706
89 GLU- HB3 90 THR HA 5.5 #dfe0707
89 GLU- HB2 90 THR HA 5.5 #dfe0707
90 THR HA 90 THR HB 2.7 #dfe0616 stereo g+60
90 THR HA 90 THR QG2 3.5 #dfe0616
90 THR HN 90 THR QG2 2.7 #dfe0616
90 THR HN 91 GLU- HN 2.7  #nnoe KD
90 THR HA 93 TYR HB3 5.5 #dfe0513
90 THR HA 93 TYR HB2 4.5 #dfe0701
90 THR HA 93 TYR QD 4.5
90 THR HB 91 GLU- HN 4.5 #dfe0706
90 THR QG2 91 GLU- HN 4.5 #dfe0706
90 THR QG2 93 TYR HN 5.5 #dfe0706
90 THR HN 91 GLU- QB 4.5 #dfe0707
91 GLU- HA 91 GLU- HB2 4.5 #dfe0616 stereo g-60
91 GLU- HA 91 GLU- HB3 2.7 
91 GLU- HN 91 GLU- HB2 2.7
91 GLU- HN 91 GLU- HB3 4.5
91 GLU- HN 92 LEU HN 2.7 #dfe0625
92 LEU HA 92 LEU HB3 2.7 #dfe0616 stereo g-60
92 LEU HA 92 LEU HB2 4.5
92 LEU HN 92 LEU HB2 2.7
92 LEU HN 92 LEU HB3 4.5
92 LEU HA 95 ASN QB 5.5
92 LEU HA 93 TYR HN 3.5 #dfe0616
92 LEU QB 93 TYR HN 4.5 #dfe0616
92 LEU QQD 93 TYR HN 5.5 #dfe0616
92 LEU HN 93 TYR HN 2.7 #dfe0625
92 LEU HB2 93 TYR QD 5.5 #dfe0630 
92 LEU HB3 93 TYR QD 5.5 #dfe0630 
92 LEU  HA 93 TYR HA 4.5
92 LEU HN 93 TYR HA 4.5
93 TYR HA 93 TYR HB3 2.7 #dfe0616 stereo g+60
93 TYR HA 93 TYR HB2 2.7 #dfe0722
93 TYR HN 93 TYR HB3 2.7 #dfe0722
93 TYR HN 93 TYR HB2 4.5 #dfe0616
93 TYR HA 94 LEU HN 3.5 #dfe0616
93 TYR HB2 94 LEU HN 4.5 #dfe0616
93 TYR HB3 94 LEU HN 5.5 #dfe0616
93 TYR QE 94 LEU HA 5.5 #dfe0701
93 TYR QD 94 LEU HA 5.5 #dfe0701
93 TYR QE 94 LEU QD1 4.5 #dfe0701
93 TYR QE 94 LEU QD2 4.5 #dfe0701
93 TYR QD 94 LEU QD1 5.5 #dfe0701
93 TYR QD 94 LEU QD2 5.5 #dfe0701
93 TYR HN 94 LEU HN 2.7
93 TYR HA 94 LEU HA 5.5
93 TYR HN  94 LEU HA 5.5
93 TYR HN 95 ASN HN 4.5
94 LEU HA 94 LEU HB3 2.7 #dfe0616 stereo g-60
94 LEU HN 94 LEU HB2 2.7 #dfe0616
94 LEU HA 95 ASN HN 3.5 #dfe0616 (3.10)
94 LEU HB3 95 ASN HN 4.5 #dfe0616 (4.25)
94 LEU HB2 95 ASN HN 3.5 #dfe0616 (3.58)
94 LEU QQD 95 ASN HN 5.5 #dfe0616 (5.90)
94 LEU HN 95 ASN HN 2.7 #dfe0625 (2.0)
95 ASN HA 95 ASN HB3 2.7 #dfe0616 stereo g+60
95 ASN HN 95 ASN HB2 3.5 #dfe0616
95 ASN HA 95 ASN HB2 2.7 #dfe0722
95 ASN HN 95 ASN HB3 2.7 #dfe0722
95 ASN HA 96 LEU HN 2.7 #dfe0630 
95 ASN HA 96 LEU HB2 3.7 #dfe0630 
95 ASN HA 96 LEU HB3 4.5 #dfe0630 
95 ASN HB3 96 LEU HN 3.5 #dfe0706 
95 ASN HB2 96 LEU HN 2.7 
95 ASN HN 96 LEU HN 4.5 
95 ASN HA 96 LEU HA 4.5 
96 LEU HA 96 LEU HB3 4.5 #dfe0630 wants to be t-180
96 LEU HA 96 LEU HB2 2.7 #dfe0722
96 LEU HN 96 LEU HB2 2.7 #dfe0722
96 LEU HN 96 LEU HB3 2.7 #dfe0630
96 LEU HB2 97 GLU- HN 3.5 
96 LEU HB3 97 GLU- HN 2.7 #dfe0623 
96 LEU QD1 97 GLU- HN 4.5 #dfe0630 
96 LEU QD2 97 GLU- HN 4.5 #dfe0630 
96 LEU HN 97 GLU- HA 5.5 
96 LEU HA 97 GLU- HN 3.5 
96 LEU HN 97 GLU- HN 2.7
96 LEU HA 97 GLU- HA 5.5 
96 LEU QD1 97 GLU- HA 3.5
97 GLU- HA 97 GLU- HB2 2.7 #dfe0630 stereo t-810
97 GLU- HA 97 GLU- HB3 3.5 #dfe0630
97 GLU- HN 97 GLU- HB2 2.7 #dfe0722
97 GLU- HN 97 GLU- HB3 2.7 #dfe0722
97 GLU- HA 98 ARG+ HA 4.5
97 GLU- HN 98 ARG+ HN 4.5
97 GLU- HA 98 ARG+ HN 2.7
97 GLU- QG 98 ARG+ HN 2.7 #dfe0623
97 GLU- HG2 99 ILE HN 5.5 #dfe0703
97 GLU- HA 98 ARG+ HB2 4.5
97 GLU- QB 98 ARG+ HN 4.5
97 GLU- HA 98 ARG+ QG 5.5
98 ARG+ HA 98 ARG+ HB3 2.7 #dfe0623 stereo g-60
98 ARG+ HN 98 ARG+ HB2 2.7 #dfe0623
98 ARG+ HA 98 ARG+ HB2 4.5 #dfe0722
98 ARG+ HN 98 ARG+ HB3 4.5 #dfe0722
98 ARG+ QD 99 ILE HN 4.5 #dfe0703
98 ARG+ HN 99 ILE HA 5.5
98 ARG+ HN 99 ILE HN 2.7
98 ARG+ HA 99 ILE HN 3.5
99 ILE HA 99 ILE HB 3.5 #dfe0722 stereo g-60
99 ILE HA 99 ILE QG2 3.5 #dfe0722
99 ILE HN 99 ILE HB 2.7 #dfe0722
99 ILE HN 99 ILE QG2 4.5 #dfe0722
99 ILE QG2 101 TRP HD1 5.5 #dfe0618 
99 ILE QG2 100 PRO QD 3.5 #dfe0622
99 ILE HB 100 PRO QD 4.5 #dfe0622
99 ILE HA 100 PRO QD 2.7 #dfe0802 trans
99 ILE HA 100 PRO QG 5.5
99 ILE HN 100 PRO HA 4.5
99 ILE HA 100 PRO HA 4.5
100 PRO HA 101 TRP HN 2.7 #dfe0616 trans 
100 PRO HA 102 VAL HN 3.5 #dfe0706
100 PRO HA 101 TRP HA 4.5
101 TRP HA 101 TRP HB3 2.7 #dfe0616 stereo wants to be g-60
101 TRP HA 101 TRP HB2 4.5
101 TRP HN 101 TRP HB2 2.7
101 TRP HN 101 TRP HB3 4.5
101 TRP HA 102 VAL HN 3.5 #dfe0616
101 TRP QB 102 VAL HN 4.5 #dfe0616
101 TRP HA 102 VAL HA 5.5
102 VAL HA 102 VAL QG1 2.7 #dfe0722
102 VAL HA 102 VAL QG2 2.7 #dfe0722
102 VAL HN 102 VAL QG2 2.7 #dfe0722
102 VAL HN 102 VAL HB 2.7 #dfe0722
102 VAL QG1 103 VAL HN 4.5
102 VAL HB 103 VAL HN 3.5
102 VAL HN 103 VAL HN 2.7
102 VAL HN 103 VAL HA 5.5
102 VAL HA 103 VAL HN 3.5
102 VAL HA 103 VAL HA 4.5
103 VAL HA 103 VAL QG1 2.7 #dfe0616 stereo t-180
103 VAL HA 103 VAL QG2 2.7 #dfe0722
103 VAL HN 103 VAL HB 2.7 #dfe0616
103 VAL HN 103 VAL QG2 2.7 #dfe0616
103 VAL QQG 104 ARG+ HN 4.5 #dfe0616
103 VAL HB 104 ARG+ HN 4.5 #dfe0703
103 VAL HN 104 ARG+ HA 5.5 #dfe0703
104 ARG+ HA 104 ARG+ HB3 2.7 #dfe0616 stereo g-60
104 ARG+ HN 104 ARG+ HB2 2.7 #dfe0616
104 ARG+ HA 104 ARG+ HB2 4.5 #dfe0722
104 ARG+ HN 104 ARG+ HB3 4.5 #dfe0722









































  Entry H atom name         Submitted Coord H atom name
    1    H1   ARG  29           H1       ARG  29 -20.107  20.963   0.284
    2    H2   ARG  29           H2       ARG  29 -18.496  21.072   0.556
    3    H3   ARG  29           H3       ARG  29 -19.153  21.807  -0.748
    4    HA   ARG  29           HA       ARG  29 -18.945  18.899  -0.298
    5    HB2  ARG  29           HB2      ARG  29 -20.529  20.478  -2.328
    6    HB3  ARG  29           HB3      ARG  29 -19.722  19.014  -2.877
    7    HG2  ARG  29           HG2      ARG  29 -20.792  17.698  -1.083
    8    HG3  ARG  29           HG3      ARG  29 -21.701  19.124  -0.559
    9    HD2  ARG  29           HD2      ARG  29 -21.813  18.025  -3.403
   10    HD3  ARG  29           HD3      ARG  29 -22.880  17.449  -2.142
   11    HE   ARG  29           HE       ARG  29 -22.919  20.109  -3.429
   12   HH11  ARG  29          HH11      ARG  29 -24.397  18.058  -0.944
   13   HH12  ARG  29          HH12      ARG  29 -25.785  19.110  -0.842
   14   HH21  ARG  29          HH21      ARG  29 -24.722  21.353  -3.206
   15   HH22  ARG  29          HH22      ARG  29 -25.966  20.900  -2.079
   16    H    GLU  30           H        GLU  30 -17.749  17.825  -2.092
   17    HA   GLU  30           HA       GLU  30 -15.506  19.411  -3.253
   18    HB2  GLU  30           HB2      GLU  30 -15.298  16.881  -1.561
   19    HB3  GLU  30           HB3      GLU  30 -13.996  17.465  -2.580
   20    HG2  GLU  30           HG2      GLU  30 -15.197  18.951  -0.208
   21    HG3  GLU  30           HG3      GLU  30 -13.679  18.065  -0.221
   22    H    LEU  31           H        LEU  31 -14.332  18.150  -4.930
   23    HA   LEU  31           HA       LEU  31 -16.127  17.022  -6.847
   24    HB2  LEU  31           HB2      LEU  31 -14.106  18.345  -7.401
   25    HB3  LEU  31           HB3      LEU  31 -13.082  17.087  -6.708
   26    HG   LEU  31           HG       LEU  31 -13.851  15.494  -8.467
   27   HD11  LEU  31          HD11      LEU  31 -15.311  17.925  -9.600
   28   HD12  LEU  31          HD12      LEU  31 -15.044  16.392 -10.459
   29   HD13  LEU  31          HD13      LEU  31 -16.067  16.422  -9.022
   30   HD21  LEU  31          HD21      LEU  31 -12.779  18.136  -9.543
   31   HD22  LEU  31          HD22      LEU  31 -11.814  16.847  -8.789
   32   HD23  LEU  31          HD23      LEU  31 -12.638  16.545 -10.327
   33    H    LYS  32           H        LYS  32 -16.787  14.992  -7.097
   34    HA   LYS  32           HA       LYS  32 -16.321  12.966  -5.240
   35    HB2  LYS  32           HB2      LYS  32 -18.296  13.171  -6.745
   36    HB3  LYS  32           HB3      LYS  32 -17.301  12.601  -8.095
   37    HG2  LYS  32           HG2      LYS  32 -16.913  10.448  -6.829
   38    HG3  LYS  32           HG3      LYS  32 -17.917  11.073  -5.521
   39    HD2  LYS  32           HD2      LYS  32 -19.264   9.582  -6.800
   40    HD3  LYS  32           HD3      LYS  32 -19.845  11.224  -7.129
   41    HE2  LYS  32           HE2      LYS  32 -18.470  11.241  -9.233
   42    HE3  LYS  32           HE3      LYS  32 -17.946   9.590  -8.881
   43    HZ1  LYS  32           HZ1      LYS  32 -20.759  10.434  -9.378
   44    HZ2  LYS  32           HZ2      LYS  32 -19.822   9.618 -10.432
   45    HZ3  LYS  32           HZ3      LYS  32 -20.298   8.903  -9.044
   46    HA   PRO  33           HA       PRO  33 -12.372  11.373  -6.775
   47    HB2  PRO  33           HB2      PRO  33 -11.835   9.533  -4.853
   48    HB3  PRO  33           HB3      PRO  33 -11.869  11.285  -4.497
   49    HG2  PRO  33           HG2      PRO  33 -14.077   9.258  -4.063
   50    HG3  PRO  33           HG3      PRO  33 -13.435  10.463  -2.904
   51    HD2  PRO  33           HD2      PRO  33 -15.682  10.855  -4.468
   52    HD3  PRO  33           HD3      PRO  33 -14.617  12.198  -3.938
   53    H    GLN  34           H        GLN  34 -11.388   9.134  -7.176
   54    HA   GLN  34           HA       GLN  34 -12.911   7.641  -9.092
   55    HB2  GLN  34           HB2      GLN  34 -10.409   8.005  -8.977
   56    HB3  GLN  34           HB3      GLN  34 -10.352   6.879  -7.618
   57    HG2  GLN  34           HG2      GLN  34 -11.198   5.064  -9.103
   58    HG3  GLN  34           HG3      GLN  34 -11.301   6.211 -10.444
   59   HE21  GLN  34          HE22      GLN  34  -9.204   4.083  -8.639
   60   HE22  GLN  34          HE21      GLN  34  -7.737   4.479  -9.526
   61    H    THR  35           H        THR  35 -13.533   5.487  -9.118
   62    HA   THR  35           HA       THR  35 -15.134   4.431  -7.104
   63    HB   THR  35           HB       THR  35 -14.393   2.239  -8.521
   64    HG1  THR  35           HG1      THR  35 -13.910   2.847 -10.622
   65   HG21  THR  35          HG21      THR  35 -16.152   4.499  -9.564
   66   HG22  THR  35          HG22      THR  35 -16.189   2.815 -10.142
   67   HG23  THR  35          HG23      THR  35 -16.660   3.181  -8.477
   68    H    CYS  36           H        CYS  36 -14.913   2.807  -5.634
   69    HA   CYS  36           HA       CYS  36 -12.362   2.369  -4.371
   70    HB2  CYS  36           HB2      CYS  36 -14.391   2.251  -3.052
   71    HB3  CYS  36           HB3      CYS  36 -15.052   0.962  -4.064
   72    H    THR  37           H        THR  37 -10.831   0.987  -4.907
   73    HA   THR  37           HA       THR  37 -10.976  -0.658  -7.301
   74    HB   THR  37           HB       THR  37  -8.493  -1.079  -6.461
   75    HG1  THR  37           HG1      THR  37  -7.775   0.517  -5.088
   76   HG21  THR  37          HG21      THR  37  -9.591   1.678  -7.245
   77   HG22  THR  37          HG22      THR  37  -7.879   1.185  -7.373
   78   HG23  THR  37          HG23      THR  37  -9.121   0.386  -8.357
   79    H    ILE  38           H        ILE  38 -12.139  -1.350  -4.371
   80    HA   ILE  38           HA       ILE  38 -11.226  -4.210  -4.347
   81    HB   ILE  38           HB       ILE  38 -11.995  -2.655  -1.957
   82   HG12  ILE  38          HG12      ILE  38  -9.348  -2.469  -3.290
   83   HG13  ILE  38          HG13      ILE  38 -10.356  -1.168  -2.661
   84   HG21  ILE  38          HG21      ILE  38 -11.652  -5.162  -1.854
   85   HG22  ILE  38          HG22      ILE  38 -10.013  -4.946  -2.495
   86   HG23  ILE  38          HG23      ILE  38 -10.435  -4.350  -0.886
   87   HD11  ILE  38          HD11      ILE  38  -9.719  -1.867  -0.365
   88   HD12  ILE  38          HD12      ILE  38  -8.585  -3.044  -1.095
   89   HD13  ILE  38          HD13      ILE  38  -8.382  -1.321  -1.406
   90    H    CYS  39           H        CYS  39 -14.017  -2.161  -3.338
   91    HA   CYS  39           HA       CYS  39 -15.812  -4.547  -3.721
   92    HB2  CYS  39           HB2      CYS  39 -17.299  -3.576  -2.245
   93    HB3  CYS  39           HB3      CYS  39 -15.707  -3.295  -1.519
   94    H    GLU  40           H        GLU  40 -14.867  -1.783  -5.414
   95    HA   GLU  40           HA       GLU  40 -15.622  -0.487  -7.026
   96    HB2  GLU  40           HB2      GLU  40 -16.049  -3.011  -7.751
   97    HB3  GLU  40           HB3      GLU  40 -17.633  -2.253  -8.077
   98    HG2  GLU  40           HG2      GLU  40 -16.469  -0.484  -9.400
   99    HG3  GLU  40           HG3      GLU  40 -14.928  -1.278  -9.072
  100    H    THR  41           H        THR  41 -17.424  -0.610  -4.409
  101    HA   THR  41           HA       THR  41 -19.824   0.844  -5.277
  102    HB   THR  41           HB       THR  41 -18.739   0.492  -2.542
  103    HG1  THR  41           HG1      THR  41 -19.449  -1.387  -3.670
  104   HG21  THR  41          HG21      THR  41 -20.204   2.477  -2.675
  105   HG22  THR  41          HG22      THR  41 -21.413   1.533  -3.580
  106   HG23  THR  41          HG23      THR  41 -21.055   1.150  -1.887
  107    H    THR  42           H        THR  42 -19.421   2.756  -6.301
  108    HA   THR  42           HA       THR  42 -17.210   4.359  -6.106
  109    HB   THR  42           HB       THR  42 -19.953   5.493  -6.683
  110    HG1  THR  42           HG1      THR  42 -19.650   4.715  -8.756
  111   HG21  THR  42          HG21      THR  42 -18.064   7.110  -6.711
  112   HG22  THR  42          HG22      THR  42 -17.156   6.039  -7.800
  113   HG23  THR  42          HG23      THR  42 -18.658   6.811  -8.352
  114    HA   PRO  43           HA       PRO  43 -17.941   6.319  -2.019
  115    HB2  PRO  43           HB2      PRO  43 -15.558   7.506  -1.702
  116    HB3  PRO  43           HB3      PRO  43 -15.797   5.745  -1.482
  117    HG2  PRO  43           HG2      PRO  43 -14.691   7.172  -3.912
  118    HG3  PRO  43           HG3      PRO  43 -14.061   5.700  -3.114
  119    HD2  PRO  43           HD2      PRO  43 -15.657   5.678  -5.341
  120    HD3  PRO  43           HD3      PRO  43 -15.680   4.366  -4.119
  121    H    VAL  44           H        VAL  44 -18.512   8.347  -1.413
  122    HA   VAL  44           HA       VAL  44 -19.223  10.229  -3.547
  123    HB   VAL  44           HB       VAL  44 -19.591  10.364  -0.547
  124   HG11  VAL  44          HG11      VAL  44 -20.882  12.066  -2.712
  125   HG12  VAL  44          HG12      VAL  44 -21.351  12.023  -0.995
  126   HG13  VAL  44          HG13      VAL  44 -19.767  12.640  -1.445
  127   HG21  VAL  44          HG21      VAL  44 -21.341   9.414  -2.815
  128   HG22  VAL  44          HG22      VAL  44 -20.705   8.513  -1.409
  129   HG23  VAL  44          HG23      VAL  44 -21.934   9.770  -1.176
  130    H    ASN  45           H        ASN  45 -17.157  10.300  -0.727
  131    HA   ASN  45           HA       ASN  45 -15.633  12.687  -1.647
  132    HB2  ASN  45           HB2      ASN  45 -15.893  13.445   0.678
  133    HB3  ASN  45           HB3      ASN  45 -17.461  13.123  -0.080
  134   HD21  ASN  45          HD22      ASN  45 -18.708  11.279   0.586
  135   HD22  ASN  45          HD21      ASN  45 -18.404  10.561   2.126
  136    H    ALA  46           H        ALA  46 -13.610  13.028  -0.250
  137    HA   ALA  46           HA       ALA  46 -11.842  10.857  -0.690
  138    HB1  ALA  46           HB1      ALA  46 -11.478  13.398   0.955
  139    HB2  ALA  46           HB2      ALA  46 -10.180  12.350   0.345
  140    HB3  ALA  46           HB3      ALA  46 -11.210  13.231  -0.797
  141    H    ILE  47           H        ILE  47 -13.405  11.925   2.313
  142    HA   ILE  47           HA       ILE  47 -11.878  10.266   4.149
  143    HB   ILE  47           HB       ILE  47 -14.628  11.503   4.261
  144   HG12  ILE  47          HG12      ILE  47 -12.201  12.326   5.891
  145   HG13  ILE  47          HG13      ILE  47 -12.456  12.951   4.266
  146   HG21  ILE  47          HG21      ILE  47 -13.191  10.085   6.532
  147   HG22  ILE  47          HG22      ILE  47 -14.648  11.093   6.718
  148   HG23  ILE  47          HG23      ILE  47 -14.737   9.617   5.784
  149   HD11  ILE  47          HD11      ILE  47 -14.418  13.318   6.566
  150   HD12  ILE  47          HD12      ILE  47 -13.306  14.531   5.914
  151   HD13  ILE  47          HD13      ILE  47 -14.627  13.908   4.906
  152    H    ASP  48           H        ASP  48 -15.055   9.867   2.591
  153    HA   ASP  48           HA       ASP  48 -15.683   7.217   3.416
  154    HB2  ASP  48           HB2      ASP  48 -17.250   8.849   2.546
  155    HB3  ASP  48           HB3      ASP  48 -16.418   8.881   0.989
  156    H    ALA  49           H        ALA  49 -13.907   8.442   0.542
  157    HA   ALA  49           HA       ALA  49 -13.538   5.907  -0.733
  158    HB1  ALA  49           HB1      ALA  49 -13.417   8.109  -1.878
  159    HB2  ALA  49           HB2      ALA  49 -11.922   8.480  -0.994
  160    HB3  ALA  49           HB3      ALA  49 -11.965   7.133  -2.152
  161    H    GLU  50           H        GLU  50 -11.426   7.707   1.588
  162    HA   GLU  50           HA       GLU  50  -9.272   5.715   1.324
  163    HB2  GLU  50           HB2      GLU  50  -8.747   7.892   2.132
  164    HB3  GLU  50           HB3      GLU  50  -9.887   7.723   3.492
  165    HG2  GLU  50           HG2      GLU  50  -8.519   5.934   4.501
  166    HG3  GLU  50           HG3      GLU  50  -7.472   5.903   3.091
  167    H    MET  51           H        MET  51 -11.928   6.260   3.640
  168    HA   MET  51           HA       MET  51 -11.406   4.190   5.481
  169    HB2  MET  51           HB2      MET  51 -13.118   5.950   5.831
  170    HB3  MET  51           HB3      MET  51 -14.044   5.373   4.449
  171    HG2  MET  51           HG2      MET  51 -14.502   3.255   5.570
  172    HG3  MET  51           HG3      MET  51 -13.488   3.731   6.937
  173    HE1  MET  51           HE1      MET  51 -17.731   4.382   5.897
  174    HE2  MET  51           HE2      MET  51 -16.952   5.848   5.229
  175    HE3  MET  51           HE3      MET  51 -16.387   4.250   4.746
  176    H    HIS  52           H        HIS  52 -13.251   4.176   2.451
  177    HA   HIS  52           HA       HIS  52 -13.997   1.426   2.270
  178    HB2  HIS  52           HB2      HIS  52 -13.672   3.780   0.540
  179    HB3  HIS  52           HB3      HIS  52 -13.302   2.307  -0.229
  180    HD2  HIS  52           HD2      HIS  52 -16.282   4.056   1.453
  181    HE1  HIS  52           HE1      HIS  52 -17.792   0.863  -0.950
  182    HE2  HIS  52           HE2      HIS  52 -18.425   2.961   0.408
  183    H    ASP  53           H        ASP  53 -10.930   3.088   1.224
  184    HA   ASP  53           HA       ASP  53 -10.033   0.608  -0.043
  185    HB2  ASP  53           HB2      ASP  53  -9.179   2.857  -0.744
  186    HB3  ASP  53           HB3      ASP  53  -8.618   3.165   0.899
  187    H    LEU  54           H        LEU  54 -10.076   1.836   3.093
  188    HA   LEU  54           HA       LEU  54  -8.120   0.055   4.199
  189    HB2  LEU  54           HB2      LEU  54  -9.337   2.528   4.777
  190    HB3  LEU  54           HB3      LEU  54 -10.106   1.470   5.889
  191    HG   LEU  54           HG       LEU  54  -7.177   2.024   5.422
  192   HD11  LEU  54          HD11      LEU  54  -7.312   3.212   7.596
  193   HD12  LEU  54          HD12      LEU  54  -8.548   3.829   6.464
  194   HD13  LEU  54          HD13      LEU  54  -9.016   2.719   7.764
  195   HD21  LEU  54          HD21      LEU  54  -7.454  -0.340   6.190
  196   HD22  LEU  54          HD22      LEU  54  -6.745   0.634   7.500
  197   HD23  LEU  54          HD23      LEU  54  -8.476   0.202   7.523
  198    H    ASN  55           H        ASN  55 -11.716   0.218   4.510
  199    HA   ASN  55           HA       ASN  55 -11.581  -2.335   6.016
  200    HB2  ASN  55           HB2      ASN  55 -14.012  -2.217   6.044
  201    HB3  ASN  55           HB3      ASN  55 -13.282  -0.757   6.595
  202   HD21  ASN  55          HD22      ASN  55 -13.499   1.181   5.346
  203   HD22  ASN  55          HD21      ASN  55 -14.528   1.245   3.984
  204    H    CYS  56           H        CYS  56 -11.933  -1.471   2.527
  205    HA   CYS  56           HA       CYS  56 -13.269  -3.997   2.027
  206    HB2  CYS  56           HB2      CYS  56 -11.813  -1.992   0.289
  207    HB3  CYS  56           HB3      CYS  56 -12.637  -3.462  -0.271
  208    H    SER  57           H        SER  57  -9.913  -2.758   2.313
  209    HA   SER  57           HA       SER  57  -8.566  -4.924   1.021
  210    HB2  SER  57           HB2      SER  57  -7.596  -2.856   1.366
  211    HB3  SER  57           HB3      SER  57  -8.121  -2.724   2.975
  212    HG   SER  57           HG       SER  57  -5.809  -3.190   2.747
  213    H    TYR  58           H        TYR  58 -10.300  -4.746   3.989
  214    HA   TYR  58           HA       TYR  58  -9.272  -7.315   5.073
  215    HB2  TYR  58           HB2      TYR  58 -10.545  -4.856   6.331
  216    HB3  TYR  58           HB3      TYR  58 -10.322  -6.356   7.180
  217    HD1  TYR  58           HD1      TYR  58  -8.294  -3.898   5.146
  218    HD2  TYR  58           HD2      TYR  58  -8.368  -6.553   8.537
  219    HE1  TYR  58           HE1      TYR  58  -6.077  -3.113   5.735
  220    HE2  TYR  58           HE2      TYR  58  -6.093  -5.749   9.174
  221    HH   TYR  58           HH       TYR  58  -4.327  -3.278   7.266
  222    H    ASN  59           H        ASN  59 -11.660  -6.259   3.137
  223    HA   ASN  59           HA       ASN  59 -13.773  -6.501   2.681
  224    HB2  ASN  59           HB2      ASN  59 -13.912  -9.336   3.325
  225    HB3  ASN  59           HB3      ASN  59 -14.243  -8.498   1.853
  226   HD21  ASN  59          HD22      ASN  59 -11.763 -10.113   3.759
  227   HD22  ASN  59          HD21      ASN  59 -10.593 -10.204   2.447
  228    H    ILE  60           H        ILE  60 -13.982  -5.084   4.748
  229    HA   ILE  60           HA       ILE  60 -16.155  -6.253   6.470
  230    HB   ILE  60           HB       ILE  60 -13.691  -4.595   6.953
  231   HG12  ILE  60          HG12      ILE  60 -14.940  -6.784   8.643
  232   HG13  ILE  60          HG13      ILE  60 -13.738  -7.075   7.390
  233   HG21  ILE  60          HG21      ILE  60 -15.981  -4.618   8.924
  234   HG22  ILE  60          HG22      ILE  60 -14.441  -3.754   9.081
  235   HG23  ILE  60          HG23      ILE  60 -15.585  -3.217   7.874
  236   HD11  ILE  60          HD11      ILE  60 -12.147  -5.574   8.657
  237   HD12  ILE  60          HD12      ILE  60 -13.339  -5.541   9.981
  238   HD13  ILE  60          HD13      ILE  60 -12.608  -7.073   9.491
  239    H    CYS  61           H        CYS  61 -18.124  -4.923   6.377
  240    HA   CYS  61           HA       CYS  61 -18.313  -3.067   4.282
  241    HB2  CYS  61           HB2      CYS  61 -20.258  -4.090   5.104
  242    HB3  CYS  61           HB3      CYS  61 -20.037  -3.437   6.741
  243    HA   PRO  62           HA       PRO  62 -16.300   0.564   6.034
  244    HB2  PRO  62           HB2      PRO  62 -18.067   2.239   4.332
  245    HB3  PRO  62           HB3      PRO  62 -16.310   2.112   4.277
  246    HG2  PRO  62           HG2      PRO  62 -18.079   1.059   2.389
  247    HG3  PRO  62           HG3      PRO  62 -16.415   0.487   2.630
  248    HD2  PRO  62           HD2      PRO  62 -18.983  -0.742   3.440
  249    HD3  PRO  62           HD3      PRO  62 -17.394  -1.507   3.181
  250    H    TYR  63           H        TYR  63 -19.745   0.068   5.968
  251    HA   TYR  63           HA       TYR  63 -20.250   2.379   7.743
  252    HB2  TYR  63           HB2      TYR  63 -22.184   0.838   5.998
  253    HB3  TYR  63           HB3      TYR  63 -22.349   2.452   6.673
  254    HD1  TYR  63           HD1      TYR  63 -20.356   4.100   6.002
  255    HD2  TYR  63           HD2      TYR  63 -21.563   0.673   3.722
  256    HE1  TYR  63           HE1      TYR  63 -19.436   5.168   3.921
  257    HE2  TYR  63           HE2      TYR  63 -20.634   1.716   1.655
  258    HH   TYR  63           HH       TYR  63 -19.042   4.926   1.716
  259    H    CYS  64           H        CYS  64 -20.998  -1.175   7.474
  260    HA   CYS  64           HA       CYS  64 -22.084  -1.003  10.244
  261    HB2  CYS  64           HB2      CYS  64 -23.723  -2.554   9.732
  262    HB3  CYS  64           HB3      CYS  64 -23.689  -1.365   8.405
  263    H    ALA  65           H        ALA  65 -19.406  -2.114   8.585
  264    HA   ALA  65           HA       ALA  65 -17.765  -3.524   8.972
  265    HB1  ALA  65           HB1      ALA  65 -17.515  -2.056  10.899
  266    HB2  ALA  65           HB2      ALA  65 -18.543  -3.132  11.877
  267    HB3  ALA  65           HB3      ALA  65 -16.967  -3.697  11.287
  268    H    SER  66           H        SER  66 -19.725  -4.864   8.001
  269    HA   SER  66           HA       SER  66 -20.736  -7.066   9.445
  270    HB2  SER  66           HB2      SER  66 -21.538  -7.763   7.131
  271    HB3  SER  66           HB3      SER  66 -22.053  -6.186   7.754
  272    HG   SER  66           HG       SER  66 -21.304  -5.847   5.725
  273    H    ARG  67           H        ARG  67 -17.612  -6.843   8.177
  274    HA   ARG  67           HA       ARG  67 -16.067  -8.352   7.505
  275    HB2  ARG  67           HB2      ARG  67 -15.436  -9.932   9.122
  276    HB3  ARG  67           HB3      ARG  67 -16.016  -8.455   9.885
  277    HG2  ARG  67           HG2      ARG  67 -17.918 -10.795   9.645
  278    HG3  ARG  67           HG3      ARG  67 -16.608 -10.875  10.815
  279    HD2  ARG  67           HD2      ARG  67 -17.329  -8.801  11.880
  280    HD3  ARG  67           HD3      ARG  67 -18.653  -8.616  10.746
  281    HE   ARG  67           HE       ARG  67 -18.554 -10.345  13.065
  282   HH11  ARG  67          HH11      ARG  67 -20.123 -10.145   9.906
  283   HH12  ARG  67          HH12      ARG  67 -21.488 -11.077  10.460
  284   HH21  ARG  67          HH21      ARG  67 -20.320 -11.529  13.654
  285   HH22  ARG  67          HH22      ARG  67 -21.588 -11.841  12.507
  286    H    LEU  68           H        LEU  68 -17.348  -8.351   5.787
  287    HA   LEU  68           HA       LEU  68 -18.624 -10.484   4.444
  288    HB2  LEU  68           HB2      LEU  68 -16.823  -8.313   3.244
  289    HB3  LEU  68           HB3      LEU  68 -18.199  -9.072   2.490
  290    HG   LEU  68           HG       LEU  68 -18.409  -7.240   4.939
  291   HD11  LEU  68          HD11      LEU  68 -19.230  -6.376   2.182
  292   HD12  LEU  68          HD12      LEU  68 -19.189  -5.485   3.709
  293   HD13  LEU  68          HD13      LEU  68 -17.660  -5.938   2.935
  294   HD21  LEU  68          HD21      LEU  68 -20.385  -8.478   3.006
  295   HD22  LEU  68          HD22      LEU  68 -20.245  -8.725   4.784
  296   HD23  LEU  68          HD23      LEU  68 -20.779  -7.164   4.114
  297    H    THR  69           H        THR  69 -17.580 -11.307   2.322
  298    HA   THR  69           HA       THR  69 -14.805 -12.390   2.746
  299    HB   THR  69           HB       THR  69 -15.338 -14.032   1.049
  300    HG1  THR  69           HG1      THR  69 -17.560 -14.284   0.451
  301   HG21  THR  69          HG21      THR  69 -16.908 -15.447   2.352
  302   HG22  THR  69          HG22      THR  69 -15.817 -14.591   3.459
  303   HG23  THR  69          HG23      THR  69 -17.484 -14.012   3.235
  304    H    SER  70           H        SER  70 -13.565 -12.589   0.567
  305    HA   SER  70           HA       SER  70 -13.546 -10.019  -0.591
  306    HB2  SER  70           HB2      SER  70 -11.811 -10.774  -2.057
  307    HB3  SER  70           HB3      SER  70 -11.536 -11.376  -0.415
  308    HG   SER  70           HG       SER  70 -11.233 -13.032  -2.004
  309    H    ASP  71           H        ASP  71 -15.676 -12.496  -1.376
  310    HA   ASP  71           HA       ASP  71 -16.413 -11.175  -3.955
  311    HB2  ASP  71           HB2      ASP  71 -15.558 -13.584  -3.945
  312    HB3  ASP  71           HB3      ASP  71 -17.058 -14.003  -3.113
  313    H    GLY  72           H        GLY  72 -17.292 -11.428  -0.711
  314    HA2  GLY  72           HA2      GLY  72 -20.251 -11.279  -1.152
  315    HA3  GLY  72           HA3      GLY  72 -19.388 -11.346   0.400
  316    H    LEU  73           H        LEU  73 -17.398  -9.498  -0.308
  317    HA   LEU  73           HA       LEU  73 -18.003  -7.029   0.560
  318    HB2  LEU  73           HB2      LEU  73 -15.816  -7.877   0.370
  319    HB3  LEU  73           HB3      LEU  73 -16.059  -8.430  -1.290
  320    HG   LEU  73           HG       LEU  73 -15.880  -6.001  -2.024
  321   HD11  LEU  73          HD11      LEU  73 -14.396  -4.703  -0.576
  322   HD12  LEU  73          HD12      LEU  73 -16.008  -4.948   0.189
  323   HD13  LEU  73          HD13      LEU  73 -14.590  -5.912   0.712
  324   HD21  LEU  73          HD21      LEU  73 -13.442  -6.243  -2.046
  325   HD22  LEU  73          HD22      LEU  73 -13.529  -7.529  -0.831
  326   HD23  LEU  73          HD23      LEU  73 -14.224  -7.751  -2.458
  327    H    ALA  74           H        ALA  74 -17.707  -7.752  -2.990
  328    HA   ALA  74           HA       ALA  74 -18.511  -5.071  -3.520
  329    HB1  ALA  74           HB1      ALA  74 -18.521  -7.566  -5.320
  330    HB2  ALA  74           HB2      ALA  74 -18.662  -5.883  -5.902
  331    HB3  ALA  74           HB3      ALA  74 -17.172  -6.429  -5.113
  332    H    ARG  75           H        ARG  75 -20.381  -8.084  -3.416
  333    HA   ARG  75           HA       ARG  75 -22.872  -6.897  -4.290
  334    HB2  ARG  75           HB2      ARG  75 -22.424  -9.368  -2.567
  335    HB3  ARG  75           HB3      ARG  75 -23.933  -8.878  -3.357
  336    HG2  ARG  75           HG2      ARG  75 -22.871  -9.132  -5.583
  337    HG3  ARG  75           HG3      ARG  75 -21.359  -9.654  -4.809
  338    HD2  ARG  75           HD2      ARG  75 -22.554 -11.565  -3.760
  339    HD3  ARG  75           HD3      ARG  75 -24.059 -11.036  -4.507
  340    HE   ARG  75           HE       ARG  75 -23.362 -11.817  -6.593
  341   HH11  ARG  75          HH21      ARG  75 -20.581 -12.107  -4.432
  342   HH12  ARG  75          HH22      ARG  75 -19.861 -13.348  -5.405
  343   HH21  ARG  75          HH11      ARG  75 -22.282 -13.339  -7.830
  344   HH22  ARG  75          HH12      ARG  75 -20.753 -13.963  -7.270
  345    H    HIS  76           H        HIS  76 -21.380  -7.275  -1.013
  346    HA   HIS  76           HA       HIS  76 -23.841  -6.260   0.227
  347    HB2  HIS  76           HB2      HIS  76 -22.624  -7.834   1.437
  348    HB3  HIS  76           HB3      HIS  76 -21.134  -6.884   1.342
  349    HD1  HIS  76           HD1      HIS  76 -24.420  -7.139   3.283
  350    HD2  HIS  76           HD2      HIS  76 -21.202  -4.468   2.819
  351    HE1  HIS  76           HE1      HIS  76 -24.688  -5.351   5.088
  352    H    VAL  77           H        VAL  77 -20.503  -4.851  -0.435
  353    HA   VAL  77           HA       VAL  77 -21.369  -2.403   0.841
  354    HB   VAL  77           HB       VAL  77 -19.115  -2.574  -1.194
  355   HG11  VAL  77          HG11      VAL  77 -19.957  -0.794   1.153
  356   HG12  VAL  77          HG12      VAL  77 -18.402  -0.661   0.326
  357   HG13  VAL  77          HG13      VAL  77 -19.895  -0.315  -0.576
  358   HG21  VAL  77          HG21      VAL  77 -19.030  -2.866   1.871
  359   HG22  VAL  77          HG22      VAL  77 -18.602  -4.139   0.730
  360   HG23  VAL  77          HG23      VAL  77 -17.643  -2.652   0.777
  361    H    THR  78           H        THR  78 -21.980  -3.690  -2.396
  362    HA   THR  78           HA       THR  78 -23.033  -1.204  -3.489
  363    HB   THR  78           HB       THR  78 -23.517  -4.114  -4.292
  364    HG1  THR  78           HG1      THR  78 -21.452  -3.640  -4.614
  365   HG21  THR  78          HG21      THR  78 -25.250  -2.802  -5.371
  366   HG22  THR  78          HG22      THR  78 -24.095  -1.498  -5.754
  367   HG23  THR  78          HG23      THR  78 -23.984  -3.079  -6.566
  368    H    GLN  79           H        GLN  79 -24.360  -3.475  -1.198
  369    HA   GLN  79           HA       GLN  79 -27.147  -2.494  -1.721
  370    HB2  GLN  79           HB2      GLN  79 -26.046  -5.176  -0.845
  371    HB3  GLN  79           HB3      GLN  79 -27.773  -4.760  -0.797
  372    HG2  GLN  79           HG2      GLN  79 -27.665  -4.252  -3.261
  373    HG3  GLN  79           HG3      GLN  79 -26.010  -4.815  -3.289
  374   HE21  GLN  79          HE22      GLN  79 -25.940  -6.850  -4.217
  375   HE22  GLN  79          HE21      GLN  79 -27.118  -8.119  -3.898
  376    H    CYS  80           H        CYS  80 -24.770  -2.623   0.835
  377    HA   CYS  80           HA       CYS  80 -26.199  -2.828   3.157
  378    HB2  CYS  80           HB2      CYS  80 -23.759  -2.599   2.873
  379    HB3  CYS  80           HB3      CYS  80 -23.960  -0.876   2.535
  380    HA   PRO  81           HA       PRO  81 -28.663   0.927   3.030
  381    HB2  PRO  81           HB2      PRO  81 -30.137   0.631   5.282
  382    HB3  PRO  81           HB3      PRO  81 -30.351  -0.484   3.885
  383    HG2  PRO  81           HG2      PRO  81 -28.775  -0.937   6.443
  384    HG3  PRO  81           HG3      PRO  81 -29.890  -2.067   5.616
  385    HD2  PRO  81           HD2      PRO  81 -27.119  -2.069   5.301
  386    HD3  PRO  81           HD3      PRO  81 -28.267  -2.684   4.079
  387    H    LYS  82           H        LYS  82 -26.453   0.104   5.617
  388    HA   LYS  82           HA       LYS  82 -26.750   2.601   7.180
  389    HB2  LYS  82           HB2      LYS  82 -24.712   0.335   7.176
  390    HB3  LYS  82           HB3      LYS  82 -24.465   1.801   8.115
  391    HG2  LYS  82           HG2      LYS  82 -26.969   0.118   8.437
  392    HG3  LYS  82           HG3      LYS  82 -25.480  -0.206   9.343
  393    HD2  LYS  82           HD2      LYS  82 -25.497   1.907  10.423
  394    HD3  LYS  82           HD3      LYS  82 -26.757   2.560   9.386
  395    HE2  LYS  82           HE2      LYS  82 -27.187   0.223  11.300
  396    HE3  LYS  82           HE3      LYS  82 -27.471   1.917  11.720
  397    HZ1  LYS  82           HZ1      LYS  82 -28.892   0.428   9.587
  398    HZ2  LYS  82           HZ2      LYS  82 -29.531   0.977  10.987
  399    HZ3  LYS  82           HZ3      LYS  82 -29.044   2.040   9.835
  400    H    ARG  83           H        ARG  83 -25.242   1.537   4.385
  401    HA   ARG  83           HA       ARG  83 -23.011   3.323   4.014
  402    HB2  ARG  83           HB2      ARG  83 -23.229   1.399   2.616
  403    HB3  ARG  83           HB3      ARG  83 -24.861   1.629   2.391
  404    HG2  ARG  83           HG2      ARG  83 -24.598   3.421   0.852
  405    HG3  ARG  83           HG3      ARG  83 -22.822   3.401   1.080
  406    HD2  ARG  83           HD2      ARG  83 -22.545   1.544  -0.207
  407    HD3  ARG  83           HD3      ARG  83 -24.003   0.761   0.384
  408    HE   ARG  83           HE       ARG  83 -23.761   2.566  -1.934
  409   HH11  ARG  83          HH11      ARG  83 -26.072   0.838   0.136
  410   HH12  ARG  83          HH12      ARG  83 -27.270   0.847  -1.123
  411   HH21  ARG  83          HH22      ARG  83 -25.388   2.535  -3.430
  412   HH22  ARG  83          HH21      ARG  83 -26.899   1.760  -3.064
  413    H    LYS  84           H        LYS  84 -26.331   3.671   3.011
  414    HA   LYS  84           HA       LYS  84 -26.282   6.350   2.070
  415    HB2  LYS  84           HB2      LYS  84 -28.051   4.663   1.593
  416    HB3  LYS  84           HB3      LYS  84 -28.536   4.684   3.293
  417    HG2  LYS  84           HG2      LYS  84 -29.196   7.056   3.090
  418    HG3  LYS  84           HG3      LYS  84 -28.645   7.065   1.406
  419    HD2  LYS  84           HD2      LYS  84 -31.038   6.865   1.421
  420    HD3  LYS  84           HD3      LYS  84 -30.366   5.320   0.876
  421    HE2  LYS  84           HE2      LYS  84 -30.684   4.385   3.167
  422    HE3  LYS  84           HE3      LYS  84 -31.311   5.945   3.717
  423    HZ1  LYS  84           HZ1      LYS  84 -33.112   4.417   3.161
  424    HZ2  LYS  84           HZ2      LYS  84 -33.151   5.685   2.137
  425    HZ3  LYS  84           HZ3      LYS  84 -32.573   4.242   1.631
  426    H    GLU  85           H        GLU  85 -26.924   5.044   5.376
  427    HA   GLU  85           HA       GLU  85 -27.650   7.656   6.431
  428    HB2  GLU  85           HB2      GLU  85 -26.707   5.136   7.863
  429    HB3  GLU  85           HB3      GLU  85 -27.315   6.595   8.655
  430    HG2  GLU  85           HG2      GLU  85 -29.467   6.350   7.379
  431    HG3  GLU  85           HG3      GLU  85 -28.874   4.820   6.729
  432    H    LYS  86           H        LYS  86 -24.550   5.831   6.514
  433    HA   LYS  86           HA       LYS  86 -23.163   7.896   8.037
  434    HB2  LYS  86           HB2      LYS  86 -22.430   5.541   8.080
  435    HB3  LYS  86           HB3      LYS  86 -22.045   5.610   6.356
  436    HG2  LYS  86           HG2      LYS  86 -20.848   7.741   8.112
  437    HG3  LYS  86           HG3      LYS  86 -20.247   6.098   8.366
  438    HD2  LYS  86           HD2      LYS  86 -19.344   5.963   6.177
  439    HD3  LYS  86           HD3      LYS  86 -20.278   7.328   5.592
  440    HE2  LYS  86           HE2      LYS  86 -18.025   8.026   5.821
  441    HE3  LYS  86           HE3      LYS  86 -18.992   8.845   7.046
  442    HZ1  LYS  86           HZ1      LYS  86 -17.288   6.461   7.596
  443    HZ2  LYS  86           HZ2      LYS  86 -16.885   7.994   7.978
  444    HZ3  LYS  86           HZ3      LYS  86 -18.166   7.290   8.709
  445    H    VAL  87           H        VAL  87 -23.745   7.193   4.612
  446    HA   VAL  87           HA       VAL  87 -21.785   9.234   3.969
  447    HB   VAL  87           HB       VAL  87 -23.511   7.425   2.196
  448   HG11  VAL  87          HG11      VAL  87 -22.745   9.524   1.051
  449   HG12  VAL  87          HG12      VAL  87 -21.077   9.162   1.596
  450   HG13  VAL  87          HG13      VAL  87 -21.901   8.064   0.463
  451   HG21  VAL  87          HG21      VAL  87 -20.502   7.426   2.901
  452   HG22  VAL  87          HG22      VAL  87 -21.667   6.332   3.634
  453   HG23  VAL  87          HG23      VAL  87 -21.358   6.236   1.896
  454    H    GLU  88           H        GLU  88 -25.231   9.242   4.419
  455    HA   GLU  88           HA       GLU  88 -25.500  11.972   3.363
  456    HB2  GLU  88           HB2      GLU  88 -27.197  10.284   5.244
  457    HB3  GLU  88           HB3      GLU  88 -27.558  11.981   4.870
  458    HG2  GLU  88           HG2      GLU  88 -27.580  11.487   2.462
  459    HG3  GLU  88           HG3      GLU  88 -27.264   9.792   2.770
  460    H    GLU  89           H        GLU  89 -24.214  10.426   6.324
  461    HA   GLU  89           HA       GLU  89 -24.018  12.876   7.855
  462    HB2  GLU  89           HB2      GLU  89 -23.589  10.156   8.229
  463    HB3  GLU  89           HB3      GLU  89 -21.978  10.808   8.154
  464    HG2  GLU  89           HG2      GLU  89 -22.487  12.440   9.947
  465    HG3  GLU  89           HG3      GLU  89 -24.142  11.829  10.032
  466    H    THR  90           H        THR  90 -21.946  11.174   5.426
  467    HA   THR  90           HA       THR  90 -19.700  12.949   5.796
  468    HB   THR  90           HB       THR  90 -18.752  12.169   3.699
  469    HG1  THR  90           HG1      THR  90 -21.203  11.367   3.149
  470   HG21  THR  90          HG21      THR  90 -19.729   9.973   5.510
  471   HG22  THR  90          HG22      THR  90 -18.341   9.885   4.401
  472   HG23  THR  90          HG23      THR  90 -18.294  10.989   5.791
  473    H    GLU  91           H        GLU  91 -22.661  13.367   4.077
  474    HA   GLU  91           HA       GLU  91 -21.761  15.581   2.389
  475    HB2  GLU  91           HB2      GLU  91 -24.435  14.542   3.345
  476    HB3  GLU  91           HB3      GLU  91 -24.340  16.144   2.627
  477    HG2  GLU  91           HG2      GLU  91 -23.335  13.604   1.275
  478    HG3  GLU  91           HG3      GLU  91 -24.933  14.306   1.022
  479    H    LEU  92           H        LEU  92 -22.243  15.159   5.788
  480    HA   LEU  92           HA       LEU  92 -21.911  18.078   6.284
  481    HB2  LEU  92           HB2      LEU  92 -23.531  16.035   7.840
  482    HB3  LEU  92           HB3      LEU  92 -22.984  17.574   8.504
  483    HG   LEU  92           HG       LEU  92 -24.254  18.762   6.654
  484   HD11  LEU  92          HD11      LEU  92 -26.281  17.537   5.812
  485   HD12  LEU  92          HD12      LEU  92 -24.785  16.953   5.102
  486   HD13  LEU  92          HD13      LEU  92 -25.564  16.016   6.393
  487   HD21  LEU  92          HD21      LEU  92 -26.369  18.614   7.907
  488   HD22  LEU  92          HD22      LEU  92 -25.809  17.120   8.695
  489   HD23  LEU  92          HD23      LEU  92 -24.985  18.665   9.005
  490    H    TYR  93           H        TYR  93 -19.913  16.663   5.608
  491    HA   TYR  93           HA       TYR  93 -18.286  15.382   7.446
  492    HB2  TYR  93           HB2      TYR  93 -16.425  16.049   5.944
  493    HB3  TYR  93           HB3      TYR  93 -17.777  15.399   5.074
  494    HD1  TYR  93           HD2      TYR  93 -19.514  17.169   4.042
  495    HD2  TYR  93           HD1      TYR  93 -15.506  18.145   5.339
  496    HE1  TYR  93           HE2      TYR  93 -19.538  19.183   2.608
  497    HE2  TYR  93           HE1      TYR  93 -15.539  20.165   3.888
  498    HH   TYR  93           HH       TYR  93 -16.738  21.416   2.398
  499    H    LEU  94           H        LEU  94 -19.249  18.592   7.554
  500    HA   LEU  94           HA       LEU  94 -17.053  19.928   8.819
  501    HB2  LEU  94           HB2      LEU  94 -20.064  20.378   9.081
  502    HB3  LEU  94           HB3      LEU  94 -18.821  21.472   9.647
  503    HG   LEU  94           HG       LEU  94 -19.663  22.409   7.692
  504   HD11  LEU  94          HD11      LEU  94 -17.765  22.590   6.206
  505   HD12  LEU  94          HD12      LEU  94 -17.187  22.489   7.879
  506   HD13  LEU  94          HD13      LEU  94 -17.079  21.070   6.808
  507   HD21  LEU  94          HD21      LEU  94 -20.709  20.357   6.701
  508   HD22  LEU  94          HD22      LEU  94 -19.902  21.426   5.546
  509   HD23  LEU  94          HD23      LEU  94 -19.108  19.931   6.031
  510    H    ASN  95           H        ASN  95 -19.228  17.485  10.013
  511    HA   ASN  95           HA       ASN  95 -18.918  17.951  12.873
  512    HB2  ASN  95           HB2      ASN  95 -20.174  16.078  13.144
  513    HB3  ASN  95           HB3      ASN  95 -20.744  16.609  11.596
  514   HD21  ASN  95          HD22      ASN  95 -20.135  15.292   9.685
  515   HD22  ASN  95          HD21      ASN  95 -19.516  13.661   9.951
  516    H    LEU  96           H        LEU  96 -18.207  16.165  14.156
  517    HA   LEU  96           HA       LEU  96 -15.363  16.369  14.310
  518    HB2  LEU  96           HB2      LEU  96 -17.185  16.476  16.010
  519    HB3  LEU  96           HB3      LEU  96 -17.445  14.776  15.872
  520    HG   LEU  96           HG       LEU  96 -16.156  15.555  17.892
  521   HD11  LEU  96          HD11      LEU  96 -14.616  13.729  17.997
  522   HD12  LEU  96          HD12      LEU  96 -16.056  13.193  17.116
  523   HD13  LEU  96          HD13      LEU  96 -14.557  13.573  16.237
  524   HD21  LEU  96          HD21      LEU  96 -13.817  15.931  15.983
  525   HD22  LEU  96          HD22      LEU  96 -14.732  17.248  16.756
  526   HD23  LEU  96          HD23      LEU  96 -13.809  16.105  17.748
  527    H    GLU  97           H        GLU  97 -17.473  13.585  13.773
  528    HA   GLU  97           HA       GLU  97 -15.331  11.633  13.734
  529    HB2  GLU  97           HB2      GLU  97 -17.657  11.222  14.556
  530    HB3  GLU  97           HB3      GLU  97 -18.250  11.356  12.904
  531    HG2  GLU  97           HG2      GLU  97 -18.057   9.021  13.653
  532    HG3  GLU  97           HG3      GLU  97 -17.049   9.335  12.253
  533    H    ARG  98           H        ARG  98 -14.757  10.259  12.111
  534    HA   ARG  98           HA       ARG  98 -15.211  10.988   9.247
  535    HB2  ARG  98           HB2      ARG  98 -12.507  10.812  10.652
  536    HB3  ARG  98           HB3      ARG  98 -12.682  10.435   8.942
  537    HG2  ARG  98           HG2      ARG  98 -12.066  12.603   8.768
  538    HG3  ARG  98           HG3      ARG  98 -13.819  12.753   8.721
  539    HD2  ARG  98           HD2      ARG  98 -13.713  13.293  11.231
  540    HD3  ARG  98           HD3      ARG  98 -11.961  13.271  11.084
  541    HE   ARG  98           HE       ARG  98 -12.036  15.360  10.087
  542   HH11  ARG  98          HH12      ARG  98 -15.353  14.110  10.027
  543   HH12  ARG  98          HH11      ARG  98 -15.926  15.636   9.388
  544   HH21  ARG  98          HH22      ARG  98 -12.992  17.240   9.257
  545   HH22  ARG  98          HH21      ARG  98 -14.721  17.224   8.949
  546    H    ILE  99           H        ILE  99 -13.486   8.679  11.328
  547    HA   ILE  99           HA       ILE  99 -14.654   6.391   9.816
  548    HB   ILE  99           HB       ILE  99 -11.739   6.662  10.600
  549   HG12  ILE  99          HG12      ILE  99 -13.104   6.838   7.884
  550   HG13  ILE  99          HG13      ILE  99 -12.177   8.097   8.692
  551   HG21  ILE  99          HG21      ILE  99 -12.673   4.320  10.715
  552   HG22  ILE  99          HG22      ILE  99 -13.222   4.489   9.038
  553   HG23  ILE  99          HG23      ILE  99 -11.489   4.483   9.436
  554   HD11  ILE  99          HD11      ILE  99 -11.037   5.554   7.497
  555   HD12  ILE  99          HD12      ILE  99 -10.822   7.217   6.942
  556   HD13  ILE  99          HD13      ILE  99 -10.113   6.710   8.490
  557    HA   PRO 100           HA       PRO 100 -15.306   5.875  14.288
  558    HB2  PRO 100           HB2      PRO 100 -17.797   4.688  14.262
  559    HB3  PRO 100           HB3      PRO 100 -17.563   6.417  13.888
  560    HG2  PRO 100           HG2      PRO 100 -17.725   4.109  11.919
  561    HG3  PRO 100           HG3      PRO 100 -18.678   5.630  11.913
  562    HD2  PRO 100           HD2      PRO 100 -16.417   5.324  10.426
  563    HD3  PRO 100           HD3      PRO 100 -16.824   6.896  11.186
  564    H    TRP 101           H        TRP 101 -13.755   4.152  12.657
  565    HA   TRP 101           HA       TRP 101 -13.996   1.546  14.100
  566    HB2  TRP 101           HB2      TRP 101 -12.678   1.966  11.411
  567    HB3  TRP 101           HB3      TRP 101 -13.124   0.440  12.162
  568    HD1  TRP 101           HD1      TRP 101 -14.078   2.365   9.378
  569    HE1  TRP 101           HE1      TRP 101 -16.559   2.170   8.701
  570    HE3  TRP 101           HE3      TRP 101 -15.939   0.213  13.654
  571    HZ2  TRP 101           HZ2      TRP 101 -18.986   1.249   9.859
  572    HZ3  TRP 101           HZ3      TRP 101 -18.358  -0.321  13.823
  573    HH2  TRP 101           HH2      TRP 101 -19.897   0.194  11.938
  574    H    VAL 102           H        VAL 102 -12.148   4.366  13.703
  575    HA   VAL 102           HA       VAL 102  -9.540   3.124  14.453
  576    HB   VAL 102           HB       VAL 102 -10.281   5.962  13.641
  577   HG11  VAL 102          HG11      VAL 102  -7.535   4.733  14.146
  578   HG12  VAL 102          HG12      VAL 102  -7.825   6.312  13.384
  579   HG13  VAL 102          HG13      VAL 102  -8.290   6.057  15.064
  580   HG21  VAL 102          HG21      VAL 102  -8.781   3.774  12.126
  581   HG22  VAL 102          HG22      VAL 102 -10.421   4.345  11.763
  582   HG23  VAL 102          HG23      VAL 102  -9.052   5.436  11.557
  583    H    VAL 103           H        VAL 103 -12.102   5.079  15.862
  584    HA   VAL 103           HA       VAL 103 -10.494   5.666  18.230
  585    HB   VAL 103           HB       VAL 103 -13.490   6.040  17.752
  586   HG11  VAL 103          HG11      VAL 103 -13.000   5.939  20.171
  587   HG12  VAL 103          HG12      VAL 103 -11.681   7.116  19.970
  588   HG13  VAL 103          HG13      VAL 103 -13.369   7.595  19.691
  589   HG21  VAL 103          HG21      VAL 103 -12.904   8.438  17.502
  590   HG22  VAL 103          HG22      VAL 103 -11.179   8.032  17.632
  591   HG23  VAL 103          HG23      VAL 103 -12.140   7.460  16.250
  592    H    ARG 104           H        ARG 104 -10.099   4.222  19.759
  593    HA   ARG 104           HA       ARG 104 -12.071   2.097  20.498
  594    HB2  ARG 104           HB2      ARG 104  -9.084   1.705  20.012
  595    HB3  ARG 104           HB3      ARG 104 -10.197   0.461  20.570
  596    HG2  ARG 104           HG2      ARG 104 -10.275   1.791  17.825
  597    HG3  ARG 104           HG3      ARG 104  -9.554   0.231  18.192
  598    HD2  ARG 104           HD2      ARG 104 -11.708  -0.699  18.829
  599    HD3  ARG 104           HD3      ARG 104 -12.507   0.865  18.580
  600    HE   ARG 104           HE       ARG 104 -11.377   0.503  16.149
  601   HH11  ARG 104          HH11      ARG 104 -13.407  -1.700  17.978
  602   HH12  ARG 104          HH12      ARG 104 -13.957  -2.506  16.535
  603   HH21  ARG 104          HH22      ARG 104 -12.071  -0.530  14.421
  604   HH22  ARG 104          HH21      ARG 104 -13.195  -1.872  14.539
  605    H    LYS 105           H        LYS 105 -11.774   1.228  22.591
  606    HA   LYS 105           HA       LYS 105  -9.864   2.379  24.496
  607    HB2  LYS 105           HB2      LYS 105 -11.735   4.057  24.391
  608    HB3  LYS 105           HB3      LYS 105 -12.860   2.797  24.916
  609    HG2  LYS 105           HG2      LYS 105 -11.594   2.543  27.030
  610    HG3  LYS 105           HG3      LYS 105 -10.408   3.743  26.477
  611    HD2  LYS 105           HD2      LYS 105 -12.207   5.454  26.359
  612    HD3  LYS 105           HD3      LYS 105 -13.379   4.279  26.965
  613    HE2  LYS 105           HE2      LYS 105 -10.863   5.178  28.451
  614    HE3  LYS 105           HE3      LYS 105 -12.462   5.886  28.685
  615    HZ1  LYS 105           HZ1      LYS 105 -11.773   3.049  29.232
  616    HZ2  LYS 105           HZ2      LYS 105 -12.027   4.202  30.355
  617    HZ3  LYS 105           HZ3      LYS 105 -13.262   3.703  29.415