*HEADER    TRANSFERASE                             30-APR-04   1T4Y              
*TITLE     SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF                        
*TITLE    2 SYNECHOCOCCUS ELONGATUS SASA (AVERAGE MINIMIZED STRUCTURE)           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ADAPTIVE-RESPONSE SENSORY-KINASE SASA;                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: N-TERMINAL DOMAIN;                                         
*COMPND   5 EC: 2.7.-.-;                                                         
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SYNECHOCOCCUS ELONGATUS;                        
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 STRAIN: PCC 7942;                                                    
*SOURCE   5 GENE: SASA, SARS;                                                    
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET32A+                                   
*KEYWDS    ALPHA/BETA PROTEIN, THIOREDOXIN FOLD                                  
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    I.VAKONAKIS, D.A.KLEWER, A.C.LIWANG                                   
*REVDAT   1   16-NOV-04 1T4Y    0                                                
! A10
assign (resid 10 and name HA ) (resid 11 and name HG# ) 4.0 2.2 1.5
assign (resid 10 and name HB# ) (resid 11 and name HG# ) 3.0 1.2 1.3
assign (resid 10 and name HB# ) (resid 43 and name HG1# ) 2.5 0.7 1.2
assign (resid 10 and name HB# ) (resid 43 and name HA ) 4.0 2.2 1.5

! Q11
assign (resid 11 and name HG# ) (resid 11 and name HA ) 3.0 1.2 0.8
assign (resid 11 and name HA ) (resid 12 and name HD1 ) 2.5 0.7 0.2
assign (resid 11 and name HG# ) (resid 12 and name HD2 ) 4.0 2.2 1.5
assign (resid 11 and name HG# ) (resid 14 and name HD1# ) 4.0 2.2 2.0
assign (resid 11 and name HG# ) (resid 75 and name HG1 ) 4.0 2.2 1.5

! P12
assign (resid 12 and name HB1 ) (resid 14 and name HD2# ) 4.0 2.2 1.5
assign (resid 12 and name HB2 ) (resid 14 and name HD2# ) 4.0 2.2 1.5
assign (resid 12 and name HG# ) (resid 14 and name HD2# ) 4.0 2.2 2.0

! L13
assign (resid 13 and name HA ) (resid 13 and name HD1# ) 4.0 2.2 1.5
assign (resid 13 and name HB1 ) (resid 13 and name HD1# ) 3.0 1.2 0.8
assign (resid 13 and name HB2 ) (resid 13 and name HD1# ) 3.0 1.2 0.8
assign (resid 13 and name HA ) (resid 13 and name HD2# ) 2.5 0.7 0.7
assign (resid 13 and name HG ) (resid 13 and name HA ) 4.0 2.2 1.0
assign (resid 13 and name HD1# ) (resid 45 and name HA ) 3.0 1.2 0.8
assign (resid 13 and name HB1 ) (resid 45 and name HG2# ) 4.0 2.2 1.5
assign (resid 13 and name HB1 ) (resid 45 and name HA ) 4.0 2.2 1.0
assign (resid 13 and name HB2 ) (resid 45 and name HD1# ) 4.0 2.2 1.5
assign (resid 13 and name HB2 ) (resid 45 and name HA ) 4.0 2.2 1.0
assign (resid 13 and name HB2 ) (resid 45 and name HG2# ) 4.0 2.2 1.5
assign (resid 13 and name HG ) (resid 45 and name HG2# ) 4.0 2.2 1.5
assign (resid 13 and name HD1# ) (resid 72 and name HG1 ) 2.5 0.7 0.7
assign (resid 13 and name HD2# ) (resid 72 and name HG2 ) 3.0 1.2 0.8
assign (resid 13 and name HD2# ) (resid 72 and name HD2 ) 4.0 2.2 1.5
assign (resid 13 and name HD2# ) (resid 72 and name HD1 ) 4.0 2.2 1.5
assign (resid 13 and name HA ) (resid 75 and name HD1 ) 3.0 1.2 0.3
assign (resid 13 and name HD2# ) (resid 75 and name HD1 ) 4.0 2.2 1.5
assign (resid 13 and name HD2# ) (resid 75 and name HD2 ) 3.0 1.2 0.8
assign (resid 13 and name HA ) (resid 75 and name HD2 ) 3.0 1.2 0.3
assign (resid 13 and name HD1# ) (resid 97 and name HE3 ) 4.0 2.2 1.5
assign (resid 13 and name HD1# ) (resid 97 and name HZ3 ) 4.0 2.2 1.5
assign (resid 13 and name HD2# ) (resid 97 and name HZ3 ) 4.0 2.2 1.5

! L14
assign (resid 14 and name HA ) (resid 14 and name HG ) 4.0 2.2 1.0
assign (resid 14 and name HA ) (resid 14 and name HD1# ) 4.0 2.2 1.5
assign (resid 14 and name HB2 ) (resid 14 and name HD1# ) 3.0 1.2 0.8
assign (resid 14 and name HB1 ) (resid 14 and name HD1# ) 3.0 1.2 0.8
assign (resid 14 and name HB2 ) (resid 14 and name HD2# ) 3.0 1.2 0.8
assign (resid 14 and name HA ) (resid 14 and name HD2# ) 2.5 0.7 0.7
assign (resid 14 and name HB1 ) (resid 14 and name HD2# ) 3.0 1.2 0.8
assign (resid 14 and name HD2# ) (resid 45 and name HG2# ) 3.0 1.2 1.3
assign (resid 14 and name HD2# ) (resid 46 and name HA ) 4.0 2.2 1.5
assign (resid 14 and name HD2# ) (resid 46 and name HB1 ) 3.0 1.2 0.8
assign (resid 14 and name HD2# ) (resid 46 and name HB2 ) 3.0 1.2 0.8
assign (resid 14 and name HA ) (resid 46 and name HB1 ) 3.0 1.2 0.3
assign (resid 14 and name HA ) (resid 46 and name HB2 ) 4.0 2.2 1.0
assign (resid 14 and name HD1# ) (resid 73 and name HG11 ) 4.0 2.2 1.5
assign (resid 14 and name HB2 ) (resid 73 and name HB ) 4.0 2.2 1.0
assign (resid 14 and name HB1 ) (resid 73 and name HG2# ) 4.0 2.2 1.5
assign (resid 14 and name HB1 ) (resid 73 and name HD1# ) 4.0 2.2 1.5
assign (resid 14 and name HB2 ) (resid 73 and name HG2# ) 4.0 2.2 1.5
assign (resid 14 and name HB2 ) (resid 73 and name HD1# ) 4.0 2.2 1.5
assign (resid 14 and name HB1 ) (resid 73 and name HB ) 4.0 2.2 1.0
assign (resid 14 and name HD1# ) (resid 73 and name HB ) 4.0 2.2 1.5
assign (resid 14 and name HD1# ) (resid 73 and name HG2# ) 4.0 2.2 2.0
assign (resid 14 and name HD1# ) (resid 73 and name HD1# ) 3.0 1.2 1.3

! L15
assign (resid 15 and name HD2# ) (resid 15 and name HA ) 3.0 1.2 0.8
assign (resid 15 and name HB1 ) (resid 15 and name HD1# ) 4.0 2.2 1.5
assign (resid 15 and name HA ) (resid 15 and name HD1# ) 4.0 2.2 1.5
assign (resid 15 and name HD1# ) (resid 15 and name HB2 ) 4.0 2.2 1.5
assign (resid 15 and name HB2 ) (resid 15 and name HD2# ) 4.0 2.2 1.5
assign (resid 15 and name HB1 ) (resid 15 and name HD2# ) 4.0 2.2 1.5
assign (resid 15 and name HD1# ) (resid 45 and name HG2# ) 2.5 0.7 1.2
assign (resid 15 and name HB1 ) (resid 47 and name HA ) 4.0 2.2 1.0
assign (resid 15 and name HD1# ) (resid 47 and name HD2# ) 3.0 1.2 1.3
assign (resid 15 and name HB1 ) (resid 47 and name HD2# ) 3.0 1.2 0.8
assign (resid 15 and name HA ) (resid 47 and name HD2# ) 4.0 2.2 1.5
assign (resid 15 and name HD2# ) (resid 70 and name HD1# ) 2.5 0.7 1.2
assign (resid 15 and name HA ) (resid 72 and name HA ) 3.0 1.2 0.3
assign (resid 15 and name HD2# ) (resid 72 and name HD2 ) 4.0 2.2 1.5
assign (resid 15 and name HD2# ) (resid 72 and name HG2 ) 3.0 1.2 0.8
assign (resid 15 and name HD2# ) (resid 72 and name HA ) 2.5 0.7 0.7
assign (resid 15 and name HD2# ) (resid 72 and name HB2 ) 4.0 2.2 2.5
assign (resid 15 and name HD2# ) (resid 97 and name HZ3 ) 3.0 1.2 0.8
assign (resid 15 and name HD2# ) (resid 97 and name HH2 ) 3.0 1.2 0.8

! Q16
assign (resid 16 and name HA ) (resid 16 and name HG2 ) 4.0 2.2 1.0
assign (resid 16 and name HG1 ) (resid 16 and name HA ) 4.0 2.2 1.0
assign (resid 16 and name HB1 ) (resid 18 and name HE# ) 4.0 2.2 1.0
assign (resid 16 and name HA ) (resid 48 and name HG# ) 4.0 2.2 1.5
assign (resid 16 and name HA ) (resid 48 and name HB1 ) 4.0 2.2 1.0
assign (resid 16 and name HB2 ) (resid 50 and name HD1# ) 4.0 2.2 1.5
assign (resid 16 and name HB1 ) (resid 50 and name HD1# ) 4.0 2.2 1.5
assign (resid 16 and name HG1 ) (resid 50 and name HD1# ) 4.0 2.2 1.5
assign (resid 16 and name HG2 ) (resid 50 and name HD1# ) 4.0 2.2 1.5
assign (resid 16 and name HA ) (resid 50 and name HD1# ) 4.0 2.2 1.5
assign (resid 16 and name HB2 ) (resid 73 and name HD1# ) 4.0 2.2 2.5
assign (resid 16 and name HG2 ) (resid 73 and name HD1# ) 3.0 1.2 0.8

! L17
assign (resid 17 and name HA ) (resid 17 and name HG ) 4.0 2.2 2.0
assign (resid 17 and name HD2# ) (resid 17 and name HA ) 4.0 2.2 1.5
assign (resid 17 and name HD1# ) (resid 17 and name HA ) 3.0 1.2 0.8
assign (resid 17 and name HB1 ) (resid 17 and name HD2# ) 4.0 2.2 1.5
assign (resid 17 and name HD1# ) (resid 18 and name HA ) 4.0 2.2 1.5
assign (resid 17 and name HG ) (resid 19 and name HG1# ) 3.0 1.2 0.8
assign (resid 17 and name HD2# ) (resid 28 and name HG2# ) 3.0 1.2 1.3
assign (resid 17 and name HD2# ) (resid 29 and name HG2# ) 2.5 0.7 1.2
assign (resid 17 and name HD2# ) (resid 29 and name HA ) 3.0 1.2 0.8
assign (resid 17 and name HD1# ) (resid 29 and name HA ) 4.0 2.2 1.5
assign (resid 17 and name HD2# ) (resid 29 and name HG1# ) 2.5 0.7 1.2
assign (resid 17 and name HD2# ) (resid 32 and name HB ) 3.0 1.2 0.8
assign (resid 17 and name HB1 ) (resid 47 and name HD2# ) 4.0 2.2 1.5
assign (resid 17 and name HB2 ) (resid 47 and name HD2# ) 3.0 1.2 0.8
assign (resid 17 and name HD2# ) (resid 49 and name HA ) 4.0 2.2 2.5
assign (resid 17 and name HB1 ) (resid 49 and name HA ) 4.0 2.2 1.0
assign (resid 17 and name HD2# ) (resid 49 and name HG* ) 2.5 0.7 1.2
assign (resid 17 and name HB1 ) (resid 49 and name HG* ) 4.0 2.2 1.5
assign (resid 17 and name HB2 ) (resid 49 and name HA ) 4.0 2.2 1.0
assign (resid 17 and name HD1# ) (resid 68 and name HB1 ) 4.0 2.2 1.5
assign (resid 17 and name HA ) (resid 70 and name HA ) 3.0 1.2 0.3
assign (resid 17 and name HD1# ) (resid 70 and name HA ) 3.0 1.2 0.8
assign (resid 17 and name HA ) (resid 70 and name HB1 ) 4.0 2.2 1.0
assign (resid 17 and name HA ) (resid 70 and name HG ) 4.0 2.2 2.0
assign (resid 17 and name HA ) (resid 70 and name HD2# ) 4.0 2.2 1.5
assign (resid 17 and name HB1 ) (resid 70 and name HD2# ) 4.0 2.2 1.5
assign (resid 17 and name HD1# ) (resid 70 and name HB2 ) 3.0 1.2 0.8
assign (resid 17 and name HD1# ) (resid 70 and name HD2# ) 2.5 0.7 1.2
assign (resid 17 and name HG ) (resid 86 and name HD* ) 4.0 2.2 1.5
assign (resid 17 and name HD1# ) (resid 86 and name HD* ) 2.5 0.7 1.2

! F18
assign (resid 18 and name HB2 ) (resid 18 and name HD# ) 4.0 2.2 1.0
assign (resid 18 and name HB1 ) (resid 18 and name HD# ) 4.0 2.2 1.0
assign (resid 18 and name HD# ) (resid 18 and name HA ) 4.0 2.2 1.0
assign (resid 18 and name HA ) (resid 19 and name HG1# ) 4.0 2.2 1.5
assign (resid 18 and name HA ) (resid 19 and name HG2# ) 4.0 2.2 1.5
assign (resid 18 and name HD# ) (resid 50 and name HG2# ) 4.0 2.2 1.5
assign (resid 18 and name HD# ) (resid 50 and name HD1# ) 4.0 2.2 2.5
assign (resid 18 and name HE# ) (resid 50 and name HG2# ) 4.0 2.2 1.5
assign (resid 18 and name HA ) (resid 50 and name HB ) 3.0 1.2 0.3
assign (resid 18 and name HA ) (resid 50 and name HG2# ) 4.0 2.2 1.5
assign (resid 18 and name HA ) (resid 50 and name HD1# ) 4.0 2.2 1.5
assign (resid 18 and name HE# ) (resid 50 and name HD1# ) 4.0 2.2 2.5
assign (resid 18 and name HZ ) (resid 50 and name HD1# ) 4.0 2.2 1.5
assign (resid 18 and name HD# ) (resid 52 and name HG1# ) 3.0 1.2 0.8
assign (resid 18 and name HD# ) (resid 52 and name HA ) 4.0 2.2 1.0
assign (resid 18 and name HA ) (resid 52 and name HG1# ) 4.0 2.2 1.5
assign (resid 18 and name HB1 ) (resid 52 and name HG1# ) 3.0 1.2 0.8
assign (resid 18 and name HE# ) (resid 52 and name HG1# ) 3.0 1.2 0.8
assign (resid 18 and name HB2 ) (resid 52 and name HG1# ) 4.0 2.2 1.5
assign (resid 18 and name HB1 ) (resid 52 and name HG2# ) 4.0 2.2 1.5
assign (resid 18 and name HA ) (resid 52 and name HG2# ) 4.0 2.2 2.5
assign (resid 18 and name HD# ) (resid 52 and name HG2# ) 4.0 2.2 2.5
assign (resid 18 and name HB2 ) (resid 52 and name HG2# ) 4.0 2.2 2.5
assign (resid 18 and name HE# ) (resid 58 and name HD1# ) 4.0 2.2 2.5
assign (resid 18 and name HE# ) (resid 58 and name HD2# ) 4.0 2.2 1.5
assign (resid 18 and name HZ ) (resid 58 and name HD1# ) 4.0 2.2 1.5
assign (resid 18 and name HD# ) (resid 59 and name HG2# ) 3.0 1.2 0.8
assign (resid 18 and name HE# ) (resid 59 and name HG2# ) 4.0 2.2 1.5
assign (resid 18 and name HZ ) (resid 62 and name HE# ) 4.0 2.2 1.0
assign (resid 18 and name HD# ) (resid 64 and name HD1# ) 4.0 2.2 1.5
assign (resid 18 and name HB1 ) (resid 64 and name HD1# ) 4.0 2.2 1.5
assign (resid 18 and name HD# ) (resid 64 and name HD2# ) 4.0 2.2 2.5
assign (resid 18 and name HB2 ) (resid 64 and name HD1# ) 4.0 2.2 1.5
assign (resid 18 and name HA ) (resid 67 and name HG2# ) 4.0 2.2 2.5
assign (resid 18 and name HB1 ) (resid 67 and name HG2# ) 3.0 1.2 0.8
assign (resid 18 and name HB2 ) (resid 67 and name HG2# ) 4.0 2.2 1.5
assign (resid 18 and name HD# ) (resid 69 and name HB# ) 4.0 2.2 1.5
assign (resid 18 and name HB2 ) (resid 69 and name HB# ) 4.0 2.2 1.5
assign (resid 18 and name HB1 ) (resid 69 and name HB# ) 4.0 2.2 2.5
assign (resid 18 and name HE# ) (resid 71 and name HG2# ) 4.0 2.2 1.5
assign (resid 18 and name HD# ) (resid 71 and name HG2# ) 4.0 2.2 1.5

! V19
assign (resid 19 and name HA ) (resid 19 and name HG1# ) 2.5 0.7 0.7
assign (resid 19 and name HG2# ) (resid 19 and name HA ) 3.0 1.2 0.8
assign (resid 19 and name HB ) (resid 25 and name HA ) 4.0 2.2 1.0
assign (resid 19 and name HG2# ) (resid 25 and name HA ) 4.0 2.2 2.5
assign (resid 19 and name HB ) (resid 25 and name HB# ) 4.0 2.2 1.5
assign (resid 19 and name HB ) (resid 26 and name HA ) 4.0 2.2 2.0
assign (resid 19 and name HG2# ) (resid 29 and name HG2# ) 3.0 1.2 1.3
assign (resid 19 and name HG2# ) (resid 49 and name HA ) 4.0 2.2 1.5
assign (resid 19 and name HG2# ) (resid 51 and name HA ) 2.5 0.7 0.7
assign (resid 19 and name HG2# ) (resid 51 and name HB1 ) 4.0 2.2 1.5
assign (resid 19 and name HG2# ) (resid 51 and name HB2 ) 4.0 2.2 1.5
assign (resid 19 and name HG2# ) (resid 52 and name HG1# ) 4.0 2.2 2.0
assign (resid 19 and name HA ) (resid 52 and name HG1# ) 4.0 2.2 1.5
assign (resid 19 and name HA ) (resid 67 and name HB ) 3.0 1.2 0.3
assign (resid 19 and name HA ) (resid 67 and name HG2# ) 3.0 1.2 0.8
assign (resid 19 and name HG1# ) (resid 68 and name HG# ) 4.0 2.2 2.0
assign (resid 19 and name HG1# ) (resid 68 and name HB1 ) 3.0 1.2 0.8
assign (resid 19 and name HG1# ) (resid 68 and name HA ) 4.0 2.2 1.5
assign (resid 19 and name HG1# ) (resid 68 and name HB2 ) 3.0 1.2 0.8
assign (resid 19 and name HA ) (resid 68 and name HA ) 3.0 1.2 0.3
assign (resid 19 and name HA ) (resid 68 and name HG# ) 4.0 2.2 2.5
assign (resid 19 and name HA ) (resid 68 and name HB2 ) 4.0 2.2 1.0
assign (resid 19 and name HA ) (resid 68 and name HB1 ) 4.0 2.2 1.0

! D20
assign (resid 20 and name HA ) (resid 21 and name HG2# ) 4.0 2.2 1.5
assign (resid 20 and name HA ) (resid 52 and name HG1# ) 4.0 2.2 1.5
assign (resid 20 and name HA ) (resid 52 and name HG2# ) 2.5 0.7 0.7
assign (resid 20 and name HB2 ) (resid 52 and name HG2# ) 4.0 2.2 1.5
assign (resid 20 and name HB1 ) (resid 52 and name HG2# ) 3.0 1.2 0.8
assign (resid 20 and name HA ) (resid 67 and name HG2# ) 4.0 2.2 1.5

! T21
assign (resid 21 and name HA ) (resid 21 and name HG2# ) 2.5 0.7 0.7
assign (resid 21 and name HG2# ) (resid 53 and name HB# ) 3.0 1.2 1.3

! R22
assign (resid 22 and name HD1 ) (resid 22 and name HB# ) 4.0 2.2 1.5
assign (resid 22 and name HD2 ) (resid 22 and name HB# ) 4.0 2.2 1.5
assign (resid 22 and name HA ) (resid 22 and name HG# ) 4.0 2.2 1.5
assign (resid 22 and name HA ) (resid 22 and name HD2 ) 4.0 2.2 1.0
assign (resid 22 and name HD1 ) (resid 22 and name HA ) 4.0 2.2 2.0
assign (resid 22 and name HG# ) (resid 23 and name HD2 ) 4.0 2.2 1.5
assign (resid 22 and name HA ) (resid 23 and name HD2 ) 3.0 1.2 0.3
assign (resid 22 and name HA ) (resid 23 and name HD1 ) 3.0 1.2 0.3
assign (resid 22 and name HB# ) (resid 23 and name HD1 ) 3.0 1.2 0.8
assign (resid 22 and name HG# ) (resid 23 and name HD1 ) 4.0 2.2 1.5
assign (resid 22 and name HD2 ) (resid 24 and name HD2# ) 4.0 2.2 1.5

! P23
assign (resid 23 and name HD1 ) (resid 26 and name HB# ) 4.0 2.2 1.5
assign (resid 23 and name HA ) (resid 26 and name HB# ) 4.0 2.2 1.5
assign (resid 23 and name HA ) (resid 26 and name HG# ) 3.0 1.2 0.8
assign (resid 23 and name HG2 ) (resid 27 and name HD2 ) 4.0 2.2 2.0

! L24
assign (resid 24 and name HA ) (resid 24 and name HG ) 4.0 2.2 1.0
assign (resid 24 and name HB1 ) (resid 24 and name HD2# ) 2.5 0.7 0.7
assign (resid 24 and name HB2 ) (resid 24 and name HD2# ) 3.0 1.2 0.8
assign (resid 24 and name HA ) (resid 24 and name HD1# ) 2.5 0.7 0.7
assign (resid 24 and name HB2 ) (resid 24 and name HD1# ) 2.5 0.7 0.7
assign (resid 24 and name HB1 ) (resid 24 and name HD1# ) 3.0 1.2 0.8
assign (resid 24 and name HD2# ) (resid 24 and name HA ) 3.0 1.2 0.8
assign (resid 24 and name HA ) (resid 27 and name HB# ) 3.0 1.2 0.8
assign (resid 24 and name HD1# ) (resid 27 and name HD2 ) 4.0 2.2 1.5
assign (resid 24 and name HD1# ) (resid 27 and name HB# ) 4.0 2.2 2.0
assign (resid 24 and name HA ) (resid 27 and name HD2 ) 3.0 1.2 0.3
assign (resid 24 and name HG ) (resid 28 and name HD1# ) 3.0 1.2 0.8
assign (resid 24 and name HD1# ) (resid 28 and name HD1# ) 3.0 1.2 1.3
assign (resid 24 and name HD1# ) (resid 28 and name HG11 ) 3.0 1.2 0.8
assign (resid 24 and name HB1 ) (resid 28 and name HD1# ) 4.0 2.2 1.5
assign (resid 24 and name HD2# ) (resid 68 and name HD# ) 4.0 2.2 2.0
assign (resid 24 and name HD2# ) (resid 84 and name HB ) 4.0 2.2 1.5
assign (resid 24 and name HD1# ) (resid 84 and name HA ) 4.0 2.2 1.5
assign (resid 24 and name HD2# ) (resid 84 and name HA ) 4.0 2.2 1.5

! S25
assign (resid 25 and name HA ) (resid 28 and name HG2# ) 4.0 2.2 1.5
assign (resid 25 and name HA ) (resid 28 and name HD1# ) 4.0 2.2 1.5
assign (resid 25 and name HA ) (resid 28 and name HG11 ) 4.0 2.2 1.0
assign (resid 25 and name HA ) (resid 28 and name HB ) 3.0 1.2 0.3
assign (resid 25 and name HA ) (resid 29 and name HG2# ) 4.0 2.2 1.5
assign (resid 25 and name HA ) (resid 68 and name HG# ) 4.0 2.2 1.5
assign (resid 25 and name HA ) (resid 68 and name HB1 ) 4.0 2.2 2.0

! Q26
assign (resid 26 and name HG# ) (resid 26 and name HA ) 2.5 0.7 0.7
assign (resid 26 and name HB# ) (resid 27 and name HA ) 4.0 2.2 2.5
assign (resid 26 and name HB# ) (resid 27 and name HD2 ) 4.0 2.2 2.5
assign (resid 26 and name HA ) (resid 29 and name HB ) 3.0 1.2 0.3
assign (resid 26 and name HA ) (resid 29 and name HG2# ) 3.0 1.2 0.8
assign (resid 26 and name HB# ) (resid 29 and name HG2# ) 4.0 2.2 2.0
assign (resid 26 and name HA ) (resid 29 and name HG1# ) 3.0 1.2 0.8
assign (resid 26 and name HG# ) (resid 29 and name HG2# ) 4.0 2.2 3.0

! H27
assign (resid 27 and name HD2 ) (resid 27 and name HB# ) 4.0 2.2 1.5
assign (resid 27 and name HB# ) (resid 28 and name HA ) 4.0 2.2 2.5
assign (resid 27 and name HA ) (resid 30 and name HB# ) 3.0 1.2 0.8
assign (resid 27 and name HA ) (resid 30 and name HG# ) 3.0 1.2 0.8

! I28
assign (resid 28 and name HA ) (resid 28 and name HG11 ) 3.0 1.2 0.3
assign (resid 28 and name HG12 ) (resid 28 and name HA ) 3.0 1.2 0.3
assign (resid 28 and name HG2# ) (resid 28 and name HA ) 2.5 0.7 0.7
assign (resid 28 and name HD1# ) (resid 28 and name HA ) 3.0 1.2 0.8
assign (resid 28 and name HD1# ) (resid 28 and name HB ) 3.0 1.2 0.8
assign (resid 28 and name HG2# ) (resid 29 and name HA ) 4.0 2.2 1.5
assign (resid 28 and name HG2# ) (resid 29 and name HG2# ) 4.0 2.2 2.0
assign (resid 28 and name HB ) (resid 29 and name HG2# ) 4.0 2.2 1.5
assign (resid 28 and name HA ) (resid 31 and name HB# ) 3.0 1.2 0.8
assign (resid 28 and name HA ) (resid 31 and name HG1 ) 4.0 2.2 1.0
assign (resid 28 and name HA ) (resid 31 and name HD# ) 3.0 1.2 0.8
assign (resid 28 and name HG2# ) (resid 31 and name HD# ) 4.0 2.2 2.0
assign (resid 28 and name HD1# ) (resid 31 and name HD# ) 4.0 2.2 2.0
assign (resid 28 and name HA ) (resid 32 and name HG2# ) 4.0 2.2 1.5
assign (resid 28 and name HG2# ) (resid 68 and name HG# ) 3.0 1.2 1.3
assign (resid 28 and name HD1# ) (resid 68 and name HG# ) 3.0 1.2 1.3
assign (resid 28 and name HG2# ) (resid 68 and name HB2 ) 4.0 2.2 1.5
assign (resid 28 and name HG2# ) (resid 68 and name HB1 ) 4.0 2.2 1.5
assign (resid 28 and name HB ) (resid 68 and name HG# ) 4.0 2.2 2.5
assign (resid 28 and name HD1# ) (resid 68 and name HD# ) 4.0 2.2 2.0
assign (resid 28 and name HD1# ) (resid 84 and name HA ) 3.0 1.2 0.8
assign (resid 28 and name HG2# ) (resid 86 and name HD* ) 2.5 0.7 1.2
assign (resid 28 and name HD1# ) (resid 86 and name HD* ) 3.0 1.2 1.3
assign (resid 28 and name HD1# ) (resid 86 and name HB1 ) 4.0 2.2 2.5
assign (resid 28 and name HG2# ) (resid 87 and name HG2# ) 2.5 0.7 1.2
assign (resid 28 and name HD1# ) (resid 87 and name HG2# ) 3.0 1.2 1.3
assign (resid 28 and name HG11 ) (resid 87 and name HG2# ) 4.0 2.2 1.5
assign (resid 28 and name HA ) (resid 87 and name HG2# ) 3.0 1.2 0.8
assign (resid 28 and name HG12 ) (resid 87 and name HG2# ) 3.0 1.2 0.8

! V29
assign (resid 29 and name HG2# ) (resid 29 and name HA ) 2.5 0.7 0.7
assign (resid 29 and name HG1# ) (resid 29 and name HA ) 2.5 0.7 0.7
assign (resid 29 and name HG1# ) (resid 30 and name HG# ) 3.0 1.2 1.3
assign (resid 29 and name HG1# ) (resid 30 and name HA ) 3.0 1.2 0.8
assign (resid 29 and name HA ) (resid 32 and name HB ) 3.0 1.2 0.3
assign (resid 29 and name HA ) (resid 32 and name HG2# ) 3.0 1.2 0.8
assign (resid 29 and name HA ) (resid 32 and name HG1# ) 3.0 1.2 0.8
assign (resid 29 and name HG1# ) (resid 33 and name HD# ) 3.0 1.2 1.3
assign (resid 29 and name HG1# ) (resid 33 and name HE2 ) 2.5 0.7 0.7
assign (resid 29 and name HG1# ) (resid 33 and name HE1 ) 2.5 0.7 0.7
assign (resid 29 and name HG1# ) (resid 47 and name HD1# ) 2.5 0.7 1.2
assign (resid 29 and name HG1# ) (resid 47 and name HD2# ) 3.0 1.2 1.3
assign (resid 29 and name HG1# ) (resid 47 and name HG ) 4.0 2.2 1.5
assign (resid 29 and name HG2# ) (resid 49 and name HB ) 4.0 2.2 1.5

! Q30
assign (resid 30 and name HG# ) (resid 30 and name HA ) 2.5 0.7 0.7
assign (resid 30 and name HG# ) (resid 31 and name HG1 ) 4.0 2.2 1.5
assign (resid 30 and name HG# ) (resid 31 and name HA ) 4.0 2.2 2.5
assign (resid 30 and name HA ) (resid 33 and name HB2 ) 3.0 1.2 0.3
assign (resid 30 and name HA ) (resid 33 and name HB1 ) 4.0 2.2 1.0
assign (resid 30 and name HA ) (resid 33 and name HD# ) 3.0 1.2 0.8

! R31
assign (resid 31 and name HD# ) (resid 31 and name HB# ) 3.0 1.2 1.3
assign (resid 31 and name HA ) (resid 31 and name HG1 ) 3.0 1.2 0.3
assign (resid 31 and name HA ) (resid 31 and name HG2 ) 3.0 1.2 0.3
assign (resid 31 and name HA ) (resid 31 and name HD# ) 3.0 1.2 0.8
assign (resid 31 and name HA ) (resid 34 and name HB2 ) 3.0 1.2 0.3
assign (resid 31 and name HA ) (resid 34 and name HB1 ) 4.0 2.2 1.0
assign (resid 31 and name HB# ) (resid 35 and name HD1# ) 4.0 2.2 2.0
assign (resid 31 and name HG1 ) (resid 35 and name HD1# ) 4.0 2.2 1.5
assign (resid 31 and name HD# ) (resid 35 and name HD1# ) 4.0 2.2 2.0
assign (resid 31 and name HB# ) (resid 87 and name HG2# ) 2.5 0.7 1.2
assign (resid 31 and name HG1 ) (resid 87 and name HG2# ) 3.0 1.2 0.8
assign (resid 31 and name HG2 ) (resid 87 and name HG2# ) 3.0 1.2 0.8
assign (resid 31 and name HD# ) (resid 87 and name HG2# ) 3.0 1.2 1.3
assign (resid 31 and name HA ) (resid 87 and name HG2# ) 4.0 2.2 1.5

! V32
assign (resid 32 and name HG1# ) (resid 32 and name HA ) 3.0 1.2 0.8
assign (resid 32 and name HG2# ) (resid 32 and name HA ) 2.5 0.7 0.7
assign (resid 32 and name HG1# ) (resid 33 and name HA ) 4.0 2.2 1.5
assign (resid 32 and name HA ) (resid 35 and name HD1# ) 3.0 1.2 0.8
assign (resid 32 and name HA ) (resid 35 and name HB ) 3.0 1.2 0.3
assign (resid 32 and name HA ) (resid 35 and name HG2# ) 4.0 2.2 1.5
assign (resid 32 and name HA ) (resid 36 and name HG ) 4.0 2.2 1.0
assign (resid 32 and name HG1# ) (resid 36 and name HD1# ) 2.5 0.7 1.2
assign (resid 32 and name HB ) (resid 47 and name HD1# ) 4.0 2.2 1.5
assign (resid 32 and name HG1# ) (resid 47 and name HD1# ) 2.5 0.7 1.2
assign (resid 32 and name HG1# ) (resid 47 and name HD2# ) 3.0 1.2 1.3
assign (resid 32 and name HG1# ) (resid 70 and name HD1# ) 4.0 2.2 2.0
assign (resid 32 and name HG1# ) (resid 70 and name HD2# ) 3.0 1.2 1.3
assign (resid 32 and name HG2# ) (resid 86 and name HD* ) 3.0 1.2 1.3
assign (resid 32 and name HA ) (resid 87 and name HG2# ) 4.0 2.2 1.5
assign (resid 32 and name HG2# ) (resid 87 and name HG2# ) 2.5 0.7 1.2
assign (resid 32 and name HA ) (resid 90 and name HD2# ) 3.0 1.2 0.8
assign (resid 32 and name HG1# ) (resid 90 and name HD2# ) 2.5 0.7 1.2
assign (resid 32 and name HG2# ) (resid 90 and name HB2 ) 4.0 2.2 1.5

! K33
assign (resid 33 and name HA ) (resid 33 and name HD# ) 3.0 1.2 0.8
assign (resid 33 and name HE1 ) (resid 33 and name HG1 ) 4.0 2.2 1.0
assign (resid 33 and name HE2 ) (resid 33 and name HG1 ) 4.0 2.2 1.0
assign (resid 33 and name HA ) (resid 33 and name HG1 ) 4.0 2.2 1.0
assign (resid 33 and name HE1 ) (resid 33 and name HG2 ) 4.0 2.2 1.0
assign (resid 33 and name HA ) (resid 33 and name HG2 ) 3.0 1.2 0.3
assign (resid 33 and name HE2 ) (resid 33 and name HG2 ) 4.0 2.2 1.0
assign (resid 33 and name HA ) (resid 36 and name HD1# ) 3.0 1.2 0.8
assign (resid 33 and name HA ) (resid 36 and name HB2 ) 4.0 2.2 1.0
assign (resid 33 and name HA ) (resid 36 and name HB1 ) 4.0 2.2 1.0
assign (resid 33 and name HD# ) (resid 47 and name HD1# ) 3.0 1.2 1.3
assign (resid 33 and name HE2 ) (resid 47 and name HD1# ) 3.0 1.2 0.8
assign (resid 33 and name HA ) (resid 47 and name HD1# ) 3.0 1.2 0.8
assign (resid 33 and name HE1 ) (resid 47 and name HD1# ) 3.0 1.2 0.8

! N34
assign (resid 34 and name HB1 ) (resid 35 and name HA ) 4.0 2.2 2.0
assign (resid 34 and name HB1 ) (resid 37 and name HB# ) 4.0 2.2 2.5
assign (resid 34 and name HA ) (resid 37 and name HB# ) 2.5 0.7 0.7
assign (resid 34 and name HB2 ) (resid 37 and name HB# ) 4.0 2.2 2.5

! I35
assign (resid 35 and name HA ) (resid 35 and name HG11 ) 3.0 1.2 0.3
assign (resid 35 and name HA ) (resid 35 and name HG12 ) 3.0 1.2 0.3
assign (resid 35 and name HG2# ) (resid 35 and name HA ) 3.0 1.2 0.8
assign (resid 35 and name HD1# ) (resid 35 and name HA ) 3.0 1.2 0.8
assign (resid 35 and name HD1# ) (resid 35 and name HB ) 3.0 1.2 0.8
assign (resid 35 and name HB ) (resid 36 and name HG ) 4.0 2.2 1.0
assign (resid 35 and name HG2# ) (resid 36 and name HA ) 4.0 2.2 1.5
assign (resid 35 and name HA ) (resid 38 and name HB# ) 3.0 1.2 0.8
assign (resid 35 and name HG2# ) (resid 38 and name HB# ) 4.0 2.2 2.0
assign (resid 35 and name HD1# ) (resid 87 and name HB ) 2.5 0.7 0.7
assign (resid 35 and name HD1# ) (resid 87 and name HA ) 4.0 2.2 1.5
assign (resid 35 and name HD1# ) (resid 87 and name HG2# ) 3.0 1.2 1.3
assign (resid 35 and name HD1# ) (resid 90 and name HD2# ) 3.0 1.2 1.3
assign (resid 35 and name HG2# ) (resid 90 and name HD2# ) 3.0 1.2 1.3
assign (resid 35 and name HB ) (resid 90 and name HD2# ) 4.0 2.2 1.5
assign (resid 35 and name HG2# ) (resid 90 and name HG ) 3.0 1.2 0.8
assign (resid 35 and name HG2# ) (resid 91 and name HB# ) 3.0 1.2 1.3
assign (resid 35 and name HD1# ) (resid 91 and name HB# ) 3.0 1.2 1.3
assign (resid 35 and name HG2# ) (resid 91 and name HA ) 3.0 1.2 0.8
assign (resid 35 and name HD1# ) (resid 91 and name HA ) 4.0 2.2 1.5
assign (resid 35 and name HG2# ) (resid 94 and name HD2# ) 3.0 1.2 1.3

! L36
assign (resid 36 and name HB1 ) (resid 36 and name HD1# ) 3.0 1.2 0.8
assign (resid 36 and name HB2 ) (resid 36 and name HD1# ) 3.0 1.2 0.8
assign (resid 36 and name HA ) (resid 36 and name HG ) 4.0 2.2 2.0
assign (resid 36 and name HA ) (resid 36 and name HD2# ) 2.5 0.7 0.7
assign (resid 36 and name HA ) (resid 39 and name HG* ) 2.5 0.7 0.7
assign (resid 36 and name HD1# ) (resid 45 and name HG2# ) 3.0 1.2 1.3
assign (resid 36 and name HD2# ) (resid 45 and name HD1# ) 2.5 0.7 1.2
assign (resid 36 and name HA ) (resid 45 and name HD1# ) 4.0 2.2 1.5
assign (resid 36 and name HD1# ) (resid 47 and name HD2# ) 3.0 1.2 1.3
assign (resid 36 and name HA ) (resid 94 and name HD2# ) 3.0 1.2 0.8
assign (resid 36 and name HD2# ) (resid 94 and name HA ) 4.0 2.2 1.5

! A37
assign (resid 37 and name HA ) (resid 40 and name HG# ) 4.0 2.2 1.5

! A38
assign (resid 38 and name HB# ) (resid 39 and name HA ) 4.0 2.2 1.5

! V39
assign (resid 39 and name HA ) (resid 39 and name HG* ) 2.5 0.7 0.7
assign (resid 39 and name HG* ) (resid 40 and name HG# ) 4.0 2.2 2.0
assign (resid 39 and name HG* ) (resid 41 and name HA ) 4.0 2.2 1.5
assign (resid 39 and name HG* ) (resid 41 and name HB# ) 2.5 0.7 1.2
assign (resid 39 and name HB ) (resid 45 and name HD1# ) 4.0 2.2 1.5
assign (resid 39 and name HG* ) (resid 45 and name HD1# ) 2.5 0.7 1.2
assign (resid 39 and name HG* ) (resid 94 and name HD2# ) 2.5 0.7 1.2
assign (resid 39 and name HG* ) (resid 94 and name HG ) 4.0 2.2 1.5
assign (resid 39 and name HB ) (resid 98 and name HD1# ) 4.0 2.2 1.5
assign (resid 39 and name HG* ) (resid 98 and name HD1# ) 2.5 0.7 1.2

! E40
assign (resid 40 and name HA ) (resid 40 and name HG# ) 2.5 0.7 0.7
assign (resid 40 and name HB# ) (resid 41 and name HB# ) 4.0 2.2 2.0
assign (resid 40 and name HA ) (resid 41 and name HB# ) 4.0 2.2 1.5
assign (resid 40 and name HA ) (resid 45 and name HD1# ) 4.0 2.2 1.5

! A41
assign (resid 41 and name HB# ) (resid 42 and name HA ) 4.0 2.2 2.5
assign (resid 41 and name HB# ) (resid 45 and name HD1# ) 3.0 1.2 1.3
assign (resid 41 and name HB# ) (resid 98 and name HD1# ) 3.0 1.2 1.3
assign (resid 41 and name HB# ) (resid 98 and name HD2# ) 3.0 1.2 1.3

! T42
assign (resid 42 and name HA ) (resid 42 and name HG2# ) 2.5 0.7 0.7
assign (resid 42 and name HB ) (resid 43 and name HG2# ) 4.0 2.2 1.5

! V43
assign (resid 43 and name HA ) (resid 43 and name HG1# ) 2.5 0.7 0.7
assign (resid 43 and name HG2# ) (resid 43 and name HA ) 3.0 1.2 0.8
assign (resid 43 and name HA ) (resid 44 and name HD2 ) 3.0 1.2 0.3
assign (resid 43 and name HG2# ) (resid 44 and name HD2 ) 4.0 2.2 2.5
assign (resid 43 and name HA ) (resid 44 and name HG# ) 4.0 2.2 1.5
assign (resid 43 and name HA ) (resid 44 and name HD1 ) 3.0 1.2 0.3
assign (resid 43 and name HG2# ) (resid 98 and name HA ) 4.0 2.2 1.5

! P44

! I45
assign (resid 45 and name HA ) (resid 45 and name HG11 ) 4.0 2.2 1.0
assign (resid 45 and name HA ) (resid 45 and name HG12 ) 4.0 2.2 1.0
assign (resid 45 and name HD1# ) (resid 45 and name HB ) 3.0 1.2 0.8
assign (resid 45 and name HG2# ) (resid 45 and name HA ) 3.0 1.2 0.8
assign (resid 45 and name HD1# ) (resid 45 and name HA ) 4.0 2.2 1.5
assign (resid 45 and name HG2# ) (resid 47 and name HD2# ) 4.0 2.2 2.0
assign (resid 45 and name HG2# ) (resid 72 and name HG1 ) 4.0 2.2 1.5
assign (resid 45 and name HD1# ) (resid 94 and name HD2# ) 3.0 1.2 1.3

! S46

! L47
assign (resid 47 and name HD1# ) (resid 47 and name HA ) 3.0 1.2 0.8
assign (resid 47 and name HD2# ) (resid 47 and name HA ) 3.0 1.2 0.8
assign (resid 47 and name HG ) (resid 47 and name HA ) 4.0 2.2 1.0
assign (resid 47 and name HB1 ) (resid 47 and name HD1# ) 3.0 1.2 0.8
assign (resid 47 and name HB1 ) (resid 47 and name HD2# ) 3.0 1.2 0.8
assign (resid 47 and name HD1# ) (resid 49 and name HA ) 4.0 2.2 2.5
assign (resid 47 and name HD2# ) (resid 49 and name HA ) 4.0 2.2 2.5
assign (resid 47 and name HD2# ) (resid 70 and name HD1# ) 3.0 1.2 1.3
assign (resid 47 and name HD2# ) (resid 70 and name HD2# ) 3.0 1.2 1.3

! Q48
assign (resid 48 and name HG# ) (resid 48 and name HA ) 3.0 1.2 0.8
assign (resid 48 and name HB2 ) (resid 50 and name HD1# ) 4.0 2.2 1.5

! V49
assign (resid 49 and name HA ) (resid 49 and name HG* ) 2.5 0.7 0.7
assign (resid 49 and name HB ) (resid 51 and name HA ) 4.0 2.2 2.0
assign (resid 49 and name HG* ) (resid 51 and name HA ) 3.0 1.2 0.8

! I50
assign (resid 50 and name HA ) (resid 50 and name HG11 ) 3.0 1.2 0.3
assign (resid 50 and name HA ) (resid 50 and name HG12 ) 3.0 1.2 0.3
assign (resid 50 and name HD1# ) (resid 50 and name HB ) 3.0 1.2 0.8
assign (resid 50 and name HG2# ) (resid 50 and name HA ) 2.5 0.7 0.7
assign (resid 50 and name HD1# ) (resid 50 and name HA ) 3.0 1.2 0.8
assign (resid 50 and name HG2# ) (resid 52 and name HA ) 4.0 2.2 1.5
assign (resid 50 and name HG2# ) (resid 55 and name HB2 ) 4.0 2.2 1.5
assign (resid 50 and name HG2# ) (resid 55 and name HB1 ) 4.0 2.2 1.5
assign (resid 50 and name HG2# ) (resid 55 and name HG# ) 3.0 1.2 1.3
assign (resid 50 and name HD1# ) (resid 58 and name HD2# ) 3.0 1.2 1.3
assign (resid 50 and name HD1# ) (resid 58 and name HD1# ) 3.0 1.2 1.3
assign (resid 50 and name HG2# ) (resid 58 and name HD1# ) 4.0 2.2 2.0
assign (resid 50 and name HG2# ) (resid 58 and name HB2 ) 4.0 2.2 2.5
assign (resid 50 and name HD1# ) (resid 71 and name HB ) 4.0 2.2 1.5

! N51
assign (resid 51 and name HB1 ) (resid 53 and name HB# ) 4.0 2.2 1.5

! V52
assign (resid 52 and name HG2# ) (resid 52 and name HA ) 3.0 1.2 0.8
assign (resid 52 and name HG1# ) (resid 52 and name HA ) 2.5 0.7 0.7
assign (resid 52 and name HG1# ) (resid 53 and name HA ) 4.0 2.2 1.5
assign (resid 52 and name HG2# ) (resid 53 and name HA ) 4.0 2.2 1.5
assign (resid 52 and name HA ) (resid 59 and name HG2# ) 2.5 0.7 0.7
assign (resid 52 and name HG1# ) (resid 64 and name HD1# ) 4.0 2.2 2.0
assign (resid 52 and name HG1# ) (resid 67 and name HB ) 4.0 2.2 1.5
assign (resid 52 and name HG1# ) (resid 68 and name HA ) 4.0 2.2 2.5

! A53
assign (resid 53 and name HB# ) (resid 54 and name HA ) 4.0 2.2 1.5

! D54
assign (resid 54 and name HA ) (resid 55 and name HA ) 4.0 2.2 1.0
assign (resid 54 and name HB# ) (resid 55 and name HG# ) 4.0 2.2 2.0

! Q55
assign (resid 55 and name HG# ) (resid 55 and name HA ) 3.0 1.2 0.8
assign (resid 55 and name HA ) (resid 56 and name HD1 ) 3.0 1.2 0.3
assign (resid 55 and name HA ) (resid 56 and name HD2 ) 3.0 1.2 0.3
assign (resid 55 and name HA ) (resid 57 and name HB1 ) 4.0 2.2 1.0
assign (resid 55 and name HG# ) (resid 58 and name HD1# ) 3.0 1.2 1.3

! P56
assign (resid 56 and name HA ) (resid 59 and name HB ) 3.0 1.2 0.3
assign (resid 56 and name HA ) (resid 59 and name HG2# ) 3.0 1.2 0.8
assign (resid 56 and name HA ) (resid 59 and name HG1# ) 4.0 2.2 1.5

! Q57
assign (resid 57 and name HA ) (resid 57 and name HG1 ) 3.0 1.2 0.3
assign (resid 57 and name HA ) (resid 57 and name HG2 ) 3.0 1.2 0.3
assign (resid 57 and name HG2 ) (resid 58 and name HD1# ) 4.0 2.2 1.5
assign (resid 57 and name HA ) (resid 60 and name HB# ) 3.0 1.2 0.8

! L58
assign (resid 58 and name HB1 ) (resid 58 and name HD2# ) 3.0 1.2 0.8
assign (resid 58 and name HA ) (resid 58 and name HD2# ) 4.0 2.2 1.5
assign (resid 58 and name HD1# ) (resid 58 and name HB1 ) 3.0 1.2 0.8
assign (resid 58 and name HD1# ) (resid 58 and name HB2 ) 3.0 1.2 0.8
assign (resid 58 and name HG ) (resid 58 and name HA ) 4.0 2.2 1.0
assign (resid 58 and name HD1# ) (resid 58 and name HA ) 3.0 1.2 0.8
assign (resid 58 and name HG ) (resid 59 and name HG2# ) 4.0 2.2 1.5
assign (resid 58 and name HD1# ) (resid 61 and name HD# ) 4.0 2.2 1.5
assign (resid 58 and name HD1# ) (resid 61 and name HB1 ) 4.0 2.2 1.5
assign (resid 58 and name HD1# ) (resid 61 and name HB2 ) 4.0 2.2 1.5
assign (resid 58 and name HA ) (resid 61 and name HB2 ) 4.0 2.2 1.0
assign (resid 58 and name HA ) (resid 61 and name HB1 ) 4.0 2.2 1.0
assign (resid 58 and name HD2# ) (resid 62 and name HE# ) 4.0 2.2 1.5
assign (resid 58 and name HD1# ) (resid 62 and name HE# ) 3.0 1.2 0.8
assign (resid 58 and name HG ) (resid 62 and name HE# ) 4.0 2.2 1.0

! V59
assign (resid 59 and name HG2# ) (resid 59 and name HA ) 3.0 1.2 0.8
assign (resid 59 and name HG1# ) (resid 59 and name HA ) 3.0 1.2 0.8
assign (resid 59 and name HG1# ) (resid 60 and name HA ) 3.0 1.2 0.8
assign (resid 59 and name HG1# ) (resid 60 and name HG1 ) 4.0 2.2 1.5
assign (resid 59 and name HG1# ) (resid 60 and name HG2 ) 4.0 2.2 1.5
assign (resid 59 and name HG1# ) (resid 62 and name HB1 ) 4.0 2.2 1.5
assign (resid 59 and name HA ) (resid 64 and name HD2# ) 4.0 2.2 1.5
assign (resid 59 and name HA ) (resid 64 and name HG ) 4.0 2.2 2.0
assign (resid 59 and name HA ) (resid 64 and name HD1# ) 3.0 1.2 0.8
assign (resid 59 and name HA ) (resid 64 and name HB1 ) 4.0 2.2 2.0
assign (resid 59 and name HG1# ) (resid 64 and name HD1# ) 2.5 0.7 1.2
assign (resid 59 and name HG2# ) (resid 64 and name HD1# ) 3.0 1.2 1.3
assign (resid 59 and name HG2# ) (resid 64 and name HB1 ) 4.0 2.2 1.5
assign (resid 59 and name HB ) (resid 64 and name HD2# ) 4.0 2.2 2.5
assign (resid 59 and name HG1# ) (resid 64 and name HB1 ) 3.0 1.2 0.8
assign (resid 59 and name HG1# ) (resid 64 and name HA ) 4.0 2.2 1.5
assign (resid 59 and name HG1# ) (resid 65 and name HA ) 2.5 0.7 0.7
assign (resid 59 and name HG1# ) (resid 67 and name HG2# ) 2.5 0.7 1.2

! E60
assign (resid 60 and name HG1 ) (resid 60 and name HA ) 3.0 1.2 0.3
assign (resid 60 and name HA ) (resid 60 and name HG2 ) 3.0 1.2 0.3
assign (resid 60 and name HA ) (resid 63 and name HA ) 3.0 1.2 0.3
assign (resid 60 and name HB# ) (resid 65 and name HG2# ) 4.0 2.2 3.0
assign (resid 60 and name HG1 ) (resid 65 and name HG1# ) 4.0 2.2 1.5
assign (resid 60 and name HG2 ) (resid 65 and name HG2# ) 4.0 2.2 1.5

! Y61
assign (resid 61 and name HB2 ) (resid 61 and name HD# ) 4.0 2.2 1.0
assign (resid 61 and name HA ) (resid 61 and name HD# ) 3.0 1.2 0.3
assign (resid 61 and name HB1 ) (resid 61 and name HD# ) 4.0 2.2 1.0
assign (resid 61 and name HE# ) (resid 61 and name HA ) 4.0 2.2 1.0
assign (resid 61 and name HE# ) (resid 61 and name HB1 ) 4.0 2.2 2.0
assign (resid 61 and name HB2 ) (resid 61 and name HE# ) 4.0 2.2 2.0
assign (resid 61 and name HD# ) (resid 62 and name HA ) 4.0 2.2 2.0
assign (resid 61 and name HB1 ) (resid 62 and name HA ) 4.0 2.2 1.0

! Y62
assign (resid 62 and name HB1 ) (resid 62 and name HD# ) 4.0 2.2 1.0
assign (resid 62 and name HB2 ) (resid 62 and name HD# ) 4.0 2.2 1.0
assign (resid 62 and name HA ) (resid 62 and name HD# ) 3.0 1.2 0.3
assign (resid 62 and name HE# ) (resid 62 and name HA ) 4.0 2.2 1.0
assign (resid 62 and name HD# ) (resid 64 and name HD1# ) 4.0 2.2 1.5
assign (resid 62 and name HD# ) (resid 64 and name HD2# ) 4.0 2.2 1.5
assign (resid 62 and name HB1 ) (resid 64 and name HD1# ) 4.0 2.2 2.5
assign (resid 62 and name HB2 ) (resid 64 and name HD1# ) 4.0 2.2 2.5
assign (resid 62 and name HB2 ) (resid 64 and name HD2# ) 4.0 2.2 1.5
assign (resid 62 and name HB1 ) (resid 64 and name HD2# ) 3.0 1.2 0.8
assign (resid 62 and name HB1 ) (resid 64 and name HG ) 4.0 2.2 1.0
assign (resid 62 and name HB2 ) (resid 64 and name HG ) 4.0 2.2 1.0
assign (resid 62 and name HE# ) (resid 64 and name HD2# ) 4.0 2.2 2.5
assign (resid 62 and name HD# ) (resid 71 and name HG2# ) 4.0 2.2 1.5
assign (resid 62 and name HE# ) (resid 71 and name HG2# ) 4.0 2.2 1.5
assign (resid 62 and name HE# ) (resid 71 and name HG1# ) 4.0 2.2 1.5
assign (resid 62 and name HE# ) (resid 73 and name HG2# ) 4.0 2.2 2.5
assign (resid 62 and name HE# ) (resid 73 and name HD1# ) 4.0 2.2 1.5
assign (resid 62 and name HD# ) (resid 78 and name HD1 ) 4.0 2.2 2.0
assign (resid 62 and name HD# ) (resid 78 and name HD2 ) 4.0 2.2 2.0
assign (resid 62 and name HE# ) (resid 78 and name HD2 ) 4.0 2.2 1.0

! R63
assign (resid 63 and name HA ) (resid 63 and name HG# ) 2.5 0.7 0.7
assign (resid 63 and name HD# ) (resid 63 and name HB2 ) 3.0 1.2 0.8
assign (resid 63 and name HD# ) (resid 63 and name HB1 ) 3.0 1.2 0.8
assign (resid 63 and name HA ) (resid 63 and name HD# ) 3.0 1.2 0.8

! L64
assign (resid 64 and name HB2 ) (resid 64 and name HD1# ) 3.0 1.2 0.8
assign (resid 64 and name HB1 ) (resid 64 and name HD1# ) 3.0 1.2 0.8
assign (resid 64 and name HA ) (resid 64 and name HD1# ) 4.0 2.2 1.5
assign (resid 64 and name HA ) (resid 64 and name HD2# ) 2.5 0.7 0.7
assign (resid 64 and name HB1 ) (resid 64 and name HD2# ) 3.0 1.2 0.8
assign (resid 64 and name HB2 ) (resid 64 and name HD2# ) 3.0 1.2 0.8
assign (resid 64 and name HG ) (resid 64 and name HA ) 4.0 2.2 1.0
assign (resid 64 and name HA ) (resid 65 and name HG2# ) 4.0 2.2 1.5
assign (resid 64 and name HD1# ) (resid 67 and name HG2# ) 3.0 1.2 1.3
assign (resid 64 and name HD2# ) (resid 67 and name HG2# ) 3.0 1.2 1.3
assign (resid 64 and name HD1# ) (resid 69 and name HB# ) 3.0 1.2 1.3
assign (resid 64 and name HD2# ) (resid 69 and name HB# ) 2.5 0.7 1.2
assign (resid 64 and name HA ) (resid 69 and name HB# ) 4.0 2.2 2.5
assign (resid 64 and name HD1# ) (resid 71 and name HG2# ) 3.0 1.2 1.3
assign (resid 64 and name HD2# ) (resid 80 and name HG* ) 2.5 0.7 1.2
assign (resid 64 and name HA ) (resid 80 and name HG* ) 4.0 2.2 1.5
assign (resid 64 and name HD2# ) (resid 80 and name HB ) 4.0 2.2 1.5

! V65
assign (resid 65 and name HG2# ) (resid 65 and name HA ) 2.5 0.7 0.7
assign (resid 65 and name HB ) (resid 66 and name HG* ) 2.5 0.7 0.7

! V66
assign (resid 66 and name HA ) (resid 66 and name HG* ) 2.5 0.7 0.7
assign (resid 66 and name HA ) (resid 67 and name HG2# ) 4.0 2.2 1.5
assign (resid 66 and name HG* ) (resid 67 and name HA ) 3.0 1.2 0.8
assign (resid 66 and name HG* ) (resid 69 and name HB# ) 4.0 2.2 2.0
assign (resid 66 and name HG* ) (resid 82 and name HB1 ) 3.0 1.2 0.8
assign (resid 66 and name HB ) (resid 82 and name HB1 ) 4.0 2.2 1.0
assign (resid 66 and name HB ) (resid 82 and name HB2 ) 4.0 2.2 1.0
assign (resid 66 and name HG* ) (resid 82 and name HB2 ) 3.0 1.2 0.8
assign (resid 66 and name HG* ) (resid 82 and name HA ) 4.0 2.2 1.5
assign (resid 66 and name HG* ) (resid 83 and name HA1 ) 4.0 2.2 1.5
assign (resid 66 and name HG* ) (resid 83 and name HA2 ) 3.0 1.2 0.8

! T67
assign (resid 67 and name HA ) (resid 67 and name HG2# ) 2.5 0.7 0.7
assign (resid 67 and name HB ) (resid 68 and name HA ) 2.5 0.7 0.2
assign (resid 67 and name HB ) (resid 68 and name HB2 ) 4.0 2.2 1.0
assign (resid 67 and name HB ) (resid 68 and name HG# ) 4.0 2.2 1.5
assign (resid 67 and name HB ) (resid 68 and name HB1 ) 4.0 2.2 1.0
assign (resid 67 and name HG2# ) (resid 68 and name HA ) 3.0 1.2 0.8
assign (resid 67 and name HG2# ) (resid 68 and name HB1 ) 4.0 2.2 1.5
assign (resid 67 and name HA ) (resid 68 and name HA ) 3.0 1.2 0.3
assign (resid 67 and name HA ) (resid 68 and name HB1 ) 4.0 2.2 1.0
assign (resid 67 and name HA ) (resid 68 and name HB2 ) 4.0 2.2 1.0
assign (resid 67 and name HB ) (resid 69 and name HB# ) 4.0 2.2 1.5
assign (resid 67 and name HG2# ) (resid 69 and name HB# ) 3.0 1.2 1.3
assign (resid 67 and name HA ) (resid 69 and name HB# ) 3.0 1.2 0.8

! P68
assign (resid 68 and name HA ) (resid 69 and name HB# ) 4.0 2.2 2.5
assign (resid 68 and name HG# ) (resid 84 and name HA ) 4.0 2.2 1.5
assign (resid 68 and name HD# ) (resid 84 and name HA ) 4.0 2.2 1.5
assign (resid 68 and name HD# ) (resid 84 and name HG2# ) 4.0 2.2 2.0
assign (resid 68 and name HD# ) (resid 86 and name HD* ) 4.0 2.2 3.0
assign (resid 68 and name HB1 ) (resid 86 and name HD* ) 4.0 2.2 1.5
assign (resid 68 and name HG# ) (resid 86 and name HD* ) 3.0 1.2 1.3
assign (resid 68 and name HB2 ) (resid 86 and name HD1# ) 3.0 1.2 0.8

! A69
assign (resid 69 and name HB# ) (resid 80 and name HG* ) 2.5 0.7 1.2
assign (resid 69 and name HB# ) (resid 80 and name HB ) 4.0 2.2 2.5
assign (resid 69 and name HA ) (resid 82 and name HA ) 2.5 0.7 0.2
assign (resid 69 and name HA ) (resid 82 and name HB2 ) 3.0 1.2 0.3
assign (resid 69 and name HA ) (resid 82 and name HB1 ) 4.0 2.2 1.0
assign (resid 69 and name HB# ) (resid 82 and name HB1 ) 3.0 1.2 0.8
assign (resid 69 and name HB# ) (resid 82 and name HB2 ) 3.0 1.2 0.8
assign (resid 69 and name HB# ) (resid 82 and name HA ) 3.0 1.2 0.8
assign (resid 69 and name HA ) (resid 86 and name HD* ) 3.0 1.2 0.8

! L70
assign (resid 70 and name HG ) (resid 70 and name HA ) 4.0 2.2 1.0
assign (resid 70 and name HD2# ) (resid 70 and name HA ) 3.0 1.2 0.8
assign (resid 70 and name HD1# ) (resid 70 and name HA ) 4.0 2.2 1.5
assign (resid 70 and name HB2 ) (resid 70 and name HD1# ) 3.0 1.2 0.8
assign (resid 70 and name HB1 ) (resid 70 and name HD1# ) 3.0 1.2 0.8
assign (resid 70 and name HB1 ) (resid 70 and name HD2# ) 3.0 1.2 0.8
assign (resid 70 and name HB2 ) (resid 70 and name HD2# ) 3.0 1.2 0.8
assign (resid 70 and name HA ) (resid 86 and name HD* ) 4.0 2.2 1.5
assign (resid 70 and name HD1# ) (resid 86 and name HD* ) 3.0 1.2 1.3
assign (resid 70 and name HB1 ) (resid 86 and name HD* ) 3.0 1.2 0.8
assign (resid 70 and name HD1# ) (resid 97 and name HZ3 ) 4.0 2.2 1.5
assign (resid 70 and name HD1# ) (resid 97 and name HH2 ) 4.0 2.2 1.5

! V71
assign (resid 71 and name HA ) (resid 71 and name HG2# ) 3.0 1.2 0.8
assign (resid 71 and name HA ) (resid 71 and name HG1# ) 3.0 1.2 0.8
assign (resid 71 and name HG1# ) (resid 73 and name HA ) 4.0 2.2 1.5
assign (resid 71 and name HG1# ) (resid 73 and name HD1# ) 3.0 1.2 1.3
assign (resid 71 and name HG1# ) (resid 73 and name HG2# ) 3.0 1.2 1.3
assign (resid 71 and name HB ) (resid 73 and name HG2# ) 4.0 2.2 1.5
assign (resid 71 and name HB ) (resid 73 and name HD1# ) 3.0 1.2 0.8
assign (resid 71 and name HG1# ) (resid 78 and name HG2 ) 4.0 2.2 1.5
assign (resid 71 and name HG1# ) (resid 78 and name HG1 ) 4.0 2.2 1.5
assign (resid 71 and name HG1# ) (resid 78 and name HD1 ) 4.0 2.2 1.5
assign (resid 71 and name HG1# ) (resid 78 and name HD2 ) 3.0 1.2 0.8
assign (resid 71 and name HG1# ) (resid 78 and name HB1 ) 4.0 2.2 1.5
assign (resid 71 and name HA ) (resid 80 and name HA ) 2.5 0.7 0.2
assign (resid 71 and name HG1# ) (resid 80 and name HA ) 4.0 2.2 1.5

! K72
assign (resid 72 and name HA ) (resid 72 and name HG1 ) 4.0 2.2 1.0
assign (resid 72 and name HE2 ) (resid 72 and name HG1 ) 4.0 2.2 1.0
assign (resid 72 and name HE1 ) (resid 72 and name HG1 ) 4.0 2.2 1.0
assign (resid 72 and name HE2 ) (resid 72 and name HG2 ) 4.0 2.2 1.0
assign (resid 72 and name HA ) (resid 72 and name HG2 ) 4.0 2.2 1.0
assign (resid 72 and name HG2 ) (resid 72 and name HE1 ) 4.0 2.2 1.0
assign (resid 72 and name HG1 ) (resid 73 and name HD1# ) 4.0 2.2 1.5
assign (resid 72 and name HG1 ) (resid 78 and name HA ) 4.0 2.2 2.0
assign (resid 72 and name HE1 ) (resid 79 and name HG# ) 4.0 2.2 1.5
assign (resid 72 and name HE1 ) (resid 97 and name HZ2 ) 4.0 2.2 2.0

! I73
assign (resid 73 and name HA ) (resid 73 and name HG11 ) 4.0 2.2 1.0
assign (resid 73 and name HA ) (resid 73 and name HG12 ) 4.0 2.2 1.0
assign (resid 73 and name HG2# ) (resid 73 and name HA ) 3.0 1.2 0.8
assign (resid 73 and name HD1# ) (resid 73 and name HA ) 3.0 1.2 0.8
assign (resid 73 and name HD1# ) (resid 73 and name HB ) 3.0 1.2 0.8
assign (resid 73 and name HG2# ) (resid 78 and name HG1 ) 3.0 1.2 0.8
assign (resid 73 and name HA ) (resid 78 and name HG1 ) 4.0 2.2 1.0
assign (resid 73 and name HA ) (resid 78 and name HB2 ) 4.0 2.2 2.0
assign (resid 73 and name HA ) (resid 78 and name HA ) 3.0 1.2 0.3
assign (resid 73 and name HG2# ) (resid 78 and name HA ) 4.0 2.2 1.5

! G74
assign (resid 74 and name HA1 ) (resid 75 and name HA ) 3.0 1.2 0.3
assign (resid 74 and name HA2 ) (resid 75 and name HA ) 3.0 1.2 0.3

! P75

! G76

! S77

! R78
assign (resid 78 and name HD2 ) (resid 78 and name HB2 ) 4.0 2.2 1.0
assign (resid 78 and name HD2 ) (resid 78 and name HB1 ) 4.0 2.2 1.0
assign (resid 78 and name HD1 ) (resid 78 and name HB1 ) 4.0 2.2 1.0
assign (resid 78 and name HA ) (resid 78 and name HG2 ) 4.0 2.2 1.0
assign (resid 78 and name HA ) (resid 78 and name HG1 ) 3.0 1.2 0.3
assign (resid 78 and name HB2 ) (resid 78 and name HD1 ) 4.0 2.2 1.0
assign (resid 78 and name HA ) (resid 78 and name HD1 ) 4.0 2.2 2.0
assign (resid 78 and name HA ) (resid 78 and name HD2 ) 4.0 2.2 1.0
assign (resid 78 and name HA ) (resid 79 and name HG# ) 4.0 2.2 1.5

! Q79
assign (resid 79 and name HG# ) (resid 79 and name HA ) 2.5 0.7 0.7
assign (resid 79 and name HA ) (resid 80 and name HB ) 4.0 2.2 1.0

! V80
assign (resid 80 and name HA ) (resid 80 and name HG* ) 2.5 0.7 0.7
assign (resid 80 and name HG* ) (resid 81 and name HA ) 4.0 2.2 1.5
assign (resid 80 and name HG* ) (resid 82 and name HB1 ) 3.0 1.2 0.8
assign (resid 80 and name HG* ) (resid 82 and name HB2 ) 3.0 1.2 0.8
assign (resid 80 and name HG* ) (resid 82 and name HA ) 4.0 2.2 1.5

! L81
assign (resid 81 and name HD2# ) (resid 81 and name HA ) 2.5 0.7 0.7
assign (resid 81 and name HD1# ) (resid 81 and name HA ) 3.0 1.2 0.8
assign (resid 81 and name HG ) (resid 81 and name HA ) 3.0 1.2 0.3
assign (resid 81 and name HD1# ) (resid 81 and name HB2 ) 4.0 2.2 1.5
assign (resid 81 and name HD1# ) (resid 81 and name HB1 ) 4.0 2.2 1.5
assign (resid 81 and name HD1# ) (resid 86 and name HA ) 4.0 2.2 1.5
assign (resid 81 and name HD2# ) (resid 86 and name HA ) 4.0 2.2 2.5
assign (resid 81 and name HB1 ) (resid 86 and name HA ) 4.0 2.2 1.0
assign (resid 81 and name HD1# ) (resid 89 and name HB2 ) 4.0 2.2 1.5
assign (resid 81 and name HD2# ) (resid 89 and name HA ) 4.0 2.2 1.5
assign (resid 81 and name HD1# ) (resid 90 and name HA ) 3.0 1.2 0.8
assign (resid 81 and name HD2# ) (resid 90 and name HA ) 4.0 2.2 1.5
assign (resid 81 and name HD2# ) (resid 93 and name HG1 ) 3.0 1.2 0.8
assign (resid 81 and name HD2# ) (resid 93 and name HG2 ) 4.0 2.2 1.5
assign (resid 81 and name HD1# ) (resid 93 and name HG1 ) 4.0 2.2 1.5
assign (resid 81 and name HD2# ) (resid 97 and name HZ2 ) 4.0 2.2 1.5
assign (resid 81 and name HD1# ) (resid 97 and name HZ2 ) 3.0 1.2 0.8
assign (resid 81 and name HG ) (resid 97 and name HH2 ) 4.0 2.2 2.0
assign (resid 81 and name HD1# ) (resid 97 and name HH2 ) 3.0 1.2 0.8
assign (resid 81 and name HD2# ) (resid 97 and name HH2 ) 4.0 2.2 1.5

! S82
assign (resid 82 and name HA ) (resid 86 and name HD* ) 3.0 1.2 0.8
assign (resid 82 and name HB2 ) (resid 86 and name HD* ) 4.0 2.2 1.5
assign (resid 82 and name HB1 ) (resid 86 and name HD* ) 4.0 2.2 1.5

! G83
assign (resid 83 and name HA1 ) (resid 84 and name HG11 ) 4.0 2.2 2.0

! I84
assign (resid 84 and name HA ) (resid 84 and name HG11 ) 4.0 2.2 1.0
assign (resid 84 and name HA ) (resid 84 and name HG12 ) 4.0 2.2 1.0
assign (resid 84 and name HG2# ) (resid 84 and name HA ) 2.5 0.7 0.7
assign (resid 84 and name HD1# ) (resid 84 and name HA ) 4.0 2.2 1.5
assign (resid 84 and name HD1# ) (resid 84 and name HB ) 3.0 1.2 0.8
assign (resid 84 and name HG2# ) (resid 85 and name HA ) 4.0 2.2 1.5

! D85

! L86
assign (resid 86 and name HA ) (resid 86 and name HG ) 4.0 2.2 1.0
assign (resid 86 and name HA ) (resid 86 and name HD* ) 3.0 1.2 0.8
assign (resid 86 and name HB1 ) (resid 86 and name HD* ) 3.0 1.2 0.8
assign (resid 86 and name HD* ) (resid 86 and name HB2 ) 2.5 0.7 0.7
assign (resid 86 and name HD* ) (resid 87 and name HG2# ) 4.0 2.2 2.0
assign (resid 86 and name HB1 ) (resid 87 and name HA ) 4.0 2.2 2.0
assign (resid 86 and name HA ) (resid 89 and name HB1 ) 3.0 1.2 0.3
assign (resid 86 and name HA ) (resid 89 and name HB2 ) 4.0 2.2 2.0
assign (resid 86 and name HA ) (resid 89 and name HG# ) 4.0 2.2 1.5
assign (resid 86 and name HA ) (resid 90 and name HB2 ) 4.0 2.2 2.0

! T87
assign (resid 87 and name HG2# ) (resid 87 and name HA ) 2.5 0.7 0.7
assign (resid 87 and name HA ) (resid 90 and name HD2# ) 4.0 2.2 1.5
assign (resid 87 and name HA ) (resid 90 and name HB2 ) 4.0 2.2 1.0
assign (resid 87 and name HA ) (resid 90 and name HB1 ) 4.0 2.2 1.0

! D88
assign (resid 88 and name HA ) (resid 91 and name HB# ) 2.5 0.7 0.7

! Q89
assign (resid 89 and name HG# ) (resid 89 and name HA ) 3.0 1.2 0.8
assign (resid 89 and name HA ) (resid 92 and name HB2 ) 3.0 1.2 0.3
assign (resid 89 and name HA ) (resid 92 and name HB1 ) 4.0 2.2 1.0

! L90
assign (resid 90 and name HA ) (resid 90 and name HD2# ) 4.0 2.2 1.5
assign (resid 90 and name HB1 ) (resid 90 and name HD2# ) 3.0 1.2 0.8
assign (resid 90 and name HB2 ) (resid 90 and name HD2# ) 3.0 1.2 0.8
assign (resid 90 and name HA ) (resid 90 and name HG ) 4.0 2.2 2.0
assign (resid 90 and name HA ) (resid 90 and name HD1# ) 2.5 0.7 0.7
assign (resid 90 and name HB2 ) (resid 90 and name HD1# ) 3.0 1.2 0.8
assign (resid 90 and name HD1# ) (resid 90 and name HB1 ) 3.0 1.2 0.8
assign (resid 90 and name HD2# ) (resid 91 and name HB# ) 4.0 2.2 3.0
assign (resid 90 and name HD1# ) (resid 91 and name HA ) 4.0 2.2 1.5
assign (resid 90 and name HA ) (resid 93 and name HB1 ) 4.0 2.2 1.0
assign (resid 90 and name HA ) (resid 93 and name HB2 ) 4.0 2.2 2.0
assign (resid 90 and name HD1# ) (resid 97 and name HZ3 ) 3.0 1.2 0.8
assign (resid 90 and name HD1# ) (resid 97 and name HH2 ) 4.0 2.2 1.5

! A91
assign (resid 91 and name HB# ) (resid 92 and name HB1 ) 4.0 2.2 1.5
assign (resid 91 and name HB# ) (resid 92 and name HA ) 4.0 2.2 1.5
assign (resid 91 and name HA ) (resid 94 and name HB2 ) 4.0 2.2 1.0

! N92
assign (resid 92 and name HB1 ) (resid 93 and name HG2 ) 4.0 2.2 1.0
assign (resid 92 and name HA ) (resid 95 and name HD2 ) 4.0 2.2 1.0
assign (resid 92 and name HA ) (resid 95 and name HD1 ) 4.0 2.2 2.0

! Q93
assign (resid 93 and name HG2 ) (resid 93 and name HA ) 3.0 1.2 0.3
assign (resid 93 and name HG1 ) (resid 93 and name HA ) 4.0 2.2 1.0
assign (resid 93 and name HA ) (resid 96 and name HB# ) 3.0 1.2 0.8
assign (resid 93 and name HA ) (resid 96 and name HG# ) 3.0 1.2 0.8
assign (resid 93 and name HA ) (resid 97 and name HZ2 ) 4.0 2.2 1.0

! L94
assign (resid 94 and name HB1 ) (resid 94 and name HD2# ) 3.0 1.2 0.8
assign (resid 94 and name HB2 ) (resid 94 and name HD2# ) 3.0 1.2 0.8
assign (resid 94 and name HA ) (resid 94 and name HD2# ) 3.0 1.2 0.8
assign (resid 94 and name HA ) (resid 94 and name HD1# ) 2.5 0.7 0.7
assign (resid 94 and name HB1 ) (resid 94 and name HD1# ) 4.0 2.2 1.5
assign (resid 94 and name HB2 ) (resid 94 and name HD1# ) 3.0 1.2 0.8
assign (resid 94 and name HG ) (resid 94 and name HA ) 4.0 2.2 1.0
assign (resid 94 and name HB1 ) (resid 95 and name HD2 ) 3.0 1.2 0.3
assign (resid 94 and name HD2# ) (resid 95 and name HD2 ) 4.0 2.2 1.5
assign (resid 94 and name HB2 ) (resid 95 and name HD2 ) 4.0 2.2 1.0
assign (resid 94 and name HD1# ) (resid 95 and name HD2 ) 4.0 2.2 2.5
assign (resid 94 and name HB2 ) (resid 95 and name HD1 ) 4.0 2.2 1.0
assign (resid 94 and name HB1 ) (resid 95 and name HD1 ) 3.0 1.2 0.3
assign (resid 94 and name HB1 ) (resid 95 and name HG1 ) 4.0 2.2 1.0
assign (resid 94 and name HA ) (resid 95 and name HD2 ) 4.0 2.2 2.0
assign (resid 94 and name HD1# ) (resid 97 and name HB2 ) 4.0 2.2 1.5
assign (resid 94 and name HA ) (resid 97 and name HB2 ) 4.0 2.2 1.0
assign (resid 94 and name HD1# ) (resid 97 and name HB1 ) 4.0 2.2 1.5
assign (resid 94 and name HA ) (resid 97 and name HB1 ) 4.0 2.2 1.0
assign (resid 94 and name HD2# ) (resid 97 and name HE3 ) 4.0 2.2 1.5
assign (resid 94 and name HD1# ) (resid 97 and name HZ3 ) 3.0 1.2 0.8
assign (resid 94 and name HD1# ) (resid 97 and name HD1 ) 4.0 2.2 2.5
assign (resid 94 and name HD1# ) (resid 97 and name HE3 ) 3.0 1.2 0.8
assign (resid 94 and name HA ) (resid 97 and name HE3 ) 4.0 2.2 1.0
assign (resid 94 and name HD2# ) (resid 97 and name HZ3 ) 4.0 2.2 2.5
assign (resid 94 and name HB1 ) (resid 98 and name HD1# ) 4.0 2.2 1.5

! P95
assign (resid 95 and name HA ) (resid 98 and name HD1# ) 3.0 1.2 0.8
assign (resid 95 and name HA ) (resid 98 and name HB1 ) 4.0 2.2 1.0
assign (resid 95 and name HA ) (resid 98 and name HB2 ) 4.0 2.2 1.0

! Q96
assign (resid 96 and name HG# ) (resid 96 and name HA ) 2.5 0.7 0.7
assign (resid 96 and name HB# ) (resid 97 and name HD1 ) 4.0 2.2 1.5
assign (resid 96 and name HA ) (resid 99 and name HB ) 3.0 1.2 0.3
assign (resid 96 and name HB# ) (resid 99 and name HG1# ) 4.0 2.2 3.0
assign (resid 96 and name HG# ) (resid 99 and name HG2# ) 3.0 1.2 1.3
assign (resid 96 and name HA ) (resid 99 and name HG2# ) 4.0 2.2 1.5
assign (resid 96 and name HA ) (resid 99 and name HG1# ) 3.0 1.2 0.8

! W97
assign (resid 97 and name HE3 ) (resid 97 and name HB1 ) 4.0 2.2 2.0
assign (resid 97 and name HB1 ) (resid 97 and name HD1 ) 4.0 2.2 2.0
assign (resid 97 and name HA ) (resid 97 and name HD1 ) 2.5 0.7 0.2
assign (resid 97 and name HA ) (resid 100 and name HB# ) 4.0 2.2 1.5
assign (resid 97 and name HD1 ) (resid 100 and name HG# ) 4.0 2.2 1.5

! L98
assign (resid 98 and name HA ) (resid 98 and name HG ) 4.0 2.2 1.0
assign (resid 98 and name HB2 ) (resid 98 and name HD1# ) 3.0 1.2 0.8
assign (resid 98 and name HA ) (resid 98 and name HD1# ) 4.0 2.2 1.5
assign (resid 98 and name HA ) (resid 98 and name HD2# ) 2.5 0.7 0.7
assign (resid 98 and name HA ) (resid 99 and name HG2# ) 4.0 2.2 1.5

! V99
assign (resid 99 and name HA ) (resid 99 and name HG1# ) 2.5 0.7 0.7
assign (resid 99 and name HG1# ) (resid 100 and name HG# ) 4.0 2.2 2.0
assign (resid 99 and name HG1# ) (resid 101 and name HB2 ) 4.0 2.2 1.5

! Q100

! Q101
assign (resid 101 and name HG# ) (resid 101 and name HA ) 2.5 0.7 0.7

! A10
assign (resid 10 and name HB# ) (resid 10 and name HN ) 2.5 0.7 0.9
assign (resid 10 and name HB# ) (resid 11 and name HN ) 2.5 0.7 0.9
assign (resid 10 and name HA ) (resid 11 and name HN ) 2.5 0.7 0.4

! Q11
assign (resid 11 and name HB1 ) (resid 11 and name HN ) 4.0 2.2 1.0

! P12
assign (resid 12 and name HA ) (resid 13 and name HN ) 3.0 1.2 0.5

! L13
assign (resid 13 and name HB2 ) (resid 13 and name HN ) 4.0 2.2 2.0
assign (resid 13 and name HB1 ) (resid 13 and name HN ) 4.0 2.2 2.0
assign (resid 13 and name HA ) (resid 14 and name HN ) 3.0 1.2 0.5
assign (resid 13 and name HD2# ) (resid 14 and name HN ) 3.0 1.2 1.0

! L14
assign (resid 14 and name HB2 ) (resid 14 and name HN ) 4.0 2.2 1.0
assign (resid 14 and name HG ) (resid 14 and name HN ) 4.0 2.2 1.0
assign (resid 14 and name HA ) (resid 15 and name HN ) 3.0 1.2 0.5
assign (resid 14 and name HB1 ) (resid 15 and name HN ) 4.0 2.2 2.0
assign (resid 14 and name HD2# ) (resid 15 and name HN ) 3.0 1.2 1.0
assign (resid 14 and name HB2 ) (resid 74 and name HN ) 4.0 2.2 1.0

! L15
assign (resid 15 and name HA ) (resid 16 and name HN ) 3.0 1.2 0.5
assign (resid 15 and name HD2# ) (resid 16 and name HN ) 4.0 2.2 1.5
assign (resid 15 and name HD2# ) (resid 73 and name HN ) 4.0 2.2 1.5

! Q16
assign (resid 16 and name HG2 ) (resid 16 and name HN ) 4.0 2.2 1.0
assign (resid 16 and name HA ) (resid 17 and name HN ) 3.0 1.2 0.5

! L17
assign (resid 17 and name HB2 ) (resid 17 and name HN ) 4.0 2.2 1.0
assign (resid 17 and name HB1 ) (resid 17 and name HN ) 4.0 2.2 1.0
assign (resid 17 and name HD1# ) (resid 18 and name HN ) 3.0 1.2 1.0
assign (resid 17 and name HA ) (resid 18 and name HN ) 3.0 1.2 0.5
assign (resid 17 and name HN ) (resid 47 and name HD2# ) 4.0 2.2 1.5
assign (resid 17 and name HD1# ) (resid 69 and name HN ) 4.0 2.2 1.5

! F18
assign (resid 18 and name HD# ) (resid 18 and name HN ) 4.0 2.2 1.0
assign (resid 18 and name HB1 ) (resid 18 and name HN ) 4.0 2.2 1.0
assign (resid 18 and name HB2 ) (resid 18 and name HN ) 4.0 2.2 1.0
assign (resid 18 and name HD# ) (resid 19 and name HN ) 4.0 2.2 1.0
assign (resid 18 and name HA ) (resid 19 and name HN ) 2.5 0.7 0.4
assign (resid 18 and name HA ) (resid 50 and name HN ) 4.0 2.2 1.0
assign (resid 18 and name HN ) (resid 69 and name HB# ) 4.0 2.2 2.5
assign (resid 18 and name HB2 ) (resid 69 and name HN ) 4.0 2.2 1.0
assign (resid 18 and name HB1 ) (resid 69 and name HN ) 4.0 2.2 1.0

! V19
assign (resid 19 and name HG1# ) (resid 19 and name HN ) 3.0 1.2 1.0
assign (resid 19 and name HG2# ) (resid 19 and name HN ) 2.5 0.7 0.9
assign (resid 19 and name HA ) (resid 20 and name HN ) 3.0 1.2 0.5
assign (resid 19 and name HB ) (resid 20 and name HN ) 3.0 1.2 0.5
assign (resid 19 and name HG2# ) (resid 20 and name HN ) 3.0 1.2 1.0
assign (resid 19 and name HG1# ) (resid 29 and name HN ) 4.0 2.2 1.5
assign (resid 19 and name HN ) (resid 51 and name HA ) 4.0 2.2 1.0
assign (resid 19 and name HG2# ) (resid 52 and name HN ) 3.0 1.2 1.0
assign (resid 19 and name HN ) (resid 52 and name HG1# ) 4.0 2.2 1.5
assign (resid 19 and name HN ) (resid 52 and name HG2# ) 4.0 2.2 1.5
assign (resid 19 and name HG1# ) (resid 69 and name HN ) 4.0 2.2 1.5

! D20
assign (resid 20 and name HA ) (resid 21 and name HN ) 4.0 2.2 1.0
assign (resid 20 and name HB2 ) (resid 21 and name HN ) 4.0 2.2 1.0

! T21
assign (resid 21 and name HG2# ) (resid 21 and name HN ) 3.0 1.2 1.0
assign (resid 21 and name HA ) (resid 22 and name HN ) 3.0 1.2 0.5
assign (resid 21 and name HG2# ) (resid 22 and name HN ) 4.0 2.2 1.5

! R22
assign (resid 22 and name HB# ) (resid 22 and name HN ) 3.0 1.2 1.0
assign (resid 22 and name HD1 ) (resid 22 and name HN ) 4.0 2.2 1.0
assign (resid 22 and name HN ) (resid 23 and name HD1 ) 4.0 2.2 1.0

! P23
assign (resid 23 and name HA ) (resid 26 and name HN ) 4.0 2.2 1.0

! L24
assign (resid 24 and name HB2 ) (resid 24 and name HN ) 4.0 2.2 2.0
assign (resid 24 and name HB1 ) (resid 24 and name HN ) 4.0 2.2 2.0
assign (resid 24 and name HA ) (resid 25 and name HN ) 4.0 2.2 1.0
assign (resid 24 and name HB1 ) (resid 25 and name HN ) 3.0 1.2 0.5

! S25
assign (resid 25 and name HB# ) (resid 25 and name HN ) 3.0 1.2 1.0

! Q26
assign (resid 26 and name HB# ) (resid 26 and name HN ) 2.5 0.7 0.9
assign (resid 26 and name HG# ) (resid 26 and name HN ) 2.5 0.7 0.9

! H27
assign (resid 27 and name HB# ) (resid 28 and name HN ) 3.0 1.2 1.0
assign (resid 27 and name HA ) (resid 28 and name HN ) 4.0 2.2 1.0

! I28
assign (resid 28 and name HG11 ) (resid 28 and name HN ) 3.0 1.2 0.5
assign (resid 28 and name HG12 ) (resid 28 and name HN ) 4.0 2.2 1.0
assign (resid 28 and name HB ) (resid 28 and name HN ) 3.0 1.2 0.5
assign (resid 28 and name HG2# ) (resid 28 and name HN ) 4.0 2.2 1.5
assign (resid 28 and name HG2# ) (resid 29 and name HN ) 3.0 1.2 1.0
assign (resid 28 and name HN ) (resid 29 and name HG2# ) 4.0 2.2 1.5
assign (resid 28 and name HB ) (resid 29 and name HN ) 3.0 1.2 0.5
assign (resid 28 and name HA ) (resid 31 and name HN ) 3.0 1.2 0.5

! V29
assign (resid 29 and name HB ) (resid 29 and name HN ) 3.0 1.2 0.5
assign (resid 29 and name HG2# ) (resid 29 and name HN ) 2.5 0.7 0.9
assign (resid 29 and name HG2# ) (resid 30 and name HN ) 3.0 1.2 1.0
assign (resid 29 and name HB ) (resid 30 and name HN ) 3.0 1.2 0.5

! Q30
assign (resid 30 and name HB# ) (resid 30 and name HN ) 2.5 0.7 0.9
assign (resid 30 and name HG# ) (resid 30 and name HN ) 3.0 1.2 1.0
assign (resid 30 and name HA ) (resid 31 and name HN ) 4.0 2.2 1.0
assign (resid 30 and name HG# ) (resid 31 and name HN ) 3.0 1.2 1.0
assign (resid 30 and name HB# ) (resid 31 and name HN ) 3.0 1.2 1.0
assign (resid 30 and name HA ) (resid 33 and name HN ) 3.0 1.2 0.5
assign (resid 30 and name HA ) (resid 34 and name HN ) 4.0 2.2 1.0

! R31
assign (resid 31 and name HB# ) (resid 31 and name HN ) 2.5 0.7 0.9
assign (resid 31 and name HG2 ) (resid 31 and name HN ) 3.0 1.2 0.5
assign (resid 31 and name HD# ) (resid 31 and name HN ) 4.0 2.2 1.5
assign (resid 31 and name HA ) (resid 32 and name HN ) 4.0 2.2 1.0
assign (resid 31 and name HB# ) (resid 32 and name HN ) 3.0 1.2 1.0
assign (resid 31 and name HA ) (resid 34 and name HN ) 3.0 1.2 0.5

! V32
assign (resid 32 and name HB ) (resid 32 and name HN ) 3.0 1.2 0.5
assign (resid 32 and name HG2# ) (resid 32 and name HN ) 2.5 0.7 0.9
assign (resid 32 and name HG1# ) (resid 32 and name HN ) 3.0 1.2 1.0
assign (resid 32 and name HB ) (resid 33 and name HN ) 3.0 1.2 0.5
assign (resid 32 and name HG2# ) (resid 33 and name HN ) 4.0 2.2 1.5
assign (resid 32 and name HG1# ) (resid 33 and name HN ) 3.0 1.2 1.0
assign (resid 32 and name HA ) (resid 33 and name HN ) 4.0 2.2 2.0
assign (resid 32 and name HA ) (resid 35 and name HN ) 4.0 2.2 1.0
assign (resid 32 and name HA ) (resid 36 and name HN ) 4.0 2.2 1.0
assign (resid 32 and name HN ) (resid 87 and name HG2# ) 4.0 2.2 1.5

! K33
assign (resid 33 and name HD# ) (resid 33 and name HN ) 3.0 1.2 1.0
assign (resid 33 and name HG2 ) (resid 33 and name HN ) 4.0 2.2 1.5
assign (resid 33 and name HB1 ) (resid 33 and name HN ) 3.0 1.2 0.5
assign (resid 33 and name HA ) (resid 34 and name HN ) 4.0 2.2 1.0
assign (resid 33 and name HB1 ) (resid 34 and name HN ) 3.0 1.2 0.5
assign (resid 33 and name HA ) (resid 36 and name HN ) 4.0 2.2 1.0

! N34
assign (resid 34 and name HB2 ) (resid 34 and name HN ) 3.0 1.2 0.5
assign (resid 34 and name HB1 ) (resid 34 and name HN ) 3.0 1.2 0.5
assign (resid 34 and name HB2 ) (resid 35 and name HN ) 4.0 2.2 1.0
assign (resid 34 and name HA ) (resid 37 and name HN ) 4.0 2.2 1.0
assign (resid 34 and name HN ) (resid 37 and name HB# ) 4.0 2.2 1.5

! I35
assign (resid 35 and name HG2# ) (resid 35 and name HN ) 3.0 1.2 1.0
assign (resid 35 and name HG11 ) (resid 35 and name HN ) 3.0 1.2 0.5
assign (resid 35 and name HG12 ) (resid 35 and name HN ) 4.0 2.2 1.0
assign (resid 35 and name HB ) (resid 35 and name HN ) 3.0 1.2 0.5
assign (resid 35 and name HD1# ) (resid 35 and name HN ) 3.0 1.2 1.0
assign (resid 35 and name HA ) (resid 36 and name HN ) 4.0 2.2 2.0
assign (resid 35 and name HG2# ) (resid 36 and name HN ) 3.0 1.2 1.0
assign (resid 35 and name HB ) (resid 36 and name HN ) 3.0 1.2 0.5
assign (resid 35 and name HA ) (resid 38 and name HN ) 4.0 2.2 1.0

! L36
assign (resid 36 and name HD2# ) (resid 36 and name HN ) 3.0 1.2 1.0
assign (resid 36 and name HB1 ) (resid 36 and name HN ) 4.0 2.2 1.0
assign (resid 36 and name HD1# ) (resid 36 and name HN ) 3.0 1.2 1.0
assign (resid 36 and name HG ) (resid 36 and name HN ) 3.0 1.2 0.5
assign (resid 36 and name HB2 ) (resid 36 and name HN ) 3.0 1.2 0.5
assign (resid 36 and name HG ) (resid 37 and name HN ) 4.0 2.2 2.0
assign (resid 36 and name HA ) (resid 37 and name HN ) 4.0 2.2 2.0
assign (resid 36 and name HB2 ) (resid 37 and name HN ) 4.0 2.2 1.0
assign (resid 36 and name HB1 ) (resid 37 and name HN ) 4.0 2.2 1.0
assign (resid 36 and name HN ) (resid 37 and name HB# ) 4.0 2.2 1.5
assign (resid 36 and name HA ) (resid 38 and name HN ) 4.0 2.2 1.0
assign (resid 36 and name HA ) (resid 39 and name HN ) 4.0 2.2 2.0

! A37
assign (resid 37 and name HB# ) (resid 37 and name HN ) 2.5 0.7 0.9
assign (resid 37 and name HB# ) (resid 38 and name HN ) 2.5 0.7 0.9

! A38
assign (resid 38 and name HB# ) (resid 38 and name HN ) 2.5 0.7 0.9
assign (resid 38 and name HN ) (resid 39 and name HG* ) 3.0 1.2 1.0
assign (resid 38 and name HB# ) (resid 39 and name HN ) 3.0 1.2 1.0
assign (resid 38 and name HA ) (resid 39 and name HN ) 3.0 1.2 0.5

! V39
assign (resid 39 and name HG* ) (resid 39 and name HN ) 2.5 0.7 0.9
assign (resid 39 and name HB ) (resid 39 and name HN ) 3.0 1.2 0.5
assign (resid 39 and name HB ) (resid 40 and name HN ) 4.0 2.2 1.0
assign (resid 39 and name HA ) (resid 40 and name HN ) 3.0 1.2 0.5
assign (resid 39 and name HG* ) (resid 40 and name HN ) 3.0 1.2 1.0

! E40
assign (resid 40 and name HB# ) (resid 40 and name HN ) 3.0 1.2 1.0
assign (resid 40 and name HG# ) (resid 40 and name HN ) 3.0 1.2 1.0

! A41
assign (resid 41 and name HB# ) (resid 41 and name HN ) 2.5 0.7 0.9
assign (resid 41 and name HA ) (resid 42 and name HN ) 3.0 1.2 0.5
assign (resid 41 and name HB# ) (resid 42 and name HN ) 4.0 2.2 1.5
assign (resid 41 and name HB# ) (resid 43 and name HN ) 3.0 1.2 1.0
assign (resid 41 and name HA ) (resid 43 and name HN ) 4.0 2.2 1.0

! T42
assign (resid 42 and name HG2# ) (resid 42 and name HN ) 4.0 2.2 1.5
assign (resid 42 and name HA ) (resid 43 and name HN ) 3.0 1.2 0.5
assign (resid 42 and name HG2# ) (resid 43 and name HN ) 4.0 2.2 1.5

! V43
assign (resid 43 and name HG1# ) (resid 43 and name HN ) 3.0 1.2 1.0
assign (resid 43 and name HG2# ) (resid 43 and name HN ) 2.5 0.7 0.9
assign (resid 43 and name HB ) (resid 43 and name HN ) 3.0 1.2 0.5

! P44
assign (resid 44 and name HB2 ) (resid 45 and name HN ) 4.0 2.2 1.0
assign (resid 44 and name HA ) (resid 45 and name HN ) 2.5 0.7 0.4
assign (resid 44 and name HB1 ) (resid 45 and name HN ) 4.0 2.2 1.0

! I45
assign (resid 45 and name HG2# ) (resid 45 and name HN ) 4.0 2.2 1.5
assign (resid 45 and name HD1# ) (resid 45 and name HN ) 4.0 2.2 1.5
assign (resid 45 and name HB ) (resid 45 and name HN ) 3.0 1.2 0.5
assign (resid 45 and name HG11 ) (resid 45 and name HN ) 3.0 1.2 0.5
assign (resid 45 and name HA ) (resid 46 and name HN ) 3.0 1.2 0.5
assign (resid 45 and name HG2# ) (resid 46 and name HN ) 3.0 1.2 1.0

! S46
assign (resid 46 and name HB1 ) (resid 46 and name HN ) 4.0 2.2 1.0
assign (resid 46 and name HB2 ) (resid 46 and name HN ) 4.0 2.2 1.0
assign (resid 46 and name HA ) (resid 47 and name HN ) 2.5 0.7 0.4

! L47
assign (resid 47 and name HB1 ) (resid 47 and name HN ) 3.0 1.2 0.5
assign (resid 47 and name HB2 ) (resid 47 and name HN ) 4.0 2.2 1.0
assign (resid 47 and name HD2# ) (resid 47 and name HN ) 4.0 2.2 1.5
assign (resid 47 and name HA ) (resid 48 and name HN ) 3.0 1.2 0.5
assign (resid 47 and name HD2# ) (resid 48 and name HN ) 3.0 1.2 1.0

! Q48
assign (resid 48 and name HB2 ) (resid 48 and name HN ) 4.0 2.2 1.0
assign (resid 48 and name HA ) (resid 49 and name HN ) 2.5 0.7 0.4
assign (resid 48 and name HN ) (resid 70 and name HD1# ) 4.0 2.2 2.5

! V49
assign (resid 49 and name HG* ) (resid 49 and name HN ) 3.0 1.2 1.0
assign (resid 49 and name HB ) (resid 49 and name HN ) 3.0 1.2 0.5
assign (resid 49 and name HA ) (resid 50 and name HN ) 2.5 0.7 0.4

! I50
assign (resid 50 and name HB ) (resid 50 and name HN ) 4.0 2.2 1.0
assign (resid 50 and name HG11 ) (resid 50 and name HN ) 3.0 1.2 0.5
assign (resid 50 and name HG2# ) (resid 50 and name HN ) 3.0 1.2 1.0
assign (resid 50 and name HG2# ) (resid 51 and name HN ) 3.0 1.2 1.0
assign (resid 50 and name HA ) (resid 51 and name HN ) 2.5 0.7 0.4

! N51
assign (resid 51 and name HB2 ) (resid 51 and name HN ) 3.0 1.2 0.5
assign (resid 51 and name HB1 ) (resid 51 and name HN ) 3.0 1.2 0.5
assign (resid 51 and name HA ) (resid 52 and name HN ) 2.5 0.7 0.4
assign (resid 51 and name HB2 ) (resid 52 and name HN ) 4.0 2.2 1.0
assign (resid 51 and name HB1 ) (resid 53 and name HN ) 4.0 2.2 2.0
assign (resid 51 and name HB2 ) (resid 53 and name HN ) 4.0 2.2 1.0
assign (resid 51 and name HB2 ) (resid 54 and name HN ) 4.0 2.2 1.0

! V52
assign (resid 52 and name HG2# ) (resid 52 and name HN ) 2.5 0.7 0.9
assign (resid 52 and name HB ) (resid 52 and name HN ) 4.0 2.2 1.0
assign (resid 52 and name HG1# ) (resid 52 and name HN ) 2.5 0.7 0.9
assign (resid 52 and name HN ) (resid 53 and name HB# ) 4.0 2.2 1.5
assign (resid 52 and name HB ) (resid 53 and name HN ) 4.0 2.2 1.0
assign (resid 52 and name HG1# ) (resid 53 and name HN ) 4.0 2.2 1.5
assign (resid 52 and name HG2# ) (resid 53 and name HN ) 2.5 0.7 0.9
assign (resid 52 and name HA ) (resid 53 and name HN ) 4.0 2.2 1.0
assign (resid 52 and name HA ) (resid 55 and name HN ) 4.0 2.2 1.0

! A53
assign (resid 53 and name HB# ) (resid 53 and name HN ) 2.5 0.7 0.9
assign (resid 53 and name HA ) (resid 54 and name HN ) 4.0 2.2 1.0
assign (resid 53 and name HB# ) (resid 54 and name HN ) 3.0 1.2 1.0
assign (resid 53 and name HB# ) (resid 55 and name HN ) 4.0 2.2 1.5

! D54
assign (resid 54 and name HB# ) (resid 54 and name HN ) 2.5 0.7 0.9
assign (resid 54 and name HA ) (resid 55 and name HN ) 4.0 2.2 2.0
assign (resid 54 and name HB# ) (resid 55 and name HN ) 4.0 2.2 1.5

! Q55
assign (resid 55 and name HB1 ) (resid 55 and name HN ) 4.0 2.2 1.0
assign (resid 55 and name HG# ) (resid 55 and name HN ) 4.0 2.2 1.5
assign (resid 55 and name HN ) (resid 56 and name HD1 ) 4.0 2.2 1.0
assign (resid 55 and name HN ) (resid 56 and name HD2 ) 4.0 2.2 2.0

! P56
assign (resid 56 and name HA ) (resid 59 and name HN ) 4.0 2.2 2.0

! Q57
assign (resid 57 and name HB1 ) (resid 57 and name HN ) 3.0 1.2 0.5
assign (resid 57 and name HA ) (resid 58 and name HN ) 4.0 2.2 1.0
assign (resid 57 and name HB1 ) (resid 58 and name HN ) 4.0 2.2 1.0
assign (resid 57 and name HG2 ) (resid 58 and name HN ) 4.0 2.2 2.0

! L58
assign (resid 58 and name HD2# ) (resid 58 and name HN ) 4.0 2.2 1.5
assign (resid 58 and name HD1# ) (resid 58 and name HN ) 4.0 2.2 1.5
assign (resid 58 and name HB2 ) (resid 58 and name HN ) 3.0 1.2 0.5
assign (resid 58 and name HG ) (resid 58 and name HN ) 4.0 2.2 1.0
assign (resid 58 and name HN ) (resid 59 and name HG2# ) 4.0 2.2 1.5
assign (resid 58 and name HB2 ) (resid 59 and name HN ) 4.0 2.2 1.0
assign (resid 58 and name HA ) (resid 61 and name HN ) 4.0 2.2 1.0

! V59
assign (resid 59 and name HG1# ) (resid 59 and name HN ) 4.0 2.2 1.5
assign (resid 59 and name HG2# ) (resid 59 and name HN ) 2.5 0.7 0.9
assign (resid 59 and name HB ) (resid 59 and name HN ) 3.0 1.2 0.5
assign (resid 59 and name HB ) (resid 60 and name HN ) 4.0 2.2 1.0
assign (resid 59 and name HA ) (resid 62 and name HN ) 4.0 2.2 2.0
assign (resid 59 and name HG1# ) (resid 65 and name HN ) 3.0 1.2 1.0

! E60
assign (resid 60 and name HB# ) (resid 60 and name HN ) 2.5 0.7 0.9
assign (resid 60 and name HG2 ) (resid 60 and name HN ) 4.0 2.2 1.0
assign (resid 60 and name HG2 ) (resid 61 and name HN ) 4.0 2.2 1.0
assign (resid 60 and name HB# ) (resid 61 and name HN ) 3.0 1.2 1.0
assign (resid 60 and name HA ) (resid 63 and name HN ) 4.0 2.2 1.0

! Y61
assign (resid 61 and name HD# ) (resid 61 and name HN ) 4.0 2.2 1.0
assign (resid 61 and name HB1 ) (resid 61 and name HN ) 3.0 1.2 0.5
assign (resid 61 and name HB2 ) (resid 61 and name HN ) 3.0 1.2 0.5
assign (resid 61 and name HB1 ) (resid 62 and name HN ) 4.0 2.2 1.0
assign (resid 61 and name HB2 ) (resid 62 and name HN ) 4.0 2.2 1.0

! Y62
assign (resid 62 and name HB2 ) (resid 62 and name HN ) 3.0 1.2 0.5

! R63
assign (resid 63 and name HD# ) (resid 63 and name HN ) 4.0 2.2 1.5
assign (resid 63 and name HB1 ) (resid 63 and name HN ) 4.0 2.2 1.0
assign (resid 63 and name HG# ) (resid 63 and name HN ) 3.0 1.2 1.0
assign (resid 63 and name HA ) (resid 64 and name HN ) 3.0 1.2 0.5

! L64
assign (resid 64 and name HD2# ) (resid 64 and name HN ) 4.0 2.2 1.5
assign (resid 64 and name HD1# ) (resid 64 and name HN ) 4.0 2.2 1.5
assign (resid 64 and name HB1 ) (resid 64 and name HN ) 4.0 2.2 1.0
assign (resid 64 and name HG ) (resid 64 and name HN ) 4.0 2.2 1.0
assign (resid 64 and name HB2 ) (resid 64 and name HN ) 4.0 2.2 2.0
assign (resid 64 and name HD2# ) (resid 65 and name HN ) 3.0 1.2 1.0
assign (resid 64 and name HA ) (resid 65 and name HN ) 3.0 1.2 0.5
assign (resid 64 and name HD2# ) (resid 66 and name HN ) 4.0 2.2 2.5
assign (resid 64 and name HA ) (resid 66 and name HN ) 4.0 2.2 1.0
assign (resid 64 and name HB1 ) (resid 66 and name HN ) 4.0 2.2 1.0

! V65
assign (resid 65 and name HG2# ) (resid 65 and name HN ) 2.5 0.7 0.9
assign (resid 65 and name HB ) (resid 65 and name HN ) 4.0 2.2 1.0
assign (resid 65 and name HB ) (resid 66 and name HN ) 3.0 1.2 0.5
assign (resid 65 and name HG2# ) (resid 66 and name HN ) 3.0 1.2 1.5
assign (resid 65 and name HA ) (resid 66 and name HN ) 3.0 1.2 0.5

! V66
assign (resid 66 and name HG* ) (resid 66 and name HN ) 2.5 0.7 0.9
assign (resid 66 and name HB ) (resid 66 and name HN ) 3.0 1.2 0.5
assign (resid 66 and name HA ) (resid 67 and name HN ) 2.5 0.7 0.4
assign (resid 66 and name HB ) (resid 67 and name HN ) 3.0 1.2 0.5

! T67
assign (resid 67 and name HG2# ) (resid 67 and name HN ) 3.0 1.2 1.0
assign (resid 67 and name HB ) (resid 67 and name HN ) 4.0 2.2 1.0
assign (resid 67 and name HG2# ) (resid 69 and name HN ) 4.0 2.2 1.5
assign (resid 67 and name HB ) (resid 69 and name HN ) 4.0 2.2 1.0
assign (resid 67 and name HA ) (resid 69 and name HN ) 3.0 1.2 0.5

! P68
assign (resid 68 and name HA ) (resid 69 and name HN ) 2.5 0.7 0.4
assign (resid 68 and name HB2 ) (resid 69 and name HN ) 4.0 2.2 1.0
assign (resid 68 and name HB1 ) (resid 69 and name HN ) 4.0 2.2 1.0

! A69
assign (resid 69 and name HB# ) (resid 69 and name HN ) 3.0 1.2 1.0
assign (resid 69 and name HB# ) (resid 70 and name HN ) 3.0 1.2 1.0
assign (resid 69 and name HA ) (resid 70 and name HN ) 3.0 1.2 0.5

! L70
assign (resid 70 and name HB2 ) (resid 70 and name HN ) 4.0 2.2 1.0
assign (resid 70 and name HB1 ) (resid 70 and name HN ) 4.0 2.2 1.0
assign (resid 70 and name HA ) (resid 71 and name HN ) 3.0 1.2 0.5
assign (resid 70 and name HD2# ) (resid 71 and name HN ) 4.0 2.2 1.5
assign (resid 70 and name HN ) (resid 86 and name HD* ) 3.0 1.2 1.0

! V71
assign (resid 71 and name HG2# ) (resid 71 and name HN ) 4.0 2.2 1.5
assign (resid 71 and name HG1# ) (resid 72 and name HN ) 3.0 1.2 1.0
assign (resid 71 and name HA ) (resid 72 and name HN ) 3.0 1.2 0.5

! K72
assign (resid 72 and name HB1 ) (resid 72 and name HN ) 3.0 1.2 0.5
assign (resid 72 and name HA ) (resid 73 and name HN ) 3.0 1.2 0.5
assign (resid 72 and name HG1 ) (resid 74 and name HN ) 4.0 2.2 1.5
assign (resid 72 and name HN ) (resid 80 and name HG* ) 4.0 2.2 1.5

! I73
assign (resid 73 and name HD1# ) (resid 73 and name HN ) 4.0 2.2 1.5
assign (resid 73 and name HG2# ) (resid 73 and name HN ) 3.0 1.2 1.0
assign (resid 73 and name HG12 ) (resid 73 and name HN ) 4.0 2.2 1.0
assign (resid 73 and name HB ) (resid 73 and name HN ) 4.0 2.2 1.0
assign (resid 73 and name HB ) (resid 74 and name HN ) 4.0 2.2 1.0
assign (resid 73 and name HD1# ) (resid 74 and name HN ) 4.0 2.2 1.5

! G74

! P75

! G76

! S77
assign (resid 77 and name HB2 ) (resid 78 and name HN ) 3.0 1.2 0.5
assign (resid 77 and name HA ) (resid 78 and name HN ) 3.0 1.2 0.5

! R78
assign (resid 78 and name HB1 ) (resid 78 and name HN ) 4.0 2.2 1.0
assign (resid 78 and name HG1 ) (resid 78 and name HN ) 4.0 2.2 1.0
assign (resid 78 and name HA ) (resid 79 and name HN ) 2.5 0.7 0.4

! Q79
assign (resid 79 and name HG# ) (resid 79 and name HN ) 4.0 2.2 1.5
assign (resid 79 and name HA ) (resid 80 and name HN ) 2.5 0.7 0.4
assign (resid 79 and name HG# ) (resid 80 and name HN ) 4.0 2.2 1.5

! V80
assign (resid 80 and name HG* ) (resid 80 and name HN ) 2.5 0.7 0.9
assign (resid 80 and name HB ) (resid 80 and name HN ) 3.0 1.2 0.5
assign (resid 80 and name HG* ) (resid 81 and name HN ) 3.0 1.2 1.0
assign (resid 80 and name HA ) (resid 81 and name HN ) 3.0 1.2 0.5
assign (resid 80 and name HG* ) (resid 82 and name HN ) 4.0 2.2 1.5

! L81
assign (resid 81 and name HD1# ) (resid 81 and name HN ) 4.0 2.2 1.5
assign (resid 81 and name HG ) (resid 81 and name HN ) 4.0 2.2 1.0
assign (resid 81 and name HD2# ) (resid 82 and name HN ) 3.0 1.2 1.0
assign (resid 81 and name HG ) (resid 82 and name HN ) 4.0 2.2 2.0
assign (resid 81 and name HB2 ) (resid 82 and name HN ) 4.0 2.2 1.0
assign (resid 81 and name HB1 ) (resid 82 and name HN ) 4.0 2.2 1.0
assign (resid 81 and name HA ) (resid 82 and name HN ) 2.5 0.7 0.4
assign (resid 81 and name HD1# ) (resid 90 and name HN ) 3.0 1.2 1.0
assign (resid 81 and name HD2# ) (resid 90 and name HN ) 3.0 1.2 1.0

! S82
assign (resid 82 and name HB1 ) (resid 82 and name HN ) 3.0 1.2 0.5
assign (resid 82 and name HB1 ) (resid 83 and name HN ) 3.0 1.2 0.5
assign (resid 82 and name HA ) (resid 83 and name HN ) 2.5 0.7 0.4
assign (resid 82 and name HN ) (resid 86 and name HD* ) 4.0 2.2 1.5

! G83
assign (resid 83 and name HA2 ) (resid 84 and name HN ) 3.0 1.2 0.5
assign (resid 83 and name HA1 ) (resid 84 and name HN ) 3.0 1.2 0.5
assign (resid 83 and name HN ) (resid 86 and name HD* ) 4.0 2.2 1.5

! I84
assign (resid 84 and name HG12 ) (resid 84 and name HN ) 4.0 2.2 1.0
assign (resid 84 and name HG2# ) (resid 84 and name HN ) 3.0 1.2 1.0
assign (resid 84 and name HB ) (resid 84 and name HN ) 4.0 2.2 1.0
assign (resid 84 and name HG11 ) (resid 85 and name HN ) 3.0 1.2 0.5
assign (resid 84 and name HA ) (resid 85 and name HN ) 3.0 1.2 0.5
assign (resid 84 and name HG2# ) (resid 85 and name HN ) 3.0 1.2 1.0
assign (resid 84 and name HB ) (resid 85 and name HN ) 4.0 2.2 1.0
assign (resid 84 and name HA ) (resid 86 and name HN ) 4.0 2.2 1.0

! D85
assign (resid 85 and name HB1 ) (resid 85 and name HN ) 3.0 1.2 0.5
assign (resid 85 and name HB2 ) (resid 85 and name HN ) 4.0 2.2 1.0
assign (resid 85 and name HA ) (resid 86 and name HN ) 3.0 1.2 0.5
assign (resid 85 and name HN ) (resid 86 and name HB2 ) 4.0 2.2 2.0

! L86
assign (resid 86 and name HG ) (resid 86 and name HN ) 3.0 1.2 0.5
assign (resid 86 and name HD* ) (resid 86 and name HN ) 3.0 1.2 1.0
assign (resid 86 and name HB1 ) (resid 86 and name HN ) 3.0 1.2 0.5
assign (resid 86 and name HB2 ) (resid 86 and name HN ) 3.0 1.2 0.5
assign (resid 86 and name HB1 ) (resid 87 and name HN ) 4.0 2.2 2.0
assign (resid 86 and name HB2 ) (resid 87 and name HN ) 4.0 2.2 1.0
assign (resid 86 and name HA ) (resid 87 and name HN ) 4.0 2.2 1.0
assign (resid 86 and name HD* ) (resid 87 and name HN ) 4.0 2.2 1.5

! T87
assign (resid 87 and name HG2# ) (resid 87 and name HN ) 2.5 0.7 0.9
assign (resid 87 and name HG2# ) (resid 88 and name HN ) 4.0 2.2 1.5
assign (resid 87 and name HA ) (resid 89 and name HN ) 4.0 2.2 2.0

! D88
assign (resid 88 and name HB1 ) (resid 88 and name HN ) 3.0 1.2 0.5
assign (resid 88 and name HA ) (resid 89 and name HN ) 4.0 2.2 1.0
assign (resid 88 and name HB2 ) (resid 89 and name HN ) 3.0 1.2 0.5
assign (resid 88 and name HA ) (resid 91 and name HN ) 4.0 2.2 1.0

! Q89
assign (resid 89 and name HB1 ) (resid 89 and name HN ) 3.0 1.2 0.5
assign (resid 89 and name HG# ) (resid 89 and name HN ) 3.0 1.2 1.0
assign (resid 89 and name HG# ) (resid 90 and name HN ) 4.0 2.2 1.5

! L90
assign (resid 90 and name HB2 ) (resid 90 and name HN ) 4.0 2.2 1.0
assign (resid 90 and name HD2# ) (resid 90 and name HN ) 4.0 2.2 1.5
assign (resid 90 and name HB1 ) (resid 90 and name HN ) 4.0 2.2 1.0
assign (resid 90 and name HB1 ) (resid 91 and name HN ) 4.0 2.2 1.0
assign (resid 90 and name HB2 ) (resid 91 and name HN ) 4.0 2.2 1.0

! A91
assign (resid 91 and name HB# ) (resid 91 and name HN ) 2.5 0.7 0.9
assign (resid 91 and name HB# ) (resid 92 and name HN ) 3.0 1.2 1.0
assign (resid 91 and name HA ) (resid 92 and name HN ) 4.0 2.2 1.0

! N92
assign (resid 92 and name HB2 ) (resid 92 and name HN ) 2.5 0.7 0.4
assign (resid 92 and name HA ) (resid 93 and name HN ) 4.0 2.2 1.0
assign (resid 92 and name HB1 ) (resid 93 and name HN ) 3.0 1.2 0.5
assign (resid 92 and name HA ) (resid 94 and name HN ) 4.0 2.2 2.0

! Q93
assign (resid 93 and name HB2 ) (resid 93 and name HN ) 3.0 1.2 0.5
assign (resid 93 and name HG1 ) (resid 93 and name HN ) 4.0 2.2 1.0
assign (resid 93 and name HG2 ) (resid 93 and name HN ) 3.0 1.2 0.5
assign (resid 93 and name HB2 ) (resid 94 and name HN ) 4.0 2.2 1.0
assign (resid 93 and name HA ) (resid 94 and name HN ) 4.0 2.2 1.0
assign (resid 93 and name HN ) (resid 95 and name HD2 ) 4.0 2.2 1.0
assign (resid 93 and name HB1 ) (resid 97 and name HE1 ) 4.0 2.2 1.0

! L94
assign (resid 94 and name HG ) (resid 94 and name HN ) 4.0 2.2 1.0
assign (resid 94 and name HB1 ) (resid 94 and name HN ) 3.0 1.2 0.5
assign (resid 94 and name HB2 ) (resid 94 and name HN ) 3.0 1.2 0.5
assign (resid 94 and name HN ) (resid 95 and name HD1 ) 3.0 1.2 0.5
assign (resid 94 and name HN ) (resid 95 and name HD2 ) 4.0 2.2 1.0
assign (resid 94 and name HA ) (resid 98 and name HN ) 4.0 2.2 2.0

! P95
assign (resid 95 and name HA ) (resid 96 and name HN ) 4.0 2.2 1.0
assign (resid 95 and name HD1 ) (resid 96 and name HN ) 4.0 2.2 1.0

! Q96
assign (resid 96 and name HB# ) (resid 96 and name HN ) 2.5 0.7 0.9
assign (resid 96 and name HG# ) (resid 96 and name HN ) 3.0 1.2 1.0
assign (resid 96 and name HB# ) (resid 97 and name HN ) 3.0 1.2 1.0
assign (resid 96 and name HG# ) (resid 97 and name HN ) 3.0 1.2 1.0
assign (resid 96 and name HA ) (resid 99 and name HN ) 4.0 2.2 1.0

! W97
assign (resid 97 and name HA ) (resid 97 and name HE1 ) 4.0 2.2 1.0
assign (resid 97 and name HB1 ) (resid 97 and name HN ) 4.0 2.2 1.0
assign (resid 97 and name HB2 ) (resid 97 and name HN ) 3.0 1.2 0.5
assign (resid 97 and name HD1 ) (resid 97 and name HN ) 4.0 2.2 1.0

! L98
assign (resid 98 and name HG ) (resid 98 and name HN ) 3.0 1.2 0.5
assign (resid 98 and name HD2# ) (resid 98 and name HN ) 4.0 2.2 1.5
assign (resid 98 and name HB2 ) (resid 98 and name HN ) 3.0 1.2 0.5
assign (resid 98 and name HB1 ) (resid 98 and name HN ) 3.0 1.2 0.5
assign (resid 98 and name HA ) (resid 99 and name HN ) 3.0 1.2 0.5
assign (resid 98 and name HB2 ) (resid 99 and name HN ) 4.0 2.2 1.0
assign (resid 98 and name HB1 ) (resid 99 and name HN ) 4.0 2.2 1.0
assign (resid 98 and name HN ) (resid 99 and name HG2# ) 4.0 2.2 1.5

! V99
assign (resid 99 and name HG* ) (resid 99 and name HN ) 2.5 0.7 0.9
assign (resid 99 and name HB ) (resid 99 and name HN ) 2.5 0.7 0.4
assign (resid 99 and name HB ) (resid 100 and name HN ) 4.0 2.2 1.0
assign (resid 99 and name HA ) (resid 100 and name HN ) 3.0 1.2 0.5
assign (resid 99 and name HG2# ) (resid 100 and name HN ) 4.0 2.2 1.5

! Q100
assign (resid 100 and name HB# ) (resid 100 and name HN ) 2.5 0.7 0.9
assign (resid 100 and name HG# ) (resid 100 and name HN ) 3.0 1.2 1.0
assign (resid 100 and name HA ) (resid 101 and name HN ) 2.5 0.7 0.4

! Q101
assign (resid 101 and name HB2 ) (resid 101 and name HN ) 3.0 1.2 0.5
assign (resid 101 and name HG# ) (resid 101 and name HN ) 2.5 0.7 0.9

! A10
assign (resid 10 and name HN ) (resid 43 and name HG1# ) 4.0 2.2 1.5

! Q11
assign (resid 11 and name HB2 ) (resid 11 and name HN ) 3.0 1.2 0.5
assign (resid 11 and name HG# ) (resid 11 and name HN ) 3.0 1.2 1.0
assign (resid 11 and name HE21 ) (resid 14 and name HD2# ) 4.0 2.2 1.5
assign (resid 11 and name HN ) (resid 43 and name HG1# ) 4.0 2.2 1.5
assign (resid 11 and name HN ) (resid 75 and name HB1 ) 4.0 2.2 2.0

! P12
assign (resid 12 and name HB1 ) (resid 13 and name HN ) 4.0 2.2 1.0
assign (resid 12 and name HB1 ) (resid 46 and name HN ) 4.0 2.2 1.0

! L13
assign (resid 13 and name HD2# ) (resid 13 and name HN ) 3.0 1.2 1.0
assign (resid 13 and name HB1 ) (resid 14 and name HN ) 4.0 2.2 1.0
assign (resid 13 and name HB2 ) (resid 14 and name HN ) 4.0 2.2 1.0
assign (resid 13 and name HN ) (resid 14 and name HN ) 4.0 2.2 2.0
assign (resid 13 and name HD1# ) (resid 15 and name HN ) 4.0 2.2 1.5
assign (resid 13 and name HN ) (resid 45 and name HA ) 4.0 2.2 1.0
assign (resid 13 and name HD2# ) (resid 46 and name HN ) 3.0 1.2 1.0
assign (resid 13 and name HB1 ) (resid 46 and name HN ) 4.0 2.2 1.0
assign (resid 13 and name HD1# ) (resid 46 and name HN ) 4.0 2.2 1.5
assign (resid 13 and name HB2 ) (resid 46 and name HN ) 4.0 2.2 1.0
assign (resid 13 and name HD2# ) (resid 74 and name HN ) 4.0 2.2 1.5

! L14
assign (resid 14 and name HB1 ) (resid 14 and name HN ) 3.0 1.2 0.5
assign (resid 14 and name HD2# ) (resid 14 and name HN ) 3.0 1.2 1.0
assign (resid 14 and name HD1# ) (resid 14 and name HN ) 3.0 1.2 1.0
assign (resid 14 and name HN ) (resid 15 and name HN ) 4.0 2.2 2.0
assign (resid 14 and name HB2 ) (resid 15 and name HN ) 4.0 2.2 1.0
assign (resid 14 and name HG ) (resid 15 and name HN ) 4.0 2.2 2.0
assign (resid 14 and name HA ) (resid 46 and name HN ) 3.0 1.2 0.5
assign (resid 14 and name HD2# ) (resid 46 and name HN ) 4.0 2.2 1.5
assign (resid 14 and name HN ) (resid 73 and name HN ) 4.0 2.2 2.0
assign (resid 14 and name HB2 ) (resid 73 and name HN ) 4.0 2.2 2.0
assign (resid 14 and name HN ) (resid 74 and name HN ) 3.0 1.2 0.5
assign (resid 14 and name HB1 ) (resid 74 and name HN ) 4.0 2.2 1.0
assign (resid 14 and name HG ) (resid 74 and name HN ) 4.0 2.2 2.0
assign (resid 14 and name HN ) (resid 75 and name HD2 ) 4.0 2.2 1.0
assign (resid 14 and name HN ) (resid 75 and name HD1 ) 4.0 2.2 1.0

! L15
assign (resid 15 and name HB1 ) (resid 15 and name HN ) 4.0 2.2 1.0
assign (resid 15 and name HB2 ) (resid 15 and name HN ) 4.0 2.2 1.0
assign (resid 15 and name HD1# ) (resid 15 and name HN ) 3.0 1.2 1.0
assign (resid 15 and name HN ) (resid 16 and name HN ) 4.0 2.2 1.0
assign (resid 15 and name HB2 ) (resid 16 and name HN ) 4.0 2.2 1.0
assign (resid 15 and name HN ) (resid 45 and name HA ) 4.0 2.2 2.0
assign (resid 15 and name HN ) (resid 45 and name HG2# ) 3.0 1.2 1.0
assign (resid 15 and name HN ) (resid 46 and name HN ) 4.0 2.2 1.0
assign (resid 15 and name HN ) (resid 46 and name HB1 ) 4.0 2.2 1.0
assign (resid 15 and name HN ) (resid 47 and name HA ) 4.0 2.2 1.0
assign (resid 15 and name HN ) (resid 48 and name HN ) 4.0 2.2 1.0
assign (resid 15 and name HD1# ) (resid 48 and name HN ) 4.0 2.2 1.5
assign (resid 15 and name HN ) (resid 48 and name HB2 ) 4.0 2.2 1.0
assign (resid 15 and name HD2# ) (resid 72 and name HN ) 3.0 1.2 1.0
assign (resid 15 and name HA ) (resid 73 and name HN ) 4.0 2.2 1.0

! Q16
assign (resid 16 and name HB2 ) (resid 16 and name HN ) 3.0 1.2 0.5
assign (resid 16 and name HB1 ) (resid 17 and name HN ) 4.0 2.2 1.0
assign (resid 16 and name HB2 ) (resid 17 and name HN ) 4.0 2.2 1.0
assign (resid 16 and name HG2 ) (resid 17 and name HN ) 4.0 2.2 1.0
assign (resid 16 and name HA ) (resid 48 and name HN ) 4.0 2.2 1.0
assign (resid 16 and name HG2 ) (resid 48 and name HN ) 4.0 2.2 1.0
assign (resid 16 and name HN ) (resid 48 and name HN ) 4.0 2.2 1.0
assign (resid 16 and name HG2 ) (resid 49 and name HN ) 4.0 2.2 1.0
assign (resid 16 and name HN ) (resid 70 and name HG ) 4.0 2.2 1.0
assign (resid 16 and name HN ) (resid 71 and name HN ) 3.0 1.2 0.5
assign (resid 16 and name HA ) (resid 71 and name HN ) 4.0 2.2 2.0
assign (resid 16 and name HN ) (resid 71 and name HA ) 4.0 2.2 1.0
assign (resid 16 and name HN ) (resid 72 and name HA ) 4.0 2.2 1.0
assign (resid 16 and name HN ) (resid 73 and name HN ) 4.0 2.2 1.0

! L17
assign (resid 17 and name HG ) (resid 17 and name HN ) 4.0 2.2 2.0
assign (resid 17 and name HG ) (resid 18 and name HN ) 4.0 2.2 2.0
assign (resid 17 and name HB1 ) (resid 18 and name HN ) 4.0 2.2 2.0
assign (resid 17 and name HB2 ) (resid 18 and name HN ) 4.0 2.2 1.0
assign (resid 17 and name HN ) (resid 48 and name HN ) 4.0 2.2 2.0
assign (resid 17 and name HN ) (resid 49 and name HA ) 4.0 2.2 1.0
assign (resid 17 and name HB2 ) (resid 50 and name HN ) 4.0 2.2 2.0
assign (resid 17 and name HB1 ) (resid 50 and name HN ) 4.0 2.2 1.0
assign (resid 17 and name HD1# ) (resid 70 and name HN ) 4.0 2.2 1.5
assign (resid 17 and name HA ) (resid 71 and name HN ) 4.0 2.2 1.0

! F18
assign (resid 18 and name HB2 ) (resid 19 and name HN ) 4.0 2.2 1.0
assign (resid 18 and name HB1 ) (resid 19 and name HN ) 4.0 2.2 1.0
assign (resid 18 and name HD# ) (resid 52 and name HN ) 4.0 2.2 1.0
assign (resid 18 and name HE# ) (resid 58 and name HN ) 4.0 2.2 1.0
assign (resid 18 and name HN ) (resid 64 and name HD1# ) 4.0 2.2 2.5
assign (resid 18 and name HN ) (resid 69 and name HN ) 3.0 1.2 0.5
assign (resid 18 and name HD# ) (resid 69 and name HN ) 4.0 2.2 1.0
assign (resid 18 and name HN ) (resid 70 and name HA ) 4.0 2.2 1.0
assign (resid 18 and name HN ) (resid 70 and name HD2# ) 4.0 2.2 1.5
assign (resid 18 and name HN ) (resid 71 and name HN ) 4.0 2.2 1.0
assign (resid 18 and name HN ) (resid 86 and name HD* ) 4.0 2.2 1.5

! V19
assign (resid 19 and name HB ) (resid 19 and name HN ) 4.0 2.2 1.0
assign (resid 19 and name HG1# ) (resid 20 and name HN ) 3.0 1.2 1.0
assign (resid 19 and name HN ) (resid 20 and name HN ) 4.0 2.2 1.0
assign (resid 19 and name HG2# ) (resid 25 and name HN ) 4.0 2.2 2.5
assign (resid 19 and name HG1# ) (resid 25 and name HN ) 4.0 2.2 1.5
assign (resid 19 and name HB ) (resid 25 and name HN ) 4.0 2.2 1.0
assign (resid 19 and name HG1# ) (resid 26 and name HN ) 4.0 2.2 1.5
assign (resid 19 and name HN ) (resid 50 and name HN ) 3.0 1.2 0.5
assign (resid 19 and name HN ) (resid 51 and name HN ) 4.0 2.2 1.0
assign (resid 19 and name HG2# ) (resid 51 and name HD21 ) 4.0 2.2 1.5
assign (resid 19 and name HG2# ) (resid 51 and name HD22 ) 4.0 2.2 1.5
assign (resid 19 and name HN ) (resid 52 and name HN ) 3.0 1.2 0.5
assign (resid 19 and name HG2# ) (resid 53 and name HN ) 4.0 2.2 1.5
assign (resid 19 and name HN ) (resid 53 and name HN ) 4.0 2.2 2.0
assign (resid 19 and name HA ) (resid 69 and name HN ) 4.0 2.2 1.0

! D20
assign (resid 20 and name HB1 ) (resid 20 and name HN ) 4.0 2.2 1.0
assign (resid 20 and name HB1 ) (resid 21 and name HN ) 4.0 2.2 1.0
assign (resid 20 and name HN ) (resid 22 and name HN ) 4.0 2.2 2.0
assign (resid 20 and name HB1 ) (resid 22 and name HN ) 4.0 2.2 1.0
assign (resid 20 and name HB2 ) (resid 22 and name HN ) 4.0 2.2 1.0
assign (resid 20 and name HN ) (resid 25 and name HB# ) 4.0 2.2 1.5
assign (resid 20 and name HN ) (resid 52 and name HG2# ) 4.0 2.2 1.5
assign (resid 20 and name HN ) (resid 67 and name HG2# ) 4.0 2.2 1.5

! T21
assign (resid 21 and name HN ) (resid 22 and name HN ) 4.0 2.2 2.0
assign (resid 21 and name HG2# ) (resid 51 and name HD21 ) 3.0 1.2 0.8
assign (resid 21 and name HG2# ) (resid 51 and name HD22 ) 3.0 1.2 0.8
assign (resid 21 and name HN ) (resid 52 and name HG2# ) 4.0 2.2 2.5
assign (resid 21 and name HG2# ) (resid 52 and name HN ) 4.0 2.2 2.5
assign (resid 21 and name HG2# ) (resid 53 and name HN ) 4.0 2.2 1.5

! R22
assign (resid 22 and name HG# ) (resid 22 and name HN ) 3.0 1.2 1.0
assign (resid 22 and name HD2 ) (resid 22 and name HN ) 4.0 2.2 1.0
assign (resid 22 and name HN ) (resid 23 and name HD2 ) 4.0 2.2 1.0
assign (resid 22 and name HB# ) (resid 25 and name HN ) 3.0 1.2 1.0
assign (resid 22 and name HG# ) (resid 25 and name HN ) 3.0 1.2 0.5
assign (resid 22 and name HN ) (resid 25 and name HN ) 4.0 2.2 2.0

! P23
assign (resid 23 and name HD2 ) (resid 25 and name HN ) 4.0 2.2 1.0

! L24
assign (resid 24 and name HD2# ) (resid 25 and name HN ) 3.0 1.2 1.0
assign (resid 24 and name HN ) (resid 25 and name HN ) 4.0 2.2 2.0

! S25
assign (resid 25 and name HB# ) (resid 26 and name HN ) 3.0 1.2 1.0
assign (resid 25 and name HA ) (resid 26 and name HN ) 4.0 2.2 1.0
assign (resid 25 and name HN ) (resid 26 and name HG# ) 4.0 2.2 1.5
assign (resid 25 and name HA ) (resid 27 and name HN ) 4.0 2.2 1.0
assign (resid 25 and name HA ) (resid 28 and name HN ) 4.0 2.2 1.0
assign (resid 25 and name HN ) (resid 28 and name HB ) 4.0 2.2 1.0
assign (resid 25 and name HA ) (resid 29 and name HN ) 4.0 2.2 1.0

! Q26
assign (resid 26 and name HN ) (resid 27 and name HN ) 4.0 2.2 1.0
assign (resid 26 and name HN ) (resid 27 and name HB# ) 4.0 2.2 2.5
assign (resid 26 and name HA ) (resid 28 and name HN ) 4.0 2.2 1.0
assign (resid 26 and name HN ) (resid 29 and name HN ) 4.0 2.2 2.0
assign (resid 26 and name HA ) (resid 29 and name HN ) 3.0 1.2 0.5
assign (resid 26 and name HN ) (resid 29 and name HG2# ) 4.0 2.2 2.5
assign (resid 26 and name HA ) (resid 30 and name HN ) 4.0 2.2 1.0

! H27
assign (resid 27 and name HA ) (resid 29 and name HN ) 4.0 2.2 2.0
assign (resid 27 and name HN ) (resid 29 and name HB ) 4.0 2.2 2.0
assign (resid 27 and name HA ) (resid 30 and name HN ) 4.0 2.2 1.0
assign (resid 27 and name HA ) (resid 31 and name HN ) 4.0 2.2 1.0

! I28
assign (resid 28 and name HN ) (resid 29 and name HN ) 3.0 1.2 0.5
assign (resid 28 and name HN ) (resid 30 and name HN ) 4.0 2.2 1.0
assign (resid 28 and name HA ) (resid 32 and name HN ) 4.0 2.2 1.0
assign (resid 28 and name HN ) (resid 68 and name HG# ) 4.0 2.2 1.5
assign (resid 28 and name HG2# ) (resid 84 and name HN ) 4.0 2.2 1.5
assign (resid 28 and name HG2# ) (resid 87 and name HN ) 4.0 2.2 1.5

! V29
assign (resid 29 and name HN ) (resid 30 and name HN ) 3.0 1.2 0.5
assign (resid 29 and name HG1# ) (resid 30 and name HN ) 3.0 1.2 1.0
assign (resid 29 and name HA ) (resid 30 and name HN ) 3.0 1.2 0.5
assign (resid 29 and name HA ) (resid 31 and name HN ) 4.0 2.2 1.0
assign (resid 29 and name HN ) (resid 32 and name HN ) 4.0 2.2 1.0
assign (resid 29 and name HG2# ) (resid 32 and name HN ) 4.0 2.2 1.5
assign (resid 29 and name HA ) (resid 32 and name HN ) 3.0 1.2 0.5
assign (resid 29 and name HA ) (resid 33 and name HN ) 4.0 2.2 1.0
assign (resid 29 and name HG2# ) (resid 33 and name HN ) 4.0 2.2 2.5

! Q30
assign (resid 30 and name HA ) (resid 30 and name HE22 ) 4.0 2.2 2.0
assign (resid 30 and name HA ) (resid 30 and name HE21 ) 4.0 2.2 1.0
assign (resid 30 and name HN ) (resid 31 and name HN ) 3.0 1.2 0.5
assign (resid 30 and name HN ) (resid 31 and name HB# ) 4.0 2.2 1.5
assign (resid 30 and name HA ) (resid 32 and name HN ) 4.0 2.2 1.0
assign (resid 30 and name HN ) (resid 32 and name HN ) 4.0 2.2 2.0
assign (resid 30 and name HN ) (resid 33 and name HN ) 4.0 2.2 1.0
assign (resid 30 and name HE22 ) (resid 33 and name HB2 ) 4.0 2.2 2.0
assign (resid 30 and name HE21 ) (resid 33 and name HB2 ) 4.0 2.2 2.0
assign (resid 30 and name HE22 ) (resid 33 and name HD# ) 4.0 2.2 1.5
assign (resid 30 and name HG# ) (resid 34 and name HD21 ) 4.0 2.2 1.5
assign (resid 30 and name HG# ) (resid 34 and name HD22 ) 3.0 1.2 0.8

! R31
assign (resid 31 and name HG1 ) (resid 31 and name HN ) 3.0 1.2 0.5
assign (resid 31 and name HG1 ) (resid 32 and name HN ) 4.0 2.2 1.0
assign (resid 31 and name HN ) (resid 32 and name HN ) 3.0 1.2 0.5
assign (resid 31 and name HG2 ) (resid 32 and name HN ) 4.0 2.2 1.0
assign (resid 31 and name HN ) (resid 32 and name HA ) 4.0 2.2 2.0
assign (resid 31 and name HN ) (resid 33 and name HN ) 4.0 2.2 1.0
assign (resid 31 and name HN ) (resid 34 and name HN ) 4.0 2.2 1.0
assign (resid 31 and name HN ) (resid 34 and name HB2 ) 4.0 2.2 2.0
assign (resid 31 and name HA ) (resid 34 and name HD21 ) 4.0 2.2 1.0
assign (resid 31 and name HA ) (resid 34 and name HD22 ) 4.0 2.2 1.0
assign (resid 31 and name HG2 ) (resid 35 and name HN ) 4.0 2.2 2.0
assign (resid 31 and name HN ) (resid 35 and name HD1# ) 4.0 2.2 2.5
assign (resid 31 and name HA ) (resid 35 and name HN ) 4.0 2.2 1.0
assign (resid 31 and name HN ) (resid 87 and name HG2# ) 4.0 2.2 1.5

! V32
assign (resid 32 and name HN ) (resid 33 and name HN ) 3.0 1.2 0.5
assign (resid 32 and name HN ) (resid 34 and name HN ) 4.0 2.2 1.0
assign (resid 32 and name HG1# ) (resid 34 and name HN ) 4.0 2.2 1.5
assign (resid 32 and name HB ) (resid 34 and name HN ) 4.0 2.2 1.0
assign (resid 32 and name HG2# ) (resid 34 and name HN ) 4.0 2.2 1.5
assign (resid 32 and name HA ) (resid 34 and name HN ) 4.0 2.2 2.0

! K33
assign (resid 33 and name HG1 ) (resid 33 and name HN ) 2.5 0.7 0.4
assign (resid 33 and name HB2 ) (resid 33 and name HN ) 3.0 1.2 0.5
assign (resid 33 and name HE1 ) (resid 33 and name HN ) 4.0 2.2 2.0
assign (resid 33 and name HG2 ) (resid 34 and name HN ) 4.0 2.2 2.0
assign (resid 33 and name HN ) (resid 34 and name HN ) 3.0 1.2 0.5
assign (resid 33 and name HB2 ) (resid 34 and name HN ) 3.0 1.2 0.5
assign (resid 33 and name HG1 ) (resid 34 and name HN ) 4.0 2.2 1.0
assign (resid 33 and name HN ) (resid 35 and name HN ) 4.0 2.2 1.0
assign (resid 33 and name HA ) (resid 37 and name HN ) 4.0 2.2 1.0
assign (resid 33 and name HN ) (resid 47 and name HD1# ) 3.0 1.2 1.0

! N34
assign (resid 34 and name HD21 ) (resid 34 and name HN ) 4.0 2.2 2.0
assign (resid 34 and name HA ) (resid 34 and name HD22 ) 4.0 2.2 1.0
assign (resid 34 and name HA ) (resid 34 and name HD21 ) 4.0 2.2 1.0
assign (resid 34 and name HB1 ) (resid 35 and name HN ) 3.0 1.2 0.5
assign (resid 34 and name HN ) (resid 35 and name HN ) 3.0 1.2 0.5
assign (resid 34 and name HA ) (resid 35 and name HN ) 4.0 2.2 1.0
assign (resid 34 and name HN ) (resid 35 and name HD1# ) 4.0 2.2 1.5
assign (resid 34 and name HN ) (resid 36 and name HN ) 4.0 2.2 1.0
assign (resid 34 and name HN ) (resid 37 and name HN ) 4.0 2.2 1.0
assign (resid 34 and name HA ) (resid 38 and name HN ) 4.0 2.2 1.0

! I35
assign (resid 35 and name HG12 ) (resid 36 and name HN ) 4.0 2.2 1.0
assign (resid 35 and name HN ) (resid 37 and name HN ) 4.0 2.2 1.0
assign (resid 35 and name HA ) (resid 37 and name HN ) 4.0 2.2 1.0
assign (resid 35 and name HN ) (resid 38 and name HB# ) 4.0 2.2 1.5
assign (resid 35 and name HG2# ) (resid 38 and name HN ) 4.0 2.2 1.5
assign (resid 35 and name HB ) (resid 38 and name HN ) 4.0 2.2 1.0
assign (resid 35 and name HG2# ) (resid 39 and name HN ) 4.0 2.2 1.5
assign (resid 35 and name HD1# ) (resid 88 and name HN ) 4.0 2.2 2.5
assign (resid 35 and name HG2# ) (resid 92 and name HN ) 4.0 2.2 2.5

! L36
assign (resid 36 and name HN ) (resid 37 and name HN ) 3.0 1.2 0.5
assign (resid 36 and name HN ) (resid 37 and name HA ) 4.0 2.2 2.0
assign (resid 36 and name HB2 ) (resid 38 and name HN ) 4.0 2.2 1.0
assign (resid 36 and name HN ) (resid 38 and name HN ) 4.0 2.2 1.0
assign (resid 36 and name HB1 ) (resid 45 and name HN ) 4.0 2.2 1.0
assign (resid 36 and name HD1# ) (resid 47 and name HN ) 4.0 2.2 1.5

! A37
assign (resid 37 and name HN ) (resid 38 and name HA ) 4.0 2.2 1.0
assign (resid 37 and name HN ) (resid 38 and name HN ) 2.5 0.7 0.4
assign (resid 37 and name HA ) (resid 38 and name HN ) 3.0 1.2 0.5
assign (resid 37 and name HN ) (resid 39 and name HN ) 4.0 2.2 1.0
assign (resid 37 and name HA ) (resid 39 and name HN ) 4.0 2.2 1.0
assign (resid 37 and name HA ) (resid 40 and name HN ) 4.0 2.2 1.0

! A38
assign (resid 38 and name HN ) (resid 39 and name HB ) 4.0 2.2 1.0
assign (resid 38 and name HN ) (resid 39 and name HA ) 4.0 2.2 1.0
assign (resid 38 and name HN ) (resid 45 and name HD1# ) 4.0 2.2 1.5
assign (resid 38 and name HN ) (resid 94 and name HD2# ) 4.0 2.2 1.5

! V39
assign (resid 39 and name HN ) (resid 40 and name HN ) 3.0 1.2 0.5
assign (resid 39 and name HN ) (resid 40 and name HB# ) 4.0 2.2 1.5
assign (resid 39 and name HN ) (resid 94 and name HD2# ) 4.0 2.2 1.5

! E40
assign (resid 40 and name HN ) (resid 45 and name HD1# ) 4.0 2.2 1.5

! A41
assign (resid 41 and name HN ) (resid 42 and name HN ) 4.0 2.2 1.0

! T42
assign (resid 42 and name HN ) (resid 43 and name HN ) 4.0 2.2 1.0

! V43
assign (resid 43 and name HN ) (resid 44 and name HD1 ) 4.0 2.2 2.0

! P44
assign (resid 44 and name HB2 ) (resid 46 and name HN ) 4.0 2.2 2.0

! I45
assign (resid 45 and name HG12 ) (resid 45 and name HN ) 4.0 2.2 1.0
assign (resid 45 and name HB ) (resid 46 and name HN ) 4.0 2.2 1.0
assign (resid 45 and name HN ) (resid 46 and name HN ) 4.0 2.2 1.0
assign (resid 45 and name HG2# ) (resid 47 and name HN ) 4.0 2.2 1.5

! S46
assign (resid 46 and name HB1 ) (resid 47 and name HN ) 4.0 2.2 1.0
assign (resid 46 and name HB2 ) (resid 47 and name HN ) 4.0 2.2 1.0
assign (resid 46 and name HN ) (resid 47 and name HN ) 4.0 2.2 1.0

! L47
assign (resid 47 and name HG ) (resid 47 and name HN ) 4.0 2.2 1.0
assign (resid 47 and name HN ) (resid 48 and name HN ) 4.0 2.2 1.0
assign (resid 47 and name HG ) (resid 48 and name HN ) 4.0 2.2 1.0
assign (resid 47 and name HB2 ) (resid 48 and name HN ) 4.0 2.2 1.0
assign (resid 47 and name HD1# ) (resid 49 and name HN ) 4.0 2.2 1.5

! Q48
assign (resid 48 and name HB1 ) (resid 48 and name HN ) 3.0 1.2 0.5
assign (resid 48 and name HN ) (resid 49 and name HN ) 4.0 2.2 2.0
assign (resid 48 and name HG# ) (resid 49 and name HN ) 4.0 2.2 1.5

! V49
assign (resid 49 and name HB ) (resid 50 and name HN ) 4.0 2.2 1.0
assign (resid 49 and name HN ) (resid 50 and name HN ) 4.0 2.2 1.0

! I50
assign (resid 50 and name HG12 ) (resid 50 and name HN ) 3.0 1.2 0.5
assign (resid 50 and name HN ) (resid 51 and name HA ) 4.0 2.2 2.0
assign (resid 50 and name HN ) (resid 51 and name HN ) 4.0 2.2 1.0
assign (resid 50 and name HB ) (resid 52 and name HN ) 4.0 2.2 1.0
assign (resid 50 and name HG2# ) (resid 54 and name HN ) 4.0 2.2 2.5
assign (resid 50 and name HG2# ) (resid 55 and name HN ) 4.0 2.2 1.5
assign (resid 50 and name HB ) (resid 55 and name HE21 ) 4.0 2.2 1.0
assign (resid 50 and name HB ) (resid 55 and name HE22 ) 4.0 2.2 1.0
assign (resid 50 and name HG2# ) (resid 55 and name HE21 ) 4.0 2.2 1.5
assign (resid 50 and name HG2# ) (resid 55 and name HE22 ) 4.0 2.2 1.5

! N51
assign (resid 51 and name HD21 ) (resid 51 and name HN ) 4.0 2.2 1.0
assign (resid 51 and name HA ) (resid 51 and name HD21 ) 4.0 2.2 1.0
assign (resid 51 and name HA ) (resid 51 and name HD22 ) 4.0 2.2 1.0
assign (resid 51 and name HN ) (resid 52 and name HA ) 4.0 2.2 2.0
assign (resid 51 and name HB1 ) (resid 52 and name HN ) 4.0 2.2 1.0
assign (resid 51 and name HD22 ) (resid 53 and name HB# ) 4.0 2.2 1.5
assign (resid 51 and name HD21 ) (resid 53 and name HB# ) 4.0 2.2 1.5
assign (resid 51 and name HA ) (resid 54 and name HN ) 4.0 2.2 2.0

! V52
assign (resid 52 and name HN ) (resid 53 and name HN ) 3.0 1.2 0.5
assign (resid 52 and name HN ) (resid 54 and name HN ) 4.0 2.2 2.0
assign (resid 52 and name HA ) (resid 54 and name HN ) 4.0 2.2 1.0
assign (resid 52 and name HG2# ) (resid 54 and name HN ) 4.0 2.2 1.5
assign (resid 52 and name HG1# ) (resid 69 and name HN ) 4.0 2.2 2.5

! A53
assign (resid 53 and name HN ) (resid 54 and name HN ) 3.0 1.2 0.5
assign (resid 53 and name HN ) (resid 54 and name HA ) 4.0 2.2 1.0
assign (resid 53 and name HN ) (resid 55 and name HN ) 4.0 2.2 1.0
assign (resid 53 and name HA ) (resid 55 and name HN ) 4.0 2.2 1.0

! D54
assign (resid 54 and name HN ) (resid 55 and name HN ) 2.5 0.7 0.4
assign (resid 54 and name HN ) (resid 55 and name HG# ) 4.0 2.2 1.5
assign (resid 54 and name HN ) (resid 55 and name HB1 ) 4.0 2.2 1.0
assign (resid 54 and name HB# ) (resid 55 and name HE22 ) 4.0 2.2 2.5
assign (resid 54 and name HB# ) (resid 55 and name HE21 ) 4.0 2.2 1.5
assign (resid 54 and name HN ) (resid 56 and name HD1 ) 4.0 2.2 2.0

! Q55
assign (resid 55 and name HB2 ) (resid 55 and name HN ) 4.0 2.2 1.0
assign (resid 55 and name HN ) (resid 56 and name HG# ) 4.0 2.2 2.5
assign (resid 55 and name HG# ) (resid 58 and name HN ) 4.0 2.2 1.5
assign (resid 55 and name HN ) (resid 58 and name HD1# ) 4.0 2.2 2.5

! P56
assign (resid 56 and name HB2 ) (resid 57 and name HN ) 3.0 1.2 0.5
assign (resid 56 and name HA ) (resid 58 and name HN ) 4.0 2.2 1.0
assign (resid 56 and name HA ) (resid 60 and name HN ) 4.0 2.2 2.0

! Q57
assign (resid 57 and name HB2 ) (resid 57 and name HN ) 4.0 2.2 1.0
assign (resid 57 and name HG1 ) (resid 57 and name HN ) 4.0 2.2 1.0
assign (resid 57 and name HG1 ) (resid 58 and name HN ) 4.0 2.2 1.0
assign (resid 57 and name HN ) (resid 58 and name HN ) 4.0 2.2 1.0
assign (resid 57 and name HB1 ) (resid 59 and name HN ) 4.0 2.2 1.0
assign (resid 57 and name HA ) (resid 59 and name HN ) 4.0 2.2 2.0
assign (resid 57 and name HA ) (resid 60 and name HN ) 4.0 2.2 1.0
assign (resid 57 and name HA ) (resid 61 and name HN ) 4.0 2.2 1.0

! L58
assign (resid 58 and name HB1 ) (resid 58 and name HN ) 3.0 1.2 0.5
assign (resid 58 and name HN ) (resid 59 and name HB ) 4.0 2.2 1.0
assign (resid 58 and name HN ) (resid 59 and name HN ) 3.0 1.2 0.5
assign (resid 58 and name HD1# ) (resid 59 and name HN ) 3.0 1.2 1.0
assign (resid 58 and name HA ) (resid 59 and name HN ) 4.0 2.2 1.0
assign (resid 58 and name HB1 ) (resid 59 and name HN ) 4.0 2.2 1.0
assign (resid 58 and name HB2 ) (resid 62 and name HN ) 4.0 2.2 2.0
assign (resid 58 and name HD1# ) (resid 62 and name HN ) 4.0 2.2 1.5
assign (resid 58 and name HA ) (resid 62 and name HN ) 4.0 2.2 1.0

! V59
assign (resid 59 and name HN ) (resid 60 and name HN ) 3.0 1.2 0.5
assign (resid 59 and name HA ) (resid 60 and name HN ) 4.0 2.2 1.0
assign (resid 59 and name HG1# ) (resid 60 and name HN ) 3.0 1.2 1.0
assign (resid 59 and name HG2# ) (resid 60 and name HN ) 4.0 2.2 1.5
assign (resid 59 and name HB ) (resid 61 and name HN ) 4.0 2.2 1.0
assign (resid 59 and name HN ) (resid 61 and name HN ) 4.0 2.2 2.0
assign (resid 59 and name HG1# ) (resid 63 and name HN ) 4.0 2.2 1.5
assign (resid 59 and name HG1# ) (resid 64 and name HN ) 3.0 1.2 1.0

! E60
assign (resid 60 and name HG1 ) (resid 60 and name HN ) 4.0 2.2 1.0
assign (resid 60 and name HN ) (resid 61 and name HN ) 3.0 1.2 0.5
assign (resid 60 and name HG1 ) (resid 61 and name HN ) 4.0 2.2 2.0
assign (resid 60 and name HN ) (resid 64 and name HB1 ) 4.0 2.2 2.0
assign (resid 60 and name HA ) (resid 64 and name HN ) 4.0 2.2 1.0

! Y61
assign (resid 61 and name HN ) (resid 62 and name HN ) 3.0 1.2 0.5
assign (resid 61 and name HD# ) (resid 62 and name HN ) 4.0 2.2 1.0
assign (resid 61 and name HA ) (resid 62 and name HN ) 3.0 1.2 0.5
assign (resid 61 and name HN ) (resid 63 and name HN ) 4.0 2.2 1.0

! Y62
assign (resid 62 and name HD# ) (resid 62 and name HN ) 3.0 1.2 0.5
assign (resid 62 and name HB1 ) (resid 62 and name HN ) 3.0 1.2 0.5
assign (resid 62 and name HB2 ) (resid 63 and name HN ) 4.0 2.2 1.0
assign (resid 62 and name HD# ) (resid 63 and name HN ) 4.0 2.2 2.0
assign (resid 62 and name HA ) (resid 63 and name HN ) 4.0 2.2 1.0
assign (resid 62 and name HN ) (resid 63 and name HG# ) 4.0 2.2 1.5
assign (resid 62 and name HN ) (resid 63 and name HA ) 4.0 2.2 1.0
assign (resid 62 and name HB2 ) (resid 64 and name HN ) 4.0 2.2 1.0
assign (resid 62 and name HB1 ) (resid 64 and name HN ) 4.0 2.2 1.0
assign (resid 62 and name HN ) (resid 64 and name HN ) 4.0 2.2 1.0
assign (resid 62 and name HN ) (resid 64 and name HG ) 4.0 2.2 2.0

! R63
assign (resid 63 and name HB2 ) (resid 63 and name HN ) 3.0 1.2 0.5
assign (resid 63 and name HN ) (resid 64 and name HN ) 3.0 1.2 0.5
assign (resid 63 and name HB2 ) (resid 64 and name HN ) 4.0 2.2 1.0
assign (resid 63 and name HB1 ) (resid 64 and name HN ) 4.0 2.2 2.0

! L64
assign (resid 64 and name HB1 ) (resid 65 and name HN ) 4.0 2.2 2.0
assign (resid 64 and name HB2 ) (resid 65 and name HN ) 4.0 2.2 1.0
assign (resid 64 and name HD1# ) (resid 65 and name HN ) 4.0 2.2 1.5
assign (resid 64 and name HN ) (resid 65 and name HN ) 4.0 2.2 1.0
assign (resid 64 and name HD1# ) (resid 66 and name HN ) 4.0 2.2 1.5
assign (resid 64 and name HG ) (resid 66 and name HN ) 4.0 2.2 1.0

! V65
assign (resid 65 and name HN ) (resid 66 and name HN ) 3.0 1.2 0.5

! V66
assign (resid 66 and name HN ) (resid 67 and name HN ) 4.0 2.2 1.0
assign (resid 66 and name HG* ) (resid 67 and name HN ) 2.5 0.7 0.9
assign (resid 66 and name HG* ) (resid 83 and name HN ) 3.0 1.2 1.0
assign (resid 66 and name HB ) (resid 83 and name HN ) 4.0 2.2 1.0

! T67
assign (resid 67 and name HN ) (resid 69 and name HB# ) 4.0 2.2 1.5

! P68
assign (resid 68 and name HD# ) (resid 69 and name HN ) 4.0 2.2 2.5
assign (resid 68 and name HD# ) (resid 83 and name HN ) 4.0 2.2 1.5
assign (resid 68 and name HG# ) (resid 83 and name HN ) 4.0 2.2 1.5

! A69
assign (resid 69 and name HN ) (resid 70 and name HN ) 4.0 2.2 2.0
assign (resid 69 and name HA ) (resid 81 and name HN ) 4.0 2.2 2.0
assign (resid 69 and name HA ) (resid 83 and name HN ) 3.0 1.2 0.5
assign (resid 69 and name HB# ) (resid 83 and name HN ) 4.0 2.2 1.5
assign (resid 69 and name HN ) (resid 86 and name HD* ) 4.0 2.2 1.5

! L70
assign (resid 70 and name HG ) (resid 70 and name HN ) 4.0 2.2 1.0
assign (resid 70 and name HD2# ) (resid 70 and name HN ) 4.0 2.2 1.5
assign (resid 70 and name HD1# ) (resid 70 and name HN ) 4.0 2.2 1.5
assign (resid 70 and name HD1# ) (resid 71 and name HN ) 4.0 2.2 1.5
assign (resid 70 and name HG ) (resid 71 and name HN ) 4.0 2.2 1.0
assign (resid 70 and name HN ) (resid 71 and name HN ) 4.0 2.2 2.0
assign (resid 70 and name HD1# ) (resid 81 and name HN ) 4.0 2.2 1.5
assign (resid 70 and name HB1 ) (resid 81 and name HN ) 4.0 2.2 1.0
assign (resid 70 and name HN ) (resid 81 and name HB2 ) 4.0 2.2 1.0
assign (resid 70 and name HN ) (resid 82 and name HA ) 4.0 2.2 1.0
assign (resid 70 and name HN ) (resid 83 and name HN ) 4.0 2.2 2.0

! V71
assign (resid 71 and name HB ) (resid 71 and name HN ) 3.0 1.2 0.5
assign (resid 71 and name HG1# ) (resid 71 and name HN ) 4.0 2.2 1.5
assign (resid 71 and name HG2# ) (resid 81 and name HN ) 3.0 1.2 1.0
assign (resid 71 and name HA ) (resid 81 and name HN ) 4.0 2.2 1.0

! K72
assign (resid 72 and name HG2 ) (resid 72 and name HN ) 4.0 2.2 2.0
assign (resid 72 and name HD2 ) (resid 72 and name HN ) 4.0 2.2 1.0
assign (resid 72 and name HN ) (resid 73 and name HN ) 4.0 2.2 2.0
assign (resid 72 and name HD1 ) (resid 73 and name HN ) 4.0 2.2 1.0
assign (resid 72 and name HD2 ) (resid 74 and name HN ) 4.0 2.2 1.0
assign (resid 72 and name HE2 ) (resid 74 and name HN ) 4.0 2.2 1.0
assign (resid 72 and name HD1 ) (resid 74 and name HN ) 3.0 1.2 0.5
assign (resid 72 and name HN ) (resid 79 and name HB2 ) 4.0 2.2 2.0
assign (resid 72 and name HN ) (resid 79 and name HN ) 4.0 2.2 1.0
assign (resid 72 and name HB1 ) (resid 79 and name HN ) 4.0 2.2 1.0
assign (resid 72 and name HD2 ) (resid 79 and name HN ) 4.0 2.2 2.0
assign (resid 72 and name HN ) (resid 80 and name HA ) 4.0 2.2 1.0
assign (resid 72 and name HN ) (resid 80 and name HN ) 4.0 2.2 2.0
assign (resid 72 and name HB1 ) (resid 97 and name HE1 ) 4.0 2.2 1.0

! I73
assign (resid 73 and name HG11 ) (resid 73 and name HN ) 4.0 2.2 1.0
assign (resid 73 and name HN ) (resid 74 and name HN ) 3.0 1.2 0.5
assign (resid 73 and name HA ) (resid 74 and name HN ) 3.0 1.2 0.5
assign (resid 73 and name HG12 ) (resid 74 and name HN ) 4.0 2.2 1.0
assign (resid 73 and name HG2# ) (resid 74 and name HN ) 4.0 2.2 1.5
assign (resid 73 and name HG11 ) (resid 74 and name HN ) 4.0 2.2 1.0
assign (resid 73 and name HN ) (resid 78 and name HA ) 4.0 2.2 2.0
assign (resid 73 and name HG2# ) (resid 79 and name HN ) 4.0 2.2 1.5
assign (resid 73 and name HN ) (resid 79 and name HN ) 4.0 2.2 2.0
assign (resid 73 and name HA ) (resid 79 and name HN ) 4.0 2.2 2.0

! G74
assign (resid 74 and name HN ) (resid 78 and name HA ) 4.0 2.2 1.0

! P75

! G76
assign (resid 76 and name HA2 ) (resid 77 and name HN ) 4.0 2.2 1.0
assign (resid 76 and name HA1 ) (resid 77 and name HN ) 4.0 2.2 2.0

! S77
assign (resid 77 and name HB1 ) (resid 78 and name HN ) 4.0 2.2 1.0

! R78
assign (resid 78 and name HB2 ) (resid 78 and name HN ) 3.0 1.2 0.5
assign (resid 78 and name HB2 ) (resid 79 and name HN ) 4.0 2.2 1.0
assign (resid 78 and name HG1 ) (resid 79 and name HN ) 3.0 1.2 0.5

! Q79
assign (resid 79 and name HB1 ) (resid 79 and name HN ) 4.0 2.2 1.0
assign (resid 79 and name HB2 ) (resid 79 and name HN ) 3.0 1.2 0.5
assign (resid 79 and name HN ) (resid 80 and name HN ) 4.0 2.2 1.0
assign (resid 79 and name HB1 ) (resid 80 and name HN ) 3.0 1.2 0.5
assign (resid 79 and name HB2 ) (resid 80 and name HN ) 4.0 2.2 1.0
assign (resid 79 and name HE22 ) (resid 81 and name HD2# ) 4.0 2.2 1.5
assign (resid 79 and name HE21 ) (resid 81 and name HD2# ) 4.0 2.2 1.5
assign (resid 79 and name HB1 ) (resid 97 and name HE1 ) 4.0 2.2 1.0
assign (resid 79 and name HG# ) (resid 97 and name HE1 ) 4.0 2.2 1.5

! V80
assign (resid 80 and name HN ) (resid 81 and name HN ) 4.0 2.2 2.0
assign (resid 80 and name HN ) (resid 81 and name HD2# ) 4.0 2.2 1.5

! L81
assign (resid 81 and name HB1 ) (resid 81 and name HN ) 4.0 2.2 1.0
assign (resid 81 and name HD2# ) (resid 81 and name HN ) 4.0 2.2 1.5
assign (resid 81 and name HN ) (resid 82 and name HN ) 4.0 2.2 1.0
assign (resid 81 and name HN ) (resid 89 and name HB1 ) 4.0 2.2 2.0
assign (resid 81 and name HD1# ) (resid 89 and name HN ) 4.0 2.2 1.5
assign (resid 81 and name HD1# ) (resid 93 and name HN ) 4.0 2.2 1.5
assign (resid 81 and name HD2# ) (resid 93 and name HE21 ) 4.0 2.2 1.5
assign (resid 81 and name HD2# ) (resid 93 and name HE22 ) 4.0 2.2 1.5
assign (resid 81 and name HD1# ) (resid 97 and name HE1 ) 4.0 2.2 1.5

! S82
assign (resid 82 and name HB2 ) (resid 82 and name HN ) 4.0 2.2 1.0
assign (resid 82 and name HN ) (resid 83 and name HN ) 4.0 2.2 1.0
assign (resid 82 and name HB2 ) (resid 83 and name HN ) 3.0 1.2 0.5
assign (resid 82 and name HN ) (resid 89 and name HB2 ) 4.0 2.2 1.0
assign (resid 82 and name HN ) (resid 89 and name HE22 ) 3.0 1.2 0.5
assign (resid 82 and name HN ) (resid 89 and name HE21 ) 4.0 2.2 1.0

! G83
assign (resid 83 and name HA1 ) (resid 85 and name HN ) 3.0 1.2 0.5
assign (resid 83 and name HA2 ) (resid 85 and name HN ) 4.0 2.2 1.0
assign (resid 83 and name HA2 ) (resid 86 and name HN ) 4.0 2.2 2.0

! I84
assign (resid 84 and name HD1# ) (resid 84 and name HN ) 4.0 2.2 1.5
assign (resid 84 and name HG11 ) (resid 84 and name HN ) 4.0 2.2 1.0
assign (resid 84 and name HD1# ) (resid 85 and name HN ) 4.0 2.2 1.5
assign (resid 84 and name HN ) (resid 85 and name HN ) 3.0 1.2 0.5
assign (resid 84 and name HG12 ) (resid 85 and name HN ) 4.0 2.2 1.0
assign (resid 84 and name HN ) (resid 86 and name HN ) 4.0 2.2 1.0

! D85
assign (resid 85 and name HB2 ) (resid 86 and name HN ) 4.0 2.2 1.0
assign (resid 85 and name HN ) (resid 86 and name HN ) 2.5 0.7 0.4
assign (resid 85 and name HB1 ) (resid 86 and name HN ) 4.0 2.2 1.0
assign (resid 85 and name HN ) (resid 86 and name HA ) 4.0 2.2 1.0
assign (resid 85 and name HA ) (resid 87 and name HN ) 4.0 2.2 1.0
assign (resid 85 and name HN ) (resid 87 and name HN ) 4.0 2.2 2.0
assign (resid 85 and name HA ) (resid 88 and name HN ) 4.0 2.2 1.0
assign (resid 85 and name HB2 ) (resid 88 and name HN ) 4.0 2.2 2.0
assign (resid 85 and name HN ) (resid 89 and name HE21 ) 4.0 2.2 1.0
assign (resid 85 and name HN ) (resid 89 and name HE22 ) 4.0 2.2 2.0

! L86
assign (resid 86 and name HN ) (resid 87 and name HN ) 3.0 1.2 0.5
assign (resid 86 and name HN ) (resid 87 and name HG2# ) 4.0 2.2 2.5
assign (resid 86 and name HG ) (resid 87 and name HN ) 4.0 2.2 1.0
assign (resid 86 and name HA ) (resid 88 and name HN ) 4.0 2.2 1.0
assign (resid 86 and name HN ) (resid 89 and name HB2 ) 4.0 2.2 1.0
assign (resid 86 and name HN ) (resid 89 and name HE22 ) 4.0 2.2 2.0
assign (resid 86 and name HD* ) (resid 89 and name HN ) 4.0 2.2 2.5
assign (resid 86 and name HA ) (resid 89 and name HN ) 4.0 2.2 1.0
assign (resid 86 and name HD* ) (resid 90 and name HN ) 4.0 2.2 1.5

! T87
assign (resid 87 and name HB ) (resid 87 and name HN ) 4.0 2.2 1.0
assign (resid 87 and name HB ) (resid 88 and name HN ) 4.0 2.2 1.0
assign (resid 87 and name HN ) (resid 88 and name HN ) 3.0 1.2 0.5
assign (resid 87 and name HA ) (resid 88 and name HN ) 4.0 2.2 1.0
assign (resid 87 and name HN ) (resid 89 and name HN ) 4.0 2.2 1.0
assign (resid 87 and name HA ) (resid 90 and name HN ) 3.0 1.2 0.5
assign (resid 87 and name HA ) (resid 91 and name HN ) 4.0 2.2 1.0

! D88
assign (resid 88 and name HB2 ) (resid 88 and name HN ) 3.0 1.2 0.5
assign (resid 88 and name HN ) (resid 89 and name HN ) 3.0 1.2 0.5
assign (resid 88 and name HB1 ) (resid 89 and name HN ) 3.0 1.2 0.5
assign (resid 88 and name HN ) (resid 90 and name HN ) 4.0 2.2 1.0
assign (resid 88 and name HN ) (resid 91 and name HB# ) 4.0 2.2 1.5

! Q89
assign (resid 89 and name HB2 ) (resid 89 and name HN ) 3.0 1.2 0.5
assign (resid 89 and name HE22 ) (resid 89 and name HN ) 4.0 2.2 2.0
assign (resid 89 and name HA ) (resid 90 and name HN ) 4.0 2.2 1.0
assign (resid 89 and name HN ) (resid 90 and name HN ) 3.0 1.2 0.5
assign (resid 89 and name HB1 ) (resid 90 and name HN ) 4.0 2.2 1.0
assign (resid 89 and name HB2 ) (resid 90 and name HN ) 3.0 1.2 0.5
assign (resid 89 and name HN ) (resid 90 and name HA ) 4.0 2.2 2.0
assign (resid 89 and name HA ) (resid 92 and name HN ) 4.0 2.2 1.0
assign (resid 89 and name HA ) (resid 93 and name HE22 ) 4.0 2.2 2.0

! L90
assign (resid 90 and name HG ) (resid 90 and name HN ) 4.0 2.2 1.0
assign (resid 90 and name HD1# ) (resid 91 and name HN ) 4.0 2.2 1.5
assign (resid 90 and name HN ) (resid 91 and name HN ) 3.0 1.2 0.5
assign (resid 90 and name HD2# ) (resid 91 and name HN ) 3.0 1.2 1.0
assign (resid 90 and name HA ) (resid 91 and name HN ) 4.0 2.2 1.0
assign (resid 90 and name HD1# ) (resid 92 and name HN ) 4.0 2.2 1.5
assign (resid 90 and name HN ) (resid 92 and name HN ) 4.0 2.2 2.0
assign (resid 90 and name HA ) (resid 93 and name HN ) 4.0 2.2 1.0
assign (resid 90 and name HD1# ) (resid 94 and name HN ) 2.5 0.7 0.9

! A91
assign (resid 91 and name HN ) (resid 92 and name HN ) 3.0 1.2 0.5
assign (resid 91 and name HN ) (resid 92 and name HB2 ) 4.0 2.2 1.0
assign (resid 91 and name HA ) (resid 94 and name HN ) 4.0 2.2 1.0

! N92
assign (resid 92 and name HB1 ) (resid 92 and name HN ) 3.0 1.2 0.5
assign (resid 92 and name HN ) (resid 93 and name HN ) 3.0 1.2 0.5
assign (resid 92 and name HB2 ) (resid 93 and name HN ) 3.0 1.2 0.5
assign (resid 92 and name HN ) (resid 93 and name HA ) 4.0 2.2 1.0
assign (resid 92 and name HN ) (resid 93 and name HB2 ) 4.0 2.2 2.0
assign (resid 92 and name HB1 ) (resid 93 and name HE21 ) 4.0 2.2 1.0
assign (resid 92 and name HB2 ) (resid 93 and name HE21 ) 4.0 2.2 1.0
assign (resid 92 and name HB1 ) (resid 93 and name HE22 ) 4.0 2.2 2.0
assign (resid 92 and name HN ) (resid 94 and name HN ) 4.0 2.2 1.0
assign (resid 92 and name HN ) (resid 95 and name HD2 ) 4.0 2.2 2.0

! Q93
assign (resid 93 and name HB1 ) (resid 93 and name HN ) 3.0 1.2 0.5
assign (resid 93 and name HA ) (resid 93 and name HE21 ) 4.0 2.2 1.0
assign (resid 93 and name HA ) (resid 93 and name HE22 ) 4.0 2.2 1.0
assign (resid 93 and name HN ) (resid 94 and name HN ) 2.5 0.7 0.4
assign (resid 93 and name HN ) (resid 94 and name HA ) 4.0 2.2 2.0
assign (resid 93 and name HN ) (resid 94 and name HB2 ) 4.0 2.2 1.0
assign (resid 93 and name HN ) (resid 95 and name HD1 ) 4.0 2.2 2.0
assign (resid 93 and name HN ) (resid 95 and name HG2 ) 4.0 2.2 2.0
assign (resid 93 and name HA ) (resid 96 and name HN ) 4.0 2.2 1.0
assign (resid 93 and name HG1 ) (resid 97 and name HE1 ) 4.0 2.2 1.0
assign (resid 93 and name HB2 ) (resid 97 and name HE1 ) 4.0 2.2 1.0
assign (resid 93 and name HB2 ) (resid 97 and name HN ) 4.0 2.2 2.0
assign (resid 93 and name HE22 ) (resid 97 and name HE1 ) 4.0 2.2 1.0

! L94
assign (resid 94 and name HN ) (resid 95 and name HG1 ) 4.0 2.2 1.0
assign (resid 94 and name HA ) (resid 96 and name HN ) 4.0 2.2 2.0
assign (resid 94 and name HD1# ) (resid 97 and name HN ) 3.0 1.2 1.0
assign (resid 94 and name HA ) (resid 97 and name HN ) 3.0 1.2 0.5

! P95
assign (resid 95 and name HG1 ) (resid 96 and name HN ) 4.0 2.2 1.0
assign (resid 95 and name HB2 ) (resid 96 and name HN ) 3.0 1.2 0.5
assign (resid 95 and name HG2 ) (resid 96 and name HN ) 4.0 2.2 1.0
assign (resid 95 and name HB1 ) (resid 96 and name HN ) 4.0 2.2 1.0
assign (resid 95 and name HD2 ) (resid 96 and name HN ) 4.0 2.2 1.0
assign (resid 95 and name HA ) (resid 98 and name HN ) 4.0 2.2 1.0

! Q96
assign (resid 96 and name HB# ) (resid 97 and name HE1 ) 4.0 2.2 1.5
assign (resid 96 and name HA ) (resid 97 and name HN ) 3.0 1.2 0.5
assign (resid 96 and name HN ) (resid 97 and name HN ) 2.5 0.7 0.4
assign (resid 96 and name HN ) (resid 97 and name HB2 ) 4.0 2.2 2.0
assign (resid 96 and name HN ) (resid 97 and name HA ) 4.0 2.2 2.0
assign (resid 96 and name HN ) (resid 98 and name HN ) 4.0 2.2 1.0
assign (resid 96 and name HN ) (resid 99 and name HN ) 4.0 2.2 1.0
assign (resid 96 and name HN ) (resid 99 and name HG2# ) 4.0 2.2 1.5

! W97
assign (resid 97 and name HN ) (resid 97 and name HE1 ) 4.0 2.2 1.0
assign (resid 97 and name HN ) (resid 98 and name HB2 ) 4.0 2.2 1.0
assign (resid 97 and name HN ) (resid 98 and name HN ) 3.0 1.2 0.5
assign (resid 97 and name HN ) (resid 98 and name HG ) 4.0 2.2 1.0
assign (resid 97 and name HB2 ) (resid 98 and name HN ) 4.0 2.2 1.0
assign (resid 97 and name HB1 ) (resid 98 and name HN ) 4.0 2.2 1.0
assign (resid 97 and name HA ) (resid 98 and name HN ) 4.0 2.2 1.0
assign (resid 97 and name HN ) (resid 99 and name HN ) 4.0 2.2 1.0

! L98
assign (resid 98 and name HG ) (resid 99 and name HN ) 4.0 2.2 1.0
assign (resid 98 and name HN ) (resid 99 and name HN ) 3.0 1.2 0.5

! V99
assign (resid 99 and name HG2# ) (resid 99 and name HN ) 3.0 1.2 1.0
assign (resid 99 and name HG1# ) (resid 99 and name HN ) 3.0 1.2 1.0
assign (resid 99 and name HN ) (resid 100 and name HN ) 4.0 2.2 1.0
assign (resid 99 and name HN ) (resid 100 and name HG# ) 4.0 2.2 2.5

! Q100
assign (resid 100 and name HN ) (resid 101 and name HN ) 4.0 2.2 1.0
assign (resid 100 and name HB# ) (resid 101 and name HN ) 4.0 2.2 1.5

! Q101
assign (resid 101 and name HB1 ) (resid 101 and name HN ) 4.0 2.2 1.0


! ambig
assign ((resid 15 and name HD1#) or (resid 50 and name HN)) (resid 17 and name HN) 3.0 1.2 1.0 
assign (resid 16 and name HN) ((resid 16 and name HB1) or (resid 71 and name HN)) 3.0 1.2 0.5 
assign ((resid 20 or resid 51) and name HA) (resid  53 and name   HN )  3.0  1.2  0.5 
assign (resid  28 and name   HN ) (resid 28 and (name HG2# or name HD1#))  3.0  1.2  1.0 
assign ((resid 28 or resid 32) and name HG2# ) (resid  31 and name HN )  3.0  1.2  1.0 
assign (resid  28 and (name HD1# or name HG2#)) (resid  86 and name   HN )  4.0  2.2  1.5 
assign (resid 29 and name HN) ((resid 28 and name HG2#) or (resid 29 and name HG1#)) 2.5 0.7 0.9 
assign ((resid 29 and name HG1#) or (resid 32 and name HG2#)) (resid 33 and name HN) 3.0 1.2 1.0
assign (resid  36 and name  HD* ) (resid  37 and name   HN )  3.0  1.2  1.0 
assign (resid 43 and name HN) ((resid 44 and name HA) or (resid 42 and name HB)) 4.0 2.2 1.0 
assign (resid  47 and name   HN ) (resid  47 and name  HD* )  3.0  1.2  1.0 
assign (resid 50 and (name HB or name HN)) (resid 51 and name HN)  4.0  2.2  1.0 
assign (resid 57 and name HN) ((resid 56 and name HB1) or (resid 57 and name HG2)) 4.0 2.2 1.0 
assign ((resid 57 and name HG2) or (resid 55 and name HB2)) (resid 58 and name HN) 4.0 2.2 1.0 
assign ((resid 60 or resid 61) and name HA) (resid  63 and name   HN )  3.0  1.2  0.5 
assign ((resid 59 and name HA) or (resid 61 and name HB2)) (resid 62 and name HN) 3.0 1.2 0.5 
assign (resid 66 and name HN) ((resid 67 and name HG2#) or (resid 65 and name HG1#) or (resid 64 and name HB2)) 3.0 1.2 1.0 
assign ((resid  70 or resid 89) and name  HB1 ) (resid  72 and name   HN )  4.0  2.2  2.0 
assign ((resid 72 or resid 13 or resid 75) and name HA) (resid 74 and name HN) 3.0 1.2 0.5 
assign ((resid 89 and name HB1) or (resid 93 and name HG2)) (resid 92 and name HN) 4.0 2.2 1.0 
assign (resid  92 and name   HN ) ((resid 93 or resid 91) and name HN) 2.5 0.7 0.4 
assign (resid 97 and name HN) ((resid 97 and name HD1) or (resid 96 and name HN)) 2.5 0.7 0.4 
assign (resid  98 and name  HD* ) (resid  99 and name   HN )  3.0  1.2  1.0 

! Helix 1 
assign (resid 23 and name O ) (resid 27 and name HN ) 2.0 0.5 0.3
assign (resid 23 and name O ) (resid 27 and name  N ) 3.0 0.6 0.3
assign (resid 24 and name O ) (resid 28 and name HN ) 2.0 0.5 0.3
assign (resid 24 and name O ) (resid 28 and name  N ) 3.0 0.6 0.3
assign (resid 25 and name O ) (resid 29 and name HN ) 2.0 0.5 0.3
assign (resid 25 and name O ) (resid 29 and name  N ) 3.0 0.6 0.3
assign (resid 26 and name O ) (resid 30 and name HN ) 2.0 0.5 0.3
assign (resid 26 and name O ) (resid 30 and name  N ) 3.0 0.6 0.3
assign (resid 27 and name O ) (resid 31 and name HN ) 2.0 0.5 0.3
assign (resid 27 and name O ) (resid 31 and name  N ) 3.0 0.6 0.3
assign (resid 28 and name O ) (resid 32 and name HN ) 2.0 0.5 0.3
assign (resid 28 and name O ) (resid 32 and name  N ) 3.0 0.6 0.3
assign (resid 29 and name O ) (resid 33 and name HN ) 2.0 0.5 0.3
assign (resid 29 and name O ) (resid 33 and name  N ) 3.0 0.6 0.3
assign (resid 30 and name O ) (resid 34 and name HN ) 2.0 0.5 0.3
assign (resid 30 and name O ) (resid 34 and name  N ) 3.0 0.6 0.3
assign (resid 31 and name O ) (resid 35 and name HN ) 2.0 0.5 0.3
assign (resid 31 and name O ) (resid 35 and name  N ) 3.0 0.6 0.3
assign (resid 32 and name O ) (resid 36 and name HN ) 2.0 0.5 0.3
assign (resid 32 and name O ) (resid 36 and name  N ) 3.0 0.6 0.3
assign (resid 33 and name O ) (resid 37 and name HN ) 2.0 0.5 0.3
assign (resid 33 and name O ) (resid 37 and name  N ) 3.0 0.6 0.3

! Helix 2 
assign (resid 56 and name O ) (resid 60 and name HN ) 2.0 0.5 0.3
assign (resid 56 and name O ) (resid 60 and name  N ) 3.0 0.6 0.3
assign (resid 57 and name O ) (resid 61 and name HN ) 2.0 0.5 0.3
assign (resid 57 and name O ) (resid 61 and name  N ) 3.0 0.6 0.3

! Helix 3
assign (resid 86 and name O ) (resid 90 and name HN ) 2.0 0.5 0.3
assign (resid 86 and name O ) (resid 90 and name  N ) 3.0 0.6 0.3
assign (resid 87 and name O ) (resid 91 and name HN ) 2.0 0.5 0.3
assign (resid 87 and name O ) (resid 91 and name  N ) 3.0 0.6 0.3
assign (resid 88 and name O ) (resid 92 and name HN ) 2.0 0.5 0.3
assign (resid 88 and name O ) (resid 92 and name  N ) 3.0 0.6 0.3
assign (resid 89 and name O ) (resid 93 and name HN ) 2.0 0.5 0.3
assign (resid 89 and name O ) (resid 93 and name  N ) 3.0 0.6 0.3
assign (resid 90 and name O ) (resid 94 and name HN ) 2.0 0.5 0.3
assign (resid 90 and name O ) (resid 94 and name  N ) 3.0 0.6 0.3

! Beta Sheet 4-3 
assign (resid 81 and name O ) (resid 70 and name HN ) 2.0 0.5 0.3
assign (resid 81 and name O ) (resid 70 and name  N ) 3.0 0.6 0.3
assign (resid 70 and name O ) (resid 81 and name HN ) 2.0 0.5 0.3
assign (resid 70 and name O ) (resid 81 and name  N ) 3.0 0.6 0.3
assign (resid 79 and name O ) (resid 72 and name HN ) 2.0 0.5 0.3
assign (resid 79 and name O ) (resid 72 and name  N ) 3.0 0.6 0.3
assign (resid 72 and name O ) (resid 79 and name HN ) 2.0 0.5 0.3
assign (resid 72 and name O ) (resid 79 and name  N ) 3.0 0.6 0.3

! Beta Sheet 3-1 
assign (resid 18 and name O ) (resid 69 and name HN ) 2.0 0.5 0.3
assign (resid 18 and name O ) (resid 69 and name  N ) 3.0 0.6 0.3
assign (resid 69 and name O ) (resid 18 and name HN ) 2.0 0.5 0.3
assign (resid 69 and name O ) (resid 18 and name  N ) 3.0 0.6 0.3
assign (resid 16 and name O ) (resid 71 and name HN ) 2.0 0.5 0.3
assign (resid 16 and name O ) (resid 71 and name  N ) 3.0 0.6 0.3
assign (resid 71 and name O ) (resid 16 and name HN ) 2.0 0.5 0.3
assign (resid 71 and name O ) (resid 16 and name  N ) 3.0 0.6 0.3
assign (resid 14 and name O ) (resid 73 and name HN ) 2.0 0.5 0.3
assign (resid 14 and name O ) (resid 73 and name  N ) 3.0 0.6 0.3

! Beta Sheet 1-2 
assign (resid 19 and name O ) (resid 52 and name HN ) 2.0 0.5 0.3
assign (resid 19 and name O ) (resid 52 and name  N ) 3.0 0.6 0.3
assign (resid 50 and name O ) (resid 19 and name HN ) 2.0 0.5 0.3
assign (resid 50 and name O ) (resid 19 and name  N ) 3.0 0.6 0.3
assign (resid 17 and name O ) (resid 50 and name HN ) 2.0 0.5 0.3
assign (resid 17 and name O ) (resid 50 and name  N ) 3.0 0.6 0.3
assign (resid 48 and name O ) (resid 17 and name HN ) 2.0 0.5 0.3
assign (resid 48 and name O ) (resid 17 and name  N ) 3.0 0.6 0.3
assign (resid 15 and name O ) (resid 48 and name HN ) 2.0 0.5 0.3
assign (resid 15 and name O ) (resid 48 and name  N ) 3.0 0.6 0.3
assign (resid 46 and name O ) (resid 15 and name HN ) 2.0 0.5 0.3
assign (resid 46 and name O ) (resid 15 and name HN ) 2.0 0.5 0.3
assign (resid 13 and name O ) (resid 46 and name  N ) 3.0 0.6 0.3
assign (resid 13 and name O ) (resid 46 and name  N ) 3.0 0.6 0.3


! Phi from TALOS
assign (resid 4 and name c)  (resid 5 and name n)
       (resid 5 and name ca) (resid 5 and name c) 1.0 -107.000 60 2
assign (resid 8 and name c)  (resid 9 and name n)
       (resid 9 and name ca) (resid 9 and name c) 1.0 -81.000 44 2
assign (resid 10 and name c)  (resid 11 and name n)
       (resid 11 and name ca) (resid 11 and name c) 1.0 -103.000 62 2
assign (resid 12 and name c)  (resid 13 and name n)
       (resid 13 and name ca) (resid 13 and name c) 1.0 -100.000 36 2
assign (resid 13 and name c)  (resid 14 and name n)
       (resid 14 and name ca) (resid 14 and name c) 1.0 -112.000 62 2
assign (resid 14 and name c)  (resid 15 and name n)
       (resid 15 and name ca) (resid 15 and name c) 1.0 -118.000 30 2
assign (resid 15 and name c)  (resid 16 and name n)
       (resid 16 and name ca) (resid 16 and name c) 1.0 -126.000 38 2
assign (resid 16 and name c)  (resid 17 and name n)
       (resid 17 and name ca) (resid 17 and name c) 1.0 -116.000 34 2
assign (resid 17 and name c)  (resid 18 and name n)
       (resid 18 and name ca) (resid 18 and name c) 1.0 -99.000 26 2
assign (resid 18 and name c)  (resid 19 and name n)
       (resid 19 and name ca) (resid 19 and name c) 1.0 -134.000 42 2
assign (resid 22 and name c)  (resid 23 and name n)
       (resid 23 and name ca) (resid 23 and name c) 1.0 -60.000 18 2
assign (resid 23 and name c)  (resid 24 and name n)
       (resid 24 and name ca) (resid 24 and name c) 1.0 -65.000 10 2
assign (resid 24 and name c)  (resid 25 and name n)
       (resid 25 and name ca) (resid 25 and name c) 1.0 -68.000 6 2
assign (resid 25 and name c)  (resid 26 and name n)
       (resid 26 and name ca) (resid 26 and name c) 1.0 -62.000 12 2
assign (resid 26 and name c)  (resid 27 and name n)
       (resid 27 and name ca) (resid 27 and name c) 1.0 -66.000 10 2
assign (resid 27 and name c)  (resid 28 and name n)
       (resid 28 and name ca) (resid 28 and name c) 1.0 -68.000 14 2
assign (resid 28 and name c)  (resid 29 and name n)
       (resid 29 and name ca) (resid 29 and name c) 1.0 -69.000 12 2
assign (resid 29 and name c)  (resid 30 and name n)
       (resid 30 and name ca) (resid 30 and name c) 1.0 -65.000 12 2
assign (resid 30 and name c)  (resid 31 and name n)
       (resid 31 and name ca) (resid 31 and name c) 1.0 -67.000 6 2
assign (resid 31 and name c)  (resid 32 and name n)
       (resid 32 and name ca) (resid 32 and name c) 1.0 -66.000 16 2
assign (resid 32 and name c)  (resid 33 and name n)
       (resid 33 and name ca) (resid 33 and name c) 1.0 -62.000 14 2
assign (resid 33 and name c)  (resid 34 and name n)
       (resid 34 and name ca) (resid 34 and name c) 1.0 -66.000 10 2
assign (resid 34 and name c)  (resid 35 and name n)
       (resid 35 and name ca) (resid 35 and name c) 1.0 -67.000 16 2
assign (resid 35 and name c)  (resid 36 and name n)
       (resid 36 and name ca) (resid 36 and name c) 1.0 -68.000 22 2
assign (resid 36 and name c)  (resid 37 and name n)
       (resid 37 and name ca) (resid 37 and name c) 1.0 -72.000 42 2
assign (resid 42 and name c)  (resid 43 and name n)
       (resid 43 and name ca) (resid 43 and name c) 1.0 -109.000 52 2
assign (resid 44 and name c)  (resid 45 and name n)
       (resid 45 and name ca) (resid 45 and name c) 1.0 -104.000 42 2
assign (resid 45 and name c)  (resid 46 and name n)
       (resid 46 and name ca) (resid 46 and name c) 1.0 -106.000 54 2
assign (resid 46 and name c)  (resid 47 and name n)
       (resid 47 and name ca) (resid 47 and name c) 1.0 -103.000 16 2
assign (resid 47 and name c)  (resid 48 and name n)
       (resid 48 and name ca) (resid 48 and name c) 1.0 -110.000 34 2
assign (resid 48 and name c)  (resid 49 and name n)
       (resid 49 and name ca) (resid 49 and name c) 1.0 -98.000 40 2
assign (resid 49 and name c)  (resid 50 and name n)
       (resid 50 and name ca) (resid 50 and name c) 1.0 -115.000 50 2
assign (resid 50 and name c)  (resid 51 and name n)
       (resid 51 and name ca) (resid 51 and name c) 1.0 -86.000 42 2
assign (resid 51 and name c)  (resid 52 and name n)
       (resid 52 and name ca) (resid 52 and name c) 1.0 -68.000 28 2
assign (resid 55 and name c)  (resid 56 and name n)
       (resid 56 and name ca) (resid 56 and name c) 1.0 -60.000 22 2
assign (resid 56 and name c)  (resid 57 and name n)
       (resid 57 and name ca) (resid 57 and name c) 1.0 -66.000 14 2
assign (resid 57 and name c)  (resid 58 and name n)
       (resid 58 and name ca) (resid 58 and name c) 1.0 -67.000 8 2
assign (resid 58 and name c)  (resid 59 and name n)
       (resid 59 and name ca) (resid 59 and name c) 1.0 -68.000 18 2
assign (resid 59 and name c)  (resid 60 and name n)
       (resid 60 and name ca) (resid 60 and name c) 1.0 -65.000 10 2
assign (resid 60 and name c)  (resid 61 and name n)
       (resid 61 and name ca) (resid 61 and name c) 1.0 -66.000 18 2
assign (resid 61 and name c)  (resid 62 and name n)
       (resid 62 and name ca) (resid 62 and name c) 1.0 -85.000 34 2
assign (resid 65 and name c)  (resid 66 and name n)
       (resid 66 and name ca) (resid 66 and name c) 1.0 -105.000 54 2
assign (resid 68 and name c)  (resid 69 and name n)
       (resid 69 and name ca) (resid 69 and name c) 1.0 -129.000 48 2
assign (resid 69 and name c)  (resid 70 and name n)
       (resid 70 and name ca) (resid 70 and name c) 1.0 -120.000 44 2
assign (resid 70 and name c)  (resid 71 and name n)
       (resid 71 and name ca) (resid 71 and name c) 1.0 -114.000 34 2
assign (resid 71 and name c)  (resid 72 and name n)
       (resid 72 and name ca) (resid 72 and name c) 1.0 -93.000 44 2
assign (resid 76 and name c)  (resid 77 and name n)
       (resid 77 and name ca) (resid 77 and name c) 1.0 -90.000 54 2
assign (resid 78 and name c)  (resid 79 and name n)
       (resid 79 and name ca) (resid 79 and name c) 1.0 -131.000 46 2
assign (resid 79 and name c)  (resid 80 and name n)
       (resid 80 and name ca) (resid 80 and name c) 1.0 -112.000 28 2
assign (resid 80 and name c)  (resid 81 and name n)
       (resid 81 and name ca) (resid 81 and name c) 1.0 -102.000 16 2
assign (resid 85 and name c)  (resid 86 and name n)
       (resid 86 and name ca) (resid 86 and name c) 1.0 -61.000 18 2
assign (resid 86 and name c)  (resid 87 and name n)
       (resid 87 and name ca) (resid 87 and name c) 1.0 -69.000 8 2
assign (resid 87 and name c)  (resid 88 and name n)
       (resid 88 and name ca) (resid 88 and name c) 1.0 -66.000 10 2
assign (resid 88 and name c)  (resid 89 and name n)
       (resid 89 and name ca) (resid 89 and name c) 1.0 -65.000 8 2
assign (resid 89 and name c)  (resid 90 and name n)
       (resid 90 and name ca) (resid 90 and name c) 1.0 -65.000 10 2
assign (resid 90 and name c)  (resid 91 and name n)
       (resid 91 and name ca) (resid 91 and name c) 1.0 -61.000 24 2
assign (resid 91 and name c)  (resid 92 and name n)
       (resid 92 and name ca) (resid 92 and name c) 1.0 -70.000 22 2
assign (resid 92 and name c)  (resid 93 and name n)
       (resid 93 and name ca) (resid 93 and name c) 1.0 -66.000 12 2
assign (resid 93 and name c)  (resid 94 and name n)
       (resid 94 and name ca) (resid 94 and name c) 1.0 -64.000 10 2
assign (resid 94 and name c)  (resid 95 and name n)
       (resid 95 and name ca) (resid 95 and name c) 1.0 -59.000 12 2
assign (resid 96 and name c)  (resid 97 and name n)
       (resid 97 and name ca) (resid 97 and name c) 1.0 -88.000 70 2
assign (resid 98 and name c)  (resid 99 and name n)
       (resid 99 and name ca) (resid 99 and name c) 1.0 -99.000 42 2
assign (resid 103 and name c)  (resid 104 and name n)
       (resid 104 and name ca) (resid 104 and name c) 1.0 -94.000 38 2


! Psi from TALOS
assign (resid 5 and name n)  (resid 5 and name ca)
       (resid 5 and name c) (resid 6 and name n) 1.0 125.000 68 2
assign (resid 9 and name n)  (resid 9 and name ca)
       (resid 9 and name c) (resid 10 and name n) 1.0 138.000 52 2
assign (resid 11 and name n)  (resid 11 and name ca)
       (resid 11 and name c) (resid 12 and name n) 1.0 117.000 62 2
assign (resid 13 and name n)  (resid 13 and name ca)
       (resid 13 and name c) (resid 14 and name n) 1.0 123.000 44 2
assign (resid 14 and name n)  (resid 14 and name ca)
       (resid 14 and name c) (resid 15 and name n) 1.0 135.000 30 2
assign (resid 15 and name n)  (resid 15 and name ca)
       (resid 15 and name c) (resid 16 and name n) 1.0 152.000 20 2
assign (resid 16 and name n)  (resid 16 and name ca)
       (resid 16 and name c) (resid 17 and name n) 1.0 136.000 40 2
assign (resid 17 and name n)  (resid 17 and name ca)
       (resid 17 and name c) (resid 18 and name n) 1.0 125.000 30 2
assign (resid 18 and name n)  (resid 18 and name ca)
       (resid 18 and name c) (resid 19 and name n) 1.0 131.000 24 2
assign (resid 19 and name n)  (resid 19 and name ca)
       (resid 19 and name c) (resid 20 and name n) 1.0 158.000 36 2
assign (resid 23 and name n)  (resid 23 and name ca)
       (resid 23 and name c) (resid 24 and name n) 1.0 -31.000 24 2
assign (resid 24 and name n)  (resid 24 and name ca)
       (resid 24 and name c) (resid 25 and name n) 1.0 -39.000 14 2
assign (resid 25 and name n)  (resid 25 and name ca)
       (resid 25 and name c) (resid 26 and name n) 1.0 -37.000 10 2
assign (resid 26 and name n)  (resid 26 and name ca)
       (resid 26 and name c) (resid 27 and name n) 1.0 -44.000 16 2
assign (resid 27 and name n)  (resid 27 and name ca)
       (resid 27 and name c) (resid 28 and name n) 1.0 -44.000 14 2
assign (resid 28 and name n)  (resid 28 and name ca)
       (resid 28 and name c) (resid 29 and name n) 1.0 -39.000 14 2
assign (resid 29 and name n)  (resid 29 and name ca)
       (resid 29 and name c) (resid 30 and name n) 1.0 -41.000 6 2
assign (resid 30 and name n)  (resid 30 and name ca)
       (resid 30 and name c) (resid 31 and name n) 1.0 -38.000 18 2
assign (resid 31 and name n)  (resid 31 and name ca)
       (resid 31 and name c) (resid 32 and name n) 1.0 -41.000 10 2
assign (resid 32 and name n)  (resid 32 and name ca)
       (resid 32 and name c) (resid 33 and name n) 1.0 -43.000 14 2
assign (resid 33 and name n)  (resid 33 and name ca)
       (resid 33 and name c) (resid 34 and name n) 1.0 -38.000 24 2
assign (resid 34 and name n)  (resid 34 and name ca)
       (resid 34 and name c) (resid 35 and name n) 1.0 -43.000 12 2
assign (resid 35 and name n)  (resid 35 and name ca)
       (resid 35 and name c) (resid 36 and name n) 1.0 -39.000 12 2
assign (resid 36 and name n)  (resid 36 and name ca)
       (resid 36 and name c) (resid 37 and name n) 1.0 -35.000 38 2
assign (resid 37 and name n)  (resid 37 and name ca)
       (resid 37 and name c) (resid 38 and name n) 1.0 -31.000 28 2
assign (resid 43 and name n)  (resid 43 and name ca)
       (resid 43 and name c) (resid 44 and name n) 1.0 134.000 62 2
assign (resid 45 and name n)  (resid 45 and name ca)
       (resid 45 and name c) (resid 46 and name n) 1.0 138.000 28 2
assign (resid 46 and name n)  (resid 46 and name ca)
       (resid 46 and name c) (resid 47 and name n) 1.0 121.000 26 2
assign (resid 47 and name n)  (resid 47 and name ca)
       (resid 47 and name c) (resid 48 and name n) 1.0 123.000 14 2
assign (resid 48 and name n)  (resid 48 and name ca)
       (resid 48 and name c) (resid 49 and name n) 1.0 125.000 18 2
assign (resid 49 and name n)  (resid 49 and name ca)
       (resid 49 and name c) (resid 50 and name n) 1.0 128.000 24 2
assign (resid 50 and name n)  (resid 50 and name ca)
       (resid 50 and name c) (resid 51 and name n) 1.0 129.000 24 2
assign (resid 51 and name n)  (resid 51 and name ca)
       (resid 51 and name c) (resid 52 and name n) 1.0 129.000 54 2
assign (resid 52 and name n)  (resid 52 and name ca)
       (resid 52 and name c) (resid 53 and name n) 1.0 -26.000 32 2
assign (resid 56 and name n)  (resid 56 and name ca)
       (resid 56 and name c) (resid 57 and name n) 1.0 -26.000 30 2
assign (resid 57 and name n)  (resid 57 and name ca)
       (resid 57 and name c) (resid 58 and name n) 1.0 -39.000 22 2 
assign (resid 58 and name n)  (resid 58 and name ca)
       (resid 58 and name c) (resid 59 and name n) 1.0 -42.000 18 2 
assign (resid 59 and name n)  (resid 59 and name ca)
       (resid 59 and name c) (resid 60 and name n) 1.0 -39.000 8 2
assign (resid 60 and name n)  (resid 60 and name ca)
       (resid 60 and name c) (resid 61 and name n) 1.0 -33.000 14 2
assign (resid 61 and name n)  (resid 61 and name ca)
       (resid 61 and name c) (resid 62 and name n) 1.0 -33.000 12 2
assign (resid 62 and name n)  (resid 62 and name ca)
       (resid 62 and name c) (resid 63 and name n) 1.0 -7.000 48 2
assign (resid 66 and name n)  (resid 66 and name ca)
       (resid 66 and name c) (resid 67 and name n) 1.0 146.000 74 2
assign (resid 69 and name n)  (resid 69 and name ca)
       (resid 69 and name c) (resid 70 and name n) 1.0 135.000 46 2
assign (resid 70 and name n)  (resid 70 and name ca)
       (resid 70 and name c) (resid 71 and name n) 1.0 127.000 22 2
assign (resid 71 and name n)  (resid 71 and name ca)
       (resid 71 and name c) (resid 72 and name n) 1.0 126.000 30 2
assign (resid 72 and name n)  (resid 72 and name ca)
       (resid 72 and name c) (resid 73 and name n) 1.0 129.000 26 2
assign (resid 77 and name n)  (resid 77 and name ca)
       (resid 77 and name c) (resid 78 and name n) 1.0 130.000 42 2
assign (resid 79 and name n)  (resid 79 and name ca)
       (resid 79 and name c) (resid 80 and name n) 1.0 142.000 34 2
assign (resid 80 and name n)  (resid 80 and name ca)
       (resid 80 and name c) (resid 81 and name n) 1.0 124.000 20 2
assign (resid 81 and name n)  (resid 81 and name ca)
       (resid 81 and name c) (resid 82 and name n) 1.0 138.000 24 2
assign (resid 86 and name n)  (resid 86 and name ca)
       (resid 86 and name c) (resid 87 and name n) 1.0 -39.000 20 2
assign (resid 87 and name n)  (resid 87 and name ca)
       (resid 87 and name c) (resid 88 and name n) 1.0 -36.000 20 2
assign (resid 88 and name n)  (resid 88 and name ca)
       (resid 88 and name c) (resid 89 and name n) 1.0 -42.000 8 2
assign (resid 89 and name n)  (resid 89 and name ca)
       (resid 89 and name c) (resid 90 and name n) 1.0 -39.000 10 2
assign (resid 90 and name n)  (resid 90 and name ca)
       (resid 90 and name c) (resid 91 and name n) 1.0 -40.000 16 2
assign (resid 91 and name n)  (resid 91 and name ca)
       (resid 91 and name c) (resid 92 and name n) 1.0 -40.000 26 2
assign (resid 92 and name n)  (resid 92 and name ca)
       (resid 92 and name c) (resid 93 and name n) 1.0 -33.000 32 2
assign (resid 93 and name n)  (resid 93 and name ca)
       (resid 93 and name c) (resid 94 and name n) 1.0 -44.000 16 2
assign (resid 94 and name n)  (resid 94 and name ca)
       (resid 94 and name c) (resid 95 and name n) 1.0 -42.000 18 2
assign (resid 95 and name n)  (resid 95 and name ca)
       (resid 95 and name c) (resid 96 and name n) 1.0 -35.000 16 2
assign (resid 97 and name n)  (resid 97 and name ca)
       (resid 97 and name c) (resid 98 and name n) 1.0 -16.000 38 2
assign (resid 99 and name n)  (resid 99 and name ca)
       (resid 99 and name c) (resid 100 and name n) 1.0 -9.000 40 2
assign (resid 104 and name n)  (resid 104 and name ca)
       (resid 104 and name c) (resid 105 and name n) 1.0 126.000 42 2


!chi1
! Val
assign (resid 19 and name n) (resid 19 and name ca)
       (resid 19 and name cb) (resid 19 and name cg1) 1.0 -60 20 2
assign (resid 29 and name n) (resid 29 and name ca)
       (resid 29 and name cb) (resid 29 and name cg1) 1.0 180 20 2
assign (resid 32 and name n) (resid 32 and name ca)
       (resid 32 and name cb) (resid 32 and name cg1) 1.0 180 20 2
assign (resid 43 and name n) (resid 43 and name ca)
       (resid 43 and name cb) (resid 43 and name cg1) 1.0 -60 20 2
assign (resid 49 and name n) (resid 49 and name ca)
       (resid 49 and name cb) (resid 49 and name cg1) 1.0 180 20 2
assign (resid 52 and name n) (resid 52 and name ca)
       (resid 52 and name cb) (resid 52 and name cg1) 1.0 -60 20 2
assign (resid 59 and name n) (resid 59 and name ca)
       (resid 59 and name cb) (resid 59 and name cg1) 1.0 180 20 2
assign (resid 66 and name n) (resid 66 and name ca)
       (resid 66 and name cb) (resid 66 and name cg1) 1.0 -60 20 2
assign (resid 71 and name n) (resid 71 and name ca)
       (resid 71 and name cb) (resid 71 and name cg1) 1.0 180 20 2
assign (resid 80 and name n) (resid 80 and name ca)
       (resid 80 and name cb) (resid 80 and name cg1) 1.0 180 20 2

!Ile
assign (resid 28 and name n) (resid 28 and name ca)
       (resid 28 and name cb) (resid 28 and name cg1) 1.0 -60 30 2 
assign (resid 35 and name n) (resid 35 and name ca)
       (resid 35 and name cb) (resid 35 and name cg1) 1.0 -60 20 2
assign (resid 50 and name n) (resid 50 and name ca)
       (resid 50 and name cb) (resid 50 and name cg1) 1.0 -60 20 2
assign (resid 73 and name n) (resid 73 and name ca)
       (resid 73 and name cb) (resid 73 and name cg1) 1.0  60 30 2 
assign (resid 84 and name n) (resid 84 and name ca)
       (resid 84 and name cb) (resid 84 and name cg1) 1.0  60 30 2

! Thr
assign (resid 21 and name n) (resid 21 and name ca)
       (resid 21 and name cb) (resid 21 and name og1) 1.0  60 20 2
assign (resid 42 and name n) (resid 42 and name ca)
       (resid 42 and name cb) (resid 42 and name og1) 1.0  60 20 2
assign (resid 67 and name n) (resid 67 and name ca)
       (resid 67 and name cb) (resid 67 and name og1) 1.0  60 20 2
assign (resid 87 and name n) (resid 87 and name ca)
       (resid 87 and name cb) (resid 87 and name og1) 1.0  60 20 2

! Other
assign (resid 4 and name n) (resid 4 and name ca)
       (resid 4 and name cb) (resid 4 and name cg) 1.0 180 20 2
assign (resid 9 and name n) (resid 9 and name ca)
       (resid 9 and name cb) (resid 9 and name cg) 1.0  60 20 2
assign (resid 11 and name n) (resid 11 and name ca)
       (resid 11 and name cb) (resid 11 and name cg) 1.0 -60 20 2
assign (resid 13 and name n) (resid 13 and name ca)
       (resid 13 and name cb) (resid 13 and name cg) 1.0 180 20 2
assign (resid 14 and name n) (resid 14 and name ca)
       (resid 14 and name cb) (resid 14 and name cg) 1.0 -60 20 2
assign (resid 15 and name n) (resid 15 and name ca)
       (resid 15 and name cb) (resid 15 and name cg) 1.0 180 20 2
assign (resid 16 and name n) (resid 16 and name ca)
       (resid 16 and name cb) (resid 16 and name cg) 1.0 -60 20 2
assign (resid 17 and name n) (resid 17 and name ca)
       (resid 17 and name cb) (resid 17 and name cg) 1.0 180 20 2
assign (resid 18 and name n) (resid 18 and name ca)
       (resid 18 and name cb) (resid 18 and name cg) 1.0 -60 20 2
assign (resid 20 and name n) (resid 20 and name ca)
       (resid 20 and name cb) (resid 20 and name cg) 1.0  60 20 2
assign (resid 22 and name n) (resid 22 and name ca)
       (resid 22 and name cb) (resid 22 and name cg) 1.0  60 20 2
assign (resid 24 and name n) (resid 24 and name ca)
       (resid 24 and name cb) (resid 24 and name cg) 1.0 180 20 2
assign (resid 26 and name n) (resid 26 and name ca)
       (resid 26 and name cb) (resid 26 and name cg) 1.0 -60 20 2
assign (resid 27 and name n) (resid 27 and name ca)
       (resid 27 and name cb) (resid 27 and name cg) 1.0 180 30 2 
assign (resid 30 and name n) (resid 30 and name ca)
       (resid 30 and name cb) (resid 30 and name cg) 1.0 -60 20 2
assign (resid 31 and name n) (resid 31 and name ca)
       (resid 31 and name cb) (resid 31 and name cg) 1.0 -60 20 2
assign (resid 33 and name n) (resid 33 and name ca)
       (resid 33 and name cb) (resid 33 and name cg) 1.0 -60 20 2
assign (resid 34 and name n) (resid 34 and name ca)
       (resid 34 and name cb) (resid 34 and name cg) 1.0 -60 20 2
assign (resid 36 and name n) (resid 36 and name ca)
       (resid 36 and name cb) (resid 36 and name cg) 1.0 -60 20 2
assign (resid 46 and name n) (resid 46 and name ca)
       (resid 46 and name cb) (resid 46 and name og) 1.0 180 20 2
assign (resid 54 and name n) (resid 54 and name ca)
       (resid 54 and name cb) (resid 54 and name cg) 1.0 -60 20 2
assign (resid 55 and name n) (resid 55 and name ca)
       (resid 55 and name cb) (resid 55 and name cg) 1.0  60 20 2
assign (resid 57 and name n) (resid 57 and name ca)
       (resid 57 and name cb) (resid 57 and name cg) 1.0 180 20 2
assign (resid 58 and name n) (resid 58 and name ca)
       (resid 58 and name cb) (resid 58 and name cg) 1.0  60 30 2 
assign (resid 60 and name n) (resid 60 and name ca)
       (resid 60 and name cb) (resid 60 and name cg) 1.0 -60 20 2
assign (resid 61 and name n) (resid 61 and name ca)
       (resid 61 and name cb) (resid 61 and name cg) 1.0 180 20 2
assign (resid 62 and name n) (resid 62 and name ca)
       (resid 62 and name cb) (resid 62 and name cg) 1.0 -60 20 2
assign (resid 63 and name n) (resid 63 and name ca)
       (resid 63 and name cb) (resid 63 and name cg) 1.0 -60 20 2
assign (resid 64 and name n) (resid 64 and name ca)
       (resid 64 and name cb) (resid 64 and name cg) 1.0 180 20 2
assign (resid 70 and name n) (resid 70 and name ca)
       (resid 70 and name cb) (resid 70 and name cg) 1.0 180 20 2
assign (resid 72 and name n) (resid 72 and name ca)
       (resid 72 and name cb) (resid 72 and name cg) 1.0 180 20 2
assign (resid 77 and name n) (resid 77 and name ca)
       (resid 77 and name cb) (resid 77 and name og) 1.0 180 20 2
assign (resid 78 and name n) (resid 78 and name ca)
       (resid 78 and name cb) (resid 78 and name cg) 1.0 180 20 2
assign (resid 79 and name n) (resid 79 and name ca)
       (resid 79 and name cb) (resid 79 and name cg) 1.0 -60 20 2
assign (resid 81 and name n) (resid 81 and name ca)
       (resid 81 and name cb) (resid 81 and name cg) 1.0 -60 20 2
assign (resid 85 and name n) (resid 85 and name ca)
       (resid 85 and name cb) (resid 85 and name cg) 1.0  60 20 2
assign (resid 86 and name n) (resid 86 and name ca)
       (resid 86 and name cb) (resid 86 and name cg) 1.0 -60 20 2
assign (resid 88 and name n) (resid 88 and name ca)
       (resid 88 and name cb) (resid 88 and name cg) 1.0 -60 20 2
assign (resid 90 and name n) (resid 90 and name ca)
       (resid 90 and name cb) (resid 90 and name cg) 1.0 180 20 2
assign (resid 92 and name n) (resid 92 and name ca)
       (resid 92 and name cb) (resid 92 and name cg) 1.0 -60 20 2
assign (resid 93 and name n) (resid 93 and name ca)
       (resid 93 and name cb) (resid 93 and name cg) 1.0 -60 20 2
assign (resid 94 and name n) (resid 94 and name ca)
       (resid 94 and name cb) (resid 94 and name cg) 1.0 180 20 2
assign (resid 96 and name n) (resid 96 and name ca)
       (resid 96 and name cb) (resid 96 and name cg) 1.0 -60 20 2
assign (resid 97 and name n) (resid 97 and name ca)
       (resid 97 and name cb) (resid 97 and name cg) 1.0 -60 20 2
assign (resid 98 and name n) (resid 98 and name ca)
       (resid 98 and name cb) (resid 98 and name cg) 1.0 -60 20 2
assign (resid 100 and name n) (resid 100 and name ca)
       (resid 100 and name cb) (resid 100 and name cg) 1.0 -60 20 2
assign (resid 101 and name n) (resid 101 and name ca)
       (resid 101 and name cb) (resid 101 and name cg) 1.0 -60 20 2
assign (resid 102 and name n) (resid 102 and name ca)
       (resid 102 and name cb) (resid 102 and name cg) 1.0 -60 20 2


!chi2
assign (resid 28 and name ca) (resid 28 and name cb)
       (resid 28 and name cg1) (resid 28 and name cd1)  1.0 180 20 2
assign (resid 35 and name ca) (resid 35 and name cb)
       (resid 35 and name cg1) (resid 35 and name cd1)  1.0 180 20 2
assign (resid 50 and name ca) (resid 50 and name cb)
       (resid 50 and name cg1) (resid 50 and name cd1)  1.0 180 20 2
assign (resid 84 and name ca) (resid 84 and name cb)
       (resid 84 and name cg1) (resid 84 and name cd1)  1.0 180 20 2

!L9
assign (resid 8 and name c ) (resid 9 and name n )
       (resid 9 and name ca) (resid 9 and name c ) 7.5 0.5
 
!A10
assign (resid 9 and name c ) (resid 10 and name n )
       (resid 10 and name ca) (resid 10 and name c ) 5.1 0.5
 
!Q11
assign (resid 10 and name c ) (resid 11 and name n )
       (resid 11 and name ca) (resid 11 and name c ) 7.5 0.5
 
!L14
assign (resid 13 and name c ) (resid 14 and name n )
       (resid 14 and name ca) (resid 14 and name c ) 8.6 0.5
 
!L15
assign (resid 14 and name c ) (resid 15 and name n )
       (resid 15 and name ca) (resid 15 and name c ) 9.4 0.5
 
!Q16
assign (resid 15 and name c ) (resid 16 and name n )
       (resid 16 and name ca) (resid 16 and name c ) 8.8 0.5
 
!L17
assign (resid 16 and name c ) (resid 17 and name n )
       (resid 17 and name ca) (resid 17 and name c ) 8.5 0.5
 
!F18
assign (resid 17 and name c ) (resid 18 and name n )
       (resid 18 and name ca) (resid 18 and name c ) 8.9 0.5
 
!V19
assign (resid 18 and name c ) (resid 19 and name n )
       (resid 19 and name ca) (resid 19 and name c ) 10.0 0.5
 
!D20
assign (resid 19 and name c ) (resid 20 and name n )
       (resid 20 and name ca) (resid 20 and name c ) 8.7 0.5
 
!T21
assign (resid 20 and name c ) (resid 21 and name n )
       (resid 21 and name ca) (resid 21 and name c ) 8.4 0.5
 
!R22
assign (resid 21 and name c ) (resid 22 and name n )
       (resid 22 and name ca) (resid 22 and name c ) 5.9 0.5
 
!S25
assign (resid 24 and name c ) (resid 25 and name n )
       (resid 25 and name ca) (resid 25 and name c ) 5.1 0.5
 
!Q26
assign (resid 25 and name c ) (resid 26 and name n )
       (resid 26 and name ca) (resid 26 and name c ) 5.0 0.5
 
!I28
assign (resid 27 and name c ) (resid 28 and name n )
       (resid 28 and name ca) (resid 28 and name c ) 4.7 0.5
 
!V29
assign (resid 28 and name c ) (resid 29 and name n )
       (resid 29 and name ca) (resid 29 and name c ) 3.3 0.5
 
!Q30
assign (resid 29 and name c ) (resid 30 and name n )
       (resid 30 and name ca) (resid 30 and name c ) 3.9 0.5
 
!R31
assign (resid 30 and name c ) (resid 31 and name n )
       (resid 31 and name ca) (resid 31 and name c ) 4.9 0.5
 
!V32
assign (resid 31 and name c ) (resid 32 and name n )
       (resid 32 and name ca) (resid 32 and name c ) 4.6 0.5
 
!K33
assign (resid 32 and name c ) (resid 33 and name n )
       (resid 33 and name ca) (resid 33 and name c ) 4.0 0.5
 
!N34
assign (resid 33 and name c ) (resid 34 and name n )
       (resid 34 and name ca) (resid 34 and name c ) 4.7 0.5
 
!I35
assign (resid 34 and name c ) (resid 35 and name n )
       (resid 35 and name ca) (resid 35 and name c ) 5.5 0.5
 
!L36
assign (resid 35 and name c ) (resid 36 and name n )
       (resid 36 and name ca) (resid 36 and name c ) 4.3 0.5
 
!A37
assign (resid 36 and name c ) (resid 37 and name n )
       (resid 37 and name ca) (resid 37 and name c ) 4.7 0.5
 
!A38
assign (resid 37 and name c ) (resid 38 and name n )
       (resid 38 and name ca) (resid 38 and name c ) 7.3 0.5
 
!V39
assign (resid 38 and name c ) (resid 39 and name n )
       (resid 39 and name ca) (resid 39 and name c ) 7.4 0.5
 
!E40
assign (resid 39 and name c ) (resid 40 and name n )
       (resid 40 and name ca) (resid 40 and name c ) 6.4 0.5
 
!A41
assign (resid 40 and name c ) (resid 41 and name n )
       (resid 41 and name ca) (resid 41 and name c ) 6.3 0.5
 
!V43
assign (resid 42 and name c ) (resid 43 and name n )
       (resid 43 and name ca) (resid 43 and name c ) 9.1 0.5
 
!I45
assign (resid 44 and name c ) (resid 45 and name n )
       (resid 45 and name ca) (resid 45 and name c ) 8.7 0.5
 
!S46
assign (resid 45 and name c ) (resid 46 and name n )
       (resid 46 and name ca) (resid 46 and name c ) 9.2 0.5
 
!L47
assign (resid 46 and name c ) (resid 47 and name n )
       (resid 47 and name ca) (resid 47 and name c ) 8.6 0.5
 
!Q48
assign (resid 47 and name c ) (resid 48 and name n )
       (resid 48 and name ca) (resid 48 and name c ) 9.2 0.5
 
!V49
assign (resid 48 and name c ) (resid 49 and name n )
       (resid 49 and name ca) (resid 49 and name c ) 9.0 0.5
 
!I50
assign (resid 49 and name c ) (resid 50 and name n )
       (resid 50 and name ca) (resid 50 and name c ) 9.6 0.5
 
!N51
assign (resid 50 and name c ) (resid 51 and name n )
       (resid 51 and name ca) (resid 51 and name c ) 7.4 0.5
 
!V52
assign (resid 51 and name c ) (resid 52 and name n )
       (resid 52 and name ca) (resid 52 and name c ) 3.5 0.5
 
!A53
assign (resid 52 and name c ) (resid 53 and name n )
       (resid 53 and name ca) (resid 53 and name c ) 5.7 0.5
 
!D54
assign (resid 53 and name c ) (resid 54 and name n )
       (resid 54 and name ca) (resid 54 and name c ) 8.4 0.5
 
!Q57
assign (resid 56 and name c ) (resid 57 and name n )
       (resid 57 and name ca) (resid 57 and name c ) 7.1 0.5
 
!L58
assign (resid 57 and name c ) (resid 58 and name n )
       (resid 58 and name ca) (resid 58 and name c ) 5.9 0.5
 
!V59
assign (resid 58 and name c ) (resid 59 and name n )
       (resid 59 and name ca) (resid 59 and name c ) 5.0 0.5
 
!E60
assign (resid 59 and name c ) (resid 60 and name n )
       (resid 60 and name ca) (resid 60 and name c ) 5.5 0.5
 
!Y61
assign (resid 60 and name c ) (resid 61 and name n )
       (resid 61 and name ca) (resid 61 and name c ) 3.5 0.5
 
!Y62
assign (resid 61 and name c ) (resid 62 and name n )
       (resid 62 and name ca) (resid 62 and name c ) 7.3 0.5
 
!R63
assign (resid 62 and name c ) (resid 63 and name n )
       (resid 63 and name ca) (resid 63 and name c ) 7.3 0.5
 
!L64
assign (resid 63 and name c ) (resid 64 and name n )
       (resid 64 and name ca) (resid 64 and name c ) 4.0 0.5
 
!V65
assign (resid 64 and name c ) (resid 65 and name n )
       (resid 65 and name ca) (resid 65 and name c ) 8.6 0.5
 
!V66
assign (resid 65 and name c ) (resid 66 and name n )
       (resid 66 and name ca) (resid 66 and name c ) 8.7 0.5
 
!T67
assign (resid 66 and name c ) (resid 67 and name n )
       (resid 67 and name ca) (resid 67 and name c ) 9.1 0.5
 
!A69
assign (resid 68 and name c ) (resid 69 and name n )
       (resid 69 and name ca) (resid 69 and name c ) 7.8 0.5
 
!L70
assign (resid 69 and name c ) (resid 70 and name n )
       (resid 70 and name ca) (resid 70 and name c ) 9.2 0.5
 
!V71
assign (resid 70 and name c ) (resid 71 and name n )
       (resid 71 and name ca) (resid 71 and name c ) 9.1 0.5
 
!K72
assign (resid 71 and name c ) (resid 72 and name n )
       (resid 72 and name ca) (resid 72 and name c ) 8.2 0.5
 
!I73
assign (resid 72 and name c ) (resid 73 and name n )
       (resid 73 and name ca) (resid 73 and name c ) 9.6 0.5
 
!Q79
assign (resid 78 and name c ) (resid 79 and name n )
       (resid 79 and name ca) (resid 79 and name c ) 8.3 0.5
 
!V80
assign (resid 79 and name c ) (resid 80 and name n )
       (resid 80 and name ca) (resid 80 and name c ) 9.1 0.5
 
!L81
assign (resid 80 and name c ) (resid 81 and name n )
       (resid 81 and name ca) (resid 81 and name c ) 9.8 0.5
 
!S82
assign (resid 81 and name c ) (resid 82 and name n )
       (resid 82 and name ca) (resid 82 and name c ) 7.6 0.5
 
!I84
assign (resid 83 and name c ) (resid 84 and name n )
       (resid 84 and name ca) (resid 84 and name c ) 5.7 0.5
 
!D85
assign (resid 84 and name c ) (resid 85 and name n )
       (resid 85 and name ca) (resid 85 and name c ) 9.1 0.5
 
!L86
assign (resid 85 and name c ) (resid 86 and name n )
       (resid 86 and name ca) (resid 86 and name c ) 1.9 0.5
 
!T87
assign (resid 86 and name c ) (resid 87 and name n )
       (resid 87 and name ca) (resid 87 and name c ) 5.0 0.5
 
!D88
assign (resid 87 and name c ) (resid 88 and name n )
       (resid 88 and name ca) (resid 88 and name c ) 6.6 0.5
 
!Q89
assign (resid 88 and name c ) (resid 89 and name n )
       (resid 89 and name ca) (resid 89 and name c ) 4.9 0.5
 
!L90
assign (resid 89 and name c ) (resid 90 and name n )
       (resid 90 and name ca) (resid 90 and name c ) 3.2 0.5
 
!A91
assign (resid 90 and name c ) (resid 91 and name n )
       (resid 91 and name ca) (resid 91 and name c ) 3.4 0.5
 
!N92
assign (resid 91 and name c ) (resid 92 and name n )
       (resid 92 and name ca) (resid 92 and name c ) 6.8 0.5
 
!Q93
assign (resid 92 and name c ) (resid 93 and name n )
       (resid 93 and name ca) (resid 93 and name c ) 7.3 0.5
 
!L94
assign (resid 93 and name c ) (resid 94 and name n )
       (resid 94 and name ca) (resid 94 and name c ) 2.7 0.5
 
!W97
assign (resid 96 and name c ) (resid 97 and name n )
       (resid 97 and name ca) (resid 97 and name c ) 5.3 0.5
 
! S2
 assign ( resid 1 and name c ) ( resid 2 and name n )
 ( resid 2 and name ca) ( resid 2 and name c )
 ( resid 3 and name n )   58.27 64.13
 
! S3
 assign ( resid 2 and name c ) ( resid 3 and name n )
 ( resid 3 and name ca) ( resid 3 and name c )
 ( resid 4 and name n )   58.47 63.86
 
! L4
 assign ( resid 3 and name c ) ( resid 4 and name n )
 ( resid 4 and name ca) ( resid 4 and name c )
 ( resid 5 and name n )   55.09 42.55
 
! S5
 assign ( resid 4 and name c ) ( resid 5 and name n )
 ( resid 5 and name ca) ( resid 5 and name c )
 ( resid 6 and name n )   56.40 63.40
 
! P6
 assign ( resid 5 and name c ) ( resid 6 and name n )
 ( resid 6 and name ca) ( resid 6 and name c )
 ( resid 7 and name n )   63.77 32.07
 
! Q7
 assign ( resid 6 and name c ) ( resid 7 and name n )
 ( resid 7 and name ca) ( resid 7 and name c )
 ( resid 8 and name n )   56.22 29.45
 
! A8
 assign ( resid 7 and name c ) ( resid 8 and name n )
 ( resid 8 and name ca) ( resid 8 and name c )
 ( resid 9 and name n )   52.71 19.36
 
! L9
 assign ( resid 8 and name c ) ( resid 9 and name n )
 ( resid 9 and name ca) ( resid 9 and name c )
 ( resid 10 and name n )  55.06 42.76
 
! A10
 assign ( resid 9 and name c ) ( resid 10 and name n )
 ( resid 10 and name ca) ( resid 10 and name c )
 ( resid 11 and name n )  52.16 19.62
 
! Q11
 assign ( resid 10 and name c ) ( resid 11 and name n )
 ( resid 11 and name ca) ( resid 11 and name c )
 ( resid 12 and name n )  53.37 29.65
 
! P12
 assign ( resid 11 and name c ) ( resid 12 and name n )
 ( resid 12 and name ca) ( resid 12 and name c )
 ( resid 13 and name n )  62.33 32.16
 
! L13
 assign ( resid 12 and name c ) ( resid 13 and name n )
 ( resid 13 and name ca) ( resid 13 and name c )
 ( resid 14 and name n )  54.89 42.99
 
! L14
 assign ( resid 13 and name c ) ( resid 14 and name n )
 ( resid 14 and name ca) ( resid 14 and name c )
 ( resid 15 and name n )  54.38 43.75
 
! L15
 assign ( resid 14 and name c ) ( resid 15 and name n )
 ( resid 15 and name ca) ( resid 15 and name c )
 ( resid 16 and name n )  52.78 46.06
 
! Q16
 assign ( resid 15 and name c ) ( resid 16 and name n )
 ( resid 16 and name ca) ( resid 16 and name c )
 ( resid 17 and name n )  54.43 32.34
 
! L17
 assign ( resid 16 and name c ) ( resid 17 and name n )
 ( resid 17 and name ca) ( resid 17 and name c )
 ( resid 18 and name n )  53.23 45.08
 
! F18
 assign ( resid 17 and name c ) ( resid 18 and name n )
 ( resid 18 and name ca) ( resid 18 and name c )
 ( resid 19 and name n )  57.41 40.40
 
! V19
 assign ( resid 18 and name c ) ( resid 19 and name n )
 ( resid 19 and name ca) ( resid 19 and name c )
 ( resid 20 and name n )  58.97 36.00
 
! D20
 assign ( resid 19 and name c ) ( resid 20 and name n )
 ( resid 20 and name ca) ( resid 20 and name c )
 ( resid 21 and name n )  52.32 42.39
 
! T21
 assign ( resid 20 and name c ) ( resid 21 and name n )
 ( resid 21 and name ca) ( resid 21 and name c )
 ( resid 22 and name n )  61.88 68.94
 
! R22
 assign ( resid 21 and name c ) ( resid 22 and name n )
 ( resid 22 and name ca) ( resid 22 and name c )
 ( resid 23 and name n )  56.02 29.35
 
! P23
 assign ( resid 22 and name c ) ( resid 23 and name n )
 ( resid 23 and name ca) ( resid 23 and name c )
 ( resid 24 and name n )  66.07 31.89
 
! L24
 assign ( resid 23 and name c ) ( resid 24 and name n )
 ( resid 24 and name ca) ( resid 24 and name c )
 ( resid 25 and name n )  57.93 41.72
 
! S25
 assign ( resid 24 and name c ) ( resid 25 and name n )
 ( resid 25 and name ca) ( resid 25 and name c )
 ( resid 26 and name n )  62.84 63.00
 
! Q26
 assign ( resid 25 and name c ) ( resid 26 and name n )
 ( resid 26 and name ca) ( resid 26 and name c )
 ( resid 27 and name n )  58.69 27.92
 
! H27
 assign ( resid 26 and name c ) ( resid 27 and name n )
 ( resid 27 and name ca) ( resid 27 and name c )
 ( resid 28 and name n )  58.67 30.44
 
! I28
 assign ( resid 27 and name c ) ( resid 28 and name n )
 ( resid 28 and name ca) ( resid 28 and name c )
 ( resid 29 and name n )  64.27 37.26
 
! V29
 assign ( resid 28 and name c ) ( resid 29 and name n )
 ( resid 29 and name ca) ( resid 29 and name c )
 ( resid 30 and name n )  67.53 31.76
 
! Q30
 assign ( resid 29 and name c ) ( resid 30 and name n )
 ( resid 30 and name ca) ( resid 30 and name c )
 ( resid 31 and name n )  58.70 28.53
 
! R31
 assign ( resid 30 and name c ) ( resid 31 and name n )
 ( resid 31 and name ca) ( resid 31 and name c )
 ( resid 32 and name n )  59.33 30.41
 
! V32
 assign ( resid 31 and name c ) ( resid 32 and name n )
 ( resid 32 and name ca) ( resid 32 and name c )
 ( resid 33 and name n )  67.51 31.04
 
! K33
 assign ( resid 32 and name c ) ( resid 33 and name n )
 ( resid 33 and name ca) ( resid 33 and name c )
 ( resid 34 and name n )  61.16 32.11 
 
! N34
 assign ( resid 33 and name c ) ( resid 34 and name n )
 ( resid 34 and name ca) ( resid 34 and name c )
 ( resid 35 and name n )  56.10 38.10
 
! I35
 assign ( resid 34 and name c ) ( resid 35 and name n )
 ( resid 35 and name ca) ( resid 35 and name c )
 ( resid 36 and name n )  65.24 38.44
 
! L36
 assign ( resid 35 and name c ) ( resid 36 and name n )
 ( resid 36 and name ca) ( resid 36 and name c )
 ( resid 37 and name n )  57.34 40.93
 
! A37
 assign ( resid 36 and name c ) ( resid 37 and name n )
 ( resid 37 and name ca) ( resid 37 and name c )
 ( resid 38 and name n )  53.87 18.50
 
! A38
 assign ( resid 37 and name c ) ( resid 38 and name n )
 ( resid 38 and name ca) ( resid 38 and name c )
 ( resid 39 and name n )  52.80 19.29
 
! V39
 assign ( resid 38 and name c ) ( resid 39 and name n )
 ( resid 39 and name ca) ( resid 39 and name c )
 ( resid 40 and name n )  62.04 32.75
 
! E40
 assign ( resid 39 and name c ) ( resid 40 and name n )
 ( resid 40 and name ca) ( resid 40 and name c )
 ( resid 41 and name n )  56.81 29.47
 
! A41
 assign ( resid 40 and name c ) ( resid 41 and name n )
 ( resid 41 and name ca) ( resid 41 and name c )
 ( resid 42 and name n )  52.53 20.37
 
! T42
 assign ( resid 41 and name c ) ( resid 42 and name n )
 ( resid 42 and name ca) ( resid 42 and name c )
 ( resid 43 and name n )  62.65 69.15
 
! V43
 assign ( resid 42 and name c ) ( resid 43 and name n )
 ( resid 43 and name ca) ( resid 43 and name c )
 ( resid 44 and name n )  58.69 33.71
 
! P44
 assign ( resid 43 and name c ) ( resid 44 and name n )
 ( resid 44 and name ca) ( resid 44 and name c )
 ( resid 45 and name n )  62.57 31.80
 
! I45
 assign ( resid 44 and name c ) ( resid 45 and name n )
 ( resid 45 and name ca) ( resid 45 and name c )
 ( resid 46 and name n )  60.61 40.66
 
! S46
 assign ( resid 45 and name c ) ( resid 46 and name n )
 ( resid 46 and name ca) ( resid 46 and name c )
 ( resid 47 and name n )  56.26 64.19
 
! L47
 assign ( resid 46 and name c ) ( resid 47 and name n )
 ( resid 47 and name ca) ( resid 47 and name c )
 ( resid 48 and name n )  53.48 44.14
 
! Q48
 assign ( resid 47 and name c ) ( resid 48 and name n )
 ( resid 48 and name ca) ( resid 48 and name c )
 ( resid 49 and name n )  54.21 31.05
 
! V49
 assign ( resid 48 and name c ) ( resid 49 and name n )
 ( resid 49 and name ca) ( resid 49 and name c )
 ( resid 50 and name n )  62.52 32.08
 
! I50
 assign ( resid 49 and name c ) ( resid 50 and name n )
 ( resid 50 and name ca) ( resid 50 and name c )
 ( resid 51 and name n )  60.28 41.24
 
! N51
 assign ( resid 50 and name c ) ( resid 51 and name n )
 ( resid 51 and name ca) ( resid 51 and name c )
 ( resid 52 and name n )  52.26 38.31
 
! V52
 assign ( resid 51 and name c ) ( resid 52 and name n )
 ( resid 52 and name ca) ( resid 52 and name c )
 ( resid 53 and name n )  65.50 31.76
 
! A53
 assign ( resid 52 and name c ) ( resid 53 and name n )
 ( resid 53 and name ca) ( resid 53 and name c )
 ( resid 54 and name n )  53.77 18.96
 
! D54
 assign ( resid 53 and name c ) ( resid 54 and name n )
 ( resid 54 and name ca) ( resid 54 and name c )
 ( resid 55 and name n )  55.51 41.94
 
! Q55
 assign ( resid 54 and name c ) ( resid 55 and name n )
 ( resid 55 and name ca) ( resid 55 and name c )
 ( resid 56 and name n )  53.37 29.58
 
! P56
 assign ( resid 55 and name c ) ( resid 56 and name n )
 ( resid 56 and name ca) ( resid 56 and name c )
 ( resid 57 and name n )  65.27 31.39
 
! Q57
 assign ( resid 56 and name c ) ( resid 57 and name n )
 ( resid 57 and name ca) ( resid 57 and name c )
 ( resid 58 and name n )  58.85 27.34
 
! L58
 assign ( resid 57 and name c ) ( resid 58 and name n )
 ( resid 58 and name ca) ( resid 58 and name c )
 ( resid 59 and name n )  57.22 42.27
 
! V59
 assign ( resid 58 and name c ) ( resid 59 and name n )
 ( resid 59 and name ca) ( resid 59 and name c )
 ( resid 60 and name n )  66.77 31.77
 
! E60
 assign ( resid 59 and name c ) ( resid 60 and name n )
 ( resid 60 and name ca) ( resid 60 and name c )
 ( resid 61 and name n )  58.81 29.75
 
! Y61
 assign ( resid 60 and name c ) ( resid 61 and name n )
 ( resid 61 and name ca) ( resid 61 and name c )
 ( resid 62 and name n )  61.28 38.68
 
! Y62
 assign ( resid 61 and name c ) ( resid 62 and name n )
 ( resid 62 and name ca) ( resid 62 and name c )
 ( resid 63 and name n )  56.64 37.82
 
! R63
 assign ( resid 62 and name c ) ( resid 63 and name n )
 ( resid 63 and name ca) ( resid 63 and name c )
 ( resid 64 and name n )  56.30 26.57
 
! L64
 assign ( resid 63 and name c ) ( resid 64 and name n )
 ( resid 64 and name ca) ( resid 64 and name c )
 ( resid 65 and name n )  54.67 40.90
 
! V65
 assign ( resid 64 and name c ) ( resid 65 and name n )
 ( resid 65 and name ca) ( resid 65 and name c )
 ( resid 66 and name n )  62.95 33.02
 
! V66
 assign ( resid 65 and name c ) ( resid 66 and name n )
 ( resid 66 and name ca) ( resid 66 and name c )
 ( resid 67 and name n )  61.26 35.02
 
! T67
 assign ( resid 66 and name c ) ( resid 67 and name n )
 ( resid 67 and name ca) ( resid 67 and name c )
 ( resid 68 and name n )  58.65 69.58
 
! P68
 assign ( resid 67 and name c ) ( resid 68 and name n )
 ( resid 68 and name ca) ( resid 68 and name c )
 ( resid 69 and name n )  62.15 35.65
 
! A69
 assign ( resid 68 and name c ) ( resid 69 and name n )
 ( resid 69 and name ca) ( resid 69 and name c )
 ( resid 70 and name n )  51.70 23.56
 
! L70
 assign ( resid 69 and name c ) ( resid 70 and name n )
 ( resid 70 and name ca) ( resid 70 and name c )
 ( resid 71 and name n )  53.46 46.21
 
! V71
 assign ( resid 70 and name c ) ( resid 71 and name n )
 ( resid 71 and name ca) ( resid 71 and name c )
 ( resid 72 and name n )  60.85 34.13
 
! K72
 assign ( resid 71 and name c ) ( resid 72 and name n )
 ( resid 72 and name ca) ( resid 72 and name c )
 ( resid 73 and name n )  55.48 31.42
 
! I73
 assign ( resid 72 and name c ) ( resid 73 and name n )
 ( resid 73 and name ca) ( resid 73 and name c )
 ( resid 74 and name n )  61.80 38.76
 
! P75
 assign ( resid 74 and name c ) ( resid 75 and name n )
 ( resid 75 and name ca) ( resid 75 and name c )
 ( resid 76 and name n )  61.84 34.70
 
! S77
 assign ( resid 76 and name c ) ( resid 77 and name n )
 ( resid 77 and name ca) ( resid 77 and name c )
 ( resid 78 and name n )  58.53 64.11
 
! R78
 assign ( resid 77 and name c ) ( resid 78 and name n )
 ( resid 78 and name ca) ( resid 78 and name c )
 ( resid 79 and name n )  56.10 30.96
 
! Q79
 assign ( resid 78 and name c ) ( resid 79 and name n )
 ( resid 79 and name ca) ( resid 79 and name c )
 ( resid 80 and name n )  54.92 33.48
 
! V80
 assign ( resid 79 and name c ) ( resid 80 and name n )
 ( resid 80 and name ca) ( resid 80 and name c )
 ( resid 81 and name n )  61.74 34.20
 
! L81
 assign ( resid 80 and name c ) ( resid 81 and name n )
 ( resid 81 and name ca) ( resid 81 and name c )
 ( resid 82 and name n )  53.64 43.64
 
! S82
 assign ( resid 81 and name c ) ( resid 82 and name n )
 ( resid 82 and name ca) ( resid 82 and name c )
 ( resid 83 and name n )  58.21 66.36
 
! I84
 assign ( resid 83 and name c ) ( resid 84 and name n )
 ( resid 84 and name ca) ( resid 84 and name c )
 ( resid 85 and name n )  63.72 38.39
 
! D85
 assign ( resid 84 and name c ) ( resid 85 and name n )
 ( resid 85 and name ca) ( resid 85 and name c )
 ( resid 86 and name n )  52.96 39.88
 
! L86
 assign ( resid 85 and name c ) ( resid 86 and name n )
 ( resid 86 and name ca) ( resid 86 and name c )
 ( resid 87 and name n )  59.79 41.95
 
! T87
 assign ( resid 86 and name c ) ( resid 87 and name n )
 ( resid 87 and name ca) ( resid 87 and name c )
 ( resid 88 and name n )  65.98 66.90
 
! D88
 assign ( resid 87 and name c ) ( resid 88 and name n )
 ( resid 88 and name ca) ( resid 88 and name c )
 ( resid 89 and name n )  57.25 40.66
 
! Q89
 assign ( resid 88 and name c ) ( resid 89 and name n )
 ( resid 89 and name ca) ( resid 89 and name c )
 ( resid 90 and name n )  58.83 30.23
 
! L90
 assign ( resid 89 and name c ) ( resid 90 and name n )
 ( resid 90 and name ca) ( resid 90 and name c )
 ( resid 91 and name n )  57.98 41.65
 
! A91
 assign ( resid 90 and name c ) ( resid 91 and name n )
 ( resid 91 and name ca) ( resid 91 and name c )
 ( resid 92 and name n )  55.15 17.88
 
! N92
 assign ( resid 91 and name c ) ( resid 92 and name n )
 ( resid 92 and name ca) ( resid 92 and name c )
 ( resid 93 and name n )  55.26 39.63
 
! Q93
 assign ( resid 92 and name c ) ( resid 93 and name n )
 ( resid 93 and name ca) ( resid 93 and name c )
 ( resid 94 and name n )  56.82 29.27
 
! L94
 assign ( resid 93 and name c ) ( resid 94 and name n )
 ( resid 94 and name ca) ( resid 94 and name c )
 ( resid 95 and name n )  59.72 39.77
 
! P95
 assign ( resid 94 and name c ) ( resid 95 and name n )
 ( resid 95 and name ca) ( resid 95 and name c )
 ( resid 96 and name n )  66.26 30.98
 
! Q96
 assign ( resid 95 and name c ) ( resid 96 and name n )
 ( resid 96 and name ca) ( resid 96 and name c )
 ( resid 97 and name n )  57.97 28.28
 
! W97
 assign ( resid 96 and name c ) ( resid 97 and name n )
 ( resid 97 and name ca) ( resid 97 and name c )
 ( resid 98 and name n )  56.89 29.43
 
! L98
 assign ( resid 97 and name c ) ( resid 98 and name n )
 ( resid 98 and name ca) ( resid 98 and name c )
 ( resid 99 and name n )  56.37 42.02
 
! V99
 assign ( resid 98 and name c ) ( resid 99 and name n )
 ( resid 99 and name ca) ( resid 99 and name c )
 ( resid 100 and name n )  62.96 32.49
 
! Q100
 assign ( resid 99 and name c ) ( resid 100 and name n )
 ( resid 100 and name ca) ( resid 100 and name c )
 ( resid 101 and name n )  56.62 28.95
 
! Q101
 assign ( resid 100 and name c ) ( resid 101 and name n )
 ( resid 101 and name ca) ( resid 101 and name c )
 ( resid 102 and name n )  56.04 29.89
 
! E102
 assign ( resid 101 and name c ) ( resid 102 and name n )
 ( resid 102 and name ca) ( resid 102 and name c )
 ( resid 103 and name n )  57.00 30.50
 
! I104
 assign ( resid 103 and name c ) ( resid 104 and name n )
 ( resid 104 and name ca) ( resid 104 and name c )
 ( resid 105 and name n )  61.09 38.59
 

  Entry H atom name         Submitted Coord H atom name
    1   1H    GLY   1           HT1      GLY   1 -32.690  10.554  -2.939
    2   2H    GLY   1           HT2      GLY   1 -33.611   9.127  -2.942
    3   3H    GLY   1           HT3      GLY   1 -32.068   9.143  -3.647
    4   1HA   GLY   1          HA2       GLY   1 -32.784   9.241  -0.777
    5   2HA   GLY   1          HA1       GLY   1 -31.726   8.093  -1.606
    6    H    SER   2           HN       SER   2 -29.819   8.511  -0.406
    7    HA   SER   2           HA       SER   2 -28.693  10.664   0.670
    8   1HB   SER   2          HB2       SER   2 -26.935   9.435  -1.404
    9   2HB   SER   2          HB1       SER   2 -26.604   9.779   0.291
   10    HG   SER   2           HG       SER   2 -28.617   8.022   0.072
   11    H    SER   3           HN       SER   3 -27.119  12.385  -0.221
   12    HA   SER   3           HA       SER   3 -27.838  14.429  -1.453
   13   1HB   SER   3          HB2       SER   3 -25.784  14.697  -2.361
   14   2HB   SER   3          HB1       SER   3 -25.453  13.031  -1.887
   15    HG   SER   3           HG       SER   3 -25.349  12.662  -3.965
   16    H    LEU   4           HN       LEU   4 -29.482  11.979  -1.984
   17    HA   LEU   4           HA       LEU   4 -31.355  11.727  -3.340
   18   1HB   LEU   4          HB2       LEU   4 -30.741  14.038  -4.352
   19   2HB   LEU   4          HB1       LEU   4 -29.942  13.105  -5.620
   20    HG   LEU   4           HG       LEU   4 -32.745  13.633  -5.277
   21   1HD1  LEU   4          HD11      LEU   4 -31.771  13.792  -7.411
   22   2HD1  LEU   4          HD12      LEU   4 -32.788  12.353  -7.490
   23   3HD1  LEU   4          HD13      LEU   4 -31.040  12.191  -7.295
   24   1HD2  LEU   4          HD21      LEU   4 -33.493  11.211  -5.671
   25   2HD2  LEU   4          HD22      LEU   4 -33.028  11.621  -4.020
   26   3HD2  LEU   4          HD23      LEU   4 -31.911  10.726  -5.049
   27    H    SER   5           HN       SER   5 -28.169  11.013  -3.554
   28    HA   SER   5           HA       SER   5 -28.391   8.980  -5.660
   29   1HB   SER   5          HB2       SER   5 -25.925   9.409  -4.006
   30   2HB   SER   5          HB1       SER   5 -26.066   8.923  -5.696
   31    HG   SER   5           HG       SER   5 -25.848  11.389  -4.606
   32    HA   PRO   6           HA       PRO   6 -29.286   5.954  -2.546
   33   1HB   PRO   6          HB2       PRO   6 -28.926   3.866  -4.490
   34   2HB   PRO   6          HB1       PRO   6 -30.435   4.564  -3.887
   35   1HG   PRO   6          HG2       PRO   6 -29.470   4.848  -6.452
   36   2HG   PRO   6          HG1       PRO   6 -30.670   5.898  -5.684
   37   1HD   PRO   6          HD2       PRO   6 -27.747   6.397  -6.127
   38   2HD   PRO   6          HD1       PRO   6 -29.103   7.554  -6.115
   39    H    GLN   7           HN       GLN   7 -26.487   6.691  -2.370
   40    HA   GLN   7           HA       GLN   7 -25.391   4.648  -1.003
   41   1HB   GLN   7          HB2       GLN   7 -25.866   3.604  -3.486
   42   2HB   GLN   7          HB1       GLN   7 -24.155   4.033  -3.586
   43   1HG   GLN   7          HG2       GLN   7 -25.000   1.707  -2.516
   44   2HG   GLN   7          HG1       GLN   7 -23.535   2.527  -1.984
   45   1HE2  GLN   7          HE21      GLN   7 -24.493   0.990  -0.054
   46   2HE2  GLN   7          HE22      GLN   7 -25.362   1.868   1.114
   47    H    ALA   8           HN       ALA   8 -23.598   5.256  -0.132
   48    HA   ALA   8           HA       ALA   8 -21.973   7.354  -1.371
   49   1HB   ALA   8          HB1       ALA   8 -22.148   6.125   1.376
   50   2HB   ALA   8          HB2       ALA   8 -22.208   7.825   0.918
   51   3HB   ALA   8          HB3       ALA   8 -20.671   6.961   0.891
   52    H    LEU   9           HN       LEU   9 -20.585   6.562  -2.863
   53    HA   LEU   9           HA       LEU   9 -19.899   3.831  -2.999
   54   1HB   LEU   9          HB2       LEU   9 -18.125   4.642  -4.636
   55   2HB   LEU   9          HB1       LEU   9 -19.794   5.058  -5.029
   56    HG   LEU   9           HG       LEU   9 -18.389   7.015  -3.313
   57   1HD1  LEU   9          HD11      LEU   9 -17.539   6.472  -6.170
   58   2HD1  LEU   9          HD12      LEU   9 -16.516   6.523  -4.734
   59   3HD1  LEU   9          HD13      LEU   9 -17.245   8.006  -5.350
   60   1HD2  LEU   9          HD21      LEU   9 -19.674   8.567  -4.547
   61   2HD2  LEU   9          HD22      LEU   9 -20.717   7.147  -4.457
   62   3HD2  LEU   9          HD23      LEU   9 -19.813   7.487  -5.934
   63    H    ALA  10           HN       ALA  10 -18.105   2.718  -2.460
   64    HA   ALA  10           HA       ALA  10 -16.749   3.447  -0.122
   65   1HB   ALA  10          HB1       ALA  10 -15.700   1.406  -0.300
   66   2HB   ALA  10          HB2       ALA  10 -15.469   1.558  -2.042
   67   3HB   ALA  10          HB3       ALA  10 -17.054   1.132  -1.396
   68    H    GLN  11           HN       GLN  11 -14.707   4.268   0.246
   69    HA   GLN  11           HA       GLN  11 -13.702   6.020  -1.811
   70   1HB   GLN  11          HB2       GLN  11 -12.285   5.428   0.777
   71   2HB   GLN  11          HB1       GLN  11 -12.341   6.937  -0.140
   72   1HG   GLN  11          HG2       GLN  11 -15.021   6.191   0.509
   73   2HG   GLN  11          HG1       GLN  11 -14.059   6.112   1.984
   74   1HE2  GLN  11          HE21      GLN  11 -12.162   8.237   1.055
   75   2HE2  GLN  11          HE22      GLN  11 -13.024   9.695   1.170
   76    HA   PRO  12           HA       PRO  12 -11.142   3.143  -3.915
   77   1HB   PRO  12          HB2       PRO  12  -9.057   5.122  -4.184
   78   2HB   PRO  12          HB1       PRO  12 -10.204   4.562  -5.412
   79   1HG   PRO  12          HG2       PRO  12 -10.281   6.973  -3.745
   80   2HG   PRO  12          HG1       PRO  12 -11.099   6.628  -5.277
   81   1HD   PRO  12          HD2       PRO  12 -12.445   6.763  -2.915
   82   2HD   PRO  12          HD1       PRO  12 -12.949   5.678  -4.234
   83    H    LEU  13           HN       LEU  13  -9.423   1.795  -3.381
   84    HA   LEU  13           HA       LEU  13  -8.616   1.736  -0.683
   85   1HB   LEU  13          HB2       LEU  13  -8.690  -0.228  -2.270
   86   2HB   LEU  13          HB1       LEU  13  -7.202   0.388  -2.992
   87    HG   LEU  13           HG       LEU  13  -7.569  -0.325  -0.068
   88   1HD1  LEU  13          HD11      LEU  13  -5.681  -2.009  -0.919
   89   2HD1  LEU  13          HD12      LEU  13  -6.517  -1.785  -2.456
   90   3HD1  LEU  13          HD13      LEU  13  -7.394  -2.407  -1.057
   91   1HD2  LEU  13          HD21      LEU  13  -5.935   1.358  -0.109
   92   2HD2  LEU  13          HD22      LEU  13  -5.330   0.865  -1.690
   93   3HD2  LEU  13          HD23      LEU  13  -4.965  -0.107  -0.264
   94    H    LEU  14           HN       LEU  14  -7.101   2.854   0.351
   95    HA   LEU  14           HA       LEU  14  -5.332   4.575  -1.184
   96   1HB   LEU  14          HB2       LEU  14  -5.770   4.319   1.801
   97   2HB   LEU  14          HB1       LEU  14  -4.798   5.554   1.007
   98    HG   LEU  14           HG       LEU  14  -7.774   5.209   1.015
   99   1HD1  LEU  14          HD11      LEU  14  -7.612   7.716   1.190
  100   2HD1  LEU  14          HD12      LEU  14  -5.857   7.548   1.218
  101   3HD1  LEU  14          HD13      LEU  14  -6.830   6.857   2.517
  102   1HD2  LEU  14          HD21      LEU  14  -7.928   6.677  -0.973
  103   2HD2  LEU  14          HD22      LEU  14  -7.149   5.146  -1.370
  104   3HD2  LEU  14          HD23      LEU  14  -6.176   6.602  -1.158
  105    H    LEU  15           HN       LEU  15  -3.637   3.537  -1.976
  106    HA   LEU  15           HA       LEU  15  -2.006   1.915  -0.120
  107   1HB   LEU  15          HB2       LEU  15  -3.172   0.674  -2.030
  108   2HB   LEU  15          HB1       LEU  15  -2.104   1.559  -3.119
  109    HG   LEU  15           HG       LEU  15  -1.207  -0.687  -2.490
  110   1HD1  LEU  15          HD11      LEU  15   1.023   0.079  -2.148
  111   2HD1  LEU  15          HD12      LEU  15   0.474   1.521  -1.292
  112   3HD1  LEU  15          HD13      LEU  15   0.212   1.374  -3.030
  113   1HD2  LEU  15          HD21      LEU  15  -1.170  -1.366  -0.338
  114   2HD2  LEU  15          HD22      LEU  15  -2.081   0.088   0.069
  115   3HD2  LEU  15          HD23      LEU  15  -0.320   0.096   0.162
  116    H    GLN  16           HN       GLN  16   0.163   2.356  -0.049
  117    HA   GLN  16           HA       GLN  16   1.202   4.383  -1.921
  118   1HB   GLN  16          HB2       GLN  16   1.185   4.486   1.082
  119   2HB   GLN  16          HB1       GLN  16   2.448   5.305   0.161
  120   1HG   GLN  16          HG2       GLN  16   0.821   6.626  -1.033
  121   2HG   GLN  16          HG1       GLN  16  -0.510   5.693  -0.353
  122   1HE2  GLN  16          HE21      GLN  16   2.227   6.545   1.694
  123   2HE2  GLN  16          HE22      GLN  16   1.407   7.710   2.617
  124    H    LEU  17           HN       LEU  17   3.597   4.541  -1.823
  125    HA   LEU  17           HA       LEU  17   4.943   2.117  -0.871
  126   1HB   LEU  17          HB2       LEU  17   4.207   1.615  -3.175
  127   2HB   LEU  17          HB1       LEU  17   5.049   3.054  -3.749
  128    HG   LEU  17           HG       LEU  17   7.152   2.052  -2.659
  129   1HD1  LEU  17          HD11      LEU  17   6.275   0.342  -1.275
  130   2HD1  LEU  17          HD12      LEU  17   6.971  -0.525  -2.644
  131   3HD1  LEU  17          HD13      LEU  17   5.228  -0.272  -2.555
  132   1HD2  LEU  17          HD21      LEU  17   6.542   0.130  -4.755
  133   2HD2  LEU  17          HD22      LEU  17   7.675   1.482  -4.783
  134   3HD2  LEU  17          HD23      LEU  17   5.980   1.743  -5.194
  135    H    PHE  18           HN       PHE  18   6.801   2.656   0.070
  136    HA   PHE  18           HA       PHE  18   7.904   5.337  -0.380
  137   1HB   PHE  18          HB2       PHE  18   8.317   3.227   1.734
  138   2HB   PHE  18          HB1       PHE  18   9.412   4.600   1.577
  139    HD1  PHE  18           HD1      PHE  18   5.947   3.563   2.330
  140    HD2  PHE  18           HD2      PHE  18   8.699   6.854   2.118
  141    HE1  PHE  18           HE1      PHE  18   4.338   4.988   3.567
  142    HE2  PHE  18           HE2      PHE  18   7.091   8.283   3.355
  143    HZ   PHE  18           HZ       PHE  18   4.910   7.347   4.080
  144    H    VAL  19           HN       VAL  19   9.538   5.612  -1.758
  145    HA   VAL  19           HA       VAL  19  11.435   3.381  -2.150
  146    HB   VAL  19           HB       VAL  19  11.451   3.736  -4.523
  147   1HG1  VAL  19          HG11      VAL  19   8.695   3.756  -4.748
  148   2HG1  VAL  19          HG12      VAL  19   8.943   3.219  -3.086
  149   3HG1  VAL  19          HG13      VAL  19   9.677   2.328  -4.420
  150   1HG2  VAL  19          HG21      VAL  19  10.309   6.298  -3.741
  151   2HG2  VAL  19          HG22      VAL  19   9.376   5.549  -5.037
  152   3HG2  VAL  19          HG23      VAL  19  11.101   5.847  -5.250
  153    H    ASP  20           HN       ASP  20  13.493   4.063  -3.101
  154    HA   ASP  20           HA       ASP  20  14.249   6.764  -2.173
  155   1HB   ASP  20          HB2       ASP  20  16.510   5.886  -1.917
  156   2HB   ASP  20          HB1       ASP  20  15.375   4.874  -1.025
  157    H    THR  21           HN       THR  21  13.067   6.001  -4.790
  158    HA   THR  21           HA       THR  21  13.310   6.714  -6.964
  159    HB   THR  21           HB       THR  21  14.917   8.353  -7.496
  160    HG1  THR  21           HG1      THR  21  16.414   7.317  -5.322
  161   1HG2  THR  21          HG21      THR  21  15.050   9.763  -5.373
  162   2HG2  THR  21          HG22      THR  21  14.260   8.420  -4.546
  163   3HG2  THR  21          HG23      THR  21  13.432   9.257  -5.859
  164    H    ARG  22           HN       ARG  22  15.018   4.374  -5.491
  165    HA   ARG  22           HA       ARG  22  16.990   3.750  -7.480
  166   1HB   ARG  22          HB2       ARG  22  17.367   1.744  -6.242
  167   2HB   ARG  22          HB1       ARG  22  17.046   3.010  -5.057
  168   1HG   ARG  22          HG2       ARG  22  14.573   2.247  -5.218
  169   2HG   ARG  22          HG1       ARG  22  15.224   0.792  -5.974
  170   1HD   ARG  22          HD2       ARG  22  16.393   1.774  -3.389
  171   2HD   ARG  22          HD1       ARG  22  14.894   0.850  -3.374
  172    HE   ARG  22           HE       ARG  22  16.522  -0.681  -4.915
  173   1HH1  ARG  22          HH11      ARG  22  15.762  -1.059  -1.888
  174   2HH1  ARG  22          HH12      ARG  22  17.324  -1.427  -1.237
  175   1HH2  ARG  22          HH21      ARG  22  19.044  -0.343  -4.040
  176   2HH2  ARG  22          HH22      ARG  22  19.179  -1.021  -2.452
  177    HA   PRO  23           HA       PRO  23  14.550   2.058 -10.715
  178   1HB   PRO  23          HB2       PRO  23  16.358  -0.145 -11.109
  179   2HB   PRO  23          HB1       PRO  23  16.217   1.338 -12.064
  180   1HG   PRO  23          HG2       PRO  23  18.165   0.622 -10.023
  181   2HG   PRO  23          HG1       PRO  23  18.234   1.892 -11.253
  182   1HD   PRO  23          HD2       PRO  23  17.917   2.390  -8.565
  183   2HD   PRO  23          HD1       PRO  23  17.346   3.485  -9.843
  184    H    LEU  24           HN       LEU  24  15.885  -0.158  -8.279
  185    HA   LEU  24           HA       LEU  24  14.280  -2.387  -8.746
  186   1HB   LEU  24          HB2       LEU  24  16.195  -2.274  -7.137
  187   2HB   LEU  24          HB1       LEU  24  15.158  -1.372  -6.032
  188    HG   LEU  24           HG       LEU  24  13.497  -3.359  -6.358
  189   1HD1  LEU  24          HD11      LEU  24  14.303  -4.823  -7.910
  190   2HD1  LEU  24          HD12      LEU  24  15.260  -5.435  -6.561
  191   3HD1  LEU  24          HD13      LEU  24  15.969  -4.285  -7.695
  192   1HD2  LEU  24          HD21      LEU  24  14.652  -4.599  -4.524
  193   2HD2  LEU  24          HD22      LEU  24  14.615  -2.857  -4.243
  194   3HD2  LEU  24          HD23      LEU  24  16.096  -3.627  -4.815
  195    H    SER  25           HN       SER  25  13.633   0.503  -6.782
  196    HA   SER  25           HA       SER  25  11.112  -0.321  -5.789
  197   1HB   SER  25          HB2       SER  25  11.039   2.474  -6.061
  198   2HB   SER  25          HB1       SER  25  11.484   1.563  -4.622
  199    HG   SER  25           HG       SER  25  13.166   2.947  -5.221
  200    H    GLN  26           HN       GLN  26  12.086   1.618  -8.604
  201    HA   GLN  26           HA       GLN  26   9.459   2.016  -9.627
  202   1HB   GLN  26          HB2       GLN  26  12.004   1.849 -11.261
  203   2HB   GLN  26          HB1       GLN  26  10.539   2.761 -11.631
  204   1HG   GLN  26          HG2       GLN  26  11.563   3.498  -9.025
  205   2HG   GLN  26          HG1       GLN  26  12.809   3.696 -10.256
  206   1HE2  GLN  26          HE21      GLN  26  10.894   5.674  -8.743
  207   2HE2  GLN  26          HE22      GLN  26  10.282   6.637 -10.000
  208    H    HIS  27           HN       HIS  27  11.782  -0.516  -9.669
  209    HA   HIS  27           HA       HIS  27  10.746  -2.098 -11.809
  210   1HB   HIS  27          HB2       HIS  27  13.022  -2.144 -10.384
  211   2HB   HIS  27          HB1       HIS  27  12.113  -3.340  -9.466
  212    HD1  HIS  27           HD1      HIS  27  10.537  -4.468 -12.018
  213    HD2  HIS  27           HD2      HIS  27  14.666  -4.009 -11.667
  214    HE1  HIS  27           HE1      HIS  27  11.578  -6.079 -13.675
  215    H    ILE  28           HN       ILE  28  10.582  -2.377  -8.275
  216    HA   ILE  28           HA       ILE  28   8.630  -4.422  -8.196
  217    HB   ILE  28           HB       ILE  28   9.506  -2.346  -6.177
  218   1HG1  ILE  28          HG12      ILE  28   9.954  -5.344  -6.290
  219   2HG1  ILE  28          HG11      ILE  28  11.105  -4.160  -6.911
  220   1HG2  ILE  28          HG21      ILE  28   7.271  -4.288  -6.140
  221   2HG2  ILE  28          HG22      ILE  28   7.513  -2.832  -5.174
  222   3HG2  ILE  28          HG23      ILE  28   8.323  -4.334  -4.725
  223   1HD1  ILE  28          HD11      ILE  28  10.151  -4.455  -4.051
  224   2HD1  ILE  28          HD12      ILE  28  11.108  -3.089  -4.625
  225   3HD1  ILE  28          HD13      ILE  28  11.784  -4.717  -4.662
  226    H    VAL  29           HN       VAL  29   8.475  -0.927  -8.402
  227    HA   VAL  29           HA       VAL  29   5.808  -0.488  -7.683
  228    HB   VAL  29           HB       VAL  29   7.589   0.907  -9.687
  229   1HG1  VAL  29          HG11      VAL  29   5.828   2.774  -9.366
  230   2HG1  VAL  29          HG12      VAL  29   4.759   1.486  -8.809
  231   3HG1  VAL  29          HG13      VAL  29   5.413   1.443 -10.447
  232   1HG2  VAL  29          HG21      VAL  29   7.628   0.853  -6.927
  233   2HG2  VAL  29          HG22      VAL  29   6.653   2.284  -7.261
  234   3HG2  VAL  29          HG23      VAL  29   8.284   2.154  -7.920
  235    H    GLN  30           HN       GLN  30   7.227  -1.275 -10.840
  236    HA   GLN  30           HA       GLN  30   4.845  -1.300 -12.335
  237   1HB   GLN  30          HB2       GLN  30   7.399  -2.893 -12.659
  238   2HB   GLN  30          HB1       GLN  30   6.095  -2.877 -13.848
  239   1HG   GLN  30          HG2       GLN  30   7.821  -0.572 -12.947
  240   2HG   GLN  30          HG1       GLN  30   7.629  -1.213 -14.578
  241   1HE2  GLN  30          HE21      GLN  30   6.698   0.597 -15.634
  242   2HE2  GLN  30          HE22      GLN  30   5.235   1.311 -15.154
  243    H    ARG  31           HN       ARG  31   6.487  -3.782 -10.435
  244    HA   ARG  31           HA       ARG  31   4.723  -5.919 -11.032
  245   1HB   ARG  31          HB2       ARG  31   6.475  -5.365  -8.628
  246   2HB   ARG  31          HB1       ARG  31   5.575  -6.866  -8.848
  247   1HG   ARG  31          HG2       ARG  31   6.717  -7.101 -11.098
  248   2HG   ARG  31          HG1       ARG  31   7.756  -5.754 -10.627
  249   1HD   ARG  31          HD2       ARG  31   8.150  -7.169  -8.458
  250   2HD   ARG  31          HD1       ARG  31   7.584  -8.511  -9.448
  251    HE   ARG  31           HE       ARG  31   9.737  -6.851 -10.546
  252   1HH1  ARG  31          HH21      ARG  31   9.616  -9.129  -8.116
  253   2HH1  ARG  31          HH22      ARG  31  10.639 -10.295  -8.886
  254   1HH2  ARG  31          HH11      ARG  31  10.674  -8.645 -11.933
  255   2HH2  ARG  31          HH12      ARG  31  11.238 -10.021 -11.046
  256    H    VAL  32           HN       VAL  32   4.766  -3.482  -8.464
  257    HA   VAL  32           HA       VAL  32   2.493  -4.406  -7.055
  258    HB   VAL  32           HB       VAL  32   3.713  -1.643  -7.294
  259   1HG1  VAL  32          HG11      VAL  32   2.307  -1.905  -4.874
  260   2HG1  VAL  32          HG12      VAL  32   1.216  -2.524  -6.113
  261   3HG1  VAL  32          HG13      VAL  32   1.868  -0.891  -6.248
  262   1HG2  VAL  32          HG21      VAL  32   5.141  -3.415  -6.287
  263   2HG2  VAL  32          HG22      VAL  32   3.865  -3.754  -5.118
  264   3HG2  VAL  32          HG23      VAL  32   4.679  -2.189  -5.106
  265    H    LYS  33           HN       LYS  33   2.874  -1.840  -9.492
  266    HA   LYS  33           HA       LYS  33   0.152  -1.161  -9.717
  267   1HB   LYS  33          HB2       LYS  33   2.488  -0.912 -11.613
  268   2HB   LYS  33          HB1       LYS  33   0.884  -0.286 -11.988
  269   1HG   LYS  33          HG2       LYS  33   0.983   0.968  -9.776
  270   2HG   LYS  33          HG1       LYS  33   2.688   0.522  -9.700
  271   1HD   LYS  33          HD2       LYS  33   2.919   1.539 -12.031
  272   2HD   LYS  33          HD1       LYS  33   1.310   2.218 -11.788
  273   1HE   LYS  33          HE2       LYS  33   2.785   2.768  -9.430
  274   2HE   LYS  33          HE1       LYS  33   3.830   3.182 -10.789
  275   1HZ   LYS  33          HZ1       LYS  33   2.431   4.796 -11.499
  276   2HZ   LYS  33          HZ2       LYS  33   2.031   4.845  -9.848
  277   3HZ   LYS  33          HZ3       LYS  33   1.035   4.009 -10.942
  278    H    ASN  34           HN       ASN  34   2.156  -3.515 -11.450
  279    HA   ASN  34           HA       ASN  34   0.244  -4.274 -13.378
  280   1HB   ASN  34          HB2       ASN  34   2.581  -5.776 -12.187
  281   2HB   ASN  34          HB1       ASN  34   1.660  -6.320 -13.584
  282   1HD2  ASN  34          HD21      ASN  34   4.538  -4.999 -13.020
  283   2HD2  ASN  34          HD22      ASN  34   4.668  -3.912 -14.318
  284    H    ILE  35           HN       ILE  35   1.038  -5.628 -10.189
  285    HA   ILE  35           HA       ILE  35  -0.816  -7.782 -10.331
  286    HB   ILE  35           HB       ILE  35   0.393  -6.405  -7.930
  287   1HG1  ILE  35          HG12      ILE  35   1.201  -8.972  -9.327
  288   2HG1  ILE  35          HG11      ILE  35   1.990  -7.419  -9.602
  289   1HG2  ILE  35          HG21      ILE  35  -0.861  -9.154  -8.167
  290   2HG2  ILE  35          HG22      ILE  35  -1.672  -7.753  -7.466
  291   3HG2  ILE  35          HG23      ILE  35  -0.223  -8.408  -6.701
  292   1HD1  ILE  35          HD11      ILE  35   2.395  -7.301  -7.101
  293   2HD1  ILE  35          HD12      ILE  35   3.288  -8.570  -7.939
  294   3HD1  ILE  35          HD13      ILE  35   1.845  -8.974  -7.010
  295    H    LEU  36           HN       LEU  36  -0.958  -4.622  -8.673
  296    HA   LEU  36           HA       LEU  36  -3.540  -4.889  -7.619
  297   1HB   LEU  36          HB2       LEU  36  -2.062  -2.410  -8.534
  298   2HB   LEU  36          HB1       LEU  36  -3.555  -2.390  -7.595
  299    HG   LEU  36           HG       LEU  36  -0.942  -3.674  -6.745
  300   1HD1  LEU  36          HD11      LEU  36  -2.042  -1.629  -5.009
  301   2HD1  LEU  36          HD12      LEU  36  -1.791  -0.994  -6.635
  302   3HD1  LEU  36          HD13      LEU  36  -0.445  -1.713  -5.752
  303   1HD2  LEU  36          HD21      LEU  36  -3.736  -3.737  -5.686
  304   2HD2  LEU  36          HD22      LEU  36  -2.423  -3.624  -4.513
  305   3HD2  LEU  36          HD23      LEU  36  -2.489  -4.984  -5.634
  306    H    ALA  37           HN       ALA  37  -2.448  -3.543 -10.718
  307    HA   ALA  37           HA       ALA  37  -5.051  -2.890 -11.665
  308   1HB   ALA  37          HB1       ALA  37  -3.307  -1.767 -12.768
  309   2HB   ALA  37          HB2       ALA  37  -3.810  -2.984 -13.940
  310   3HB   ALA  37          HB3       ALA  37  -2.361  -3.242 -12.969
  311    H    ALA  38           HN       ALA  38  -3.532  -5.822 -11.091
  312    HA   ALA  38           HA       ALA  38  -4.757  -7.258 -13.298
  313   1HB   ALA  38          HB1       ALA  38  -3.879  -9.222 -11.686
  314   2HB   ALA  38          HB2       ALA  38  -2.868  -7.900 -11.101
  315   3HB   ALA  38          HB3       ALA  38  -2.820  -8.361 -12.803
  316    H    VAL  39           HN       VAL  39  -5.531  -6.383 -10.051
  317    HA   VAL  39           HA       VAL  39  -7.613  -8.436  -9.842
  318    HB   VAL  39           HB       VAL  39  -6.147  -7.904  -7.886
  319   1HG1  VAL  39          HG11      VAL  39  -6.154  -5.814  -6.866
  320   2HG1  VAL  39          HG12      VAL  39  -7.738  -5.389  -7.515
  321   3HG1  VAL  39          HG13      VAL  39  -6.316  -5.348  -8.559
  322   1HG2  VAL  39          HG21      VAL  39  -8.983  -8.207  -8.014
  323   2HG2  VAL  39          HG22      VAL  39  -8.624  -7.088  -6.699
  324   3HG2  VAL  39          HG23      VAL  39  -7.898  -8.695  -6.712
  325    H    GLU  40           HN       GLU  40  -7.240  -5.207 -10.857
  326    HA   GLU  40           HA       GLU  40  -8.752  -3.445 -11.101
  327   1HB   GLU  40          HB2       GLU  40  -9.996  -5.885 -12.355
  328   2HB   GLU  40          HB1       GLU  40 -10.763  -4.300 -12.470
  329   1HG   GLU  40          HG2       GLU  40  -8.493  -3.440 -13.304
  330   2HG   GLU  40          HG1       GLU  40  -8.049  -5.135 -13.501
  331    H    ALA  41           HN       ALA  41 -11.569  -5.337 -11.118
  332    HA   ALA  41           HA       ALA  41 -13.240  -5.724  -9.548
  333   1HB   ALA  41          HB1       ALA  41 -12.803  -4.854  -7.162
  334   2HB   ALA  41          HB2       ALA  41 -11.159  -4.542  -7.720
  335   3HB   ALA  41          HB3       ALA  41 -11.801  -6.185  -7.741
  336    H    THR  42           HN       THR  42 -14.793  -4.353  -8.215
  337    HA   THR  42           HA       THR  42 -15.332  -1.934  -9.680
  338    HB   THR  42           HB       THR  42 -17.333  -1.795  -8.261
  339    HG1  THR  42           HG1      THR  42 -15.932  -2.882  -6.485
  340   1HG2  THR  42          HG21      THR  42 -18.233  -3.313  -9.649
  341   2HG2  THR  42          HG22      THR  42 -17.566  -4.621  -8.672
  342   3HG2  THR  42          HG23      THR  42 -16.619  -3.936  -9.993
  343    H    VAL  43           HN       VAL  43 -13.241  -2.577  -7.229
  344    HA   VAL  43           HA       VAL  43 -13.420   0.176  -6.192
  345    HB   VAL  43           HB       VAL  43 -12.341  -0.928  -4.103
  346   1HG1  VAL  43          HG11      VAL  43 -14.594   0.091  -4.163
  347   2HG1  VAL  43          HG12      VAL  43 -14.585  -1.370  -3.175
  348   3HG1  VAL  43          HG13      VAL  43 -15.250  -1.414  -4.808
  349   1HG2  VAL  43          HG21      VAL  43 -13.749  -3.296  -5.364
  350   2HG2  VAL  43          HG22      VAL  43 -13.025  -3.260  -3.756
  351   3HG2  VAL  43          HG23      VAL  43 -12.001  -3.132  -5.187
  352    HA   PRO  44           HA       PRO  44  -9.321  -0.471  -8.184
  353   1HB   PRO  44          HB2       PRO  44  -9.289   2.357  -8.703
  354   2HB   PRO  44          HB1       PRO  44  -9.420   1.030  -9.864
  355   1HG   PRO  44          HG2       PRO  44 -11.425   2.854  -9.112
  356   2HG   PRO  44          HG1       PRO  44 -11.592   1.434 -10.149
  357   1HD   PRO  44          HD2       PRO  44 -12.528   1.810  -7.417
  358   2HD   PRO  44          HD1       PRO  44 -12.883   0.487  -8.545
  359    H    ILE  45           HN       ILE  45  -7.277   0.053  -7.397
  360    HA   ILE  45           HA       ILE  45  -7.264   1.377  -4.774
  361    HB   ILE  45           HB       ILE  45  -5.106  -0.278  -6.104
  362   1HG1  ILE  45          HG12      ILE  45  -6.052  -1.771  -4.031
  363   2HG1  ILE  45          HG11      ILE  45  -7.535  -0.973  -4.554
  364   1HG2  ILE  45          HG21      ILE  45  -4.466  -0.463  -3.579
  365   2HG2  ILE  45          HG22      ILE  45  -5.454   0.986  -3.392
  366   3HG2  ILE  45          HG23      ILE  45  -4.043   1.011  -4.451
  367   1HD1  ILE  45          HD11      ILE  45  -7.334  -1.831  -6.772
  368   2HD1  ILE  45          HD12      ILE  45  -6.996  -3.194  -5.704
  369   3HD1  ILE  45          HD13      ILE  45  -5.669  -2.345  -6.497
  370    H    SER  46           HN       SER  46  -5.832   3.033  -4.267
  371    HA   SER  46           HA       SER  46  -4.791   4.510  -6.597
  372   1HB   SER  46          HB2       SER  46  -6.386   5.744  -5.194
  373   2HB   SER  46          HB1       SER  46  -5.378   5.456  -3.779
  374    HG   SER  46           HG       SER  46  -5.197   7.426  -5.499
  375    H    LEU  47           HN       LEU  47  -2.702   4.122  -6.972
  376    HA   LEU  47           HA       LEU  47  -0.931   3.431  -4.742
  377   1HB   LEU  47          HB2       LEU  47  -1.108   2.266  -7.121
  378   2HB   LEU  47          HB1       LEU  47   0.020   3.546  -7.568
  379    HG   LEU  47           HG       LEU  47   0.382   1.300  -5.612
  380   1HD1  LEU  47          HD11      LEU  47   2.789   1.908  -6.795
  381   2HD1  LEU  47          HD12      LEU  47   1.641   2.365  -8.054
  382   3HD1  LEU  47          HD13      LEU  47   1.640   0.721  -7.414
  383   1HD2  LEU  47          HD21      LEU  47   1.694   4.029  -5.502
  384   2HD2  LEU  47          HD22      LEU  47   2.394   2.597  -4.746
  385   3HD2  LEU  47          HD23      LEU  47   0.827   3.202  -4.208
  386    H    GLN  48           HN       GLN  48   0.196   4.965  -3.776
  387    HA   GLN  48           HA       GLN  48   1.122   7.271  -5.371
  388   1HB   GLN  48          HB2       GLN  48  -0.395   7.181  -2.829
  389   2HB   GLN  48          HB1       GLN  48   0.947   8.322  -2.885
  390   1HG   GLN  48          HG2       GLN  48  -0.011   9.070  -5.154
  391   2HG   GLN  48          HG1       GLN  48  -1.466   8.187  -4.693
  392   1HE2  GLN  48          HE21      GLN  48  -1.108  11.154  -5.008
  393   2HE2  GLN  48          HE22      GLN  48  -1.540  11.820  -3.508
  394    H    VAL  49           HN       VAL  49   3.268   7.553  -5.309
  395    HA   VAL  49           HA       VAL  49   4.832   5.902  -3.470
  396    HB   VAL  49           HB       VAL  49   5.837   7.659  -5.712
  397   1HG1  VAL  49          HG11      VAL  49   7.441   5.383  -5.301
  398   2HG1  VAL  49          HG12      VAL  49   7.063   5.988  -3.688
  399   3HG1  VAL  49          HG13      VAL  49   7.834   7.048  -4.868
  400   1HG2  VAL  49          HG21      VAL  49   5.448   5.966  -7.223
  401   2HG2  VAL  49          HG22      VAL  49   4.116   5.621  -6.120
  402   3HG2  VAL  49          HG23      VAL  49   5.617   4.701  -6.005
  403    H    ILE  50           HN       ILE  50   6.210   6.660  -1.963
  404    HA   ILE  50           HA       ILE  50   6.228   9.579  -1.501
  405    HB   ILE  50           HB       ILE  50   6.451   7.416   0.605
  406   1HG1  ILE  50          HG12      ILE  50   4.089   9.001  -0.421
  407   2HG1  ILE  50          HG11      ILE  50   4.227   7.253  -0.240
  408   1HG2  ILE  50          HG21      ILE  50   7.395   9.313   1.555
  409   2HG2  ILE  50          HG22      ILE  50   5.695   9.580   1.944
  410   3HG2  ILE  50          HG23      ILE  50   6.428  10.412   0.572
  411   1HD1  ILE  50          HD11      ILE  50   3.549   9.302   1.771
  412   2HD1  ILE  50          HD12      ILE  50   4.721   8.104   2.319
  413   3HD1  ILE  50          HD13      ILE  50   3.141   7.586   1.731
  414    H    ASN  51           HN       ASN  51   8.190  10.449  -1.729
  415    HA   ASN  51           HA       ASN  51  10.504   8.757  -2.031
  416   1HB   ASN  51          HB2       ASN  51   9.951  11.694  -2.278
  417   2HB   ASN  51          HB1       ASN  51  11.617  11.128  -2.172
  418   1HD2  ASN  51          HD21      ASN  51  12.536  10.641  -4.163
  419   2HD2  ASN  51          HD22      ASN  51  11.670  10.175  -5.547
  420    H    VAL  52           HN       VAL  52  11.249   7.870  -0.180
  421    HA   VAL  52           HA       VAL  52  11.072   8.912   2.399
  422    HB   VAL  52           HB       VAL  52  12.838   7.323   2.991
  423   1HG1  VAL  52          HG11      VAL  52  10.429   6.724   1.558
  424   2HG1  VAL  52          HG12      VAL  52  11.222   5.768   2.811
  425   3HG1  VAL  52          HG13      VAL  52  11.651   5.531   1.116
  426   1HG2  VAL  52          HG21      VAL  52  14.314   7.809   1.044
  427   2HG2  VAL  52          HG22      VAL  52  13.165   6.982  -0.009
  428   3HG2  VAL  52          HG23      VAL  52  14.025   6.080   1.240
  429    H    ALA  53           HN       ALA  53  13.344   9.622  -0.157
  430    HA   ALA  53           HA       ALA  53  15.278  10.918   1.524
  431   1HB   ALA  53          HB1       ALA  53  15.318  11.830  -1.220
  432   2HB   ALA  53          HB2       ALA  53  15.163  10.075  -1.151
  433   3HB   ALA  53          HB3       ALA  53  16.514  10.873  -0.347
  434    H    ASP  54           HN       ASP  54  12.214  11.754   0.351
  435    HA   ASP  54           HA       ASP  54  12.780  14.628   0.456
  436   1HB   ASP  54          HB2       ASP  54  10.399  13.051  -0.515
  437   2HB   ASP  54          HB1       ASP  54  10.392  14.808  -0.369
  438    H    GLN  55           HN       GLN  55  11.070  12.082   2.148
  439    HA   GLN  55           HA       GLN  55  10.636  13.907   4.387
  440   1HB   GLN  55          HB2       GLN  55   8.281  13.440   4.588
  441   2HB   GLN  55          HB1       GLN  55   8.584  14.041   2.957
  442   1HG   GLN  55          HG2       GLN  55   8.960  11.227   2.888
  443   2HG   GLN  55          HG1       GLN  55   7.450  11.525   3.747
  444   1HE2  GLN  55          HE21      GLN  55   8.963  11.540   0.624
  445   2HE2  GLN  55          HE22      GLN  55   7.637  12.145  -0.245
  446    HA   PRO  56           HA       PRO  56  11.836   9.616   5.628
  447   1HB   PRO  56          HB2       PRO  56  13.874  10.809   7.269
  448   2HB   PRO  56          HB1       PRO  56  14.085   9.780   5.843
  449   1HG   PRO  56          HG2       PRO  56  14.720  12.463   6.002
  450   2HG   PRO  56          HG1       PRO  56  14.480  11.549   4.506
  451   1HD   PRO  56          HD2       PRO  56  12.645  13.471   5.851
  452   2HD   PRO  56          HD1       PRO  56  12.798  13.069   4.125
  453    H    GLN  57           HN       GLN  57  10.626  12.375   7.030
  454    HA   GLN  57           HA       GLN  57  10.763  11.702   9.801
  455   1HB   GLN  57          HB2       GLN  57  10.447  14.006   9.143
  456   2HB   GLN  57          HB1       GLN  57   8.964  13.598   8.281
  457   1HG   GLN  57          HG2       GLN  57   7.920  12.889  10.394
  458   2HG   GLN  57          HG1       GLN  57   9.404  13.276  11.263
  459   1HE2  GLN  57          HE21      GLN  57   6.935  14.583  11.897
  460   2HE2  GLN  57          HE22      GLN  57   7.069  16.217  11.456
  461    H    LEU  58           HN       LEU  58   8.213  11.329   7.309
  462    HA   LEU  58           HA       LEU  58   6.390  10.112   9.161
  463   1HB   LEU  58          HB2       LEU  58   5.069   9.598   7.144
  464   2HB   LEU  58          HB1       LEU  58   5.561  11.288   7.181
  465    HG   LEU  58           HG       LEU  58   7.424  10.797   5.667
  466   1HD1  LEU  58          HD11      LEU  58   8.045   8.673   5.035
  467   2HD1  LEU  58          HD12      LEU  58   6.401   8.043   5.156
  468   3HD1  LEU  58          HD13      LEU  58   7.360   8.290   6.613
  469   1HD2  LEU  58          HD21      LEU  58   6.111  10.311   3.661
  470   2HD2  LEU  58          HD22      LEU  58   5.168  11.339   4.739
  471   3HD2  LEU  58          HD23      LEU  58   4.824   9.612   4.643
  472    H    VAL  59           HN       VAL  59   9.018   9.057   7.178
  473    HA   VAL  59           HA       VAL  59   8.340   6.306   6.933
  474    HB   VAL  59           HB       VAL  59  11.055   7.653   6.993
  475   1HG1  VAL  59          HG11      VAL  59  10.580   4.988   7.319
  476   2HG1  VAL  59          HG12      VAL  59  12.012   5.635   6.518
  477   3HG1  VAL  59          HG13      VAL  59  10.633   5.097   5.559
  478   1HG2  VAL  59          HG21      VAL  59   8.918   7.536   5.038
  479   2HG2  VAL  59          HG22      VAL  59  10.363   6.738   4.417
  480   3HG2  VAL  59          HG23      VAL  59  10.446   8.414   4.958
  481    H    GLU  60           HN       GLU  60  10.195   8.170   9.312
  482    HA   GLU  60           HA       GLU  60  10.859   5.926  10.952
  483   1HB   GLU  60          HB2       GLU  60  10.775   8.902  11.501
  484   2HB   GLU  60          HB1       GLU  60  11.330   7.712  12.679
  485   1HG   GLU  60          HG2       GLU  60  13.013   6.911  11.018
  486   2HG   GLU  60          HG1       GLU  60  12.506   8.200   9.928
  487    H    TYR  61           HN       TYR  61   8.185   8.193  10.761
  488    HA   TYR  61           HA       TYR  61   6.916   7.701  13.202
  489   1HB   TYR  61          HB2       TYR  61   6.199   9.451  11.605
  490   2HB   TYR  61          HB1       TYR  61   5.625   8.198  10.506
  491    HD1  TYR  61           HD1      TYR  61   5.171   9.620  13.921
  492    HD2  TYR  61           HD2      TYR  61   3.506   7.169  10.811
  493    HE1  TYR  61           HE1      TYR  61   3.015   9.534  15.142
  494    HE2  TYR  61           HE2      TYR  61   1.350   7.082  12.034
  495    HH   TYR  61           HH       TYR  61   0.454   9.131  14.321
  496    H    TYR  62           HN       TYR  62   6.672   6.012  10.098
  497    HA   TYR  62           HA       TYR  62   4.963   3.940  11.213
  498   1HB   TYR  62          HB2       TYR  62   6.276   4.235   8.497
  499   2HB   TYR  62          HB1       TYR  62   5.119   2.986   8.935
  500    HD1  TYR  62           HD1      TYR  62   5.487   6.175   7.495
  501    HD2  TYR  62           HD2      TYR  62   2.854   3.896  10.010
  502    HE1  TYR  62           HE1      TYR  62   3.627   7.712   6.935
  503    HE2  TYR  62           HE2      TYR  62   0.991   5.434   9.451
  504    HH   TYR  62           HH       TYR  62   1.228   7.766   6.919
  505    H    ARG  63           HN       ARG  63   7.888   4.553  11.996
  506    HA   ARG  63           HA       ARG  63   9.786   3.376  12.541
  507   1HB   ARG  63          HB2       ARG  63   7.927   0.999  12.335
  508   2HB   ARG  63          HB1       ARG  63   9.437   1.080  13.248
  509   1HG   ARG  63          HG2       ARG  63   8.176   3.224  14.290
  510   2HG   ARG  63          HG1       ARG  63   6.772   2.241  13.877
  511   1HD   ARG  63          HD2       ARG  63   8.433   0.384  15.025
  512   2HD   ARG  63          HD1       ARG  63   8.803   1.829  15.964
  513    HE   ARG  63           HE       ARG  63   6.028   1.686  15.785
  514   1HH1  ARG  63          HH11      ARG  63   7.086  -1.284  16.069
  515   2HH1  ARG  63          HH12      ARG  63   6.856  -1.504  17.771
  516   1HH2  ARG  63          HH21      ARG  63   6.400   1.872  18.414
  517   2HH2  ARG  63          HH22      ARG  63   6.462   0.281  19.098
  518    H    LEU  64           HN       LEU  64   8.351   3.347   9.692
  519    HA   LEU  64           HA       LEU  64   9.448   1.256   8.182
  520   1HB   LEU  64          HB2       LEU  64   7.656   3.033   7.583
  521   2HB   LEU  64          HB1       LEU  64   9.027   4.035   7.113
  522    HG   LEU  64           HG       LEU  64   8.106   2.744   5.208
  523   1HD1  LEU  64          HD11      LEU  64  10.188   2.587   4.338
  524   2HD1  LEU  64          HD12      LEU  64  10.691   1.399   5.541
  525   3HD1  LEU  64          HD13      LEU  64  10.744   3.120   5.924
  526   1HD2  LEU  64          HD21      LEU  64   8.204   0.355   5.161
  527   2HD2  LEU  64          HD22      LEU  64   7.460   0.776   6.703
  528   3HD2  LEU  64          HD23      LEU  64   9.157   0.297   6.644
  529    H    VAL  65           HN       VAL  65  11.607   0.837   8.445
  530    HA   VAL  65           HA       VAL  65  13.473   3.070   7.917
  531    HB   VAL  65           HB       VAL  65  14.324   0.540   9.277
  532   1HG1  VAL  65          HG11      VAL  65  16.161   1.772   9.847
  533   2HG1  VAL  65          HG12      VAL  65  15.216   3.235  10.126
  534   3HG1  VAL  65          HG13      VAL  65  15.662   2.774   8.483
  535   1HG2  VAL  65          HG21      VAL  65  13.585   1.294  11.400
  536   2HG2  VAL  65          HG22      VAL  65  12.191   1.539  10.347
  537   3HG2  VAL  65          HG23      VAL  65  13.213   2.907  10.791
  538    H    VAL  66           HN       VAL  66  12.222   0.199   6.628
  539    HA   VAL  66           HA       VAL  66  14.669  -0.307   5.074
  540    HB   VAL  66           HB       VAL  66  13.533  -2.430   4.460
  541   1HG1  VAL  66          HG11      VAL  66  13.517  -2.195   7.452
  542   2HG1  VAL  66          HG12      VAL  66  15.025  -1.977   6.563
  543   3HG1  VAL  66          HG13      VAL  66  14.144  -3.501   6.445
  544   1HG2  VAL  66          HG21      VAL  66  11.227  -1.250   5.087
  545   2HG2  VAL  66          HG22      VAL  66  11.566  -1.979   6.658
  546   3HG2  VAL  66          HG23      VAL  66  11.430  -2.998   5.222
  547    H    THR  67           HN       THR  67  14.669  -0.324   2.860
  548    HA   THR  67           HA       THR  67  12.205   0.383   1.436
  549    HB   THR  67           HB       THR  67  13.473   2.128   0.144
  550    HG1  THR  67           HG1      THR  67  15.287   1.894   2.309
  551   1HG2  THR  67          HG21      THR  67  12.834   2.351   3.067
  552   2HG2  THR  67          HG22      THR  67  12.003   3.067   1.685
  553   3HG2  THR  67          HG23      THR  67  13.543   3.733   2.231
  554    HA   PRO  68           HA       PRO  68  11.778   0.928  -0.663
  555   1HB   PRO  68          HB2       PRO  68  10.442  -1.029  -2.294
  556   2HB   PRO  68          HB1       PRO  68  11.189   0.492  -2.802
  557   1HG   PRO  68          HG2       PRO  68  12.097  -2.065  -3.397
  558   2HG   PRO  68          HG1       PRO  68  13.008  -0.560  -3.581
  559   1HD   PRO  68          HD2       PRO  68  13.249  -2.656  -1.500
  560   2HD   PRO  68          HD1       PRO  68  14.451  -1.470  -2.055
  561    H    ALA  69           HN       ALA  69   9.408   0.706  -0.261
  562    HA   ALA  69           HA       ALA  69   8.517  -1.689   1.114
  563   1HB   ALA  69          HB1       ALA  69   9.698  -0.567   2.922
  564   2HB   ALA  69          HB2       ALA  69   7.960  -0.466   3.205
  565   3HB   ALA  69          HB3       ALA  69   8.837   0.936   2.590
  566    H    LEU  70           HN       LEU  70   6.254  -1.656   1.557
  567    HA   LEU  70           HA       LEU  70   4.746   0.509   0.230
  568   1HB   LEU  70          HB2       LEU  70   4.922  -1.727  -1.060
  569   2HB   LEU  70          HB1       LEU  70   3.860  -2.373   0.192
  570    HG   LEU  70           HG       LEU  70   3.162   0.174  -1.262
  571   1HD1  LEU  70          HD11      LEU  70   3.521  -2.254  -2.566
  572   2HD1  LEU  70          HD12      LEU  70   2.516  -0.920  -3.133
  573   3HD1  LEU  70          HD13      LEU  70   1.795  -2.235  -2.205
  574   1HD2  LEU  70          HD21      LEU  70   0.998  -0.226  -0.426
  575   2HD2  LEU  70          HD22      LEU  70   2.033  -0.751   0.902
  576   3HD2  LEU  70          HD23      LEU  70   1.311  -1.944  -0.178
  577    H    VAL  71           HN       VAL  71   2.856   1.144   1.276
  578    HA   VAL  71           HA       VAL  71   2.108  -0.339   3.704
  579    HB   VAL  71           HB       VAL  71   2.561   2.648   3.672
  580   1HG1  VAL  71          HG11      VAL  71   1.988   0.671   5.901
  581   2HG1  VAL  71          HG12      VAL  71   0.855   1.864   5.265
  582   3HG1  VAL  71          HG13      VAL  71   2.305   2.392   6.119
  583   1HG2  VAL  71          HG21      VAL  71   4.296   0.328   4.511
  584   2HG2  VAL  71          HG22      VAL  71   4.454   1.898   5.300
  585   3HG2  VAL  71          HG23      VAL  71   4.738   1.750   3.565
  586    H    LYS  72           HN       LYS  72   0.015  -0.711   3.700
  587    HA   LYS  72           HA       LYS  72  -1.782   0.913   2.056
  588   1HB   LYS  72          HB2       LYS  72  -1.918  -1.577   1.994
  589   2HB   LYS  72          HB1       LYS  72  -2.364  -1.566   3.700
  590   1HG   LYS  72          HG2       LYS  72  -4.059   0.310   2.434
  591   2HG   LYS  72          HG1       LYS  72  -4.041  -1.117   1.397
  592   1HD   LYS  72          HD2       LYS  72  -4.189  -2.150   3.989
  593   2HD   LYS  72          HD1       LYS  72  -5.275  -0.760   4.009
  594   1HE   LYS  72          HE2       LYS  72  -6.169  -1.700   1.759
  595   2HE   LYS  72          HE1       LYS  72  -5.379  -3.201   2.244
  596   1HZ   LYS  72          HZ1       LYS  72  -7.733  -1.909   3.337
  597   2HZ   LYS  72          HZ2       LYS  72  -6.660  -2.553   4.486
  598   3HZ   LYS  72          HZ3       LYS  72  -7.322  -3.554   3.284
  599    H    ILE  73           HN       ILE  73  -3.075   2.452   2.898
  600    HA   ILE  73           HA       ILE  73  -3.081   2.754   5.824
  601    HB   ILE  73           HB       ILE  73  -4.168   5.048   5.004
  602   1HG1  ILE  73          HG12      ILE  73  -3.965   3.981   2.590
  603   2HG1  ILE  73          HG11      ILE  73  -3.604   5.690   2.836
  604   1HG2  ILE  73          HG21      ILE  73  -1.977   6.013   5.180
  605   2HG2  ILE  73          HG22      ILE  73  -1.208   4.513   4.660
  606   3HG2  ILE  73          HG23      ILE  73  -1.988   4.603   6.240
  607   1HD1  ILE  73          HD11      ILE  73  -1.836   3.557   1.975
  608   2HD1  ILE  73          HD12      ILE  73  -1.207   4.348   3.420
  609   3HD1  ILE  73          HD13      ILE  73  -1.558   5.299   1.976
  610    H    GLY  74           HN       GLY  74  -5.173   2.022   3.154
  611   1HA   GLY  74          HA2       GLY  74  -7.239   0.910   4.441
  612   2HA   GLY  74          HA1       GLY  74  -7.591   2.618   4.670
  613    HA   PRO  75           HA       PRO  75  -9.699   2.429   4.511
  614   1HB   PRO  75          HB2       PRO  75 -11.768   0.649   3.598
  615   2HB   PRO  75          HB1       PRO  75 -11.852   2.399   3.840
  616   1HG   PRO  75          HG2       PRO  75 -11.851   1.009   1.397
  617   2HG   PRO  75          HG1       PRO  75 -11.762   2.756   1.642
  618   1HD   PRO  75          HD2       PRO  75  -9.657   0.924   0.798
  619   2HD   PRO  75          HD1       PRO  75  -9.653   2.699   0.810
  620    H    GLY  76           HN       GLY  76 -10.559   0.833   6.147
  621   1HA   GLY  76          HA2       GLY  76 -10.590  -1.324   7.125
  622   2HA   GLY  76          HA1       GLY  76  -9.512  -1.892   5.853
  623    H    SER  77           HN       SER  77  -8.346  -2.836   7.745
  624    HA   SER  77           HA       SER  77  -7.013  -1.113   9.599
  625   1HB   SER  77          HB2       SER  77  -7.252  -3.289  10.392
  626   2HB   SER  77          HB1       SER  77  -6.772  -4.012   8.859
  627    HG   SER  77           HG       SER  77  -4.854  -4.079   9.705
  628    H    ARG  78           HN       ARG  78  -4.661  -0.938   9.775
  629    HA   ARG  78           HA       ARG  78  -3.498  -0.270   7.173
  630   1HB   ARG  78          HB2       ARG  78  -3.455   1.243   9.271
  631   2HB   ARG  78          HB1       ARG  78  -2.180   0.167   9.843
  632   1HG   ARG  78          HG2       ARG  78  -1.117   0.560   7.496
  633   2HG   ARG  78          HG1       ARG  78  -2.183   1.964   7.427
  634   1HD   ARG  78          HD2       ARG  78   0.301   2.000   8.546
  635   2HD   ARG  78          HD1       ARG  78  -0.996   3.104   8.995
  636    HE   ARG  78           HE       ARG  78  -1.366   0.873  10.578
  637   1HH1  ARG  78          HH11      ARG  78   1.566   2.457   9.804
  638   2HH1  ARG  78          HH12      ARG  78   2.078   2.651  11.447
  639   1HH2  ARG  78          HH21      ARG  78  -0.868   1.421  12.793
  640   2HH2  ARG  78          HH22      ARG  78   0.703   2.064  13.136
  641    H    GLN  79           HN       GLN  79  -1.462  -1.034   6.493
  642    HA   GLN  79           HA       GLN  79  -0.238  -3.235   7.978
  643   1HB   GLN  79          HB2       GLN  79  -1.157  -3.580   5.113
  644   2HB   GLN  79          HB1       GLN  79  -0.328  -4.779   6.107
  645   1HG   GLN  79          HG2       GLN  79  -2.275  -4.566   7.747
  646   2HG   GLN  79          HG1       GLN  79  -3.116  -3.669   6.484
  647   1HE2  GLN  79          HE21      GLN  79  -1.378  -6.801   6.940
  648   2HE2  GLN  79          HE22      GLN  79  -2.385  -7.673   5.888
  649    H    VAL  80           HN       VAL  80   1.916  -3.685   7.302
  650    HA   VAL  80           HA       VAL  80   3.055  -1.664   5.468
  651    HB   VAL  80           HB       VAL  80   4.286  -2.702   8.032
  652   1HG1  VAL  80          HG11      VAL  80   5.289  -1.113   5.721
  653   2HG1  VAL  80          HG12      VAL  80   6.162  -2.198   6.803
  654   3HG1  VAL  80          HG13      VAL  80   5.764  -0.562   7.328
  655   1HG2  VAL  80          HG21      VAL  80   2.502  -1.142   8.530
  656   2HG2  VAL  80          HG22      VAL  80   3.048  -0.042   7.264
  657   3HG2  VAL  80          HG23      VAL  80   4.031  -0.281   8.709
  658    H    LEU  81           HN       LEU  81   3.832  -2.628   3.732
  659    HA   LEU  81           HA       LEU  81   5.009  -5.328   3.984
  660   1HB   LEU  81          HB2       LEU  81   4.048  -3.976   1.458
  661   2HB   LEU  81          HB1       LEU  81   4.482  -5.672   1.670
  662    HG   LEU  81           HG       LEU  81   2.210  -4.304   3.135
  663   1HD1  LEU  81          HD11      LEU  81   1.124  -6.196   1.445
  664   2HD1  LEU  81          HD12      LEU  81   2.409  -5.498   0.458
  665   3HD1  LEU  81          HD13      LEU  81   1.154  -4.460   1.134
  666   1HD2  LEU  81          HD21      LEU  81   2.120  -7.195   2.846
  667   2HD2  LEU  81          HD22      LEU  81   2.048  -6.223   4.316
  668   3HD2  LEU  81          HD23      LEU  81   3.610  -6.687   3.641
  669    H    SER  82           HN       SER  82   7.168  -5.499   3.699
  670    HA   SER  82           HA       SER  82   8.552  -3.691   1.899
  671   1HB   SER  82          HB2       SER  82   8.622  -2.298   3.838
  672   2HB   SER  82          HB1       SER  82   9.052  -3.653   4.875
  673    HG   SER  82           HG       SER  82  10.738  -3.331   2.749
  674    H    GLY  83           HN       GLY  83  10.943  -4.165   1.923
  675   1HA   GLY  83          HA2       GLY  83  12.740  -5.673   2.087
  676   2HA   GLY  83          HA1       GLY  83  11.649  -6.868   2.775
  677    H    ILE  84           HN       ILE  84  12.017  -5.061  -0.267
  678    HA   ILE  84           HA       ILE  84  11.394  -5.717  -2.425
  679    HB   ILE  84           HB       ILE  84  13.058  -7.169  -3.308
  680   1HG1  ILE  84          HG12      ILE  84  13.516  -8.177  -0.482
  681   2HG1  ILE  84          HG11      ILE  84  12.581  -9.042  -1.702
  682   1HG2  ILE  84          HG21      ILE  84  14.074  -5.751  -0.829
  683   2HG2  ILE  84          HG22      ILE  84  13.990  -5.095  -2.464
  684   3HG2  ILE  84          HG23      ILE  84  15.121  -6.396  -2.093
  685   1HD1  ILE  84          HD11      ILE  84  14.535  -9.162  -3.165
  686   2HD1  ILE  84          HD12      ILE  84  14.939  -9.834  -1.586
  687   3HD1  ILE  84          HD13      ILE  84  15.480  -8.212  -2.018
  688    H    ASP  85           HN       ASP  85  10.140  -7.383   0.041
  689    HA   ASP  85           HA       ASP  85   9.186  -9.661  -1.564
  690   1HB   ASP  85          HB2       ASP  85   8.404 -10.605   0.520
  691   2HB   ASP  85          HB1       ASP  85  10.070 -10.071   0.741
  692    H    LEU  86           HN       LEU  86   8.361  -6.571  -1.207
  693    HA   LEU  86           HA       LEU  86   5.782  -6.281  -0.390
  694   1HB   LEU  86          HB2       LEU  86   6.898  -5.107  -2.942
  695   2HB   LEU  86          HB1       LEU  86   5.599  -4.450  -1.950
  696    HG   LEU  86           HG       LEU  86   7.778  -4.874  -0.203
  697   1HD1  LEU  86          HD11      LEU  86   8.558  -3.867  -2.918
  698   2HD1  LEU  86          HD12      LEU  86   9.461  -4.897  -1.806
  699   3HD1  LEU  86          HD13      LEU  86   9.330  -3.165  -1.496
  700   1HD2  LEU  86          HD21      LEU  86   7.385  -2.140  -1.226
  701   2HD2  LEU  86          HD22      LEU  86   7.199  -2.764   0.414
  702   3HD2  LEU  86          HD23      LEU  86   5.889  -2.945  -0.752
  703    H    THR  87           HN       THR  87   6.808  -7.474  -3.594
  704    HA   THR  87           HA       THR  87   4.193  -7.774  -4.623
  705    HB   THR  87           HB       THR  87   5.233  -9.163  -6.356
  706    HG1  THR  87           HG1      THR  87   7.375  -9.132  -4.515
  707   1HG2  THR  87          HG21      THR  87   7.183  -7.529  -6.891
  708   2HG2  THR  87          HG22      THR  87   6.658  -6.675  -5.440
  709   3HG2  THR  87          HG23      THR  87   5.548  -6.877  -6.795
  710    H    ASP  88           HN       ASP  88   6.261  -9.951  -2.767
  711    HA   ASP  88           HA       ASP  88   4.533 -12.221  -3.092
  712   1HB   ASP  88          HB2       ASP  88   6.790 -11.577  -1.188
  713   2HB   ASP  88          HB1       ASP  88   5.893 -13.090  -1.125
  714    H    GLN  89           HN       GLN  89   5.143  -9.850  -0.522
  715    HA   GLN  89           HA       GLN  89   3.128 -10.833   1.237
  716   1HB   GLN  89          HB2       GLN  89   5.176  -8.965   1.400
  717   2HB   GLN  89          HB1       GLN  89   3.712  -7.986   1.497
  718   1HG   GLN  89          HG2       GLN  89   2.863  -9.365   3.321
  719   2HG   GLN  89          HG1       GLN  89   4.248 -10.447   3.184
  720   1HE2  GLN  89          HE21      GLN  89   5.967  -7.919   2.608
  721   2HE2  GLN  89          HE22      GLN  89   6.238  -7.273   4.154
  722    H    LEU  90           HN       LEU  90   3.238  -8.212  -1.174
  723    HA   LEU  90           HA       LEU  90   0.703  -7.125  -0.706
  724   1HB   LEU  90          HB2       LEU  90   2.322  -6.030  -2.162
  725   2HB   LEU  90          HB1       LEU  90   2.224  -7.364  -3.312
  726    HG   LEU  90           HG       LEU  90  -0.185  -6.893  -3.640
  727   1HD1  LEU  90          HD11      LEU  90   0.055  -5.533  -1.226
  728   2HD1  LEU  90          HD12      LEU  90  -1.346  -5.493  -2.296
  729   3HD1  LEU  90          HD13      LEU  90  -0.111  -4.239  -2.412
  730   1HD2  LEU  90          HD21      LEU  90   1.006  -5.804  -5.300
  731   2HD2  LEU  90          HD22      LEU  90   1.927  -4.836  -4.149
  732   3HD2  LEU  90          HD23      LEU  90   0.255  -4.413  -4.518
  733    H    ALA  91           HN       ALA  91   1.630  -9.573  -3.136
  734    HA   ALA  91           HA       ALA  91  -0.906 -10.123  -4.133
  735   1HB   ALA  91          HB1       ALA  91   0.108 -12.486  -4.508
  736   2HB   ALA  91          HB2       ALA  91   1.585 -11.783  -3.849
  737   3HB   ALA  91          HB3       ALA  91   0.863 -11.109  -5.310
  738    H    ASN  92           HN       ASN  92   0.683 -11.307  -1.220
  739    HA   ASN  92           HA       ASN  92  -1.429 -13.186  -0.603
  740   1HB   ASN  92          HB2       ASN  92   1.078 -12.260   0.765
  741   2HB   ASN  92          HB1       ASN  92  -0.122 -13.205   1.640
  742   1HD2  ASN  92          HD21      ASN  92   2.407 -14.345   1.211
  743   2HD2  ASN  92          HD22      ASN  92   2.281 -15.593   0.067
  744    H    GLN  93           HN       GLN  93  -0.471  -9.936   0.325
  745    HA   GLN  93           HA       GLN  93  -2.396  -9.736   2.456
  746   1HB   GLN  93          HB2       GLN  93  -0.575  -7.768   1.080
  747   2HB   GLN  93          HB1       GLN  93  -1.738  -7.270   2.306
  748   1HG   GLN  93          HG2       GLN  93   0.488  -9.294   2.656
  749   2HG   GLN  93          HG1       GLN  93   0.411  -7.686   3.374
  750   1HE2  GLN  93          HE21      GLN  93   0.023 -10.827   4.233
  751   2HE2  GLN  93          HE22      GLN  93  -1.174 -10.665   5.425
  752    H    LEU  94           HN       LEU  94  -2.239  -8.870  -0.948
  753    HA   LEU  94           HA       LEU  94  -4.356  -7.085  -1.148
  754   1HB   LEU  94          HB2       LEU  94  -3.030  -7.508  -3.088
  755   2HB   LEU  94          HB1       LEU  94  -3.405  -9.231  -3.051
  756    HG   LEU  94           HG       LEU  94  -5.714  -8.816  -3.611
  757   1HD1  LEU  94          HD11      LEU  94  -6.669  -6.619  -3.766
  758   2HD1  LEU  94          HD12      LEU  94  -5.090  -5.852  -3.596
  759   3HD1  LEU  94          HD13      LEU  94  -5.818  -6.686  -2.223
  760   1HD2  LEU  94          HD21      LEU  94  -4.222  -8.841  -5.530
  761   2HD2  LEU  94          HD22      LEU  94  -3.815  -7.143  -5.286
  762   3HD2  LEU  94          HD23      LEU  94  -5.442  -7.596  -5.794
  763    HA   PRO  95           HA       PRO  95  -7.294 -10.972  -1.916
  764   1HB   PRO  95          HB2       PRO  95  -6.148 -13.036  -0.269
  765   2HB   PRO  95          HB1       PRO  95  -6.441 -13.069  -2.014
  766   1HG   PRO  95          HG2       PRO  95  -3.960 -12.621  -0.560
  767   2HG   PRO  95          HG1       PRO  95  -4.211 -13.041  -2.259
  768   1HD   PRO  95          HD2       PRO  95  -3.332 -10.574  -1.403
  769   2HD   PRO  95          HD1       PRO  95  -4.186 -10.844  -2.939
  770    H    GLN  96           HN       GLN  96  -5.395 -10.701   1.072
  771    HA   GLN  96           HA       GLN  96  -7.536 -11.195   2.867
  772   1HB   GLN  96          HB2       GLN  96  -4.978  -9.629   3.302
  773   2HB   GLN  96          HB1       GLN  96  -6.045 -10.231   4.572
  774   1HG   GLN  96          HG2       GLN  96  -5.683 -12.546   3.747
  775   2HG   GLN  96          HG1       GLN  96  -4.561 -11.922   2.540
  776   1HE2  GLN  96          HE21      GLN  96  -3.698 -13.788   4.522
  777   2HE2  GLN  96          HE22      GLN  96  -2.621 -12.998   5.570
  778    H    TRP  97           HN       TRP  97  -6.358  -8.340   1.215
  779    HA   TRP  97           HA       TRP  97  -7.812  -6.423   2.750
  780   1HB   TRP  97          HB2       TRP  97  -6.845  -6.225  -0.116
  781   2HB   TRP  97          HB1       TRP  97  -7.299  -4.881   0.932
  782    HD1  TRP  97           HD1      TRP  97  -5.739  -6.976   3.288
  783    HE1  TRP  97           HE1      TRP  97  -3.224  -6.487   3.580
  784    HE3  TRP  97           HE3      TRP  97  -4.871  -4.262  -0.950
  785    HZ2  TRP  97           HZ2      TRP  97  -1.122  -5.122   2.197
  786    HZ3  TRP  97           HZ3      TRP  97  -2.607  -3.380  -1.438
  787    HH2  TRP  97           HH2      TRP  97  -0.733  -3.806   0.129
  788    H    LEU  98           HN       LEU  98  -8.388  -7.880  -0.459
  789    HA   LEU  98           HA       LEU  98 -10.969  -6.790  -0.829
  790   1HB   LEU  98          HB2       LEU  98  -9.783  -9.360  -1.912
  791   2HB   LEU  98          HB1       LEU  98 -11.216  -8.547  -2.535
  792    HG   LEU  98           HG       LEU  98  -8.431  -7.357  -2.433
  793   1HD1  LEU  98          HD11      LEU  98  -9.957  -7.898  -4.953
  794   2HD1  LEU  98          HD12      LEU  98  -9.147  -9.248  -4.158
  795   3HD1  LEU  98          HD13      LEU  98  -8.214  -7.849  -4.689
  796   1HD2  LEU  98          HD21      LEU  98  -9.515  -5.570  -3.833
  797   2HD2  LEU  98          HD22      LEU  98 -10.126  -5.637  -2.180
  798   3HD2  LEU  98          HD23      LEU  98 -11.075  -6.322  -3.499
  799    H    VAL  99           HN       VAL  99  -9.748  -9.719   0.678
  800    HA   VAL  99           HA       VAL  99 -12.326 -10.878   1.191
  801    HB   VAL  99           HB       VAL  99  -9.557 -11.445   2.274
  802   1HG1  VAL  99          HG11      VAL  99 -11.990 -13.200   2.627
  803   2HG1  VAL  99          HG12      VAL  99 -11.526 -12.009   3.845
  804   3HG1  VAL  99          HG13      VAL  99 -10.424 -13.323   3.432
  805   1HG2  VAL  99          HG21      VAL  99 -11.268 -13.236   0.571
  806   2HG2  VAL  99          HG22      VAL  99  -9.511 -13.194   0.721
  807   3HG2  VAL  99          HG23      VAL  99 -10.351 -11.928  -0.176
  808    H    GLN 100           HN       GLN 100 -10.948  -8.159   2.325
  809    HA   GLN 100           HA       GLN 100 -10.770  -7.570   4.776
  810   1HB   GLN 100          HB2       GLN 100 -13.205  -6.718   3.202
  811   2HB   GLN 100          HB1       GLN 100 -12.794  -6.028   4.771
  812   1HG   GLN 100          HG2       GLN 100 -10.438  -5.649   3.678
  813   2HG   GLN 100          HG1       GLN 100 -11.326  -5.800   2.162
  814   1HE2  GLN 100          HE21      GLN 100 -10.163  -3.321   2.776
  815   2HE2  GLN 100          HE22      GLN 100 -11.383  -2.202   3.149
  816    H    GLN 101           HN       GLN 101 -11.580 -10.266   4.849
  817    HA   GLN 101           HA       GLN 101 -14.190 -10.507   6.030
  818   1HB   GLN 101          HB2       GLN 101 -11.838 -12.383   5.828
  819   2HB   GLN 101          HB1       GLN 101 -13.367 -12.825   6.591
  820   1HG   GLN 101          HG2       GLN 101 -14.382 -11.882   4.333
  821   2HG   GLN 101          HG1       GLN 101 -12.780 -12.267   3.710
  822   1HE2  GLN 101          HE21      GLN 101 -15.513 -13.611   3.296
  823   2HE2  GLN 101          HE22      GLN 101 -15.224 -15.243   3.664
  824    H    GLU 102           HN       GLU 102 -14.699 -10.996   8.165
  825    HA   GLU 102           HA       GLU 102 -13.690  -9.501  10.186
  826   1HB   GLU 102          HB2       GLU 102 -14.750 -12.331  10.421
  827   2HB   GLU 102          HB1       GLU 102 -14.631 -11.175  11.750
  828   1HG   GLU 102          HG2       GLU 102 -16.678 -11.409   9.720
  829   2HG   GLU 102          HG1       GLU 102 -16.664 -10.397  11.163
  830    H    GLY 103           HN       GLY 103 -11.336  -9.913   9.070
  831   1HA   GLY 103          HA2       GLY 103  -9.477 -11.620   9.262
  832   2HA   GLY 103          HA1       GLY 103  -9.245 -10.235  10.329
  833    H    ILE 104           HN       ILE 104 -11.946 -11.831  11.332
  834    HA   ILE 104           HA       ILE 104 -10.858 -12.696  13.770
  835    HB   ILE 104           HB       ILE 104 -13.445 -13.194  12.330
  836   1HG1  ILE 104          HG12      ILE 104 -14.111 -11.409  13.535
  837   2HG1  ILE 104          HG11      ILE 104 -13.503 -12.121  15.028
  838   1HG2  ILE 104          HG21      ILE 104 -12.696 -15.242  13.653
  839   2HG2  ILE 104          HG22      ILE 104 -14.247 -14.550  14.126
  840   3HG2  ILE 104          HG23      ILE 104 -12.812 -14.237  15.103
  841   1HD1  ILE 104          HD11      ILE 104 -11.245 -11.331  14.531
  842   2HD1  ILE 104          HD12      ILE 104 -12.369  -9.972  14.457
  843   3HD1  ILE 104          HD13      ILE 104 -11.777 -10.713  12.969
  844    H    PHE 105           HN       PHE 105 -10.773 -14.857  14.620
  845    HA   PHE 105           HA       PHE 105  -9.607 -16.771  12.729
  846   1HB   PHE 105          HB2       PHE 105  -9.452 -17.935  15.220
  847   2HB   PHE 105          HB1       PHE 105  -8.197 -16.921  14.513
  848    HD1  PHE 105           HD1      PHE 105 -11.507 -16.441  16.251
  849    HD2  PHE 105           HD2      PHE 105  -7.411 -15.210  15.848
  850    HE1  PHE 105           HE1      PHE 105 -11.828 -14.769  18.059
  851    HE2  PHE 105           HE2      PHE 105  -7.733 -13.543  17.650
  852    HZ   PHE 105           HZ       PHE 105  -9.943 -13.319  18.752