*HEADER    PROTEIN BINDING                         04-DEC-06   2E45              
*TITLE     SOLUTION STRUCTURE OF FE65 WW DOMAIN                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: AMYLOID BETA A4 PRECURSOR PROTEIN-BINDING FAMILY           
*COMPND   3 B MEMBER 1;                                                          
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 FRAGMENT: WW DOMAIN;                                                 
*COMPND   6 SYNONYM: FE65 PROTEIN;                                               
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PGEX-6P-1                                 
*KEYWDS    TRIPLE-STRANDED BETA-SHEET, STRUCTURAL GENOMICS, NPPSFA,              
*KEYWDS   2 NATIONAL PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL                
*KEYWDS   3 ANALYSES, RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE,           
*KEYWDS   4 RSGI                                                                 
*EXPDTA    NMR, 25 STRUCTURES                                                    
*AUTHOR    T.KOUNO, M.MIZUGUCHI, Y.NOZAWA, T.SUGAYA, K.KAWANO, RIKEN             
*AUTHOR   2 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI)                     
*REVDAT   1   26-DEC-06 2E45    0                                                


!NOE-derived distance restraints
!2 SER
assign (resid   2 and name  HB*) (resid   2 and name   HA)  2.80  1.00  1.00
assign (resid   2 and name   HN) (resid   1 and name   HA)  2.65  0.85  0.85
assign (resid   2 and name   HN) (resid   1 and name  HB2)  3.40  1.60  1.60
assign (resid   2 and name   HN) (resid   2 and name   HA)  3.40  1.60  1.60
assign (resid   2 and name   HN) (resid   2 and name  HB*)  3.55  1.75  1.75

!3 PHE
assign (resid   3 and name  HB*) (resid   3 and name   HA)  2.80  1.00  1.00
assign (resid   3 and name  HD*) (resid   3 and name   HA)  3.65  1.85  1.85
assign (resid   3 and name  HD*) (resid   3 and name  HB*)  3.80  2.00  2.00
assign (resid   3 and name   HN) (resid   2 and name   HA)  2.65  0.85  0.85
assign (resid   3 and name   HN) (resid   2 and name  HB*)  3.55  1.75  1.75
assign (resid   3 and name   HN) (resid   3 and name   HA)  2.65  0.85  0.85
assign (resid   3 and name   HN) (resid   3 and name  HB*)  2.80  1.00  1.00
assign (resid   3 and name   HN) (resid   3 and name  HD*)  4.15  2.35  2.35

!4 TRP
assign (resid   4 and name  HB*) (resid   4 and name   HA)  2.80  1.00  1.00
assign (resid   4 and name  HD1) (resid   4 and name   HA)  3.40  1.60  1.60
assign (resid   4 and name  HD1) (resid   4 and name  HB*)  3.55  1.75  1.75
assign (resid   4 and name  HE3) (resid   4 and name   HA)  3.40  1.60  1.60
assign (resid   4 and name  HE3) (resid   4 and name  HB*)  3.55  1.75  1.75
assign (resid   4 and name   HN) (resid   3 and name  HB*)  3.55  1.75  1.75
assign (resid   4 and name   HN) (resid   4 and name   HA)  2.30  0.50  0.50
assign (resid   4 and name   HN) (resid   4 and name  HB*)  2.80  1.00  1.00
assign (resid   4 and name   HN) (resid   4 and name  HD1)  3.40  1.60  1.60

!5 ASN
assign (resid   5 and name   HA) (resid   5 and name  HB1)  2.65  0.85  0.85
assign (resid   5 and name   HA) (resid   5 and name  HB2)  2.65  0.85  0.85
assign (resid   5 and name   HA) (resid   6 and name  HG*)  3.55  1.75  1.75
assign (resid   5 and name  HB1) (resid   6 and name  HD2)  3.40  1.60  1.60
assign (resid   5 and name  HB2) (resid   6 and name  HD2)  3.40  1.60  1.60
assign (resid   5 and name HD21) (resid   5 and name  HB1)  2.65  0.85  0.85
assign (resid   5 and name HD21) (resid   5 and name  HB2)  2.65  0.85  0.85
assign (resid   5 and name HD22) (resid   5 and name  HB2)  3.40  1.60  1.60
assign (resid   5 and name   HN) (resid   4 and name  HE3)  3.40  1.60  1.60
assign (resid   5 and name   HN) (resid   5 and name  HB1)  2.65  0.85  0.85
assign (resid   5 and name   HN) (resid   5 and name  HB2)  2.65  0.85  0.85

!6 PRO
assign (resid   6 and name  HD1) (resid   5 and name   HA)  2.30  0.50  0.50
assign (resid   6 and name  HD2) (resid   5 and name   HA)  2.30  0.50  0.50

!7 ASN
assign (resid   7 and name  HB1) (resid   7 and name   HA)  2.65  0.85  0.85
assign (resid   7 and name  HB2) (resid   7 and name   HA)  2.65  0.85  0.85
assign (resid   7 and name HD21) (resid   7 and name  HB1)  3.40  1.60  1.60
assign (resid   7 and name HD21) (resid   7 and name  HB2)  2.65  0.85  0.85
assign (resid   7 and name HD22) (resid   7 and name  HB1)  3.40  1.60  1.60
assign (resid   7 and name HD22) (resid   7 and name  HB2)  3.40  1.60  1.60
assign (resid   7 and name   HN) (resid   6 and name   HA)  2.65  0.85  0.85
assign (resid   7 and name   HN) (resid   6 and name  HB1)  3.40  1.60  1.60
assign (resid   7 and name   HN) (resid   6 and name  HB2)  2.65  0.85  0.85
assign (resid   7 and name   HN) (resid   6 and name  HD2)  3.40  1.60  1.60
assign (resid   7 and name   HN) (resid   7 and name   HA)  2.65  0.85  0.85
assign (resid   7 and name   HN) (resid   7 and name  HB1)  2.65  0.85  0.85
assign (resid   7 and name   HN) (resid   7 and name  HB2)  2.65  0.85  0.85

!8 ALA
assign (resid   8 and name  HB*) (resid   5 and name  HB1)  3.65  1.85  1.85
assign (resid   8 and name   HN) (resid   7 and name  HB1)  3.40  1.60  1.60
assign (resid   8 and name   HN) (resid   7 and name  HB2)  3.40  1.60  1.60
assign (resid   8 and name   HN) (resid   7 and name   HN)  2.65  0.85  0.85
assign (resid   8 and name   HN) (resid   8 and name   HA)  2.65  0.85  0.85
assign (resid   8 and name   HN) (resid   8 and name  HB*)  2.90  1.10  1.10

!9 PHE
assign (resid   9 and name   HA) (resid   8 and name  HB*)  4.15  2.35  2.35
assign (resid   9 and name  HB1) (resid   9 and name   HA)  2.65  0.85  0.85
assign (resid   9 and name  HB2) (resid   9 and name   HA)  2.65  0.85  0.85
assign (resid   9 and name  HD*) (resid   8 and name  HB*)  4.40  2.60  2.60
assign (resid   9 and name  HD*) (resid   9 and name   HA)  3.65  1.85  1.85
assign (resid   9 and name  HD*) (resid   9 and name  HB1)  3.65  1.85  1.85
assign (resid   9 and name  HD*) (resid   9 and name  HB2)  3.65  1.85  1.85
assign (resid   9 and name   HN) (resid   8 and name   HA)  2.65  0.85  0.85
assign (resid   9 and name   HN) (resid   8 and name  HB*)  3.65  1.85  1.85
assign (resid   9 and name   HN) (resid   9 and name   HA)  2.65  0.85  0.85
assign (resid   9 and name   HN) (resid   9 and name  HB1)  2.65  0.85  0.85
assign (resid   9 and name   HN) (resid   9 and name  HB2)  2.65  0.85  0.85
assign (resid   9 and name   HN) (resid   9 and name  HD*)  3.65  1.85  1.85

!10 GLU
assign (resid  10 and name  HB1) (resid  10 and name   HA)  2.65  0.85  0.85
assign (resid  10 and name  HB1) (resid  10 and name  HG*)  2.45  0.65  0.65
assign (resid  10 and name  HB2) (resid  10 and name   HA)  2.65  0.85  0.85
assign (resid  10 and name  HG*) (resid  10 and name   HA)  2.80  1.00  1.00
assign (resid  10 and name   HN) (resid  10 and name   HA)  2.65  0.85  0.85
assign (resid  10 and name   HN) (resid  10 and name  HB1)  2.65  0.85  0.85
assign (resid  10 and name   HN) (resid  10 and name  HB2)  2.65  0.85  0.85
assign (resid  10 and name   HN) (resid  10 and name  HG*)  3.55  1.75  1.75
assign (resid  10 and name   HN) (resid   8 and name  HB*)  4.15  2.35  2.35
assign (resid  10 and name   HN) (resid   9 and name   HA)  2.30  0.50  0.50
assign (resid  10 and name   HN) (resid   9 and name  HB1)  3.40  1.60  1.60
assign (resid  10 and name   HN) (resid   9 and name  HB2)  3.40  1.60  1.60
assign (resid  10 and name   HN) (resid   9 and name  HD*)  4.15  2.35  2.35
assign (resid  10 and name   HN) (resid   9 and name   HN)  3.40  1.60  1.60

!11 THR
assign (resid  11 and name HG2*) (resid  11 and name   HA)  2.90  1.10  1.10
assign (resid  11 and name HG2*) (resid  11 and name   HB)  2.90  1.10  1.10
assign (resid  11 and name   HN) (resid  10 and name   HA)  2.30  0.50  0.50
assign (resid  11 and name   HN) (resid  10 and name  HB1)  2.65  0.85  0.85
assign (resid  11 and name   HN) (resid  10 and name  HB2)  3.40  1.60  1.60
assign (resid  11 and name   HN) (resid  11 and name   HB)  2.30  0.50  0.50
assign (resid  11 and name   HN) (resid  11 and name HG2*)  3.65  1.85  1.85

!12 ASP
assign (resid  12 and name  HB1) (resid  12 and name   HA)  2.65  0.85  0.85
assign (resid  12 and name  HB1) (resid  15 and name  HB2)  3.40  1.60  1.60
assign (resid  12 and name  HB1) (resid  15 and name HD2*)  4.15  2.35  2.35
assign (resid  12 and name  HB2) (resid  12 and name   HA)  2.65  0.85  0.85
assign (resid  12 and name  HB2) (resid  15 and name  HB2)  3.40  1.60  1.60
assign (resid  12 and name  HB2) (resid  15 and name   HG)  3.40  1.60  1.60
assign (resid  12 and name   HN) (resid  11 and name   HA)  2.30  0.50  0.50
assign (resid  12 and name   HN) (resid  11 and name   HB)  2.30  0.50  0.50
assign (resid  12 and name   HN) (resid  11 and name HG2*)  3.65  1.85  1.85
assign (resid  12 and name   HN) (resid  12 and name   HA)  2.65  0.85  0.85
assign (resid  12 and name   HN) (resid  12 and name  HB1)  2.65  0.85  0.85
assign (resid  12 and name   HN) (resid  12 and name  HB2)  2.65  0.85  0.85

!13 SER
assign (resid  13 and name  HB1) (resid  13 and name   HA)  2.30  0.50  0.50
assign (resid  13 and name  HB2) (resid  13 and name   HA)  2.30  0.50  0.50
assign (resid  13 and name   HN) (resid  12 and name   HA)  2.65  0.85  0.85
assign (resid  13 and name   HN) (resid  12 and name  HB1)  3.40  1.60  1.60
assign (resid  13 and name   HN) (resid  12 and name  HB2)  3.40  1.60  1.60
assign (resid  13 and name   HN) (resid  13 and name   HA)  2.65  0.85  0.85
assign (resid  13 and name   HN) (resid  13 and name  HB1)  2.65  0.85  0.85
assign (resid  13 and name   HN) (resid  13 and name  HB2)  2.65  0.85  0.85

!14 ASP
assign (resid  14 and name  HB*) (resid  14 and name   HA)  2.45  0.65  0.65
assign (resid  14 and name   HN) (resid  13 and name   HA)  2.65  0.85  0.85
assign (resid  14 and name   HN) (resid  13 and name  HB1)  3.40  1.60  1.60
assign (resid  14 and name   HN) (resid  13 and name  HB2)  3.40  1.60  1.60
assign (resid  14 and name   HN) (resid  13 and name   HN)  2.65  0.85  0.85
assign (resid  14 and name   HN) (resid  14 and name   HA)  2.65  0.85  0.85
assign (resid  14 and name   HN) (resid  14 and name  HB*)  2.80  1.00  1.00

!15 LEU
assign (resid  15 and name   HA) (resid  15 and name HD2*)  2.90  1.10  1.10
assign (resid  15 and name  HB1) (resid  15 and name   HA)  2.65  0.85  0.85
assign (resid  15 and name  HB1) (resid  15 and name   HG)  2.65  0.85  0.85
assign (resid  15 and name  HB1) (resid  19 and name  HB2)  2.65  0.85  0.85
assign (resid  15 and name  HB2) (resid  15 and name   HA)  2.65  0.85  0.85
assign (resid  15 and name  HB2) (resid  15 and name   HG)  2.30  0.50  0.50
assign (resid  15 and name  HB2) (resid  16 and name  HD1)  3.40  1.60  1.60
assign (resid  15 and name  HB2) (resid  16 and name  HD2)  2.65  0.85  0.85
assign (resid  15 and name  HB2) (resid  19 and name  HB2)  3.40  1.60  1.60
assign (resid  15 and name HD1*) (resid  15 and name   HA)  2.90  1.10  1.10
assign (resid  15 and name HD2*) (resid  15 and name  HB2)  2.90  1.10  1.10
assign (resid  15 and name   HG) (resid  15 and name   HA)  3.40  1.60  1.60
assign (resid  15 and name   HN) (resid  14 and name   HA)  2.30  0.50  0.50
assign (resid  15 and name   HN) (resid  14 and name  HB*)  3.55  1.75  1.75
assign (resid  15 and name   HN) (resid  14 and name   HN)  2.65  0.85  0.85
assign (resid  15 and name   HN) (resid  15 and name  HB1)  2.65  0.85  0.85
assign (resid  15 and name   HN) (resid  15 and name  HB2)  2.30  0.50  0.50
assign (resid  15 and name   HN) (resid  15 and name HD2*)  3.65  1.85  1.85
assign (resid  15 and name   HN) (resid  15 and name   HG)  3.40  1.60  1.60

!16 PRO
assign (resid  16 and name  HD1) (resid  15 and name   HA)  2.30  0.50  0.50
assign (resid  16 and name  HD1) (resid  15 and name  HB1)  2.65  0.85  0.85
assign (resid  16 and name  HD1) (resid  15 and name HD1*)  3.65  1.85  1.85
assign (resid  16 and name  HD2) (resid  15 and name   HA)  2.65  0.85  0.85
assign (resid  16 and name  HD2) (resid  15 and name  HB1)  2.65  0.85  0.85
assign (resid  16 and name  HD2) (resid  15 and name HD1*)  3.65  1.85  1.85
assign (resid  16 and name  HD2) (resid  19 and name  HB2)  3.40  1.60  1.60
assign (resid  16 and name  HD2) (resid  43 and name  HG1)  3.40  1.60  1.60
assign (resid  16 and name  HG2) (resid  15 and name HD1*)  3.65  1.85  1.85

!17 ALA
assign (resid  17 and name   HN) (resid  16 and name   HA)  2.30  0.50  0.50
assign (resid  17 and name   HN) (resid  16 and name  HB1)  2.65  0.85  0.85
assign (resid  17 and name   HN) (resid  16 and name  HB2)  2.65  0.85  0.85
assign (resid  17 and name   HN) (resid  17 and name   HA)  2.65  0.85  0.85
assign (resid  17 and name   HN) (resid  17 and name  HB*)  2.90  1.10  1.10
assign (resid  17 and name   HN) (resid  19 and name  HD1)  3.40  1.60  1.60

!18 GLY
assign (resid  18 and name  HA1) (resid  33 and name   HB)  2.65  0.85  0.85
assign (resid  18 and name  HA1) (resid  33 and name HD1*)  4.15  2.35  2.35
assign (resid  18 and name  HA2) (resid  33 and name   HB)  3.40  1.60  1.60
assign (resid  18 and name  HA2) (resid  33 and name HD1*)  4.15  2.35  2.35
assign (resid  18 and name   HN) (resid  17 and name   HA)  2.30  0.50  0.50
assign (resid  18 and name   HN) (resid  17 and name  HB*)  3.65  1.85  1.85
assign (resid  18 and name   HN) (resid  18 and name  HA1)  2.65  0.85  0.85
assign (resid  18 and name   HN) (resid  18 and name  HA2)  2.65  0.85  0.85

!19 TRP
assign (resid  19 and name   HA) (resid  32 and name   HA)  2.30  0.50  0.50
assign (resid  19 and name   HA) (resid  32 and name  HB2)  3.40  1.60  1.60
assign (resid  19 and name   HA) (resid  33 and name HG11)  3.40  1.60  1.60
assign (resid  19 and name  HB1) (resid  15 and name  HB1)  2.65  0.85  0.85
assign (resid  19 and name  HB1) (resid  15 and name  HB2)  3.40  1.60  1.60
assign (resid  19 and name  HB1) (resid  15 and name HD1*)  3.65  1.85  1.85
assign (resid  19 and name  HB1) (resid  15 and name   HG)  2.65  0.85  0.85
assign (resid  19 and name  HB1) (resid  19 and name   HA)  2.65  0.85  0.85
assign (resid  19 and name  HB1) (resid  43 and name  HG1)  3.40  1.60  1.60
assign (resid  19 and name  HB2) (resid  15 and name HD1*)  3.65  1.85  1.85
assign (resid  19 and name  HB2) (resid  15 and name   HG)  3.40  1.60  1.60
assign (resid  19 and name  HB2) (resid  19 and name   HA)  2.65  0.85  0.85
assign (resid  19 and name  HB2) (resid  43 and name  HG1)  3.40  1.60  1.60
assign (resid  19 and name  HD1) (resid  15 and name  HB1)  3.40  1.60  1.60
assign (resid  19 and name  HD1) (resid  16 and name  HB1)  3.40  1.60  1.60
assign (resid  19 and name  HD1) (resid  16 and name  HB2)  2.65  0.85  0.85
assign (resid  19 and name  HD1) (resid  16 and name  HD1)  3.40  1.60  1.60
assign (resid  19 and name  HD1) (resid  16 and name  HG1)  3.40  1.60  1.60
assign (resid  19 and name  HD1) (resid  16 and name  HG2)  3.40  1.60  1.60
assign (resid  19 and name  HD1) (resid  19 and name   HA)  3.40  1.60  1.60
assign (resid  19 and name  HD1) (resid  19 and name  HB1)  3.40  1.60  1.60
assign (resid  19 and name  HD1) (resid  19 and name  HB2)  3.40  1.60  1.60
assign (resid  19 and name  HE3) (resid  19 and name   HA)  3.40  1.60  1.60
assign (resid  19 and name  HE3) (resid  19 and name  HB1)  2.65  0.85  0.85
assign (resid  19 and name  HE3) (resid  19 and name  HB2)  3.40  1.60  1.60
assign (resid  19 and name  HE3) (resid  30 and name   HA)  3.40  1.60  1.60
assign (resid  19 and name  HE3) (resid  30 and name  HB1)  2.65  0.85  0.85
assign (resid  19 and name  HE3) (resid  30 and name  HB2)  3.40  1.60  1.60
assign (resid  19 and name  HE3) (resid  30 and name  HD*)  4.15  2.35  2.35
assign (resid  19 and name  HE3) (resid  31 and name   HA)  3.90  2.10  2.10
assign (resid  19 and name  HE3) (resid  32 and name   HA)  3.90  2.10  2.10
assign (resid  19 and name  HE3) (resid  43 and name  HB2)  3.90  2.10  2.10
assign (resid  19 and name  HH2) (resid  32 and name  HB2)  3.40  1.60  1.60
assign (resid  19 and name  HH2) (resid  37 and name   HB)  3.40  1.60  1.60
assign (resid  19 and name  HH2) (resid  37 and name HG2*)  3.65  1.85  1.85
assign (resid  19 and name  HH2) (resid  39 and name  HG1)  3.40  1.60  1.60
assign (resid  19 and name  HH2) (resid  39 and name  HG2)  3.90  2.10  2.10
assign (resid  19 and name   HN) (resid  15 and name  HB1)  3.40  1.60  1.60
assign (resid  19 and name   HN) (resid  15 and name  HB2)  3.40  1.60  1.60
assign (resid  19 and name   HN) (resid  17 and name   HA)  2.65  0.85  0.85
assign (resid  19 and name   HN) (resid  18 and name  HA1)  2.65  0.85  0.85
assign (resid  19 and name   HN) (resid  18 and name   HN)  2.65  0.85  0.85
assign (resid  19 and name   HN) (resid  19 and name   HA)  2.65  0.85  0.85
assign (resid  19 and name   HN) (resid  19 and name  HB1)  2.65  0.85  0.85
assign (resid  19 and name   HN) (resid  19 and name  HB2)  2.30  0.50  0.50
assign (resid  19 and name   HN) (resid  19 and name  HD1)  2.65  0.85  0.85
assign (resid  19 and name  HZ2) (resid  32 and name  HB2)  3.90  2.10  2.10
assign (resid  19 and name  HZ2) (resid  37 and name HG2*)  4.15  2.35  2.35
assign (resid  19 and name  HZ2) (resid  43 and name  HB1)  3.90  2.10  2.10
assign (resid  19 and name  HZ2) (resid  43 and name  HB2)  3.90  2.10  2.10
assign (resid  19 and name  HZ3) (resid  30 and name  HB1)  3.40  1.60  1.60
assign (resid  19 and name  HZ3) (resid  30 and name  HB2)  3.40  1.60  1.60
assign (resid  19 and name  HZ3) (resid  31 and name   HA)  3.40  1.60  1.60
assign (resid  19 and name  HZ3) (resid  32 and name  HB2)  3.40  1.60  1.60
assign (resid  19 and name  HZ3) (resid  37 and name   HB)  3.90  2.10  2.10
assign (resid  19 and name  HZ3) (resid  37 and name HG2*)  4.15  2.35  2.35
assign (resid  19 and name  HZ3) (resid  38 and name   HA)  3.40  1.60  1.60
assign (resid  19 and name  HZ3) (resid  39 and name  HG1)  3.40  1.60  1.60
assign (resid  19 and name  HZ3) (resid  39 and name  HG2)  3.40  1.60  1.60

!20 MET
assign (resid  20 and name  HB1) (resid  20 and name   HA)  2.65  0.85  0.85
assign (resid  20 and name  HB1) (resid  20 and name  HG*)  2.80  1.00  1.00
assign (resid  20 and name  HB1) (resid  22 and name HG2*)  3.65  1.85  1.85
assign (resid  20 and name  HB1) (resid  31 and name  HB1)  3.40  1.60  1.60
assign (resid  20 and name  HB1) (resid  31 and name  HB2)  3.40  1.60  1.60
assign (resid  20 and name  HB1) (resid  33 and name HG12)  3.40  1.60  1.60
assign (resid  20 and name  HB2) (resid  20 and name   HA)  2.65  0.85  0.85
assign (resid  20 and name  HB2) (resid  20 and name  HG*)  2.80  1.00  1.00
assign (resid  20 and name  HB2) (resid  22 and name HG2*)  3.65  1.85  1.85
assign (resid  20 and name  HB2) (resid  31 and name  HB1)  3.40  1.60  1.60
assign (resid  20 and name  HB2) (resid  33 and name HG12)  3.40  1.60  1.60
assign (resid  20 and name   HN) (resid  19 and name   HA)  2.65  0.85  0.85
assign (resid  20 and name   HN) (resid  19 and name  HB1)  3.40  1.60  1.60
assign (resid  20 and name   HN) (resid  19 and name  HB2)  3.40  1.60  1.60
assign (resid  20 and name   HN) (resid  19 and name  HE3)  3.40  1.60  1.60
assign (resid  20 and name   HN) (resid  20 and name   HA)  3.40  1.60  1.60
assign (resid  20 and name   HN) (resid  20 and name  HB1)  3.40  1.60  1.60
assign (resid  20 and name   HN) (resid  20 and name  HB2)  3.40  1.60  1.60
assign (resid  20 and name   HN) (resid  20 and name  HG*)  3.55  1.75  1.75
assign (resid  20 and name   HN) (resid  31 and name  HB1)  3.40  1.60  1.60
assign (resid  20 and name   HN) (resid  32 and name   HA)  3.40  1.60  1.60

!21 ARG
assign (resid  21 and name   HA) (resid  21 and name  HD2)  3.40  1.60  1.60
assign (resid  21 and name   HA) (resid  22 and name   HB)  3.40  1.60  1.60
assign (resid  21 and name  HB1) (resid  21 and name   HA)  2.65  0.85  0.85
assign (resid  21 and name  HB1) (resid  21 and name  HD2)  2.65  0.85  0.85
assign (resid  21 and name  HB1) (resid  21 and name  HG*)  2.80  1.00  1.00
assign (resid  21 and name  HB2) (resid  21 and name   HA)  2.65  0.85  0.85
assign (resid  21 and name  HB2) (resid  21 and name  HD2)  2.65  0.85  0.85
assign (resid  21 and name  HB2) (resid  21 and name  HG*)  2.80  1.00  1.00
assign (resid  21 and name  HD1) (resid  21 and name  HB1)  2.65  0.85  0.85
assign (resid  21 and name  HD1) (resid  21 and name  HB2)  2.65  0.85  0.85
assign (resid  21 and name  HD1) (resid  21 and name  HG*)  2.80  1.00  1.00
assign (resid  21 and name  HD2) (resid  21 and name  HG*)  2.80  1.00  1.00
assign (resid  21 and name  HG*) (resid  21 and name   HA)  2.80  1.00  1.00
assign (resid  21 and name  HG*) (resid  22 and name   HA)  3.55  1.75  1.75
assign (resid  21 and name  HG*) (resid  30 and name   HA)  3.55  1.75  1.75
assign (resid  21 and name   HN) (resid  20 and name   HA)  2.30  0.50  0.50
assign (resid  21 and name   HN) (resid  20 and name  HB1)  2.65  0.85  0.85
assign (resid  21 and name   HN) (resid  20 and name  HB2)  2.65  0.85  0.85
assign (resid  21 and name   HN) (resid  20 and name  HG*)  3.55  1.75  1.75
assign (resid  21 and name   HN) (resid  21 and name   HA)  2.65  0.85  0.85
assign (resid  21 and name   HN) (resid  21 and name  HB1)  2.65  0.85  0.85
assign (resid  21 and name   HN) (resid  21 and name  HB2)  2.65  0.85  0.85
assign (resid  21 and name   HN) (resid  21 and name  HG*)  3.55  1.75  1.75

!22 VAL
assign (resid  22 and name   HB) (resid  22 and name   HA)  2.65  0.85  0.85
assign (resid  22 and name   HB) (resid  31 and name  HB2)  3.40  1.60  1.60
assign (resid  22 and name HG1*) (resid  22 and name   HA)  2.90  1.10  1.10
assign (resid  22 and name HG1*) (resid  23 and name   HA)  3.65  1.85  1.85
assign (resid  22 and name HG2*) (resid  20 and name  HG*)  3.80  2.00  2.00
assign (resid  22 and name HG2*) (resid  21 and name   HA)  3.65  1.85  1.85
assign (resid  22 and name HG2*) (resid  22 and name   HA)  2.90  1.10  1.10
assign (resid  22 and name HG2*) (resid  30 and name   HA)  3.65  1.85  1.85
assign (resid  22 and name HG2*) (resid  31 and name  HB1)  3.65  1.85  1.85
assign (resid  22 and name HG2*) (resid  31 and name  HB2)  2.90  1.10  1.10
assign (resid  22 and name   HN) (resid  21 and name   HA)  2.30  0.50  0.50
assign (resid  22 and name   HN) (resid  21 and name  HB1)  3.40  1.60  1.60
assign (resid  22 and name   HN) (resid  21 and name  HB2)  3.40  1.60  1.60
assign (resid  22 and name   HN) (resid  21 and name  HG*)  3.55  1.75  1.75
assign (resid  22 and name   HN) (resid  22 and name   HA)  2.65  0.85  0.85
assign (resid  22 and name   HN) (resid  22 and name   HB)  2.65  0.85  0.85
assign (resid  22 and name   HN) (resid  22 and name HG2*)  2.90  1.10  1.10
assign (resid  22 and name   HN) (resid  28 and name HG2*)  4.15  2.35  2.35
assign (resid  22 and name   HN) (resid  29 and name   HN)  2.65  0.85  0.85
assign (resid  22 and name   HN) (resid  30 and name   HA)  3.40  1.60  1.60

!23 GLN
assign (resid  23 and name   HA) (resid  28 and name   HB)  3.40  1.60  1.60
assign (resid  23 and name  HB1) (resid  23 and name   HA)  2.65  0.85  0.85
assign (resid  23 and name  HB2) (resid  23 and name   HA)  2.65  0.85  0.85
assign (resid  23 and name  HB2) (resid  28 and name HG2*)  4.15  2.35  2.35
assign (resid  23 and name HE22) (resid  23 and name  HG*)  3.55  1.75  1.75
assign (resid  23 and name HE22) (resid  28 and name HG2*)  4.15  2.35  2.35
assign (resid  23 and name  HG*) (resid  23 and name   HA)  2.80  1.00  1.00
assign (resid  23 and name  HG*) (resid  28 and name   HA)  3.55  1.75  1.75
assign (resid  23 and name   HN) (resid  22 and name   HA)  2.30  0.50  0.50
assign (resid  23 and name   HN) (resid  22 and name   HB)  2.65  0.85  0.85
assign (resid  23 and name   HN) (resid  22 and name HG1*)  2.90  1.10  1.10
assign (resid  23 and name   HN) (resid  23 and name   HA)  2.65  0.85  0.85
assign (resid  23 and name   HN) (resid  23 and name  HB1)  2.65  0.85  0.85
assign (resid  23 and name   HN) (resid  23 and name  HB2)  2.65  0.85  0.85
assign (resid  23 and name   HN) (resid  23 and name  HG*)  3.55  1.75  1.75

!24 ASP
assign (resid  24 and name  HB1) (resid  22 and name HG1*)  4.15  2.35  2.35
assign (resid  24 and name  HB1) (resid  24 and name   HA)  2.30  0.50  0.50
assign (resid  24 and name  HB2) (resid  22 and name HG1*)  3.65  1.85  1.85
assign (resid  24 and name  HB2) (resid  24 and name   HA)  2.30  0.50  0.50
assign (resid  24 and name   HN) (resid  22 and name HG1*)  3.65  1.85  1.85
assign (resid  24 and name   HN) (resid  23 and name   HA)  2.30  0.50  0.50
assign (resid  24 and name   HN) (resid  23 and name  HB1)  3.40  1.60  1.60
assign (resid  24 and name   HN) (resid  23 and name  HB2)  3.40  1.60  1.60
assign (resid  24 and name   HN) (resid  23 and name  HG*)  3.55  1.75  1.75
assign (resid  24 and name   HN) (resid  24 and name  HB1)  2.65  0.85  0.85
assign (resid  24 and name   HN) (resid  24 and name  HB2)  2.65  0.85  0.85
assign (resid  24 and name   HN) (resid  27 and name   HN)  2.65  0.85  0.85
assign (resid  24 and name   HN) (resid  28 and name   HA)  2.65  0.85  0.85
assign (resid  24 and name   HN) (resid  29 and name  HE*)  3.65  1.85  1.85

!25 THR
assign (resid  25 and name   HB) (resid  25 and name   HA)  2.30  0.50  0.50
assign (resid  25 and name   HB) (resid  25 and name HG2*)  2.90  1.10  1.10
assign (resid  25 and name HG2*) (resid  25 and name   HA)  2.90  1.10  1.10
assign (resid  25 and name   HN) (resid  24 and name   HA)  3.40  1.60  1.60
assign (resid  25 and name   HN) (resid  24 and name  HB1)  3.40  1.60  1.60

!26 SER
assign (resid  26 and name  HB1) (resid  26 and name   HA)  2.30  0.50  0.50
assign (resid  26 and name  HB2) (resid  26 and name   HA)  2.65  0.85  0.85
assign (resid  26 and name   HN) (resid  26 and name   HA)  2.65  0.85  0.85
assign (resid  26 and name   HN) (resid  26 and name  HB1)  2.65  0.85  0.85
assign (resid  26 and name   HN) (resid  26 and name  HB2)  2.65  0.85  0.85
assign (resid  26 and name   HN) (resid  27 and name   HN)  2.65  0.85  0.85

!27 GLY
assign (resid  27 and name   HN) (resid  24 and name  HB2)  3.40  1.60  1.60
assign (resid  27 and name   HN) (resid  26 and name   HA)  2.65  0.85  0.85
assign (resid  27 and name   HN) (resid  26 and name  HB1)  2.65  0.85  0.85
assign (resid  27 and name   HN) (resid  27 and name  HA1)  2.65  0.85  0.85
assign (resid  27 and name   HN) (resid  27 and name  HA2)  2.30  0.50  0.50

!28 THR
assign (resid  28 and name   HA) (resid  22 and name HG1*)  4.15  2.35  2.35
assign (resid  28 and name   HA) (resid  23 and name   HA)  2.30  0.50  0.50
assign (resid  28 and name   HA) (resid  23 and name  HB2)  3.40  1.60  1.60
assign (resid  28 and name   HB) (resid  28 and name   HA)  2.65  0.85  0.85
assign (resid  28 and name HG2*) (resid  21 and name  HD1)  3.65  1.85  1.85
assign (resid  28 and name HG2*) (resid  21 and name  HD2)  3.65  1.85  1.85
assign (resid  28 and name HG2*) (resid  23 and name   HA)  3.65  1.85  1.85
assign (resid  28 and name HG2*) (resid  23 and name  HG*)  3.80  2.00  2.00
assign (resid  28 and name HG2*) (resid  28 and name   HA)  2.90  1.10  1.10
assign (resid  28 and name HG2*) (resid  28 and name   HB)  2.90  1.10  1.10
assign (resid  28 and name   HN) (resid  27 and name  HA1)  2.65  0.85  0.85
assign (resid  28 and name   HN) (resid  27 and name  HA2)  2.30  0.50  0.50
assign (resid  28 and name   HN) (resid  28 and name   HA)  3.40  1.60  1.60
assign (resid  28 and name   HN) (resid  28 and name HG2*)  3.65  1.85  1.85
assign (resid  28 and name   HN) (resid  40 and name  HZ3)  3.40  1.60  1.60

!29 TYR
assign (resid  29 and name   HA) (resid  28 and name HG2*)  3.65  1.85  1.85
assign (resid  29 and name  HB1) (resid  29 and name   HA)  2.65  0.85  0.85
assign (resid  29 and name  HB1) (resid  40 and name   HA)  2.65  0.85  0.85
assign (resid  29 and name  HB2) (resid  29 and name   HA)  2.65  0.85  0.85
assign (resid  29 and name  HB2) (resid  40 and name   HA)  2.65  0.85  0.85
assign (resid  29 and name  HD*) (resid  22 and name   HB)  4.15  2.35  2.35
assign (resid  29 and name  HD*) (resid  22 and name HG1*)  4.40  2.60  2.60
assign (resid  29 and name  HD*) (resid  28 and name   HA)  4.15  2.35  2.35
assign (resid  29 and name  HD*) (resid  29 and name   HA)  3.65  1.85  1.85
assign (resid  29 and name  HD*) (resid  29 and name  HB1)  3.65  1.85  1.85
assign (resid  29 and name  HD*) (resid  29 and name  HB2)  3.65  1.85  1.85
assign (resid  29 and name  HD*) (resid  31 and name  HB2)  4.15  2.35  2.35
assign (resid  29 and name  HD*) (resid  38 and name   HB)  3.65  1.85  1.85
assign (resid  29 and name  HD*) (resid  38 and name HG2*)  3.90  2.10  2.10
assign (resid  29 and name  HD*) (resid  40 and name  HZ3)  4.15  2.35  2.35
assign (resid  29 and name  HE*) (resid  22 and name   HB)  3.65  1.85  1.85
assign (resid  29 and name  HE*) (resid  22 and name HG1*)  3.90  2.10  2.10
assign (resid  29 and name  HE*) (resid  24 and name  HB1)  4.15  2.35  2.35
assign (resid  29 and name  HE*) (resid  29 and name  HB1)  4.15  2.35  2.35
assign (resid  29 and name  HE*) (resid  29 and name  HB2)  4.15  2.35  2.35
assign (resid  29 and name  HE*) (resid  31 and name  HB1)  4.15  2.35  2.35
assign (resid  29 and name  HE*) (resid  31 and name  HB2)  3.65  1.85  1.85
assign (resid  29 and name  HE*) (resid  31 and name  HE3)  4.15  2.35  2.35
assign (resid  29 and name  HE*) (resid  38 and name   HB)  3.65  1.85  1.85
assign (resid  29 and name  HE*) (resid  38 and name HG2*)  3.90  2.10  2.10
assign (resid  29 and name   HN) (resid  21 and name  HG*)  3.55  1.75  1.75
assign (resid  29 and name   HN) (resid  22 and name   HB)  2.65  0.85  0.85
assign (resid  29 and name   HN) (resid  22 and name HG1*)  3.65  1.85  1.85
assign (resid  29 and name   HN) (resid  23 and name   HA)  2.65  0.85  0.85
assign (resid  29 and name   HN) (resid  28 and name   HA)  2.30  0.50  0.50
assign (resid  29 and name   HN) (resid  28 and name   HB)  3.40  1.60  1.60
assign (resid  29 and name   HN) (resid  28 and name HG2*)  2.90  1.10  1.10
assign (resid  29 and name   HN) (resid  29 and name   HA)  2.65  0.85  0.85
assign (resid  29 and name   HN) (resid  29 and name  HB1)  3.40  1.60  1.60
assign (resid  29 and name   HN) (resid  29 and name  HB2)  3.40  1.60  1.60
assign (resid  29 and name   HN) (resid  29 and name  HD*)  3.65  1.85  1.85

!30 TYR
assign (resid  30 and name   HA) (resid  21 and name   HA)  2.65  0.85  0.85
assign (resid  30 and name  HB1) (resid  15 and name HD1*)  4.15  2.35  2.35
assign (resid  30 and name  HB1) (resid  15 and name   HG)  3.40  1.60  1.60
assign (resid  30 and name  HB1) (resid  30 and name   HA)  2.65  0.85  0.85
assign (resid  30 and name  HB2) (resid  30 and name   HA)  2.65  0.85  0.85
assign (resid  30 and name  HD*) (resid  15 and name HD1*)  4.40  2.60  2.60
assign (resid  30 and name  HD*) (resid  15 and name   HG)  3.65  1.85  1.85
assign (resid  30 and name  HD*) (resid  19 and name  HE3)  4.15  2.35  2.35
assign (resid  30 and name  HD*) (resid  21 and name   HA)  3.65  1.85  1.85
assign (resid  30 and name  HD*) (resid  21 and name  HB2)  4.15  2.35  2.35
assign (resid  30 and name  HD*) (resid  29 and name   HA)  3.65  1.85  1.85
assign (resid  30 and name  HD*) (resid  30 and name   HA)  3.65  1.85  1.85
assign (resid  30 and name  HD*) (resid  30 and name  HB1)  3.65  1.85  1.85
assign (resid  30 and name  HD*) (resid  30 and name  HB2)  3.65  1.85  1.85
assign (resid  30 and name  HD*) (resid  40 and name   HA)  3.65  1.85  1.85
assign (resid  30 and name  HD*) (resid  43 and name  HD1)  4.15  2.35  2.35
assign (resid  30 and name  HD*) (resid  43 and name  HD2)  4.15  2.35  2.35
assign (resid  30 and name  HE*) (resid  15 and name HD1*)  3.90  2.10  2.10
assign (resid  30 and name  HE*) (resid  15 and name   HG)  3.65  1.85  1.85
assign (resid  30 and name  HE*) (resid  21 and name   HA)  3.65  1.85  1.85
assign (resid  30 and name  HE*) (resid  21 and name  HB1)  4.15  2.35  2.35
assign (resid  30 and name  HE*) (resid  21 and name  HB2)  3.65  1.85  1.85
assign (resid  30 and name  HE*) (resid  21 and name  HD1)  4.15  2.35  2.35
assign (resid  30 and name  HE*) (resid  21 and name  HD2)  3.65  1.85  1.85
assign (resid  30 and name  HE*) (resid  21 and name  HG*)  3.80  2.00  2.00
assign (resid  30 and name  HE*) (resid  28 and name HG2*)  4.40  2.60  2.60
assign (resid  30 and name  HE*) (resid  29 and name   HA)  3.65  1.85  1.85
assign (resid  30 and name  HE*) (resid  30 and name   HA)  4.15  2.35  2.35
assign (resid  30 and name  HE*) (resid  30 and name  HB2)  4.15  2.35  2.35
assign (resid  30 and name  HE*) (resid  41 and name   HA)  4.15  2.35  2.35
assign (resid  30 and name  HE*) (resid  42 and name   HA)  3.65  1.85  1.85
assign (resid  30 and name  HE*) (resid  42 and name  HB1)  3.65  1.85  1.85
assign (resid  30 and name  HE*) (resid  42 and name  HD1)  3.65  1.85  1.85
assign (resid  30 and name  HE*) (resid  42 and name  HD2)  4.15  2.35  2.35
assign (resid  30 and name  HE*) (resid  42 and name  HG*)  4.30  2.50  2.50
assign (resid  30 and name   HN) (resid  29 and name   HA)  2.65  0.85  0.85
assign (resid  30 and name   HN) (resid  29 and name  HB1)  2.65  0.85  0.85
assign (resid  30 and name   HN) (resid  29 and name  HB2)  2.65  0.85  0.85
assign (resid  30 and name   HN) (resid  29 and name  HD*)  3.65  1.85  1.85
assign (resid  30 and name   HN) (resid  30 and name   HA)  3.40  1.60  1.60
assign (resid  30 and name   HN) (resid  30 and name  HB1)  3.40  1.60  1.60
assign (resid  30 and name   HN) (resid  30 and name  HB2)  2.65  0.85  0.85
assign (resid  30 and name   HN) (resid  30 and name  HD*)  3.65  1.85  1.85
assign (resid  30 and name   HN) (resid  39 and name   HN)  2.65  0.85  0.85

!31 TRP
assign (resid  31 and name  HB1) (resid  20 and name  HG*)  3.55  1.75  1.75
assign (resid  31 and name  HB1) (resid  31 and name   HA)  2.65  0.85  0.85
assign (resid  31 and name  HB2) (resid  20 and name  HB2)  3.40  1.60  1.60
assign (resid  31 and name  HB2) (resid  20 and name  HG*)  3.55  1.75  1.75
assign (resid  31 and name  HB2) (resid  31 and name   HA)  2.65  0.85  0.85
assign (resid  31 and name  HB2) (resid  38 and name   HA)  3.40  1.60  1.60
assign (resid  31 and name  HD1) (resid  31 and name   HA)  3.40  1.60  1.60
assign (resid  31 and name  HD1) (resid  31 and name  HB1)  3.40  1.60  1.60
assign (resid  31 and name  HD1) (resid  31 and name  HB2)  3.40  1.60  1.60
assign (resid  31 and name  HD1) (resid  36 and name  HA2)  3.90  2.10  2.10
assign (resid  31 and name  HD1) (resid  38 and name   HA)  3.40  1.60  1.60
assign (resid  31 and name  HD1) (resid  38 and name HG2*)  3.65  1.85  1.85
assign (resid  31 and name  HE1) (resid  31 and name  HD1)  2.65  0.85  0.85
assign (resid  31 and name  HE1) (resid  31 and name  HZ2)  2.65  0.85  0.85
assign (resid  31 and name  HE1) (resid  33 and name   HA)  2.65  0.85  0.85
assign (resid  31 and name  HE1) (resid  33 and name HG2*)  4.15  2.35  2.35
assign (resid  31 and name  HE1) (resid  36 and name  HA1)  3.40  1.60  1.60
assign (resid  31 and name  HE1) (resid  36 and name  HA2)  2.65  0.85  0.85
assign (resid  31 and name  HE3) (resid  20 and name  HB1)  3.40  1.60  1.60
assign (resid  31 and name  HE3) (resid  20 and name  HB2)  3.40  1.60  1.60
assign (resid  31 and name  HE3) (resid  20 and name  HG*)  4.05  2.25  2.25
assign (resid  31 and name  HE3) (resid  22 and name HG2*)  3.65  1.85  1.85
assign (resid  31 and name  HE3) (resid  29 and name  HE*)  4.15  2.35  2.35
assign (resid  31 and name  HE3) (resid  31 and name  HB1)  3.40  1.60  1.60
assign (resid  31 and name  HE3) (resid  31 and name  HB2)  3.40  1.60  1.60
assign (resid  31 and name  HE3) (resid  33 and name HD1*)  4.15  2.35  2.35
assign (resid  31 and name  HH2) (resid  33 and name HD1*)  4.15  2.35  2.35
assign (resid  31 and name  HH2) (resid  33 and name HG2*)  4.15  2.35  2.35
assign (resid  31 and name   HN) (resid  19 and name  HE3)  3.40  1.60  1.60
assign (resid  31 and name   HN) (resid  21 and name   HA)  3.40  1.60  1.60
assign (resid  31 and name   HN) (resid  22 and name HG2*)  4.15  2.35  2.35
assign (resid  31 and name   HN) (resid  30 and name   HA)  2.65  0.85  0.85
assign (resid  31 and name   HN) (resid  30 and name  HB1)  3.40  1.60  1.60
assign (resid  31 and name   HN) (resid  30 and name  HD*)  4.15  2.35  2.35
assign (resid  31 and name   HN) (resid  31 and name   HA)  3.40  1.60  1.60
assign (resid  31 and name   HN) (resid  31 and name  HB1)  2.65  0.85  0.85
assign (resid  31 and name   HN) (resid  31 and name  HB2)  2.65  0.85  0.85
assign (resid  31 and name  HZ2) (resid  33 and name   HA)  3.90  2.10  2.10
assign (resid  31 and name  HZ2) (resid  33 and name HD1*)  4.15  2.35  2.35
assign (resid  31 and name  HZ2) (resid  33 and name HG12)  3.90  2.10  2.10
assign (resid  31 and name  HZ2) (resid  33 and name HG2*)  4.15  2.35  2.35
assign (resid  31 and name  HZ3) (resid  22 and name HG2*)  4.15  2.35  2.35
assign (resid  31 and name  HZ3) (resid  33 and name HD1*)  4.15  2.35  2.35

!32 HIS
assign (resid  32 and name   HA) (resid  19 and name  HB1)  3.40  1.60  1.60
assign (resid  32 and name  HB2) (resid  32 and name   HA)  2.65  0.85  0.85
assign (resid  32 and name  HB2) (resid  37 and name HG2*)  4.15  2.35  2.35
assign (resid  32 and name  HB1) (resid  32 and name   HA)  2.65  0.85  0.85
assign (resid  32 and name  HB1) (resid  37 and name HG2*)  3.65  1.85  1.85
assign (resid  32 and name  HD2) (resid  32 and name  HB1)  3.40  1.60  1.60
assign (resid  32 and name  HD2) (resid  34 and name  HB2)  3.40  1.60  1.60
assign (resid  32 and name  HD2) (resid  34 and name  HG1)  3.40  1.60  1.60
assign (resid  32 and name  HD2) (resid  35 and name HG2*)  3.65  1.85  1.85
assign (resid  32 and name   HN) (resid  31 and name   HA)  2.30  0.50  0.50
assign (resid  32 and name   HN) (resid  31 and name  HB1)  3.40  1.60  1.60
assign (resid  32 and name   HN) (resid  31 and name  HB2)  3.40  1.60  1.60
assign (resid  32 and name   HN) (resid  31 and name  HD1)  2.65  0.85  0.85
assign (resid  32 and name   HN) (resid  32 and name   HA)  2.65  0.85  0.85
assign (resid  32 and name   HN) (resid  32 and name  HB2)  2.65  0.85  0.85
assign (resid  32 and name   HN) (resid  32 and name  HB1)  2.65  0.85  0.85
assign (resid  32 and name   HN) (resid  37 and name   HN)  3.40  1.60  1.60
assign (resid  32 and name   HN) (resid  38 and name   HA)  3.40  1.60  1.60
assign (resid  32 and name   HN) (resid  38 and name HG2*)  4.15  2.35  2.35

!33 ILE
assign (resid  33 and name   HA) (resid  33 and name   HB)  2.65  0.85  0.85
assign (resid  33 and name   HA) (resid  33 and name HG11)  2.65  0.85  0.85
assign (resid  33 and name   HA) (resid  33 and name HG12)  2.65  0.85  0.85
assign (resid  33 and name   HA) (resid  34 and name  HD*)  3.55  1.75  1.75
assign (resid  33 and name   HB) (resid  33 and name HG11)  2.65  0.85  0.85
assign (resid  33 and name   HB) (resid  33 and name HG12)  3.40  1.60  1.60
assign (resid  33 and name   HB) (resid  34 and name  HD*)  2.80  1.00  1.00
assign (resid  33 and name HD1*) (resid  20 and name  HB1)  3.65  1.85  1.85
assign (resid  33 and name HD1*) (resid  20 and name  HB2)  3.65  1.85  1.85
assign (resid  33 and name HD1*) (resid  20 and name  HG*)  3.80  2.00  2.00
assign (resid  33 and name HD1*) (resid  33 and name   HA)  3.65  1.85  1.85
assign (resid  33 and name HD1*) (resid  33 and name   HB)  3.65  1.85  1.85
assign (resid  33 and name HG11) (resid  20 and name  HG*)  3.55  1.75  1.75
assign (resid  33 and name HG11) (resid  33 and name HG2*)  3.65  1.85  1.85
assign (resid  33 and name HG12) (resid  20 and name  HG*)  4.05  2.25  2.25
assign (resid  33 and name HG2*) (resid  33 and name   HA)  2.90  1.10  1.10
assign (resid  33 and name HG2*) (resid  33 and name   HB)  2.90  1.10  1.10
assign (resid  33 and name HG2*) (resid  33 and name HG12)  3.65  1.85  1.85
assign (resid  33 and name HG2*) (resid  34 and name   HA)  3.65  1.85  1.85
assign (resid  33 and name   HN) (resid  19 and name   HA)  2.65  0.85  0.85
assign (resid  33 and name   HN) (resid  32 and name   HA)  2.30  0.50  0.50
assign (resid  33 and name   HN) (resid  33 and name   HA)  2.65  0.85  0.85
assign (resid  33 and name   HN) (resid  33 and name   HB)  2.30  0.50  0.50
assign (resid  33 and name   HN) (resid  33 and name HD1*)  3.65  1.85  1.85
assign (resid  33 and name   HN) (resid  33 and name HG11)  2.65  0.85  0.85
assign (resid  33 and name   HN) (resid  33 and name HG12)  2.65  0.85  0.85
assign (resid  33 and name   HN) (resid  33 and name HG2*)  3.65  1.85  1.85
assign (resid  33 and name   HN) (resid  34 and name  HD*)  2.80  1.00  1.00

!34 PRO
assign (resid  34 and name  HD*) (resid  18 and name  HA1)  3.55  1.75  1.75
assign (resid  34 and name  HD*) (resid  33 and name HG2*)  3.80  2.00  2.00
assign (resid  34 and name  HG1) (resid  33 and name HG2*)  4.15  2.35  2.35

!35 THR
assign (resid  35 and name   HB) (resid  35 and name   HA)  2.30  0.50  0.50
assign (resid  35 and name HG2*) (resid  35 and name   HA)  2.90  1.10  1.10
assign (resid  35 and name HG2*) (resid  35 and name   HB)  2.90  1.10  1.10
assign (resid  35 and name   HN) (resid  34 and name   HA)  3.40  1.60  1.60
assign (resid  35 and name   HN) (resid  34 and name  HB1)  3.40  1.60  1.60
assign (resid  35 and name   HN) (resid  34 and name  HB2)  3.40  1.60  1.60
assign (resid  35 and name   HN) (resid  35 and name   HA)  3.40  1.60  1.60
assign (resid  35 and name   HN) (resid  35 and name HG2*)  3.65  1.85  1.85
assign (resid  35 and name   HN) (resid  36 and name   HN)  2.65  0.85  0.85

!36 GLY
assign (resid  36 and name   HN) (resid  31 and name  HE1)  3.40  1.60  1.60
assign (resid  36 and name   HN) (resid  32 and name  HB1)  3.40  1.60  1.60
assign (resid  36 and name   HN) (resid  33 and name   HA)  3.40  1.60  1.60
assign (resid  36 and name   HN) (resid  35 and name   HA)  3.40  1.60  1.60
assign (resid  36 and name   HN) (resid  35 and name   HB)  3.40  1.60  1.60
assign (resid  36 and name   HN) (resid  35 and name HG2*)  3.65  1.85  1.85
assign (resid  36 and name   HN) (resid  36 and name  HA1)  2.65  0.85  0.85
assign (resid  36 and name   HN) (resid  36 and name  HA2)  2.30  0.50  0.50

!37 THR
assign (resid  37 and name   HA) (resid  37 and name HG2*)  2.90  1.10  1.10
assign (resid  37 and name   HB) (resid  32 and name  HB2)  2.65  0.85  0.85
assign (resid  37 and name   HB) (resid  32 and name  HB1)  2.65  0.85  0.85
assign (resid  37 and name   HB) (resid  37 and name   HA)  2.65  0.85  0.85
assign (resid  37 and name HG2*) (resid  37 and name   HB)  2.90  1.10  1.10
assign (resid  37 and name HG2*) (resid  38 and name   HA)  3.65  1.85  1.85
assign (resid  37 and name   HN) (resid  32 and name  HB2)  3.40  1.60  1.60
assign (resid  37 and name   HN) (resid  32 and name  HB1)  2.65  0.85  0.85
assign (resid  37 and name   HN) (resid  36 and name  HA1)  2.65  0.85  0.85
assign (resid  37 and name   HN) (resid  36 and name  HA2)  3.40  1.60  1.60
assign (resid  37 and name   HN) (resid  36 and name   HN)  2.65  0.85  0.85
assign (resid  37 and name   HN) (resid  37 and name   HB)  2.65  0.85  0.85
assign (resid  37 and name   HN) (resid  37 and name HG2*)  3.65  1.85  1.85

!38 THR
assign (resid  38 and name   HA) (resid  31 and name   HA)  2.65  0.85  0.85
assign (resid  38 and name   HA) (resid  32 and name  HB1)  3.40  1.60  1.60
assign (resid  38 and name   HB) (resid  31 and name   HA)  3.40  1.60  1.60
assign (resid  38 and name   HB) (resid  38 and name   HA)  2.65  0.85  0.85
assign (resid  38 and name HG2*) (resid  31 and name   HA)  2.90  1.10  1.10
assign (resid  38 and name HG2*) (resid  31 and name  HB1)  3.65  1.85  1.85
assign (resid  38 and name HG2*) (resid  31 and name  HB2)  3.65  1.85  1.85
assign (resid  38 and name HG2*) (resid  37 and name   HA)  4.15  2.35  2.35
assign (resid  38 and name HG2*) (resid  38 and name   HA)  2.90  1.10  1.10
assign (resid  38 and name HG2*) (resid  38 and name   HB)  2.90  1.10  1.10
assign (resid  38 and name   HN) (resid  37 and name   HA)  2.30  0.50  0.50
assign (resid  38 and name   HN) (resid  37 and name   HB)  2.65  0.85  0.85
assign (resid  38 and name   HN) (resid  37 and name HG2*)  2.90  1.10  1.10
assign (resid  38 and name   HN) (resid  38 and name   HA)  2.65  0.85  0.85
assign (resid  38 and name   HN) (resid  38 and name HG2*)  3.65  1.85  1.85

!39 GLN
assign (resid  39 and name  HB1) (resid  39 and name   HA)  2.65  0.85  0.85
assign (resid  39 and name  HB2) (resid  39 and name   HA)  2.65  0.85  0.85
assign (resid  39 and name HE21) (resid  39 and name  HG1)  2.65  0.85  0.85
assign (resid  39 and name HE21) (resid  39 and name  HG2)  2.30  0.50  0.50
assign (resid  39 and name HE22) (resid  39 and name  HG1)  3.40  1.60  1.60
assign (resid  39 and name  HG1) (resid  39 and name   HA)  2.65  0.85  0.85
assign (resid  39 and name  HG2) (resid  39 and name   HA)  2.65  0.85  0.85
assign (resid  39 and name   HN) (resid  19 and name  HZ3)  3.40  1.60  1.60
assign (resid  39 and name   HN) (resid  29 and name  HD*)  4.15  2.35  2.35
assign (resid  39 and name   HN) (resid  30 and name  HB2)  3.40  1.60  1.60
assign (resid  39 and name   HN) (resid  31 and name   HA)  3.40  1.60  1.60
assign (resid  39 and name   HN) (resid  38 and name   HA)  2.65  0.85  0.85
assign (resid  39 and name   HN) (resid  38 and name   HB)  2.65  0.85  0.85
assign (resid  39 and name   HN) (resid  38 and name HG2*)  3.65  1.85  1.85
assign (resid  39 and name   HN) (resid  39 and name   HA)  3.40  1.60  1.60
assign (resid  39 and name   HN) (resid  39 and name  HB1)  3.40  1.60  1.60
assign (resid  39 and name   HN) (resid  39 and name  HG1)  2.65  0.85  0.85

!40 TRP
assign (resid  40 and name   HA) (resid  29 and name   HA)  2.65  0.85  0.85
assign (resid  40 and name   HA) (resid  40 and name  HB1)  2.65  0.85  0.85
assign (resid  40 and name   HA) (resid  40 and name  HB2)  2.65  0.85  0.85
assign (resid  40 and name  HD1) (resid  40 and name  HB1)  3.40  1.60  1.60
assign (resid  40 and name  HD1) (resid  40 and name  HB2)  3.40  1.60  1.60
assign (resid  40 and name  HE3) (resid  29 and name   HA)  3.40  1.60  1.60
assign (resid  40 and name  HE3) (resid  29 and name  HB1)  3.40  1.60  1.60
assign (resid  40 and name  HE3) (resid  40 and name   HA)  3.40  1.60  1.60
assign (resid  40 and name  HE3) (resid  40 and name  HB1)  3.40  1.60  1.60
assign (resid  40 and name  HE3) (resid  40 and name  HB2)  3.40  1.60  1.60
assign (resid  40 and name  HH2) (resid  26 and name  HB1)  3.90  2.10  2.10
assign (resid  40 and name  HH2) (resid  26 and name  HB2)  3.40  1.60  1.60
assign (resid  40 and name   HN) (resid  39 and name   HA)  2.65  0.85  0.85
assign (resid  40 and name   HN) (resid  39 and name  HB1)  3.40  1.60  1.60
assign (resid  40 and name   HN) (resid  39 and name  HB2)  2.65  0.85  0.85
assign (resid  40 and name   HN) (resid  40 and name  HB1)  3.40  1.60  1.60
assign (resid  40 and name   HN) (resid  40 and name  HB2)  2.65  0.85  0.85
assign (resid  40 and name   HN) (resid  40 and name  HD1)  3.40  1.60  1.60
assign (resid  40 and name   HN) (resid  41 and name   HN)  2.65  0.85  0.85
assign (resid  40 and name  HZ3) (resid  27 and name  HA1)  3.40  1.60  1.60
assign (resid  40 and name  HZ3) (resid  29 and name  HB1)  3.40  1.60  1.60
assign (resid  40 and name  HZ3) (resid  29 and name  HD*)  4.15  2.35  2.35

!41 GLU
assign (resid  41 and name  HB1) (resid  41 and name   HA)  2.65  0.85  0.85
assign (resid  41 and name  HB1) (resid  42 and name  HD1)  3.40  1.60  1.60
assign (resid  41 and name  HB1) (resid  42 and name  HD2)  2.65  0.85  0.85
assign (resid  41 and name  HB2) (resid  41 and name   HA)  2.65  0.85  0.85
assign (resid  41 and name  HB2) (resid  42 and name  HD1)  3.40  1.60  1.60
assign (resid  41 and name  HB2) (resid  42 and name  HD2)  2.65  0.85  0.85
assign (resid  41 and name  HG1) (resid  41 and name   HA)  2.65  0.85  0.85
assign (resid  41 and name  HG2) (resid  41 and name   HA)  2.65  0.85  0.85
assign (resid  41 and name  HG2) (resid  42 and name  HD1)  3.40  1.60  1.60
assign (resid  41 and name   HN) (resid  30 and name  HD*)  3.65  1.85  1.85
assign (resid  41 and name   HN) (resid  40 and name  HB2)  2.65  0.85  0.85
assign (resid  41 and name   HN) (resid  40 and name  HD1)  3.40  1.60  1.60
assign (resid  41 and name   HN) (resid  41 and name   HA)  2.65  0.85  0.85
assign (resid  41 and name   HN) (resid  41 and name  HB2)  2.30  0.50  0.50
assign (resid  41 and name   HN) (resid  41 and name  HG1)  2.65  0.85  0.85
assign (resid  41 and name   HN) (resid  41 and name  HG2)  2.65  0.85  0.85

!42 PRO
assign (resid  42 and name   HA) (resid  15 and name HD1*)  4.15  2.35  2.35
assign (resid  42 and name  HB1) (resid  15 and name HD1*)  4.15  2.35  2.35
assign (resid  42 and name  HD1) (resid  41 and name   HA)  2.30  0.50  0.50
assign (resid  42 and name  HD2) (resid  41 and name   HA)  2.30  0.50  0.50

!43 PRO
assign (resid  43 and name  HB2) (resid  16 and name  HD2)  3.40  1.60  1.60
assign (resid  43 and name  HB2) (resid  16 and name  HG2)  3.40  1.60  1.60
assign (resid  43 and name  HD1) (resid  16 and name  HD2)  3.40  1.60  1.60
assign (resid  43 and name  HD1) (resid  42 and name   HA)  2.65  0.85  0.85
assign (resid  43 and name  HD2) (resid  16 and name  HD2)  3.40  1.60  1.60
assign (resid  43 and name  HD2) (resid  42 and name   HA)  2.65  0.85  0.85
assign (resid  43 and name  HD2) (resid  42 and name  HB1)  3.40  1.60  1.60
assign (resid  43 and name  HD2) (resid  42 and name  HB2)  3.40  1.60  1.60
assign (resid  43 and name  HG2) (resid  16 and name  HD2)  3.40  1.60  1.60

!44 GLY
assign (resid  44 and name   HN) (resid  43 and name  HB1)  3.40  1.60  1.60
assign (resid  44 and name   HN) (resid  43 and name  HB2)  3.40  1.60  1.60
assign (resid  44 and name   HN) (resid  44 and name  HA*)  2.80  1.00  1.00

!45 ARG
assign (resid  45 and name   HA) (resid  45 and name  HD*)  3.55  1.75  1.75
assign (resid  45 and name  HB1) (resid  45 and name   HA)  2.65  0.85  0.85
assign (resid  45 and name  HB2) (resid  45 and name   HA)  2.65  0.85  0.85
assign (resid  45 and name  HB2) (resid  45 and name  HD*)  3.55  1.75  1.75
assign (resid  45 and name  HD*) (resid  45 and name  HB1)  3.55  1.75  1.75
assign (resid  45 and name  HD*) (resid  45 and name  HG*)  2.95  1.15  1.15
assign (resid  45 and name  HG*) (resid  45 and name   HA)  2.80  1.00  1.00
assign (resid  45 and name  HG*) (resid  45 and name  HB1)  2.80  1.00  1.00
assign (resid  45 and name   HN) (resid  44 and name  HA*)  2.80  1.00  1.00
assign (resid  45 and name   HN) (resid  45 and name   HA)  2.65  0.85  0.85
assign (resid  45 and name   HN) (resid  45 and name  HB1)  2.65  0.85  0.85
assign (resid  45 and name   HN) (resid  45 and name  HB2)  2.65  0.85  0.85

!46 ALA
assign (resid  46 and name   HN) (resid  45 and name   HA)  2.65  0.85  0.85
assign (resid  46 and name   HN) (resid  45 and name  HB1)  3.40  1.60  1.60
assign (resid  46 and name   HN) (resid  45 and name  HB2)  3.40  1.60  1.60
assign (resid  46 and name   HN) (resid  46 and name  HB*)  3.65  1.85  1.85

!47 SER
assign (resid  47 and name   HA) (resid  47 and name  HB2)  2.30  0.50  0.50
assign (resid  47 and name   HN) (resid  46 and name   HA)  2.65  0.85  0.85
assign (resid  47 and name   HN) (resid  46 and name  HB*)  4.15  2.35  2.35
assign (resid  47 and name   HN) (resid  47 and name  HB2)  3.40  1.60  1.60

!49 SER
assign (resid  49 and name   HA) (resid  49 and name  HB*)  3.55  1.75  1.75
assign (resid  49 and name   HN) (resid  48 and name   HA)  2.65  0.85  0.85

!50 GLN
assign (resid  50 and name   HN) (resid  49 and name   HA)  2.65  0.85  0.85
assign (resid  50 and name   HN) (resid  50 and name  HB2)  3.40  1.60  1.60


!dihedral restraints derived from HNHA experiment
assign (resid  14 and name    C) (resid  15 and name    N)
       (resid  15 and name   CA) (resid  15 and name    C)  1.0  -83.5   16.5 2
assign (resid  18 and name    C) (resid  19 and name    N)
       (resid  19 and name   CA) (resid  19 and name    C)  1.0  -99.5   20.5 2
assign (resid  19 and name    C) (resid  20 and name    N)
       (resid  20 and name   CA) (resid  20 and name    C)  1.0 -103.0   17.0 2
assign (resid  20 and name    C) (resid  21 and name    N)
       (resid  21 and name   CA) (resid  21 and name    C)  1.0  -97.5   22.5 2
assign (resid  21 and name    C) (resid  22 and name    N)
       (resid  22 and name   CA) (resid  22 and name    C)  1.0 -101.0   19.0 2
assign (resid  22 and name    C) (resid  23 and name    N)
       (resid  23 and name   CA) (resid  23 and name    C)  1.0  -98.5   21.5 2
assign (resid  27 and name    C) (resid  28 and name    N)
       (resid  28 and name   CA) (resid  28 and name    C)  1.0  -99.5   20.5 2
assign (resid  28 and name    C) (resid  29 and name    N)
       (resid  29 and name   CA) (resid  29 and name    C)  1.0  -92.5   21.5 2
assign (resid  30 and name    C) (resid  31 and name    N)
       (resid  31 and name   CA) (resid  31 and name    C)  1.0 -104.5   15.5 2
assign (resid  31 and name    C) (resid  32 and name    N)
       (resid  32 and name   CA) (resid  32 and name    C)  1.0  -98.5   21.5 2
assign (resid  32 and name    C) (resid  33 and name    N)
       (resid  33 and name   CA) (resid  33 and name    C)  1.0  -56.5   11.5 2
assign (resid  34 and name    C) (resid  35 and name    N)
       (resid  35 and name   CA) (resid  35 and name    C)  1.0 -103.5   16.5 2
assign (resid  36 and name    C) (resid  37 and name    N)
       (resid  37 and name   CA) (resid  37 and name    C)  1.0  -73.0   14.0 2
assign (resid  37 and name    C) (resid  38 and name    N)
       (resid  38 and name   CA) (resid  38 and name    C)  1.0  -98.0   22.0 2
assign (resid  38 and name    C) (resid  39 and name    N)
       (resid  39 and name   CA) (resid  39 and name    C)  1.0 -158.5   16.5 2
assign (resid  39 and name    C) (resid  40 and name    N)
       (resid  40 and name   CA) (resid  40 and name    C)  1.0 -154.5   17.5 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    ASP   1           H        ASP   1 -16.829   3.808   1.676
    2    HA   ASP   1           HA       ASP   1 -18.957   4.601   2.390
    3   1HB   ASP   1          1HB       ASP   1 -17.486   3.111   4.587
    4   2HB   ASP   1          2HB       ASP   1 -19.217   3.035   4.255
    5    H    SER   2           H        SER   2 -16.311   5.496   4.556
    6    HA   SER   2           HA       SER   2 -18.156   7.391   5.970
    7   1HB   SER   2          1HB       SER   2 -16.295   5.435   6.838
    8   2HB   SER   2          2HB       SER   2 -15.585   7.000   7.224
    9    HG   SER   2           HG       SER   2 -16.928   6.987   8.836
   10    H    PHE   3           H        PHE   3 -17.817   8.925   4.126
   11    HA   PHE   3           HA       PHE   3 -16.765  10.843   3.227
   12   1HB   PHE   3          1HB       PHE   3 -15.940  10.487   5.992
   13   2HB   PHE   3          2HB       PHE   3 -14.672  11.276   5.054
   14    HD1  PHE   3           HD1      PHE   3 -17.614  11.831   6.903
   15    HD2  PHE   3           HD2      PHE   3 -15.566  13.144   3.363
   16    HE1  PHE   3           HE1      PHE   3 -18.894  13.954   6.951
   17    HE2  PHE   3           HE2      PHE   3 -16.846  15.268   3.411
   18    HZ   PHE   3           HZ       PHE   3 -18.510  15.673   5.204
   19    H    TRP   4           H        TRP   4 -15.669   7.959   2.841
   20    HA   TRP   4           HA       TRP   4 -13.877   6.980   1.651
   21   1HB   TRP   4          1HB       TRP   4 -14.327   9.696   0.746
   22   2HB   TRP   4          2HB       TRP   4 -12.623   9.272   0.581
   23    HD1  TRP   4           HD1      TRP   4 -15.958   8.723  -0.973
   24    HE1  TRP   4           HE1      TRP   4 -15.769   7.028  -2.906
   25    HE3  TRP   4           HE3      TRP   4 -11.234   6.967  -0.148
   26    HZ2  TRP   4           HZ2      TRP   4 -13.866   5.172  -3.963
   27    HZ3  TRP   4           HZ3      TRP   4 -10.259   5.237  -1.632
   28    HH2  TRP   4           HH2      TRP   4 -11.568   4.338  -3.536
   29    H    ASN   5           H        ASN   5 -13.251   7.129   4.275
   30    HA   ASN   5           HA       ASN   5 -11.155   8.708   5.224
   31   1HB   ASN   5          1HB       ASN   5 -12.121   5.910   5.614
   32   2HB   ASN   5          2HB       ASN   5 -10.560   6.329   6.322
   33   1HD2  ASN   5          1HD2      ASN   5 -10.729   7.150   8.406
   34   2HD2  ASN   5          2HD2      ASN   5 -12.068   7.993   9.021
   35    HA   PRO   6           HA       PRO   6  -7.565   7.661   2.933
   36   1HB   PRO   6          1HB       PRO   6  -5.633   7.584   4.868
   37   2HB   PRO   6          2HB       PRO   6  -6.379   9.094   4.308
   38   1HG   PRO   6          1HG       PRO   6  -6.929   7.510   6.765
   39   2HG   PRO   6          2HG       PRO   6  -6.884   9.265   6.539
   40   1HD   PRO   6          1HD       PRO   6  -9.195   7.814   6.684
   41   2HD   PRO   6          2HD       PRO   6  -9.051   9.358   5.814
   42    H    ASN   7           H        ASN   7  -8.370   5.645   5.695
   43    HA   ASN   7           HA       ASN   7  -6.540   3.475   4.927
   44   1HB   ASN   7          1HB       ASN   7  -7.745   4.339   7.236
   45   2HB   ASN   7          2HB       ASN   7  -8.770   2.971   6.799
   46   1HD2  ASN   7          1HD2      ASN   7  -5.419   3.886   7.594
   47   2HD2  ASN   7          2HD2      ASN   7  -4.892   2.308   7.928
   48    H    ALA   8           H        ALA   8 -10.068   3.368   5.507
   49    HA   ALA   8           HA       ALA   8 -11.697   1.990   4.461
   50   1HB   ALA   8          1HB       ALA   8 -10.150   3.254   2.177
   51   2HB   ALA   8          2HB       ALA   8 -11.547   3.940   3.008
   52   3HB   ALA   8          3HB       ALA   8 -11.737   2.504   2.001
   53    H    PHE   9           H        PHE   9 -11.552   0.606   1.995
   54    HA   PHE   9           HA       PHE   9  -9.587  -1.545   2.688
   55   1HB   PHE   9          1HB       PHE   9 -12.372  -1.470   2.171
   56   2HB   PHE   9          2HB       PHE   9 -11.635  -2.282   0.789
   57    HD1  PHE   9           HD1      PHE   9  -9.777  -4.068   1.390
   58    HD2  PHE   9           HD2      PHE   9 -12.830  -2.713   4.092
   59    HE1  PHE   9           HE1      PHE   9  -9.485  -6.121   2.750
   60    HE2  PHE   9           HE2      PHE   9 -12.538  -4.767   5.452
   61    HZ   PHE   9           HZ       PHE   9 -10.865  -6.470   4.781
   62    H    GLU  10           H        GLU  10  -8.538   0.616   1.242
   63    HA   GLU  10           HA       GLU  10  -8.706   0.236  -1.626
   64   1HB   GLU  10          1HB       GLU  10  -6.861   1.857  -1.607
   65   2HB   GLU  10          2HB       GLU  10  -8.097   2.343  -0.449
   66   1HG   GLU  10          1HG       GLU  10  -6.728   1.072   1.310
   67   2HG   GLU  10          2HG       GLU  10  -5.432   1.035   0.113
   68    H    THR  11           H        THR  11  -5.968   0.265  -2.328
   69    HA   THR  11           HA       THR  11  -5.352  -2.592  -2.209
   70    HB   THR  11           HB       THR  11  -3.500  -0.471  -3.249
   71    HG1  THR  11           HG1      THR  11  -5.250   0.351  -4.135
   72   1HG2  THR  11          1HG2      THR  11  -2.663  -2.211  -4.404
   73   2HG2  THR  11          2HG2      THR  11  -4.260  -2.633  -5.024
   74   3HG2  THR  11          3HG2      THR  11  -3.726  -3.259  -3.464
   75    H    ASP  12           H        ASP  12  -2.552  -2.554  -2.091
   76    HA   ASP  12           HA       ASP  12  -2.000  -2.724   0.686
   77   1HB   ASP  12          1HB       ASP  12   0.355  -2.834  -0.123
   78   2HB   ASP  12          2HB       ASP  12  -0.723  -3.823  -1.107
   79    H    SER  13           H        SER  13   0.494  -1.223   0.818
   80    HA   SER  13           HA       SER  13  -0.644   1.496   1.296
   81   1HB   SER  13          1HB       SER  13   1.863   1.306   2.492
   82   2HB   SER  13          2HB       SER  13   0.318   1.046   3.297
   83    HG   SER  13           HG       SER  13   1.021  -0.915   3.552
   84    H    ASP  14           H        ASP  14   2.402  -0.015   0.191
   85    HA   ASP  14           HA       ASP  14   2.648   1.647  -2.143
   86   1HB   ASP  14          1HB       ASP  14   2.900   3.222  -0.098
   87   2HB   ASP  14          2HB       ASP  14   4.473   2.456   0.122
   88    H    LEU  15           H        LEU  15   3.051  -1.041  -1.927
   89    HA   LEU  15           HA       LEU  15   5.737  -1.860  -1.279
   90   1HB   LEU  15          1HB       LEU  15   3.351  -2.918  -2.736
   91   2HB   LEU  15          2HB       LEU  15   4.891  -3.724  -3.021
   92    HG   LEU  15           HG       LEU  15   3.552  -4.694  -1.113
   93   1HD1  LEU  15          1HD1      LEU  15   5.839  -5.230  -1.043
   94   2HD1  LEU  15          2HD1      LEU  15   5.566  -4.489   0.534
   95   3HD1  LEU  15          3HD1      LEU  15   6.319  -3.557  -0.760
   96   1HD2  LEU  15          1HD2      LEU  15   4.160  -1.955   0.035
   97   2HD2  LEU  15          2HD2      LEU  15   3.697  -3.335   1.031
   98   3HD2  LEU  15          3HD2      LEU  15   2.576  -2.703  -0.175
   99    HA   PRO  16           HA       PRO  16   7.998  -0.778  -4.881
  100   1HB   PRO  16          1HB       PRO  16   9.333  -3.080  -5.540
  101   2HB   PRO  16          2HB       PRO  16   9.758  -2.083  -4.133
  102   1HG   PRO  16          1HG       PRO  16   8.167  -4.599  -4.258
  103   2HG   PRO  16          2HG       PRO  16   9.367  -4.081  -3.063
  104   1HD   PRO  16          1HD       PRO  16   6.690  -3.940  -2.630
  105   2HD   PRO  16          2HD       PRO  16   7.851  -2.812  -1.896
  106    H    ALA  17           H        ALA  17   8.587  -1.985  -7.235
  107    HA   ALA  17           HA       ALA  17   5.929  -2.364  -8.459
  108   1HB   ALA  17          1HB       ALA  17   7.615  -2.482 -10.512
  109   2HB   ALA  17          2HB       ALA  17   8.748  -1.835  -9.326
  110   3HB   ALA  17          3HB       ALA  17   7.275  -0.946  -9.716
  111    H    GLY  18           H        GLY  18   5.093  -4.384  -8.711
  112   1HA   GLY  18          1HA       GLY  18   5.229  -6.602  -9.702
  113   2HA   GLY  18          2HA       GLY  18   6.951  -6.629  -9.329
  114    H    TRP  19           H        TRP  19   5.288  -5.339  -6.703
  115    HA   TRP  19           HA       TRP  19   5.189  -8.040  -5.397
  116   1HB   TRP  19          1HB       TRP  19   6.257  -5.354  -4.608
  117   2HB   TRP  19          2HB       TRP  19   5.642  -6.414  -3.341
  118    HD1  TRP  19           HD1      TRP  19   8.581  -5.866  -5.565
  119    HE1  TRP  19           HE1      TRP  19  10.318  -7.741  -5.219
  120    HE3  TRP  19           HE3      TRP  19   5.809  -9.135  -2.788
  121    HZ2  TRP  19           HZ2      TRP  19  10.504 -10.294  -3.936
  122    HZ3  TRP  19           HZ3      TRP  19   6.790 -11.280  -2.021
  123    HH2  TRP  19           HH2      TRP  19   9.131 -11.861  -2.590
  124    H    MET  20           H        MET  20   3.268  -8.532  -4.342
  125    HA   MET  20           HA       MET  20   1.182  -6.375  -4.266
  126   1HB   MET  20          1HB       MET  20   0.826  -9.379  -4.410
  127   2HB   MET  20          2HB       MET  20  -0.404  -8.152  -4.690
  128   1HG   MET  20          1HG       MET  20   1.930  -7.752  -6.390
  129   2HG   MET  20          2HG       MET  20   1.200  -9.338  -6.635
  130   1HE   MET  20          1HE       MET  20   0.868  -5.567  -7.791
  131   2HE   MET  20          2HE       MET  20   0.708  -5.748  -6.046
  132   3HE   MET  20          3HE       MET  20  -0.674  -5.214  -7.000
  133    H    ARG  21           H        ARG  21  -0.460  -6.709  -2.510
  134    HA   ARG  21           HA       ARG  21   0.786  -7.865  -0.035
  135   1HB   ARG  21          1HB       ARG  21   0.520  -5.303  -0.377
  136   2HB   ARG  21          2HB       ARG  21  -1.205  -5.595  -0.150
  137   1HG   ARG  21          1HG       ARG  21  -0.636  -6.765   2.014
  138   2HG   ARG  21          2HG       ARG  21   1.025  -6.209   1.805
  139   1HD   ARG  21          1HD       ARG  21   0.506  -4.067   2.405
  140   2HD   ARG  21          2HD       ARG  21  -1.025  -4.093   1.507
  141    HE   ARG  21           HE       ARG  21  -1.819  -5.649   3.432
  142   1HH1  ARG  21          1HH1      ARG  21   1.110  -4.760   4.476
  143   2HH1  ARG  21          2HH1      ARG  21   0.599  -3.805   5.828
  144   1HH2  ARG  21          1HH2      ARG  21  -2.729  -3.733   4.860
  145   2HH2  ARG  21          2HH2      ARG  21  -1.574  -3.225   6.046
  146    H    VAL  22           H        VAL  22  -0.328  -9.809   0.204
  147    HA   VAL  22           HA       VAL  22  -3.295  -9.769  -0.194
  148    HB   VAL  22           HB       VAL  22  -1.453 -12.151   0.052
  149   1HG1  VAL  22          1HG1      VAL  22  -4.250 -11.637  -0.911
  150   2HG1  VAL  22          2HG1      VAL  22  -3.660 -12.903   0.167
  151   3HG1  VAL  22          3HG1      VAL  22  -3.336 -12.996  -1.565
  152   1HG2  VAL  22          1HG2      VAL  22  -1.253 -12.137  -2.388
  153   2HG2  VAL  22          2HG2      VAL  22  -0.648 -10.610  -1.746
  154   3HG2  VAL  22          3HG2      VAL  22  -2.247 -10.684  -2.485
  155    H    GLN  23           H        GLN  23  -4.556 -11.065   1.371
  156    HA   GLN  23           HA       GLN  23  -3.321 -11.087   4.107
  157   1HB   GLN  23          1HB       GLN  23  -5.229  -9.414   3.288
  158   2HB   GLN  23          2HB       GLN  23  -6.265 -10.800   3.628
  159   1HG   GLN  23          1HG       GLN  23  -6.100 -10.469   5.850
  160   2HG   GLN  23          2HG       GLN  23  -4.339 -10.407   5.763
  161   1HE2  GLN  23          1HE2      GLN  23  -4.434  -8.575   7.344
  162   2HE2  GLN  23          2HE2      GLN  23  -4.836  -7.019   6.798
  163    H    ASP  24           H        ASP  24  -2.752 -13.397   3.577
  164    HA   ASP  24           HA       ASP  24  -4.855 -15.328   3.045
  165   1HB   ASP  24          1HB       ASP  24  -2.020 -15.168   3.154
  166   2HB   ASP  24          2HB       ASP  24  -2.518 -16.471   4.231
  167    H    THR  25           H        THR  25  -5.199 -17.199   4.632
  168    HA   THR  25           HA       THR  25  -6.309 -16.280   7.083
  169    HB   THR  25           HB       THR  25  -6.944 -18.350   5.932
  170    HG1  THR  25           HG1      THR  25  -7.086 -18.189   8.265
  171   1HG2  THR  25          1HG2      THR  25  -5.473 -19.990   5.343
  172   2HG2  THR  25          2HG2      THR  25  -4.540 -19.825   6.830
  173   3HG2  THR  25          3HG2      THR  25  -4.284 -18.697   5.499
  174    H    SER  26           H        SER  26  -3.042 -17.168   6.240
  175    HA   SER  26           HA       SER  26  -2.161 -17.623   8.998
  176   1HB   SER  26          1HB       SER  26  -0.966 -17.486   6.252
  177   2HB   SER  26          2HB       SER  26   0.109 -17.375   7.643
  178    HG   SER  26           HG       SER  26  -0.058 -19.505   7.361
  179    H    GLY  27           H        GLY  27  -2.203 -14.946   6.695
  180   1HA   GLY  27          1HA       GLY  27  -2.242 -12.821   8.408
  181   2HA   GLY  27          2HA       GLY  27  -0.529 -13.244   8.402
  182    H    THR  28           H        THR  28  -0.976 -10.803   7.452
  183    HA   THR  28           HA       THR  28  -1.543 -10.780   4.578
  184    HB   THR  28           HB       THR  28  -0.476  -8.746   6.561
  185    HG1  THR  28           HG1      THR  28  -2.665  -7.929   6.138
  186   1HG2  THR  28          1HG2      THR  28  -1.138  -7.094   4.763
  187   2HG2  THR  28          2HG2      THR  28  -1.283  -8.461   3.658
  188   3HG2  THR  28          3HG2      THR  28   0.279  -8.072   4.379
  189    H    TYR  29           H        TYR  29  -0.003 -11.620   3.197
  190    HA   TYR  29           HA       TYR  29   2.878 -11.131   3.876
  191   1HB   TYR  29          1HB       TYR  29   3.303 -13.188   2.639
  192   2HB   TYR  29          2HB       TYR  29   2.041 -13.490   3.827
  193    HD1  TYR  29           HD1      TYR  29   2.842 -13.205   0.270
  194    HD2  TYR  29           HD2      TYR  29  -0.328 -13.684   3.128
  195    HE1  TYR  29           HE1      TYR  29   1.316 -13.928  -1.546
  196    HE2  TYR  29           HE2      TYR  29  -1.855 -14.406   1.313
  197    HH   TYR  29           HH       TYR  29  -1.287 -15.571  -1.213
  198    H    TYR  30           H        TYR  30   3.797 -11.879   1.253
  199    HA   TYR  30           HA       TYR  30   2.694  -9.663  -0.442
  200   1HB   TYR  30          1HB       TYR  30   5.548 -10.386   0.272
  201   2HB   TYR  30          2HB       TYR  30   5.143  -9.294  -1.053
  202    HD1  TYR  30           HD1      TYR  30   3.929  -7.159  -0.592
  203    HD2  TYR  30           HD2      TYR  30   5.379  -9.690   2.562
  204    HE1  TYR  30           HE1      TYR  30   3.692  -5.288   1.019
  205    HE2  TYR  30           HE2      TYR  30   5.142  -7.819   4.172
  206    HH   TYR  30           HH       TYR  30   5.026  -5.411   4.187
  207    H    TRP  31           H        TRP  31   2.366 -10.263  -2.568
  208    HA   TRP  31           HA       TRP  31   3.297 -12.988  -3.383
  209   1HB   TRP  31          1HB       TRP  31   0.940 -12.839  -3.467
  210   2HB   TRP  31          2HB       TRP  31   0.978 -11.193  -4.086
  211    HD1  TRP  31           HD1      TRP  31   3.206 -13.876  -5.605
  212    HE1  TRP  31           HE1      TRP  31   2.427 -14.343  -8.018
  213    HE3  TRP  31           HE3      TRP  31  -1.104 -11.140  -5.685
  214    HZ2  TRP  31           HZ2      TRP  31   0.262 -13.647  -9.753
  215    HZ3  TRP  31           HZ3      TRP  31  -2.505 -11.059  -7.728
  216    HH2  TRP  31           HH2      TRP  31  -1.828 -12.308  -9.760
  217    H    HIS  32           H        HIS  32   5.052 -12.939  -4.705
  218    HA   HIS  32           HA       HIS  32   5.874 -10.512  -6.107
  219   1HB   HIS  32          1HB       HIS  32   7.122 -12.657  -5.000
  220   2HB   HIS  32          2HB       HIS  32   7.137 -13.131  -6.699
  221    HD1  HIS  32           HD1      HIS  32   9.836 -12.501  -5.592
  222    HD2  HIS  32           HD2      HIS  32   7.364  -9.514  -7.119
  223    HE1  HIS  32           HE1      HIS  32  11.347 -10.564  -6.207
  224    H    ILE  33           H        ILE  33   4.736  -9.976  -7.899
  225    HA   ILE  33           HA       ILE  33   3.284 -11.764  -9.595
  226    HB   ILE  33           HB       ILE  33   4.357  -8.962 -10.040
  227   1HG1  ILE  33          1HG1      ILE  33   1.759  -9.974  -8.830
  228   2HG1  ILE  33          2HG1      ILE  33   3.049  -9.129  -7.974
  229   1HG2  ILE  33          1HG2      ILE  33   2.881  -8.766 -11.822
  230   2HG2  ILE  33          2HG2      ILE  33   1.810 -10.027 -11.211
  231   3HG2  ILE  33          3HG2      ILE  33   3.336 -10.462 -11.978
  232   1HD1  ILE  33          1HD1      ILE  33   2.450  -7.493 -10.174
  233   2HD1  ILE  33          2HD1      ILE  33   2.012  -7.197  -8.492
  234   3HD1  ILE  33          3HD1      ILE  33   0.884  -8.028  -9.563
  235    HA   PRO  34           HA       PRO  34   6.987 -11.174 -12.604
  236   1HB   PRO  34          1HB       PRO  34   9.451 -10.758 -11.487
  237   2HB   PRO  34          2HB       PRO  34   8.370  -9.444 -11.989
  238   1HG   PRO  34          1HG       PRO  34   8.905 -10.523  -9.277
  239   2HG   PRO  34          2HG       PRO  34   8.598  -8.858  -9.792
  240   1HD   PRO  34          1HD       PRO  34   6.742 -10.469  -8.592
  241   2HD   PRO  34          2HD       PRO  34   6.335  -9.098  -9.646
  242    H    THR  35           H        THR  35   8.588 -12.392  -9.613
  243    HA   THR  35           HA       THR  35   9.376 -14.841 -11.053
  244    HB   THR  35           HB       THR  35  10.953 -13.778  -9.561
  245    HG1  THR  35           HG1      THR  35  11.121 -15.962  -9.426
  246   1HG2  THR  35          1HG2      THR  35  10.008 -14.032  -6.988
  247   2HG2  THR  35          2HG2      THR  35   8.562 -13.541  -7.872
  248   3HG2  THR  35          3HG2      THR  35  10.011 -12.536  -7.922
  249    H    GLY  36           H        GLY  36   6.798 -13.821  -8.981
  250   1HA   GLY  36          1HA       GLY  36   4.833 -15.063  -8.479
  251   2HA   GLY  36          2HA       GLY  36   5.622 -16.511  -9.106
  252    H    THR  37           H        THR  37   7.989 -15.539  -7.257
  253    HA   THR  37           HA       THR  37   7.586 -17.396  -5.145
  254    HB   THR  37           HB       THR  37   9.262 -14.883  -5.043
  255    HG1  THR  37           HG1      THR  37  10.135 -17.296  -6.175
  256   1HG2  THR  37          1HG2      THR  37   9.920 -15.876  -3.134
  257   2HG2  THR  37          2HG2      THR  37  10.720 -17.070  -4.158
  258   3HG2  THR  37          3HG2      THR  37   9.094 -17.379  -3.547
  259    H    THR  38           H        THR  38   7.286 -16.883  -2.825
  260    HA   THR  38           HA       THR  38   5.568 -14.458  -2.401
  261    HB   THR  38           HB       THR  38   4.807 -16.281  -0.491
  262    HG1  THR  38           HG1      THR  38   5.269 -18.207  -1.142
  263   1HG2  THR  38          1HG2      THR  38   2.978 -16.848  -2.262
  264   2HG2  THR  38          2HG2      THR  38   3.822 -15.670  -3.267
  265   3HG2  THR  38          3HG2      THR  38   3.140 -15.179  -1.716
  266    H    GLN  39           H        GLN  39   5.771 -13.457  -0.291
  267    HA   GLN  39           HA       GLN  39   8.055 -14.379   1.399
  268   1HB   GLN  39          1HB       GLN  39   7.671 -11.738  -0.014
  269   2HB   GLN  39          2HB       GLN  39   8.685 -11.858   1.424
  270   1HG   GLN  39          1HG       GLN  39   9.817 -13.846   0.189
  271   2HG   GLN  39          2HG       GLN  39   9.064 -13.177  -1.258
  272   1HE2  GLN  39          1HE2      GLN  39  11.919 -13.212  -0.927
  273   2HE2  GLN  39          2HE2      GLN  39  12.455 -11.607  -0.788
  274    H    TRP  40           H        TRP  40   8.092 -12.588   3.359
  275    HA   TRP  40           HA       TRP  40   5.257 -12.073   4.181
  276   1HB   TRP  40          1HB       TRP  40   7.464 -13.463   5.735
  277   2HB   TRP  40          2HB       TRP  40   5.902 -13.010   6.416
  278    HD1  TRP  40           HD1      TRP  40   7.512 -15.409   3.923
  279    HE1  TRP  40           HE1      TRP  40   5.831 -17.283   3.368
  280    HE3  TRP  40           HE3      TRP  40   3.371 -13.617   6.315
  281    HZ2  TRP  40           HZ2      TRP  40   3.091 -17.936   3.872
  282    HZ3  TRP  40           HZ3      TRP  40   1.242 -14.884   6.262
  283    HH2  TRP  40           HH2      TRP  40   1.096 -17.039   5.045
  284    H    GLU  41           H        GLU  41   8.257 -10.766   3.651
  285    HA   GLU  41           HA       GLU  41   7.907  -8.713   5.815
  286   1HB   GLU  41          1HB       GLU  41  10.428  -9.592   4.367
  287   2HB   GLU  41          2HB       GLU  41  10.340  -8.502   5.751
  288   1HG   GLU  41          1HG       GLU  41   9.069 -10.545   6.863
  289   2HG   GLU  41          2HG       GLU  41   9.956 -11.470   5.651
  290    HA   PRO  42           HA       PRO  42   7.532  -5.696   2.647
  291   1HB   PRO  42          1HB       PRO  42   8.770  -3.543   3.798
  292   2HB   PRO  42          2HB       PRO  42   7.180  -4.136   4.320
  293   1HG   PRO  42          1HG       PRO  42   9.856  -4.564   5.549
  294   2HG   PRO  42          2HG       PRO  42   8.287  -4.294   6.324
  295   1HD   PRO  42          1HD       PRO  42   9.460  -6.750   6.101
  296   2HD   PRO  42          2HD       PRO  42   7.702  -6.503   6.206
  297    HA   PRO  43           HA       PRO  43  11.587  -6.309   0.770
  298   1HB   PRO  43          1HB       PRO  43  10.700  -6.046  -1.805
  299   2HB   PRO  43          2HB       PRO  43  10.539  -7.551  -0.878
  300   1HG   PRO  43          1HG       PRO  43   8.507  -5.464  -1.466
  301   2HG   PRO  43          2HG       PRO  43   8.326  -7.222  -1.361
  302   1HD   PRO  43          1HD       PRO  43   7.586  -5.476   0.621
  303   2HD   PRO  43          2HD       PRO  43   8.008  -7.180   0.897
  304    H    GLY  44           H        GLY  44  12.809  -4.456   1.072
  305   1HA   GLY  44          1HA       GLY  44  12.301  -2.172  -0.730
  306   2HA   GLY  44          2HA       GLY  44  12.255  -1.821   0.999
  307    H    ARG  45           H        ARG  45  14.374  -3.612  -1.277
  308    HA   ARG  45           HA       ARG  45  16.750  -3.299   0.305
  309   1HB   ARG  45          1HB       ARG  45  16.528  -5.003  -1.405
  310   2HB   ARG  45          2HB       ARG  45  16.235  -3.783  -2.645
  311   1HG   ARG  45          1HG       ARG  45  18.523  -4.376  -2.901
  312   2HG   ARG  45          2HG       ARG  45  18.546  -2.841  -2.032
  313   1HD   ARG  45          1HD       ARG  45  19.657  -3.820  -0.321
  314   2HD   ARG  45          2HD       ARG  45  18.337  -4.990  -0.121
  315    HE   ARG  45           HE       ARG  45  20.830  -5.498  -1.512
  316   1HH1  ARG  45          1HH1      ARG  45  18.702  -7.369  -0.177
  317   2HH1  ARG  45          2HH1      ARG  45  18.271  -8.340  -1.545
  318   1HH2  ARG  45          1HH2      ARG  45  19.738  -6.210  -3.855
  319   2HH2  ARG  45          2HH2      ARG  45  18.858  -7.684  -3.627
  320    H    ALA  46           H        ALA  46  17.359  -1.204   0.855
  321    HA   ALA  46           HA       ALA  46  17.988   0.642  -1.402
  322   1HB   ALA  46          1HB       ALA  46  16.789   1.924   0.962
  323   2HB   ALA  46          2HB       ALA  46  15.690   0.836   0.113
  324   3HB   ALA  46          3HB       ALA  46  16.442   2.179  -0.748
  325    H    SER  47           H        SER  47  20.232   0.491  -1.003
  326    HA   SER  47           HA       SER  47  21.158   1.226   1.753
  327   1HB   SER  47          1HB       SER  47  23.337   0.207   0.545
  328   2HB   SER  47          2HB       SER  47  22.134  -0.819   1.320
  329    HG   SER  47           HG       SER  47  21.410  -1.431  -0.590
  330    HA   PRO  48           HA       PRO  48  22.158   4.857  -0.869
  331   1HB   PRO  48          1HB       PRO  48  21.767   6.692   1.125
  332   2HB   PRO  48          2HB       PRO  48  20.449   6.072   0.110
  333   1HG   PRO  48          1HG       PRO  48  21.229   5.304   2.877
  334   2HG   PRO  48          2HG       PRO  48  19.617   5.480   2.166
  335   1HD   PRO  48          1HD       PRO  48  20.836   3.070   2.568
  336   2HD   PRO  48          2HD       PRO  48  19.627   3.363   1.298
  337    H    SER  49           H        SER  49  23.526   3.256   1.739
  338    HA   SER  49           HA       SER  49  25.699   5.197   2.245
  339   1HB   SER  49          1HB       SER  49  25.424   2.344   3.210
  340   2HB   SER  49          2HB       SER  49  26.287   3.668   3.987
  341    HG   SER  49           HG       SER  49  23.567   3.081   3.909
  342    H    GLN  50           H        GLN  50  25.111   2.239   0.436
  343    HA   GLN  50           HA       GLN  50  27.902   2.421  -0.648
  344   1HB   GLN  50          1HB       GLN  50  26.865   0.458   1.020
  345   2HB   GLN  50          2HB       GLN  50  26.693  -0.252  -0.586
  346   1HG   GLN  50          1HG       GLN  50  29.234   0.953  -0.581
  347   2HG   GLN  50          2HG       GLN  50  29.099   0.146   0.981
  348   1HE2  GLN  50          1HE2      GLN  50  27.780  -0.761  -2.253
  349   2HE2  GLN  50          2HE2      GLN  50  28.508  -2.295  -2.281
  Start of MODEL    2
    1    H    ASP   1           H        ASP   1  -9.470  -1.200 -17.292
    2    HA   ASP   1           HA       ASP   1 -11.770  -1.202 -15.465
    3   1HB   ASP   1          1HB       ASP   1 -11.177  -3.567 -15.455
    4   2HB   ASP   1          2HB       ASP   1 -11.166  -2.995 -17.124
    5    H    SER   2           H        SER   2 -10.015   0.684 -14.516
    6    HA   SER   2           HA       SER   2  -8.631  -0.760 -12.282
    7   1HB   SER   2          1HB       SER   2  -7.255   0.263 -14.278
    8   2HB   SER   2          2HB       SER   2  -7.593   1.797 -13.481
    9    HG   SER   2           HG       SER   2  -5.726   1.053 -12.592
   10    H    PHE   3           H        PHE   3 -10.067  -0.242 -10.617
   11    HA   PHE   3           HA       PHE   3 -10.187   2.564  -9.760
   12   1HB   PHE   3          1HB       PHE   3 -12.477   1.083 -11.027
   13   2HB   PHE   3          2HB       PHE   3 -12.809   2.292  -9.786
   14    HD1  PHE   3           HD1      PHE   3 -11.068   4.455 -10.144
   15    HD2  PHE   3           HD2      PHE   3 -12.729   1.913 -13.183
   16    HE1  PHE   3           HE1      PHE   3 -10.767   6.260 -11.818
   17    HE2  PHE   3           HE2      PHE   3 -12.427   3.717 -14.857
   18    HZ   PHE   3           HZ       PHE   3 -11.446   5.891 -14.176
   19    H    TRP   4           H        TRP   4  -9.104   0.339  -8.442
   20    HA   TRP   4           HA       TRP   4 -10.656  -1.231  -6.757
   21   1HB   TRP   4          1HB       TRP   4  -8.162   0.364  -6.072
   22   2HB   TRP   4          2HB       TRP   4  -8.718  -1.080  -5.225
   23    HD1  TRP   4           HD1      TRP   4  -6.890   0.058  -8.309
   24    HE1  TRP   4           HE1      TRP   4  -6.075  -1.995  -9.638
   25    HE3  TRP   4           HE3      TRP   4  -9.367  -3.649  -5.815
   26    HZ2  TRP   4           HZ2      TRP   4  -6.426  -4.834  -9.642
   27    HZ3  TRP   4           HZ3      TRP   4  -9.108  -6.016  -6.503
   28    HH2  TRP   4           HH2      TRP   4  -7.643  -6.612  -8.412
   29    H    ASN   5           H        ASN   5 -11.458  -0.893  -4.557
   30    HA   ASN   5           HA       ASN   5 -12.447   1.885  -4.126
   31   1HB   ASN   5          1HB       ASN   5 -13.491  -0.753  -3.919
   32   2HB   ASN   5          2HB       ASN   5 -13.457  -0.086  -2.286
   33   1HD2  ASN   5          1HD2      ASN   5 -15.926  -0.119  -2.599
   34   2HD2  ASN   5          2HD2      ASN   5 -16.638   1.217  -3.366
   35    HA   PRO   6           HA       PRO   6  -9.603   2.412  -0.795
   36   1HB   PRO   6          1HB       PRO   6 -10.868   4.480   0.476
   37   2HB   PRO   6          2HB       PRO   6  -9.966   4.684  -1.040
   38   1HG   PRO   6          1HG       PRO   6 -12.899   4.466  -0.596
   39   2HG   PRO   6          2HG       PRO   6 -12.002   5.476  -1.740
   40   1HD   PRO   6          1HD       PRO   6 -13.277   3.160  -2.434
   41   2HD   PRO   6          2HD       PRO   6 -11.870   3.813  -3.302
   42    H    ASN   7           H        ASN   7 -13.019   1.823  -0.304
   43    HA   ASN   7           HA       ASN   7 -12.753   1.345   2.589
   44   1HB   ASN   7          1HB       ASN   7 -14.902   1.249   0.487
   45   2HB   ASN   7          2HB       ASN   7 -15.194   0.506   2.060
   46   1HD2  ASN   7          1HD2      ASN   7 -13.067   3.300   1.856
   47   2HD2  ASN   7          2HD2      ASN   7 -14.138   4.403   2.575
   48    H    ALA   8           H        ALA   8 -12.685  -0.508  -0.388
   49    HA   ALA   8           HA       ALA   8 -13.293  -3.105   0.607
   50   1HB   ALA   8          1HB       ALA   8 -13.063  -2.364  -1.776
   51   2HB   ALA   8          2HB       ALA   8 -12.145  -3.831  -1.427
   52   3HB   ALA   8          3HB       ALA   8 -11.316  -2.279  -1.544
   53    H    PHE   9           H        PHE   9 -10.733  -4.373  -0.260
   54    HA   PHE   9           HA       PHE   9  -9.386  -4.329   2.359
   55   1HB   PHE   9          1HB       PHE   9  -9.455  -5.972  -0.126
   56   2HB   PHE   9          2HB       PHE   9  -7.972  -6.045   0.826
   57    HD1  PHE   9           HD1      PHE   9 -11.228  -7.374   0.451
   58    HD2  PHE   9           HD2      PHE   9  -8.324  -6.324   3.437
   59    HE1  PHE   9           HE1      PHE   9 -12.339  -8.894   2.065
   60    HE2  PHE   9           HE2      PHE   9  -9.436  -7.843   5.052
   61    HZ   PHE   9           HZ       PHE   9 -11.444  -9.128   4.366
   62    H    GLU  10           H        GLU  10  -7.898  -2.704   2.685
   63    HA   GLU  10           HA       GLU  10  -6.662  -1.040   0.823
   64   1HB   GLU  10          1HB       GLU  10  -5.900  -2.149   3.517
   65   2HB   GLU  10          2HB       GLU  10  -4.798  -1.060   2.674
   66   1HG   GLU  10          1HG       GLU  10  -6.849   0.487   2.389
   67   2HG   GLU  10          2HG       GLU  10  -7.603  -0.507   3.636
   68    H    THR  11           H        THR  11  -4.975  -1.281  -0.632
   69    HA   THR  11           HA       THR  11  -3.847  -3.999  -0.986
   70    HB   THR  11           HB       THR  11  -3.149  -1.679  -2.726
   71    HG1  THR  11           HG1      THR  11  -5.180  -1.592  -3.582
   72   1HG2  THR  11          1HG2      THR  11  -4.036  -3.567  -4.375
   73   2HG2  THR  11          2HG2      THR  11  -3.746  -4.597  -2.973
   74   3HG2  THR  11          3HG2      THR  11  -2.423  -3.661  -3.669
   75    H    ASP  12           H        ASP  12  -1.392  -3.361  -2.140
   76    HA   ASP  12           HA       ASP  12   0.467  -3.323  -0.106
   77   1HB   ASP  12          1HB       ASP  12   2.032  -2.606  -1.816
   78   2HB   ASP  12          2HB       ASP  12   0.804  -3.604  -2.592
   79    H    SER  13           H        SER  13   1.009  -1.852   1.455
   80    HA   SER  13           HA       SER  13  -0.178   0.802   1.513
   81   1HB   SER  13          1HB       SER  13   0.761   0.853   3.685
   82   2HB   SER  13          2HB       SER  13   0.451  -0.859   3.409
   83    HG   SER  13           HG       SER  13   2.505  -1.097   3.748
   84    H    ASP  14           H        ASP  14   2.922  -0.531   0.527
   85    HA   ASP  14           HA       ASP  14   3.697   1.832  -0.901
   86   1HB   ASP  14          1HB       ASP  14   3.833   2.259   1.747
   87   2HB   ASP  14          2HB       ASP  14   5.413   1.507   1.521
   88    H    LEU  15           H        LEU  15   3.760  -0.842  -1.622
   89    HA   LEU  15           HA       LEU  15   6.512  -1.866  -1.244
   90   1HB   LEU  15          1HB       LEU  15   3.948  -2.822  -2.523
   91   2HB   LEU  15          2HB       LEU  15   5.461  -3.692  -2.767
   92    HG   LEU  15           HG       LEU  15   4.249  -4.650  -0.864
   93   1HD1  LEU  15          1HD1      LEU  15   6.882  -3.973  -0.910
   94   2HD1  LEU  15          2HD1      LEU  15   6.139  -4.892   0.399
   95   3HD1  LEU  15          3HD1      LEU  15   6.371  -3.151   0.564
   96   1HD2  LEU  15          1HD2      LEU  15   3.436  -3.396   0.921
   97   2HD2  LEU  15          2HD2      LEU  15   3.216  -2.251  -0.401
   98   3HD2  LEU  15          3HD2      LEU  15   4.605  -2.099   0.675
   99    HA   PRO  16           HA       PRO  16   8.082  -0.436  -5.082
  100   1HB   PRO  16          1HB       PRO  16   9.426  -2.618  -6.050
  101   2HB   PRO  16          2HB       PRO  16  10.008  -1.652  -4.678
  102   1HG   PRO  16          1HG       PRO  16   8.578  -4.262  -4.680
  103   2HG   PRO  16          2HG       PRO  16   9.907  -3.705  -3.653
  104   1HD   PRO  16          1HD       PRO  16   7.314  -3.772  -2.834
  105   2HD   PRO  16          2HD       PRO  16   8.507  -2.611  -2.207
  106    H    ALA  17           H        ALA  17   8.457  -1.765  -7.518
  107    HA   ALA  17           HA       ALA  17   5.638  -2.178  -8.369
  108   1HB   ALA  17          1HB       ALA  17   6.473  -0.803  -9.963
  109   2HB   ALA  17          2HB       ALA  17   7.339  -2.209 -10.583
  110   3HB   ALA  17          3HB       ALA  17   8.132  -1.113  -9.452
  111    H    GLY  18           H        GLY  18   4.923  -4.256  -8.551
  112   1HA   GLY  18          1HA       GLY  18   5.162  -6.393  -9.788
  113   2HA   GLY  18          2HA       GLY  18   6.881  -6.353  -9.401
  114    H    TRP  19           H        TRP  19   5.342  -5.235  -6.700
  115    HA   TRP  19           HA       TRP  19   5.222  -7.992  -5.518
  116   1HB   TRP  19          1HB       TRP  19   6.301  -5.336  -4.625
  117   2HB   TRP  19          2HB       TRP  19   5.737  -6.475  -3.403
  118    HD1  TRP  19           HD1      TRP  19   8.579  -5.792  -5.736
  119    HE1  TRP  19           HE1      TRP  19  10.353  -7.651  -5.530
  120    HE3  TRP  19           HE3      TRP  19   5.984  -9.181  -2.931
  121    HZ2  TRP  19           HZ2      TRP  19  10.633 -10.235  -4.337
  122    HZ3  TRP  19           HZ3      TRP  19   7.029 -11.333  -2.278
  123    HH2  TRP  19           HH2      TRP  19   9.346 -11.863  -2.977
  124    H    MET  20           H        MET  20   3.378  -8.469  -4.285
  125    HA   MET  20           HA       MET  20   1.274  -6.335  -4.163
  126   1HB   MET  20          1HB       MET  20   0.932  -9.337  -4.388
  127   2HB   MET  20          2HB       MET  20  -0.318  -8.115  -4.585
  128   1HG   MET  20          1HG       MET  20   2.124  -8.065  -6.341
  129   2HG   MET  20          2HG       MET  20   0.784  -9.146  -6.718
  130   1HE   MET  20          1HE       MET  20  -1.787  -7.313  -8.279
  131   2HE   MET  20          2HE       MET  20  -2.033  -7.770  -6.595
  132   3HE   MET  20          3HE       MET  20  -1.057  -8.795  -7.644
  133    H    ARG  21           H        ARG  21  -0.319  -6.704  -2.379
  134    HA   ARG  21           HA       ARG  21   0.970  -7.941   0.035
  135   1HB   ARG  21          1HB       ARG  21   0.891  -5.445  -0.021
  136   2HB   ARG  21          2HB       ARG  21  -0.864  -5.527  -0.185
  137   1HG   ARG  21          1HG       ARG  21  -1.110  -6.528   1.979
  138   2HG   ARG  21          2HG       ARG  21   0.627  -6.809   2.116
  139   1HD   ARG  21          1HD       ARG  21   0.783  -4.187   1.826
  140   2HD   ARG  21          2HD       ARG  21  -0.896  -4.234   2.403
  141    HE   ARG  21           HE       ARG  21   0.783  -5.942   4.016
  142   1HH1  ARG  21          1HH1      ARG  21  -1.029  -3.114   3.925
  143   2HH1  ARG  21          2HH1      ARG  21  -0.248  -2.363   5.276
  144   1HH2  ARG  21          1HH2      ARG  21   2.217  -4.786   5.538
  145   2HH2  ARG  21          2HH2      ARG  21   1.589  -3.309   6.189
  146    H    VAL  22           H        VAL  22  -0.178  -9.882   0.230
  147    HA   VAL  22           HA       VAL  22  -3.150  -9.769  -0.102
  148    HB   VAL  22           HB       VAL  22  -1.274 -12.139   0.025
  149   1HG1  VAL  22          1HG1      VAL  22  -3.409 -12.899  -1.463
  150   2HG1  VAL  22          2HG1      VAL  22  -4.183 -11.751  -0.371
  151   3HG1  VAL  22          3HG1      VAL  22  -3.310 -13.136   0.282
  152   1HG2  VAL  22          1HG2      VAL  22  -0.533 -11.298  -1.968
  153   2HG2  VAL  22          2HG2      VAL  22  -1.927 -10.231  -2.142
  154   3HG2  VAL  22          3HG2      VAL  22  -2.058 -11.933  -2.586
  155    H    GLN  23           H        GLN  23  -4.397 -11.104   1.439
  156    HA   GLN  23           HA       GLN  23  -3.146 -11.179   4.166
  157   1HB   GLN  23          1HB       GLN  23  -5.071  -9.489   3.362
  158   2HB   GLN  23          2HB       GLN  23  -6.092 -10.871   3.763
  159   1HG   GLN  23          1HG       GLN  23  -5.422 -10.871   6.020
  160   2HG   GLN  23          2HG       GLN  23  -3.979  -9.913   5.685
  161   1HE2  GLN  23          1HE2      GLN  23  -5.231  -8.706   7.634
  162   2HE2  GLN  23          2HE2      GLN  23  -6.251  -7.444   7.133
  163    H    ASP  24           H        ASP  24  -2.602 -13.470   3.736
  164    HA   ASP  24           HA       ASP  24  -4.601 -15.418   3.016
  165   1HB   ASP  24          1HB       ASP  24  -1.812 -15.232   3.597
  166   2HB   ASP  24          2HB       ASP  24  -2.487 -16.555   4.544
  167    H    THR  25           H        THR  25  -5.036 -17.313   4.641
  168    HA   THR  25           HA       THR  25  -6.529 -16.282   6.877
  169    HB   THR  25           HB       THR  25  -7.038 -18.603   7.233
  170    HG1  THR  25           HG1      THR  25  -4.942 -19.401   7.305
  171   1HG2  THR  25          1HG2      THR  25  -7.094 -17.426   4.661
  172   2HG2  THR  25          2HG2      THR  25  -8.117 -18.729   5.267
  173   3HG2  THR  25          3HG2      THR  25  -6.610 -19.106   4.431
  174    H    SER  26           H        SER  26  -3.207 -16.781   6.504
  175    HA   SER  26           HA       SER  26  -2.783 -17.364   9.403
  176   1HB   SER  26          1HB       SER  26  -1.359 -17.804   6.845
  177   2HB   SER  26          2HB       SER  26  -0.327 -17.380   8.207
  178    HG   SER  26           HG       SER  26  -1.872 -19.071   9.261
  179    H    GLY  27           H        GLY  27  -2.378 -14.895   6.943
  180   1HA   GLY  27          1HA       GLY  27  -2.235 -12.688   8.591
  181   2HA   GLY  27          2HA       GLY  27  -0.564 -13.252   8.529
  182    H    THR  28           H        THR  28  -0.602 -10.909   7.486
  183    HA   THR  28           HA       THR  28  -1.343 -10.982   4.614
  184    HB   THR  28           HB       THR  28  -0.114  -8.794   6.321
  185    HG1  THR  28           HG1      THR  28  -2.002  -8.961   7.249
  186   1HG2  THR  28          1HG2      THR  28  -0.445  -7.378   4.558
  187   2HG2  THR  28          2HG2      THR  28  -1.896  -8.222   4.019
  188   3HG2  THR  28          3HG2      THR  28  -0.302  -8.866   3.623
  189    H    TYR  29           H        TYR  29   0.181 -11.750   3.194
  190    HA   TYR  29           HA       TYR  29   3.072 -11.389   3.910
  191   1HB   TYR  29          1HB       TYR  29   3.434 -13.420   2.599
  192   2HB   TYR  29          2HB       TYR  29   2.164 -13.717   3.787
  193    HD1  TYR  29           HD1      TYR  29  -0.217 -13.782   3.096
  194    HD2  TYR  29           HD2      TYR  29   2.960 -13.380   0.233
  195    HE1  TYR  29           HE1      TYR  29  -1.780 -14.402   1.275
  196    HE2  TYR  29           HE2      TYR  29   1.396 -13.999  -1.590
  197    HH   TYR  29           HH       TYR  29  -0.651 -14.698  -2.093
  198    H    TYR  30           H        TYR  30   3.931 -12.124   1.226
  199    HA   TYR  30           HA       TYR  30   2.901  -9.824  -0.394
  200   1HB   TYR  30          1HB       TYR  30   5.733 -10.562   0.378
  201   2HB   TYR  30          2HB       TYR  30   5.376  -9.469  -0.960
  202    HD1  TYR  30           HD1      TYR  30   4.742  -7.208  -0.575
  203    HD2  TYR  30           HD2      TYR  30   4.899  -9.984   2.701
  204    HE1  TYR  30           HE1      TYR  30   4.442  -5.338   1.025
  205    HE2  TYR  30           HE2      TYR  30   4.601  -8.111   4.299
  206    HH   TYR  30           HH       TYR  30   3.680  -5.826   4.302
  207    H    TRP  31           H        TRP  31   2.608 -10.346  -2.538
  208    HA   TRP  31           HA       TRP  31   3.508 -13.054  -3.442
  209   1HB   TRP  31          1HB       TRP  31   1.137 -12.796  -3.502
  210   2HB   TRP  31          2HB       TRP  31   1.257 -11.169  -4.169
  211    HD1  TRP  31           HD1      TRP  31   3.386 -14.002  -5.561
  212    HE1  TRP  31           HE1      TRP  31   2.632 -14.505  -7.975
  213    HE3  TRP  31           HE3      TRP  31  -0.779 -11.060  -5.813
  214    HZ2  TRP  31           HZ2      TRP  31   0.537 -13.757  -9.775
  215    HZ3  TRP  31           HZ3      TRP  31  -2.135 -10.974  -7.886
  216    HH2  TRP  31           HH2      TRP  31  -1.483 -12.317  -9.865
  217    H    HIS  32           H        HIS  32   4.996 -13.148  -5.111
  218    HA   HIS  32           HA       HIS  32   5.942 -10.586  -6.251
  219   1HB   HIS  32          1HB       HIS  32   7.290 -12.586  -5.222
  220   2HB   HIS  32          2HB       HIS  32   7.081 -13.311  -6.815
  221    HD1  HIS  32           HD1      HIS  32   7.414  -9.595  -6.626
  222    HD2  HIS  32           HD2      HIS  32   9.892 -12.872  -7.331
  223    HE1  HIS  32           HE1      HIS  32   9.575  -8.671  -7.559
  224    H    ILE  33           H        ILE  33   4.744  -9.943  -7.974
  225    HA   ILE  33           HA       ILE  33   3.223 -11.585  -9.723
  226    HB   ILE  33           HB       ILE  33   4.452  -8.843 -10.129
  227   1HG1  ILE  33          1HG1      ILE  33   1.923  -9.796  -8.754
  228   2HG1  ILE  33          2HG1      ILE  33   3.231  -8.835  -8.063
  229   1HG2  ILE  33          1HG2      ILE  33   1.788  -9.537 -11.227
  230   2HG2  ILE  33          2HG2      ILE  33   3.153 -10.350 -11.993
  231   3HG2  ILE  33          3HG2      ILE  33   3.090  -8.589 -11.944
  232   1HD1  ILE  33          1HD1      ILE  33   0.887  -7.916  -9.433
  233   2HD1  ILE  33          2HD1      ILE  33   2.306  -7.460 -10.375
  234   3HD1  ILE  33          3HD1      ILE  33   2.168  -6.959  -8.690
  235    HA   PRO  34           HA       PRO  34   6.881 -11.144 -12.794
  236   1HB   PRO  34          1HB       PRO  34   9.380 -10.776 -11.746
  237   2HB   PRO  34          2HB       PRO  34   8.314  -9.439 -12.222
  238   1HG   PRO  34          1HG       PRO  34   8.898 -10.523  -9.523
  239   2HG   PRO  34          2HG       PRO  34   8.616  -8.853 -10.034
  240   1HD   PRO  34          1HD       PRO  34   6.756 -10.421  -8.780
  241   2HD   PRO  34          2HD       PRO  34   6.354  -9.041  -9.822
  242    H    THR  35           H        THR  35   8.553 -12.368  -9.845
  243    HA   THR  35           HA       THR  35   9.244 -14.845 -11.278
  244    HB   THR  35           HB       THR  35   9.778 -14.624  -8.405
  245    HG1  THR  35           HG1      THR  35  11.187 -12.839 -10.017
  246   1HG2  THR  35          1HG2      THR  35  11.280 -15.170 -10.944
  247   2HG2  THR  35          2HG2      THR  35  11.066 -16.210  -9.538
  248   3HG2  THR  35          3HG2      THR  35  12.162 -14.832  -9.455
  249    H    GLY  36           H        GLY  36   6.990 -13.828  -8.755
  250   1HA   GLY  36          1HA       GLY  36   4.957 -15.037  -8.264
  251   2HA   GLY  36          2HA       GLY  36   5.681 -16.481  -8.969
  252    H    THR  37           H        THR  37   7.934 -14.966  -7.000
  253    HA   THR  37           HA       THR  37   7.837 -17.099  -5.027
  254    HB   THR  37           HB       THR  37   9.353 -14.555  -4.622
  255    HG1  THR  37           HG1      THR  37  10.830 -15.319  -6.253
  256   1HG2  THR  37          1HG2      THR  37  10.041 -16.164  -3.112
  257   2HG2  THR  37          2HG2      THR  37  11.162 -16.483  -4.435
  258   3HG2  THR  37          3HG2      THR  37   9.732 -17.494  -4.228
  259    H    THR  38           H        THR  38   7.365 -16.835  -2.768
  260    HA   THR  38           HA       THR  38   5.673 -14.439  -2.127
  261    HB   THR  38           HB       THR  38   4.835 -16.420  -0.438
  262    HG1  THR  38           HG1      THR  38   5.263 -17.734  -2.887
  263   1HG2  THR  38          1HG2      THR  38   3.032 -16.813  -2.190
  264   2HG2  THR  38          2HG2      THR  38   3.959 -15.757  -3.255
  265   3HG2  THR  38          3HG2      THR  38   3.302 -15.129  -1.744
  266    H    GLN  39           H        GLN  39   5.885 -13.622   0.050
  267    HA   GLN  39           HA       GLN  39   8.089 -14.781   1.697
  268   1HB   GLN  39          1HB       GLN  39   7.827 -11.845   0.998
  269   2HB   GLN  39          2HB       GLN  39   9.180 -12.635   1.810
  270   1HG   GLN  39          1HG       GLN  39   9.660 -13.937  -0.216
  271   2HG   GLN  39          2HG       GLN  39   8.286 -13.192  -1.035
  272   1HE2  GLN  39          1HE2      GLN  39  11.546 -12.982  -1.000
  273   2HE2  GLN  39          2HE2      GLN  39  11.753 -11.321  -1.282
  274    H    TRP  40           H        TRP  40   7.943 -12.227   3.310
  275    HA   TRP  40           HA       TRP  40   5.226 -12.539   4.529
  276   1HB   TRP  40          1HB       TRP  40   7.009 -13.937   5.628
  277   2HB   TRP  40          2HB       TRP  40   7.882 -12.451   5.991
  278    HD1  TRP  40           HD1      TRP  40   7.367 -11.443   8.247
  279    HE1  TRP  40           HE1      TRP  40   5.412 -11.554   9.927
  280    HE3  TRP  40           HE3      TRP  40   4.108 -14.353   5.610
  281    HZ2  TRP  40           HZ2      TRP  40   2.806 -12.725  10.121
  282    HZ3  TRP  40           HZ3      TRP  40   1.898 -14.950   6.561
  283    HH2  TRP  40           HH2      TRP  40   1.244 -14.141   8.812
  284    H    GLU  41           H        GLU  41   8.282 -10.706   4.823
  285    HA   GLU  41           HA       GLU  41   6.779  -8.262   5.566
  286   1HB   GLU  41          1HB       GLU  41   9.707  -9.026   5.371
  287   2HB   GLU  41          2HB       GLU  41   9.158  -7.423   5.860
  288   1HG   GLU  41          1HG       GLU  41   7.630  -9.010   7.476
  289   2HG   GLU  41          2HG       GLU  41   9.108  -9.967   7.360
  290    HA   PRO  42           HA       PRO  42   7.043  -6.373   1.617
  291   1HB   PRO  42          1HB       PRO  42   7.645  -3.778   2.246
  292   2HB   PRO  42          2HB       PRO  42   6.050  -4.499   2.541
  293   1HG   PRO  42          1HG       PRO  42   8.287  -4.012   4.441
  294   2HG   PRO  42          2HG       PRO  42   6.542  -3.849   4.686
  295   1HD   PRO  42          1HD       PRO  42   8.000  -5.979   5.576
  296   2HD   PRO  42          2HD       PRO  42   6.271  -6.068   5.172
  297    HA   PRO  43           HA       PRO  43  11.406  -6.613   0.750
  298   1HB   PRO  43          1HB       PRO  43  11.195  -6.370  -1.967
  299   2HB   PRO  43          2HB       PRO  43  10.828  -7.875  -1.100
  300   1HG   PRO  43          1HG       PRO  43   8.976  -5.813  -2.180
  301   2HG   PRO  43          2HG       PRO  43   8.806  -7.575  -2.138
  302   1HD   PRO  43          1HD       PRO  43   7.546  -5.885  -0.397
  303   2HD   PRO  43          2HD       PRO  43   7.957  -7.572  -0.017
  304    H    GLY  44           H        GLY  44  12.723  -4.860   1.065
  305   1HA   GLY  44          1HA       GLY  44  12.169  -2.384  -0.507
  306   2HA   GLY  44          2HA       GLY  44  12.491  -2.278   1.224
  307    H    ARG  45           H        ARG  45  13.931  -2.165  -1.803
  308    HA   ARG  45           HA       ARG  45  16.602  -3.018  -0.763
  309   1HB   ARG  45          1HB       ARG  45  15.977  -4.074  -2.818
  310   2HB   ARG  45          2HB       ARG  45  15.403  -2.553  -3.504
  311   1HG   ARG  45          1HG       ARG  45  17.677  -1.672  -3.561
  312   2HG   ARG  45          2HG       ARG  45  18.287  -3.119  -2.759
  313   1HD   ARG  45          1HD       ARG  45  17.837  -4.492  -4.656
  314   2HD   ARG  45          2HD       ARG  45  16.809  -3.252  -5.402
  315    HE   ARG  45           HE       ARG  45  19.486  -2.259  -4.881
  316   1HH1  ARG  45          1HH1      ARG  45  19.890  -4.816  -6.440
  317   2HH1  ARG  45          2HH1      ARG  45  19.843  -4.239  -8.073
  318   1HH2  ARG  45          1HH2      ARG  45  18.401  -1.197  -7.237
  319   2HH2  ARG  45          2HH2      ARG  45  19.000  -2.190  -8.525
  320    H    ALA  46           H        ALA  46  14.719  -0.236  -1.577
  321    HA   ALA  46           HA       ALA  46  17.116   1.499  -1.888
  322   1HB   ALA  46          1HB       ALA  46  15.539   3.094  -2.717
  323   2HB   ALA  46          2HB       ALA  46  14.186   2.257  -1.954
  324   3HB   ALA  46          3HB       ALA  46  14.998   1.537  -3.345
  325    H    SER  47           H        SER  47  17.643   3.088  -0.349
  326    HA   SER  47           HA       SER  47  15.966   3.977   1.786
  327   1HB   SER  47          1HB       SER  47  15.974   1.766   2.636
  328   2HB   SER  47          2HB       SER  47  17.670   1.524   2.226
  329    HG   SER  47           HG       SER  47  16.581   2.486   4.485
  330    HA   PRO  48           HA       PRO  48  19.477   6.661   1.870
  331   1HB   PRO  48          1HB       PRO  48  18.703   8.197   3.998
  332   2HB   PRO  48          2HB       PRO  48  17.982   8.350   2.383
  333   1HG   PRO  48          1HG       PRO  48  16.937   6.966   4.799
  334   2HG   PRO  48          2HG       PRO  48  16.072   7.904   3.572
  335   1HD   PRO  48          1HD       PRO  48  16.107   5.172   3.652
  336   2HD   PRO  48          2HD       PRO  48  15.868   6.116   2.165
  337    H    SER  49           H        SER  49  18.732   6.776   5.291
  338    HA   SER  49           HA       SER  49  21.413   5.685   5.911
  339   1HB   SER  49          1HB       SER  49  19.232   6.853   7.667
  340   2HB   SER  49          2HB       SER  49  20.909   6.590   8.133
  341    HG   SER  49           HG       SER  49  20.215   8.773   7.334
  342    H    GLN  50           H        GLN  50  21.641   3.975   7.555
  343    HA   GLN  50           HA       GLN  50  19.244   2.347   8.168
  344   1HB   GLN  50          1HB       GLN  50  19.963   1.636   5.924
  345   2HB   GLN  50          2HB       GLN  50  21.601   1.374   6.520
  346   1HG   GLN  50          1HG       GLN  50  20.930  -0.450   7.885
  347   2HG   GLN  50          2HG       GLN  50  19.223  -0.031   7.741
  348   1HE2  GLN  50          1HE2      GLN  50  18.155  -0.477   5.649
  349   2HE2  GLN  50          2HE2      GLN  50  18.829  -1.590   4.559
  Start of MODEL    3
    1    H    ASP   1           H        ASP   1 -26.637  -3.251   6.081
    2    HA   ASP   1           HA       ASP   1 -26.299  -5.897   5.938
    3   1HB   ASP   1          1HB       ASP   1 -28.853  -5.105   4.501
    4   2HB   ASP   1          2HB       ASP   1 -28.015  -6.638   4.251
    5    H    SER   2           H        SER   2 -26.462  -6.389   3.162
    6    HA   SER   2           HA       SER   2 -25.427  -5.808   1.116
    7   1HB   SER   2          1HB       SER   2 -26.951  -3.701   1.895
    8   2HB   SER   2          2HB       SER   2 -25.366  -2.933   1.872
    9    HG   SER   2           HG       SER   2 -25.223  -4.086  -0.283
   10    H    PHE   3           H        PHE   3 -23.416  -6.794   1.920
   11    HA   PHE   3           HA       PHE   3 -21.422  -4.988   3.167
   12   1HB   PHE   3          1HB       PHE   3 -22.065  -7.624   3.456
   13   2HB   PHE   3          2HB       PHE   3 -20.721  -7.741   2.322
   14    HD1  PHE   3           HD1      PHE   3 -19.277  -5.194   3.259
   15    HD2  PHE   3           HD2      PHE   3 -20.940  -8.534   5.389
   16    HE1  PHE   3           HE1      PHE   3 -17.676  -4.809   5.113
   17    HE2  PHE   3           HE2      PHE   3 -19.339  -8.147   7.243
   18    HZ   PHE   3           HZ       PHE   3 -17.706  -6.286   7.106
   19    H    TRP   4           H        TRP   4 -21.812  -6.937   0.195
   20    HA   TRP   4           HA       TRP   4 -19.366  -6.418  -1.074
   21   1HB   TRP   4          1HB       TRP   4 -21.160  -7.936  -1.852
   22   2HB   TRP   4          2HB       TRP   4 -22.162  -6.542  -2.251
   23    HD1  TRP   4           HD1      TRP   4 -22.132  -6.151  -4.748
   24    HE1  TRP   4           HE1      TRP   4 -20.354  -6.224  -6.615
   25    HE3  TRP   4           HE3      TRP   4 -18.080  -7.695  -2.050
   26    HZ2  TRP   4           HZ2      TRP   4 -17.581  -6.854  -6.923
   27    HZ3  TRP   4           HZ3      TRP   4 -15.886  -8.024  -3.154
   28    HH2  TRP   4           HH2      TRP   4 -15.631  -7.605  -5.585
   29    H    ASN   5           H        ASN   5 -18.444  -4.404  -1.274
   30    HA   ASN   5           HA       ASN   5 -20.191  -2.165  -2.247
   31   1HB   ASN   5          1HB       ASN   5 -18.395  -2.468   0.065
   32   2HB   ASN   5          2HB       ASN   5 -18.101  -0.998  -0.865
   33   1HD2  ASN   5          1HD2      ASN   5 -19.060  -0.296   1.488
   34   2HD2  ASN   5          2HD2      ASN   5 -20.731   0.005   1.483
   35    HA   PRO   6           HA       PRO   6 -17.228  -2.045  -5.521
   36   1HB   PRO   6          1HB       PRO   6 -17.957   0.372  -6.579
   37   2HB   PRO   6          2HB       PRO   6 -18.910  -1.110  -6.804
   38   1HG   PRO   6          1HG       PRO   6 -19.352   1.159  -4.931
   39   2HG   PRO   6          2HG       PRO   6 -20.529   0.199  -5.840
   40   1HD   PRO   6          1HD       PRO   6 -20.005  -0.161  -3.182
   41   2HD   PRO   6          2HD       PRO   6 -20.608  -1.444  -4.254
   42    H    ASN   7           H        ASN   7 -17.591   0.545  -3.167
   43    HA   ASN   7           HA       ASN   7 -15.001   1.773  -3.897
   44   1HB   ASN   7          1HB       ASN   7 -17.156   2.310  -1.833
   45   2HB   ASN   7          2HB       ASN   7 -15.698   3.289  -1.981
   46   1HD2  ASN   7          1HD2      ASN   7 -18.759   3.690  -2.690
   47   2HD2  ASN   7          2HD2      ASN   7 -18.684   4.390  -4.235
   48    H    ALA   8           H        ALA   8 -14.839  -0.966  -2.990
   49    HA   ALA   8           HA       ALA   8 -13.580  -0.620  -0.287
   50   1HB   ALA   8          1HB       ALA   8 -15.611  -2.305  -1.168
   51   2HB   ALA   8          2HB       ALA   8 -14.662  -2.525   0.303
   52   3HB   ALA   8          3HB       ALA   8 -14.185  -3.343  -1.185
   53    H    PHE   9           H        PHE   9 -12.550  -0.439  -3.262
   54    HA   PHE   9           HA       PHE   9 -10.510  -2.589  -3.253
   55   1HB   PHE   9          1HB       PHE   9 -11.620  -0.550  -5.133
   56   2HB   PHE   9          2HB       PHE   9  -9.973  -1.107  -5.428
   57    HD1  PHE   9           HD1      PHE   9 -13.345  -2.509  -4.551
   58    HD2  PHE   9           HD2      PHE   9  -9.679  -3.013  -6.730
   59    HE1  PHE   9           HE1      PHE   9 -14.228  -4.599  -5.553
   60    HE2  PHE   9           HE2      PHE   9 -10.561  -5.103  -7.732
   61    HZ   PHE   9           HZ       PHE   9 -12.835  -5.896  -7.143
   62    H    GLU  10           H        GLU  10  -9.328  -1.779  -1.330
   63    HA   GLU  10           HA       GLU  10  -8.145   0.882  -1.332
   64   1HB   GLU  10          1HB       GLU  10  -7.553  -1.652   0.235
   65   2HB   GLU  10          2HB       GLU  10  -6.990  -0.037   0.661
   66   1HG   GLU  10          1HG       GLU  10  -9.376   0.711   0.778
   67   2HG   GLU  10          2HG       GLU  10  -9.872  -0.959   0.505
   68    H    THR  11           H        THR  11  -5.660   1.053  -1.159
   69    HA   THR  11           HA       THR  11  -4.463  -0.388  -3.464
   70    HB   THR  11           HB       THR  11  -3.030   1.699  -1.879
   71    HG1  THR  11           HG1      THR  11  -4.943   2.694  -1.867
   72   1HG2  THR  11          1HG2      THR  11  -3.355   0.858  -4.736
   73   2HG2  THR  11          2HG2      THR  11  -1.878   1.156  -3.820
   74   3HG2  THR  11          3HG2      THR  11  -2.853   2.512  -4.386
   75    H    ASP  12           H        ASP  12  -1.806  -0.439  -2.824
   76    HA   ASP  12           HA       ASP  12  -1.693  -2.576  -0.783
   77   1HB   ASP  12          1HB       ASP  12   0.112  -1.435  -2.913
   78   2HB   ASP  12          2HB       ASP  12   0.749  -2.554  -1.708
   79    H    SER  13           H        SER  13   0.936  -2.229   0.121
   80    HA   SER  13           HA       SER  13   0.632   0.177   1.869
   81   1HB   SER  13          1HB       SER  13   2.643  -1.471   2.871
   82   2HB   SER  13          2HB       SER  13   0.965  -1.457   3.403
   83    HG   SER  13           HG       SER  13   0.528  -3.054   1.857
   84    H    ASP  14           H        ASP  14   1.568   0.890  -0.594
   85    HA   ASP  14           HA       ASP  14   3.386   1.945  -1.674
   86   1HB   ASP  14          1HB       ASP  14   4.299   1.861   1.219
   87   2HB   ASP  14          2HB       ASP  14   5.089   2.818  -0.035
   88    H    LEU  15           H        LEU  15   3.436  -0.750  -2.126
   89    HA   LEU  15           HA       LEU  15   6.014  -1.908  -1.298
   90   1HB   LEU  15          1HB       LEU  15   3.604  -2.712  -2.907
   91   2HB   LEU  15          2HB       LEU  15   5.081  -3.664  -3.041
   92    HG   LEU  15           HG       LEU  15   3.587  -4.567  -1.289
   93   1HD1  LEU  15          1HD1      LEU  15   5.553  -5.196  -0.392
   94   2HD1  LEU  15          2HD1      LEU  15   5.488  -3.754   0.620
   95   3HD1  LEU  15          3HD1      LEU  15   6.332  -3.709  -0.928
   96   1HD2  LEU  15          1HD2      LEU  15   2.592  -2.307  -0.731
   97   2HD2  LEU  15          2HD2      LEU  15   4.077  -1.944   0.150
   98   3HD2  LEU  15          3HD2      LEU  15   3.042  -3.273   0.674
   99    HA   PRO  16           HA       PRO  16   8.352  -0.782  -4.837
  100   1HB   PRO  16          1HB       PRO  16   9.614  -3.113  -5.524
  101   2HB   PRO  16          2HB       PRO  16  10.050  -2.163  -4.088
  102   1HG   PRO  16          1HG       PRO  16   8.383  -4.620  -4.294
  103   2HG   PRO  16          2HG       PRO  16   9.570  -4.163  -3.064
  104   1HD   PRO  16          1HD       PRO  16   6.883  -3.948  -2.698
  105   2HD   PRO  16          2HD       PRO  16   8.065  -2.888  -1.897
  106    H    ALA  17           H        ALA  17   9.005  -2.328  -7.118
  107    HA   ALA  17           HA       ALA  17   6.357  -2.402  -8.466
  108   1HB   ALA  17          1HB       ALA  17   7.860  -1.092  -9.665
  109   2HB   ALA  17          2HB       ALA  17   8.095  -2.651 -10.456
  110   3HB   ALA  17          3HB       ALA  17   9.239  -2.101  -9.231
  111    H    GLY  18           H        GLY  18   5.389  -4.348  -8.822
  112   1HA   GLY  18          1HA       GLY  18   5.371  -6.580  -9.748
  113   2HA   GLY  18          2HA       GLY  18   7.086  -6.723  -9.374
  114    H    TRP  19           H        TRP  19   5.414  -5.331  -6.778
  115    HA   TRP  19           HA       TRP  19   5.209  -8.013  -5.452
  116   1HB   TRP  19          1HB       TRP  19   6.324  -5.347  -4.639
  117   2HB   TRP  19          2HB       TRP  19   5.691  -6.424  -3.396
  118    HD1  TRP  19           HD1      TRP  19   8.636  -5.892  -5.632
  119    HE1  TRP  19           HE1      TRP  19  10.357  -7.779  -5.288
  120    HE3  TRP  19           HE3      TRP  19   5.854  -9.125  -2.822
  121    HZ2  TRP  19           HZ2      TRP  19  10.532 -10.324  -3.995
  122    HZ3  TRP  19           HZ3      TRP  19   6.823 -11.274  -2.053
  123    HH2  TRP  19           HH2      TRP  19   9.155 -11.875  -2.635
  124    H    MET  20           H        MET  20   3.287  -8.415  -4.359
  125    HA   MET  20           HA       MET  20   1.250  -6.210  -4.329
  126   1HB   MET  20          1HB       MET  20   0.873  -9.208  -4.623
  127   2HB   MET  20          2HB       MET  20  -0.379  -7.978  -4.785
  128   1HG   MET  20          1HG       MET  20   2.094  -8.056  -6.527
  129   2HG   MET  20          2HG       MET  20   0.574  -8.829  -6.977
  130   1HE   MET  20          1HE       MET  20  -1.914  -6.255  -7.640
  131   2HE   MET  20          2HE       MET  20  -1.745  -6.631  -5.928
  132   3HE   MET  20          3HE       MET  20  -1.508  -7.898  -7.129
  133    H    ARG  21           H        ARG  21  -0.503  -6.666  -2.640
  134    HA   ARG  21           HA       ARG  21   0.714  -7.848  -0.162
  135   1HB   ARG  21          1HB       ARG  21   0.607  -5.485   0.103
  136   2HB   ARG  21          2HB       ARG  21  -0.970  -5.391  -0.682
  137   1HG   ARG  21          1HG       ARG  21  -2.047  -6.473   1.187
  138   2HG   ARG  21          2HG       ARG  21  -0.491  -6.835   1.937
  139   1HD   ARG  21          1HD       ARG  21  -0.154  -4.634   2.620
  140   2HD   ARG  21          2HD       ARG  21  -1.172  -3.971   1.327
  141    HE   ARG  21           HE       ARG  21  -2.725  -5.671   3.064
  142   1HH1  ARG  21          1HH1      ARG  21  -2.051  -2.507   2.104
  143   2HH1  ARG  21          2HH1      ARG  21  -2.797  -1.754   3.473
  144   1HH2  ARG  21          1HH2      ARG  21  -3.342  -4.738   5.152
  145   2HH2  ARG  21          2HH2      ARG  21  -3.526  -3.016   5.199
  146    H    VAL  22           H        VAL  22  -0.357  -9.794   0.127
  147    HA   VAL  22           HA       VAL  22  -3.306  -9.863  -0.417
  148    HB   VAL  22           HB       VAL  22  -1.374 -12.170  -0.134
  149   1HG1  VAL  22          1HG1      VAL  22  -3.181 -13.110  -1.776
  150   2HG1  VAL  22          2HG1      VAL  22  -4.173 -11.787  -1.163
  151   3HG1  VAL  22          3HG1      VAL  22  -3.556 -13.013  -0.056
  152   1HG2  VAL  22          1HG2      VAL  22  -0.447 -11.606  -2.110
  153   2HG2  VAL  22          2HG2      VAL  22  -1.454 -10.161  -2.181
  154   3HG2  VAL  22          3HG2      VAL  22  -2.040 -11.678  -2.863
  155    H    GLN  23           H        GLN  23  -4.563 -11.266   1.078
  156    HA   GLN  23           HA       GLN  23  -3.435 -11.259   3.861
  157   1HB   GLN  23          1HB       GLN  23  -5.229  -9.572   3.290
  158   2HB   GLN  23          2HB       GLN  23  -6.315 -10.924   2.969
  159   1HG   GLN  23          1HG       GLN  23  -6.256 -11.651   5.229
  160   2HG   GLN  23          2HG       GLN  23  -4.849 -10.651   5.594
  161   1HE2  GLN  23          1HE2      GLN  23  -5.228  -8.213   5.478
  162   2HE2  GLN  23          2HE2      GLN  23  -6.768  -7.623   5.879
  163    H    ASP  24           H        ASP  24  -2.769 -13.497   3.713
  164    HA   ASP  24           HA       ASP  24  -4.800 -15.526   3.002
  165   1HB   ASP  24          1HB       ASP  24  -1.970 -15.234   2.964
  166   2HB   ASP  24          2HB       ASP  24  -2.355 -16.606   4.000
  167    H    THR  25           H        THR  25  -4.374 -17.591   4.644
  168    HA   THR  25           HA       THR  25  -5.711 -16.892   7.094
  169    HB   THR  25           HB       THR  25  -5.286 -19.297   7.590
  170    HG1  THR  25           HG1      THR  25  -3.140 -19.206   6.613
  171   1HG2  THR  25          1HG2      THR  25  -5.889 -19.669   4.800
  172   2HG2  THR  25          2HG2      THR  25  -6.669 -18.197   5.377
  173   3HG2  THR  25          3HG2      THR  25  -6.981 -19.735   6.182
  174    H    SER  26           H        SER  26  -2.313 -17.442   6.256
  175    HA   SER  26           HA       SER  26  -1.341 -17.492   8.990
  176   1HB   SER  26          1HB       SER  26  -0.359 -17.630   6.245
  177   2HB   SER  26          2HB       SER  26   0.722 -16.697   7.277
  178    HG   SER  26           HG       SER  26   0.995 -19.079   7.202
  179    H    GLY  27           H        GLY  27  -2.279 -14.967   6.806
  180   1HA   GLY  27          1HA       GLY  27  -2.556 -12.799   8.258
  181   2HA   GLY  27          2HA       GLY  27  -0.803 -12.933   8.405
  182    H    THR  28           H        THR  28  -1.159 -10.686   7.314
  183    HA   THR  28           HA       THR  28  -1.724 -10.788   4.427
  184    HB   THR  28           HB       THR  28  -0.804  -8.625   6.344
  185    HG1  THR  28           HG1      THR  28  -2.944  -9.489   6.579
  186   1HG2  THR  28          1HG2      THR  28  -0.457  -7.274   4.583
  187   2HG2  THR  28          2HG2      THR  28  -2.055  -7.650   3.941
  188   3HG2  THR  28          3HG2      THR  28  -0.673  -8.662   3.518
  189    H    TYR  29           H        TYR  29  -0.117 -11.575   3.102
  190    HA   TYR  29           HA       TYR  29   2.723 -10.930   3.822
  191   1HB   TYR  29          1HB       TYR  29   3.263 -12.991   2.630
  192   2HB   TYR  29          2HB       TYR  29   2.004 -13.327   3.813
  193    HD1  TYR  29           HD1      TYR  29  -0.356 -13.627   3.088
  194    HD2  TYR  29           HD2      TYR  29   2.835 -13.102   0.263
  195    HE1  TYR  29           HE1      TYR  29  -1.827 -14.457   1.270
  196    HE2  TYR  29           HE2      TYR  29   1.366 -13.930  -1.555
  197    HH   TYR  29           HH       TYR  29  -0.826 -14.342  -2.099
  198    H    TYR  30           H        TYR  30   3.726 -11.691   1.229
  199    HA   TYR  30           HA       TYR  30   2.559  -9.545  -0.513
  200   1HB   TYR  30          1HB       TYR  30   5.454 -10.240   0.068
  201   2HB   TYR  30          2HB       TYR  30   4.937  -9.053  -1.130
  202    HD1  TYR  30           HD1      TYR  30   3.059  -7.348  -0.138
  203    HD2  TYR  30           HD2      TYR  30   6.071  -9.393   2.140
  204    HE1  TYR  30           HE1      TYR  30   2.884  -5.626   1.639
  205    HE2  TYR  30           HE2      TYR  30   5.897  -7.672   3.917
  206    HH   TYR  30           HH       TYR  30   5.014  -4.967   3.772
  207    H    TRP  31           H        TRP  31   2.422 -10.072  -2.706
  208    HA   TRP  31           HA       TRP  31   3.254 -12.854  -3.451
  209   1HB   TRP  31          1HB       TRP  31   0.911 -12.677  -3.568
  210   2HB   TRP  31          2HB       TRP  31   0.972 -11.024  -4.173
  211    HD1  TRP  31           HD1      TRP  31   3.194 -13.680  -5.735
  212    HE1  TRP  31           HE1      TRP  31   2.395 -14.133  -8.145
  213    HE3  TRP  31           HE3      TRP  31  -1.151 -11.000  -5.739
  214    HZ2  TRP  31           HZ2      TRP  31   0.200 -13.446  -9.849
  215    HZ3  TRP  31           HZ3      TRP  31  -2.576 -10.915  -7.765
  216    HH2  TRP  31           HH2      TRP  31  -1.907 -12.133  -9.818
  217    H    HIS  32           H        HIS  32   4.847 -12.986  -4.969
  218    HA   HIS  32           HA       HIS  32   5.838 -10.553  -6.279
  219   1HB   HIS  32          1HB       HIS  32   7.060 -12.648  -5.215
  220   2HB   HIS  32          2HB       HIS  32   6.821 -13.343  -6.817
  221    HD1  HIS  32           HD1      HIS  32   7.405  -9.653  -6.485
  222    HD2  HIS  32           HD2      HIS  32   9.610 -13.068  -7.403
  223    HE1  HIS  32           HE1      HIS  32   9.611  -8.848  -7.428
  224    H    ILE  33           H        ILE  33   4.673  -9.901  -8.037
  225    HA   ILE  33           HA       ILE  33   3.046 -11.551  -9.699
  226    HB   ILE  33           HB       ILE  33   4.346  -8.844 -10.121
  227   1HG1  ILE  33          1HG1      ILE  33   1.621  -9.675  -9.060
  228   2HG1  ILE  33          2HG1      ILE  33   2.933  -8.973  -8.112
  229   1HG2  ILE  33          1HG2      ILE  33   2.277 -10.398 -11.652
  230   2HG2  ILE  33          2HG2      ILE  33   3.607  -9.414 -12.263
  231   3HG2  ILE  33          3HG2      ILE  33   2.171  -8.639 -11.592
  232   1HD1  ILE  33          1HD1      ILE  33   2.332  -7.358 -10.459
  233   2HD1  ILE  33          2HD1      ILE  33   2.396  -6.882  -8.762
  234   3HD1  ILE  33          3HD1      ILE  33   0.914  -7.563  -9.431
  235    HA   PRO  34           HA       PRO  34   6.696 -11.370 -12.805
  236   1HB   PRO  34          1HB       PRO  34   9.214 -11.056 -11.784
  237   2HB   PRO  34          2HB       PRO  34   8.198  -9.701 -12.310
  238   1HG   PRO  34          1HG       PRO  34   8.777 -10.681  -9.574
  239   2HG   PRO  34          2HG       PRO  34   8.520  -9.031 -10.153
  240   1HD   PRO  34          1HD       PRO  34   6.646 -10.530  -8.815
  241   2HD   PRO  34          2HD       PRO  34   6.265  -9.155  -9.872
  242    H    THR  35           H        THR  35   8.332 -12.543  -9.814
  243    HA   THR  35           HA       THR  35   8.936 -15.095 -11.152
  244    HB   THR  35           HB       THR  35   9.451 -14.708  -8.280
  245    HG1  THR  35           HG1      THR  35  11.120 -13.177  -8.824
  246   1HG2  THR  35          1HG2      THR  35  10.393 -16.428 -10.051
  247   2HG2  THR  35          2HG2      THR  35  11.434 -15.799  -8.774
  248   3HG2  THR  35          3HG2      THR  35  11.520 -15.116 -10.397
  249    H    GLY  36           H        GLY  36   6.643 -13.889  -8.777
  250   1HA   GLY  36          1HA       GLY  36   4.603 -15.020  -8.199
  251   2HA   GLY  36          2HA       GLY  36   5.278 -16.513  -8.849
  252    H    THR  37           H        THR  37   7.681 -15.189  -7.023
  253    HA   THR  37           HA       THR  37   7.486 -17.172  -4.945
  254    HB   THR  37           HB       THR  37   9.074 -14.640  -4.706
  255    HG1  THR  37           HG1      THR  37  10.154 -15.036  -6.467
  256   1HG2  THR  37          1HG2      THR  37  10.750 -16.119  -3.833
  257   2HG2  THR  37          2HG2      THR  37   9.868 -17.539  -4.398
  258   3HG2  THR  37          3HG2      THR  37   9.218 -16.563  -3.081
  259    H    THR  38           H        THR  38   7.101 -16.788  -2.669
  260    HA   THR  38           HA       THR  38   5.451 -14.340  -2.108
  261    HB   THR  38           HB       THR  38   4.751 -16.356  -0.294
  262    HG1  THR  38           HG1      THR  38   4.256 -18.046  -1.892
  263   1HG2  THR  38          1HG2      THR  38   2.645 -16.127  -1.246
  264   2HG2  THR  38          2HG2      THR  38   3.285 -16.030  -2.886
  265   3HG2  THR  38          3HG2      THR  38   3.425 -14.645  -1.802
  266    H    GLN  39           H        GLN  39   5.720 -13.433   0.035
  267    HA   GLN  39           HA       GLN  39   7.963 -14.532   1.674
  268   1HB   GLN  39          1HB       GLN  39   7.702 -11.824   0.368
  269   2HB   GLN  39          2HB       GLN  39   8.708 -12.042   1.800
  270   1HG   GLN  39          1HG       GLN  39   9.781 -14.009   0.517
  271   2HG   GLN  39          2HG       GLN  39   9.017 -13.321  -0.916
  272   1HE2  GLN  39          1HE2      GLN  39  11.970 -13.421   0.204
  273   2HE2  GLN  39          2HE2      GLN  39  12.499 -11.823  -0.013
  274    H    TRP  40           H        TRP  40   8.087 -12.615   3.621
  275    HA   TRP  40           HA       TRP  40   5.267 -12.188   4.543
  276   1HB   TRP  40          1HB       TRP  40   7.577 -13.514   5.995
  277   2HB   TRP  40          2HB       TRP  40   6.077 -13.031   6.787
  278    HD1  TRP  40           HD1      TRP  40   7.580 -15.701   4.627
  279    HE1  TRP  40           HE1      TRP  40   5.811 -17.508   4.118
  280    HE3  TRP  40           HE3      TRP  40   3.393 -13.352   6.368
  281    HZ2  TRP  40           HZ2      TRP  40   2.992 -17.903   4.411
  282    HZ3  TRP  40           HZ3      TRP  40   1.183 -14.464   6.241
  283    HH2  TRP  40           HH2      TRP  40   0.976 -16.734   5.266
  284    H    GLU  41           H        GLU  41   8.220 -10.792   3.903
  285    HA   GLU  41           HA       GLU  41   7.848  -8.721   6.044
  286   1HB   GLU  41          1HB       GLU  41  10.332  -9.693   4.598
  287   2HB   GLU  41          2HB       GLU  41  10.309  -8.390   5.786
  288   1HG   GLU  41          1HG       GLU  41   8.974 -10.422   7.099
  289   2HG   GLU  41          2HG       GLU  41  10.220 -11.292   6.204
  290    HA   PRO  42           HA       PRO  42   7.382  -5.734   2.865
  291   1HB   PRO  42          1HB       PRO  42   8.576  -3.550   3.998
  292   2HB   PRO  42          2HB       PRO  42   7.012  -4.186   4.544
  293   1HG   PRO  42          1HG       PRO  42   9.711  -4.514   5.744
  294   2HG   PRO  42          2HG       PRO  42   8.138  -4.326   6.534
  295   1HD   PRO  42          1HD       PRO  42   9.448  -6.723   6.251
  296   2HD   PRO  42          2HD       PRO  42   7.689  -6.560   6.448
  297    HA   PRO  43           HA       PRO  43  11.386  -6.199   0.868
  298   1HB   PRO  43          1HB       PRO  43  10.470  -5.673  -1.657
  299   2HB   PRO  43          2HB       PRO  43  10.281  -7.253  -0.870
  300   1HG   PRO  43          1HG       PRO  43   8.302  -5.059  -1.211
  301   2HG   PRO  43          2HG       PRO  43   8.070  -6.811  -1.292
  302   1HD   PRO  43          1HD       PRO  43   7.397  -5.286   0.875
  303   2HD   PRO  43          2HD       PRO  43   7.814  -7.011   0.969
  304    H    GLY  44           H        GLY  44  12.442  -4.309   1.637
  305   1HA   GLY  44          1HA       GLY  44  11.703  -1.742   0.299
  306   2HA   GLY  44          2HA       GLY  44  12.544  -1.852   1.847
  307    H    ARG  45           H        ARG  45  12.925  -1.791  -1.584
  308    HA   ARG  45           HA       ARG  45  15.866  -2.294  -1.288
  309   1HB   ARG  45          1HB       ARG  45  13.795  -2.793  -3.392
  310   2HB   ARG  45          2HB       ARG  45  15.456  -2.507  -3.913
  311   1HG   ARG  45          1HG       ARG  45  16.277  -4.369  -2.685
  312   2HG   ARG  45          2HG       ARG  45  14.784  -4.512  -1.756
  313   1HD   ARG  45          1HD       ARG  45  13.579  -5.388  -3.604
  314   2HD   ARG  45          2HD       ARG  45  14.805  -4.843  -4.765
  315    HE   ARG  45           HE       ARG  45  16.152  -6.530  -2.967
  316   1HH1  ARG  45          1HH1      ARG  45  13.078  -7.305  -3.918
  317   2HH1  ARG  45          2HH1      ARG  45  13.502  -8.706  -4.842
  318   1HH2  ARG  45          1HH2      ARG  45  16.911  -8.086  -4.716
  319   2HH2  ARG  45          2HH2      ARG  45  15.671  -9.149  -5.295
  320    H    ALA  46           H        ALA  46  17.224  -0.586  -1.734
  321    HA   ALA  46           HA       ALA  46  16.238   1.674  -3.392
  322   1HB   ALA  46          1HB       ALA  46  15.671   1.988  -0.929
  323   2HB   ALA  46          2HB       ALA  46  16.644   3.275  -1.641
  324   3HB   ALA  46          3HB       ALA  46  17.407   2.053  -0.624
  325    H    SER  47           H        SER  47  18.910   0.189  -1.589
  326    HA   SER  47           HA       SER  47  20.988   1.792  -2.835
  327   1HB   SER  47          1HB       SER  47  20.698  -0.009  -0.713
  328   2HB   SER  47          2HB       SER  47  21.775  -0.833  -1.836
  329    HG   SER  47           HG       SER  47  22.211   1.348  -0.263
  330    HA   PRO  48           HA       PRO  48  21.617  -2.103  -5.531
  331   1HB   PRO  48          1HB       PRO  48  19.739  -4.087  -5.407
  332   2HB   PRO  48          2HB       PRO  48  21.151  -4.028  -4.335
  333   1HG   PRO  48          1HG       PRO  48  18.329  -3.287  -3.789
  334   2HG   PRO  48          2HG       PRO  48  19.528  -4.037  -2.725
  335   1HD   PRO  48          1HD       PRO  48  18.817  -1.383  -2.643
  336   2HD   PRO  48          2HD       PRO  48  20.360  -2.030  -2.046
  337    H    SER  49           H        SER  49  21.080  -1.670  -7.646
  338    HA   SER  49           HA       SER  49  19.784  -1.073  -9.531
  339   1HB   SER  49          1HB       SER  49  17.371  -2.051  -8.039
  340   2HB   SER  49          2HB       SER  49  17.819  -2.319  -9.721
  341    HG   SER  49           HG       SER  49  19.038  -3.957  -9.139
  342    H    GLN  50           H        GLN  50  20.159   0.897  -7.381
  343    HA   GLN  50           HA       GLN  50  17.798   2.285  -6.640
  344   1HB   GLN  50          1HB       GLN  50  20.311   2.554  -6.001
  345   2HB   GLN  50          2HB       GLN  50  20.391   3.630  -7.397
  346   1HG   GLN  50          1HG       GLN  50  18.080   4.144  -5.658
  347   2HG   GLN  50          2HG       GLN  50  19.633   4.395  -4.859
  348   1HE2  GLN  50          1HE2      GLN  50  21.197   5.893  -6.005
  349   2HE2  GLN  50          2HE2      GLN  50  20.571   7.133  -6.981
  Start of MODEL    4
    1    H    ASP   1           H        ASP   1 -19.050  -2.425  -7.202
    2    HA   ASP   1           HA       ASP   1 -19.470  -3.396  -9.917
    3   1HB   ASP   1          1HB       ASP   1 -20.851  -2.034  -7.640
    4   2HB   ASP   1          2HB       ASP   1 -21.520  -1.814  -9.257
    5    H    SER   2           H        SER   2 -20.281  -0.188  -8.738
    6    HA   SER   2           HA       SER   2 -18.738   0.978 -11.030
    7   1HB   SER   2          1HB       SER   2 -21.372   1.551  -9.703
    8   2HB   SER   2          2HB       SER   2 -20.537   2.849 -10.551
    9    HG   SER   2           HG       SER   2 -22.070   1.382 -11.752
   10    H    PHE   3           H        PHE   3 -19.238   1.036  -7.581
   11    HA   PHE   3           HA       PHE   3 -17.741   3.584  -7.267
   12   1HB   PHE   3          1HB       PHE   3 -19.710   2.020  -5.826
   13   2HB   PHE   3          2HB       PHE   3 -18.338   2.391  -4.779
   14    HD1  PHE   3           HD1      PHE   3 -21.422   3.591  -5.917
   15    HD2  PHE   3           HD2      PHE   3 -17.418   4.908  -5.095
   16    HE1  PHE   3           HE1      PHE   3 -22.239   5.920  -5.670
   17    HE2  PHE   3           HE2      PHE   3 -18.234   7.238  -4.848
   18    HZ   PHE   3           HZ       PHE   3 -20.645   7.743  -5.135
   19    H    TRP   4           H        TRP   4 -15.628   2.806  -7.959
   20    HA   TRP   4           HA       TRP   4 -14.256   0.510  -7.142
   21   1HB   TRP   4          1HB       TRP   4 -13.424   2.127  -8.770
   22   2HB   TRP   4          2HB       TRP   4 -13.297   3.365  -7.521
   23    HD1  TRP   4           HD1      TRP   4 -11.544   2.754  -5.454
   24    HE1  TRP   4           HE1      TRP   4  -9.256   1.575  -5.591
   25    HE3  TRP   4           HE3      TRP   4 -12.003   0.461  -9.995
   26    HZ2  TRP   4           HZ2      TRP   4  -7.811  -0.116  -7.388
   27    HZ3  TRP   4           HZ3      TRP   4 -10.158  -0.926 -10.894
   28    HH2  TRP   4           HH2      TRP   4  -8.063  -1.217  -9.598
   29    H    ASN   5           H        ASN   5 -13.169  -0.101  -5.255
   30    HA   ASN   5           HA       ASN   5 -13.943   0.704  -2.719
   31   1HB   ASN   5          1HB       ASN   5 -11.257  -0.267  -3.740
   32   2HB   ASN   5          2HB       ASN   5 -11.715  -0.259  -2.038
   33   1HD2  ASN   5          1HD2      ASN   5 -11.144  -2.693  -3.528
   34   2HD2  ASN   5          2HD2      ASN   5 -12.578  -3.599  -3.592
   35    HA   PRO   6           HA       PRO   6 -12.186   4.853  -2.852
   36   1HB   PRO   6          1HB       PRO   6 -13.568   5.762  -0.672
   37   2HB   PRO   6          2HB       PRO   6 -14.278   5.665  -2.296
   38   1HG   PRO   6          1HG       PRO   6 -14.599   3.830   0.024
   39   2HG   PRO   6          2HG       PRO   6 -15.789   4.347  -1.181
   40   1HD   PRO   6          1HD       PRO   6 -14.532   1.919  -1.229
   41   2HD   PRO   6          2HD       PRO   6 -15.168   2.733  -2.676
   42    H    ASN   7           H        ASN   7 -12.903   4.436   0.553
   43    HA   ASN   7           HA       ASN   7 -10.067   4.759   1.237
   44   1HB   ASN   7          1HB       ASN   7 -12.734   4.781   2.556
   45   2HB   ASN   7          2HB       ASN   7 -11.362   4.355   3.581
   46   1HD2  ASN   7          1HD2      ASN   7 -12.489   6.898   1.304
   47   2HD2  ASN   7          2HD2      ASN   7 -11.576   8.145   2.006
   48    H    ALA   8           H        ALA   8 -12.443   2.428   2.548
   49    HA   ALA   8           HA       ALA   8 -12.088   0.202   3.289
   50   1HB   ALA   8          1HB       ALA   8 -12.401  -0.147   0.934
   51   2HB   ALA   8          2HB       ALA   8 -11.011  -1.131   1.392
   52   3HB   ALA   8          3HB       ALA   8 -10.768   0.411   0.571
   53    H    PHE   9           H        PHE   9 -10.006  -1.553   3.083
   54    HA   PHE   9           HA       PHE   9  -8.024  -0.433   4.903
   55   1HB   PHE   9          1HB       PHE   9  -8.248  -3.087   3.445
   56   2HB   PHE   9          2HB       PHE   9  -7.159  -2.759   4.792
   57    HD1  PHE   9           HD1      PHE   9  -8.436  -1.545   6.869
   58    HD2  PHE   9           HD2      PHE   9 -10.238  -4.163   3.980
   59    HE1  PHE   9           HE1      PHE   9 -10.260  -2.058   8.471
   60    HE2  PHE   9           HE2      PHE   9 -12.060  -4.677   5.581
   61    HZ   PHE   9           HZ       PHE   9 -12.072  -3.625   7.827
   62    H    GLU  10           H        GLU  10  -6.719   1.101   3.825
   63    HA   GLU  10           HA       GLU  10  -5.764   1.019   1.175
   64   1HB   GLU  10          1HB       GLU  10  -5.278   2.411   3.657
   65   2HB   GLU  10          2HB       GLU  10  -3.742   2.099   2.847
   66   1HG   GLU  10          1HG       GLU  10  -4.807   4.259   2.149
   67   2HG   GLU  10          2HG       GLU  10  -4.542   3.146   0.807
   68    H    THR  11           H        THR  11  -3.121   0.880   0.942
   69    HA   THR  11           HA       THR  11  -2.440  -1.918   1.765
   70    HB   THR  11           HB       THR  11  -1.006  -0.393  -0.377
   71    HG1  THR  11           HG1      THR  11  -2.665  -0.557  -1.750
   72   1HG2  THR  11          1HG2      THR  11  -1.639  -3.196   0.357
   73   2HG2  THR  11          2HG2      THR  11  -0.186  -2.525  -0.385
   74   3HG2  THR  11          3HG2      THR  11  -1.616  -2.838  -1.369
   75    H    ASP  12           H        ASP  12   0.270  -1.907   1.415
   76    HA   ASP  12           HA       ASP  12   1.303  -0.762   3.807
   77   1HB   ASP  12          1HB       ASP  12   2.099  -2.508   1.795
   78   2HB   ASP  12          2HB       ASP  12   3.236  -1.168   1.640
   79    H    SER  13           H        SER  13   3.613   0.592   3.206
   80    HA   SER  13           HA       SER  13   2.694   3.272   2.679
   81   1HB   SER  13          1HB       SER  13   4.869   3.828   3.307
   82   2HB   SER  13          2HB       SER  13   4.723   2.226   4.025
   83    HG   SER  13           HG       SER  13   6.030   1.429   2.542
   84    H    ASP  14           H        ASP  14   4.720   1.016   0.798
   85    HA   ASP  14           HA       ASP  14   3.682   1.651  -1.751
   86   1HB   ASP  14          1HB       ASP  14   5.392   3.676  -0.530
   87   2HB   ASP  14          2HB       ASP  14   6.031   3.139  -2.085
   88    H    LEU  15           H        LEU  15   4.254  -0.679  -1.738
   89    HA   LEU  15           HA       LEU  15   6.964  -1.622  -1.506
   90   1HB   LEU  15          1HB       LEU  15   4.366  -2.622  -2.658
   91   2HB   LEU  15          2HB       LEU  15   5.842  -3.559  -2.876
   92    HG   LEU  15           HG       LEU  15   4.720  -4.345  -0.870
   93   1HD1  LEU  15          1HD1      LEU  15   7.318  -3.757  -0.986
   94   2HD1  LEU  15          2HD1      LEU  15   6.580  -4.349   0.503
   95   3HD1  LEU  15          3HD1      LEU  15   6.873  -2.622   0.290
   96   1HD2  LEU  15          1HD2      LEU  15   4.047  -2.913   0.908
   97   2HD2  LEU  15          2HD2      LEU  15   3.522  -2.085  -0.558
   98   3HD2  LEU  15          3HD2      LEU  15   4.984  -1.558   0.276
   99    HA   PRO  16           HA       PRO  16   8.655  -0.742  -5.457
  100   1HB   PRO  16          1HB       PRO  16   9.866  -3.099  -6.164
  101   2HB   PRO  16          2HB       PRO  16  10.502  -2.020  -4.905
  102   1HG   PRO  16          1HG       PRO  16   8.906  -4.518  -4.624
  103   2HG   PRO  16          2HG       PRO  16  10.273  -3.939  -3.660
  104   1HD   PRO  16          1HD       PRO  16   7.691  -3.740  -2.839
  105   2HD   PRO  16          2HD       PRO  16   8.953  -2.582  -2.362
  106    H    ALA  17           H        ALA  17   8.742  -1.734  -7.833
  107    HA   ALA  17           HA       ALA  17   5.978  -2.317  -8.589
  108   1HB   ALA  17          1HB       ALA  17   8.603  -2.025 -10.073
  109   2HB   ALA  17          2HB       ALA  17   7.327  -0.818  -9.915
  110   3HB   ALA  17          3HB       ALA  17   7.056  -2.266 -10.885
  111    H    GLY  18           H        GLY  18   5.156  -4.358  -8.712
  112   1HA   GLY  18          1HA       GLY  18   5.288  -6.580  -9.776
  113   2HA   GLY  18          2HA       GLY  18   7.014  -6.587  -9.424
  114    H    TRP  19           H        TRP  19   5.415  -5.268  -6.789
  115    HA   TRP  19           HA       TRP  19   5.310  -7.952  -5.451
  116   1HB   TRP  19          1HB       TRP  19   6.456  -5.283  -4.722
  117   2HB   TRP  19          2HB       TRP  19   5.850  -6.313  -3.426
  118    HD1  TRP  19           HD1      TRP  19   8.706  -5.915  -5.818
  119    HE1  TRP  19           HE1      TRP  19  10.417  -7.808  -5.462
  120    HE3  TRP  19           HE3      TRP  19   6.017  -8.968  -2.728
  121    HZ2  TRP  19           HZ2      TRP  19  10.619 -10.291  -4.059
  122    HZ3  TRP  19           HZ3      TRP  19   6.994 -11.093  -1.902
  123    HH2  TRP  19           HH2      TRP  19   9.289 -11.756  -2.564
  124    H    MET  20           H        MET  20   3.416  -8.406  -4.362
  125    HA   MET  20           HA       MET  20   1.382  -6.210  -4.159
  126   1HB   MET  20          1HB       MET  20   0.942  -9.186  -4.515
  127   2HB   MET  20          2HB       MET  20  -0.259  -7.910  -4.686
  128   1HG   MET  20          1HG       MET  20   2.210  -8.179  -6.422
  129   2HG   MET  20          2HG       MET  20   0.599  -8.726  -6.885
  130   1HE   MET  20          1HE       MET  20  -1.519  -5.706  -6.358
  131   2HE   MET  20          2HE       MET  20  -1.324  -7.457  -6.381
  132   3HE   MET  20          3HE       MET  20  -1.400  -6.566  -7.900
  133    H    ARG  21           H        ARG  21  -0.241  -6.609  -2.407
  134    HA   ARG  21           HA       ARG  21   0.984  -7.999  -0.044
  135   1HB   ARG  21          1HB       ARG  21   0.965  -5.484  -0.027
  136   2HB   ARG  21          2HB       ARG  21  -0.795  -5.539  -0.132
  137   1HG   ARG  21          1HG       ARG  21  -0.994  -6.585   1.997
  138   2HG   ARG  21          2HG       ARG  21   0.727  -6.971   2.051
  139   1HD   ARG  21          1HD       ARG  21   1.073  -4.381   1.912
  140   2HD   ARG  21          2HD       ARG  21  -0.615  -4.303   2.456
  141    HE   ARG  21           HE       ARG  21   0.934  -6.199   4.016
  142   1HH1  ARG  21          1HH1      ARG  21   0.209  -2.858   3.524
  143   2HH1  ARG  21          2HH1      ARG  21   0.513  -2.418   5.171
  144   1HH2  ARG  21          1HH2      ARG  21   1.309  -5.640   6.170
  145   2HH2  ARG  21          2HH2      ARG  21   1.134  -3.990   6.667
  146    H    VAL  22           H        VAL  22  -0.243  -9.831   0.341
  147    HA   VAL  22           HA       VAL  22  -3.204  -9.638  -0.108
  148    HB   VAL  22           HB       VAL  22  -1.488 -12.124  -0.055
  149   1HG1  VAL  22          1HG1      VAL  22  -3.828 -12.601   0.145
  150   2HG1  VAL  22          2HG1      VAL  22  -3.393 -12.923  -1.534
  151   3HG1  VAL  22          3HG1      VAL  22  -4.236 -11.432  -1.112
  152   1HG2  VAL  22          1HG2      VAL  22  -1.559  -9.993  -2.024
  153   2HG2  VAL  22          2HG2      VAL  22  -2.158 -11.500  -2.718
  154   3HG2  VAL  22          3HG2      VAL  22  -0.551 -11.440  -1.994
  155    H    GLN  23           H        GLN  23  -4.517 -10.954   1.385
  156    HA   GLN  23           HA       GLN  23  -3.265 -11.239   4.093
  157   1HB   GLN  23          1HB       GLN  23  -5.749 -10.766   4.754
  158   2HB   GLN  23          2HB       GLN  23  -4.755  -9.416   4.215
  159   1HG   GLN  23          1HG       GLN  23  -5.679  -9.606   1.955
  160   2HG   GLN  23          2HG       GLN  23  -6.622 -11.017   2.438
  161   1HE2  GLN  23          1HE2      GLN  23  -6.082  -7.854   4.092
  162   2HE2  GLN  23          2HE2      GLN  23  -7.732  -7.486   4.240
  163    H    ASP  24           H        ASP  24  -2.914 -13.500   4.060
  164    HA   ASP  24           HA       ASP  24  -5.219 -15.240   3.307
  165   1HB   ASP  24          1HB       ASP  24  -2.394 -15.271   2.936
  166   2HB   ASP  24          2HB       ASP  24  -2.827 -16.668   3.919
  167    H    THR  25           H        THR  25  -5.000 -17.425   4.754
  168    HA   THR  25           HA       THR  25  -6.006 -16.882   7.320
  169    HB   THR  25           HB       THR  25  -5.220 -19.303   7.725
  170    HG1  THR  25           HG1      THR  25  -4.552 -20.233   5.627
  171   1HG2  THR  25          1HG2      THR  25  -6.820 -20.194   6.099
  172   2HG2  THR  25          2HG2      THR  25  -6.736 -18.697   5.172
  173   3HG2  THR  25          3HG2      THR  25  -7.437 -18.694   6.790
  174    H    SER  26           H        SER  26  -2.733 -18.244   6.763
  175    HA   SER  26           HA       SER  26  -1.602 -17.926   9.251
  176   1HB   SER  26          1HB       SER  26  -0.706 -17.901   6.451
  177   2HB   SER  26          2HB       SER  26   0.416 -17.109   7.553
  178    HG   SER  26           HG       SER  26   0.691 -19.432   7.304
  179    H    GLY  27           H        GLY  27  -1.639 -15.387   6.738
  180   1HA   GLY  27          1HA       GLY  27  -2.289 -13.216   8.369
  181   2HA   GLY  27          2HA       GLY  27  -0.535 -13.371   8.493
  182    H    THR  28           H        THR  28  -0.840 -11.126   7.419
  183    HA   THR  28           HA       THR  28  -1.480 -11.179   4.548
  184    HB   THR  28           HB       THR  28  -0.228  -8.964   6.183
  185    HG1  THR  28           HG1      THR  28  -2.936  -9.779   6.001
  186   1HG2  THR  28          1HG2      THR  28  -1.050  -7.533   4.549
  187   2HG2  THR  28          2HG2      THR  28  -2.328  -8.649   4.068
  188   3HG2  THR  28          3HG2      THR  28  -0.661  -8.954   3.580
  189    H    TYR  29           H        TYR  29   0.037 -11.851   3.087
  190    HA   TYR  29           HA       TYR  29   2.930 -11.459   3.778
  191   1HB   TYR  29          1HB       TYR  29   3.303 -13.429   2.385
  192   2HB   TYR  29          2HB       TYR  29   2.046 -13.793   3.564
  193    HD1  TYR  29           HD1      TYR  29  -0.297 -14.010   2.892
  194    HD2  TYR  29           HD2      TYR  29   2.773 -13.133   0.019
  195    HE1  TYR  29           HE1      TYR  29  -1.863 -14.563   1.050
  196    HE2  TYR  29           HE2      TYR  29   1.208 -13.685  -1.823
  197    HH   TYR  29           HH       TYR  29  -2.010 -15.001  -1.166
  198    H    TYR  30           H        TYR  30   3.872 -11.990   1.150
  199    HA   TYR  30           HA       TYR  30   2.760  -9.689  -0.422
  200   1HB   TYR  30          1HB       TYR  30   5.604 -10.438   0.295
  201   2HB   TYR  30          2HB       TYR  30   5.233  -9.324  -1.022
  202    HD1  TYR  30           HD1      TYR  30   5.037  -7.051  -0.546
  203    HD2  TYR  30           HD2      TYR  30   4.364  -9.915   2.585
  204    HE1  TYR  30           HE1      TYR  30   4.759  -5.203   1.084
  205    HE2  TYR  30           HE2      TYR  30   4.084  -8.065   4.214
  206    HH   TYR  30           HH       TYR  30   5.083  -5.365   4.117
  207    H    TRP  31           H        TRP  31   2.273 -10.274  -2.505
  208    HA   TRP  31           HA       TRP  31   3.192 -12.940  -3.470
  209   1HB   TRP  31          1HB       TRP  31   0.851 -12.690  -3.552
  210   2HB   TRP  31          2HB       TRP  31   0.956 -11.019  -4.095
  211    HD1  TRP  31           HD1      TRP  31   2.917 -13.913  -5.670
  212    HE1  TRP  31           HE1      TRP  31   2.178 -14.165  -8.127
  213    HE3  TRP  31           HE3      TRP  31  -0.916 -10.543  -5.784
  214    HZ2  TRP  31           HZ2      TRP  31   0.218 -13.079  -9.906
  215    HZ3  TRP  31           HZ3      TRP  31  -2.201 -10.171  -7.870
  216    HH2  TRP  31           HH2      TRP  31  -1.640 -11.434  -9.929
  217    H    HIS  32           H        HIS  32   4.894 -12.960  -4.852
  218    HA   HIS  32           HA       HIS  32   5.835 -10.509  -6.160
  219   1HB   HIS  32          1HB       HIS  32   7.046 -12.644  -5.078
  220   2HB   HIS  32          2HB       HIS  32   6.949 -13.228  -6.738
  221    HD1  HIS  32           HD1      HIS  32   9.730 -12.788  -6.019
  222    HD2  HIS  32           HD2      HIS  32   7.362  -9.563  -7.187
  223    HE1  HIS  32           HE1      HIS  32  11.321 -10.967  -6.774
  224    H    ILE  33           H        ILE  33   4.720  -9.887  -7.950
  225    HA   ILE  33           HA       ILE  33   3.157 -11.584  -9.643
  226    HB   ILE  33           HB       ILE  33   4.365  -8.840 -10.106
  227   1HG1  ILE  33          1HG1      ILE  33   1.577  -9.394  -9.110
  228   2HG1  ILE  33          2HG1      ILE  33   2.924  -9.359  -7.973
  229   1HG2  ILE  33          1HG2      ILE  33   3.473  -9.708 -12.168
  230   2HG2  ILE  33          2HG2      ILE  33   2.282  -8.579 -11.525
  231   3HG2  ILE  33          3HG2      ILE  33   2.031 -10.316 -11.355
  232   1HD1  ILE  33          1HD1      ILE  33   1.526  -7.144  -9.093
  233   2HD1  ILE  33          2HD1      ILE  33   3.170  -7.111  -9.730
  234   3HD1  ILE  33          3HD1      ILE  33   2.900  -7.112  -7.987
  235    HA   PRO  34           HA       PRO  34   6.821 -11.179 -12.713
  236   1HB   PRO  34          1HB       PRO  34   9.300 -10.681 -11.670
  237   2HB   PRO  34          2HB       PRO  34   8.194  -9.402 -12.206
  238   1HG   PRO  34          1HG       PRO  34   8.811 -10.345  -9.462
  239   2HG   PRO  34          2HG       PRO  34   8.454  -8.713 -10.045
  240   1HD   PRO  34          1HD       PRO  34   6.666 -10.326  -8.729
  241   2HD   PRO  34          2HD       PRO  34   6.207  -8.988  -9.803
  242    H    THR  35           H        THR  35   8.336 -12.260  -9.627
  243    HA   THR  35           HA       THR  35   9.283 -14.722 -10.945
  244    HB   THR  35           HB       THR  35  10.515 -15.001  -8.917
  245    HG1  THR  35           HG1      THR  35   8.495 -13.345  -7.866
  246   1HG2  THR  35          1HG2      THR  35  10.740 -12.742 -10.382
  247   2HG2  THR  35          2HG2      THR  35  11.776 -13.092  -8.999
  248   3HG2  THR  35          3HG2      THR  35  10.377 -12.037  -8.808
  249    H    GLY  36           H        GLY  36   6.767 -13.755  -8.660
  250   1HA   GLY  36          1HA       GLY  36   4.733 -15.014  -8.331
  251   2HA   GLY  36          2HA       GLY  36   5.555 -16.446  -8.956
  252    H    THR  37           H        THR  37   7.863 -15.375  -7.067
  253    HA   THR  37           HA       THR  37   7.500 -17.271  -4.970
  254    HB   THR  37           HB       THR  37   9.114 -14.734  -4.771
  255    HG1  THR  37           HG1      THR  37  10.218 -15.305  -6.448
  256   1HG2  THR  37          1HG2      THR  37   8.947 -16.752  -3.052
  257   2HG2  THR  37          2HG2      THR  37  10.481 -15.941  -3.368
  258   3HG2  THR  37          3HG2      THR  37  10.114 -17.475  -4.158
  259    H    THR  38           H        THR  38   7.114 -16.824  -2.677
  260    HA   THR  38           HA       THR  38   5.405 -14.396  -2.213
  261    HB   THR  38           HB       THR  38   4.704 -16.363  -0.353
  262    HG1  THR  38           HG1      THR  38   4.871 -18.234  -1.300
  263   1HG2  THR  38          1HG2      THR  38   3.101 -14.933  -1.435
  264   2HG2  THR  38          2HG2      THR  38   2.677 -16.594  -1.850
  265   3HG2  THR  38          3HG2      THR  38   3.516 -15.579  -3.023
  266    H    GLN  39           H        GLN  39   5.544 -13.525   0.005
  267    HA   GLN  39           HA       GLN  39   7.890 -14.473   1.594
  268   1HB   GLN  39          1HB       GLN  39   7.351 -11.615   0.723
  269   2HB   GLN  39          2HB       GLN  39   8.720 -12.163   1.691
  270   1HG   GLN  39          1HG       GLN  39   9.001 -13.833  -0.395
  271   2HG   GLN  39          2HG       GLN  39   8.210 -12.492  -1.225
  272   1HE2  GLN  39          1HE2      GLN  39  11.172 -13.533  -1.071
  273   2HE2  GLN  39          2HE2      GLN  39  12.057 -12.111  -0.795
  274    H    TRP  40           H        TRP  40   7.607 -11.916   3.176
  275    HA   TRP  40           HA       TRP  40   4.928 -12.292   4.434
  276   1HB   TRP  40          1HB       TRP  40   6.672 -13.812   5.444
  277   2HB   TRP  40          2HB       TRP  40   7.579 -12.376   5.909
  278    HD1  TRP  40           HD1      TRP  40   6.945 -11.260   8.109
  279    HE1  TRP  40           HE1      TRP  40   5.024 -11.522   9.810
  280    HE3  TRP  40           HE3      TRP  40   3.935 -14.491   5.545
  281    HZ2  TRP  40           HZ2      TRP  40   2.537 -12.919  10.049
  282    HZ3  TRP  40           HZ3      TRP  40   1.800 -15.271   6.531
  283    HH2  TRP  40           HH2      TRP  40   1.096 -14.489   8.777
  284    H    GLU  41           H        GLU  41   8.042 -10.585   4.881
  285    HA   GLU  41           HA       GLU  41   6.616  -8.144   5.758
  286   1HB   GLU  41          1HB       GLU  41   9.540  -8.914   5.470
  287   2HB   GLU  41          2HB       GLU  41   8.977  -7.398   6.173
  288   1HG   GLU  41          1HG       GLU  41   7.486  -9.294   7.531
  289   2HG   GLU  41          2HG       GLU  41   9.054 -10.081   7.351
  290    HA   PRO  42           HA       PRO  42   6.958  -6.034   1.924
  291   1HB   PRO  42          1HB       PRO  42   7.584  -3.491   2.716
  292   2HB   PRO  42          2HB       PRO  42   5.978  -4.206   2.950
  293   1HG   PRO  42          1HG       PRO  42   8.192  -3.848   4.900
  294   2HG   PRO  42          2HG       PRO  42   6.444  -3.704   5.136
  295   1HD   PRO  42          1HD       PRO  42   7.918  -5.883   5.896
  296   2HD   PRO  42          2HD       PRO  42   6.184  -5.939   5.515
  297    HA   PRO  43           HA       PRO  43  11.386  -6.294   1.257
  298   1HB   PRO  43          1HB       PRO  43  11.246  -6.397  -1.472
  299   2HB   PRO  43          2HB       PRO  43  10.920  -7.802  -0.437
  300   1HG   PRO  43          1HG       PRO  43   9.019  -6.000  -1.833
  301   2HG   PRO  43          2HG       PRO  43   8.915  -7.741  -1.535
  302   1HD   PRO  43          1HD       PRO  43   7.557  -5.831  -0.095
  303   2HD   PRO  43          2HD       PRO  43   7.947  -7.456   0.506
  304    H    GLY  44           H        GLY  44  12.968  -4.768   0.515
  305   1HA   GLY  44          1HA       GLY  44  13.786  -2.694  -0.238
  306   2HA   GLY  44          2HA       GLY  44  12.261  -2.468  -1.096
  307    H    ARG  45           H        ARG  45  12.187  -3.172   2.308
  308    HA   ARG  45           HA       ARG  45  11.864  -0.293   2.991
  309   1HB   ARG  45          1HB       ARG  45   9.691  -1.473   2.222
  310   2HB   ARG  45          2HB       ARG  45   9.791  -2.353   3.747
  311   1HG   ARG  45          1HG       ARG  45  10.243   0.313   4.457
  312   2HG   ARG  45          2HG       ARG  45   8.948   0.390   3.262
  313   1HD   ARG  45          1HD       ARG  45   7.557  -0.142   4.988
  314   2HD   ARG  45          2HD       ARG  45   8.224  -1.781   4.854
  315    HE   ARG  45           HE       ARG  45   9.605   0.271   6.533
  316   1HH1  ARG  45          1HH1      ARG  45   7.380  -1.078   7.968
  317   2HH1  ARG  45          2HH1      ARG  45   8.165  -2.456   8.667
  318   1HH2  ARG  45          1HH2      ARG  45  10.947  -2.249   6.607
  319   2HH2  ARG  45          2HH2      ARG  45  10.185  -3.119   7.896
  320    H    ALA  46           H        ALA  46  11.998  -3.662   4.095
  321    HA   ALA  46           HA       ALA  46  12.840  -2.733   6.807
  322   1HB   ALA  46          1HB       ALA  46  11.019  -4.598   5.958
  323   2HB   ALA  46          2HB       ALA  46  11.782  -4.616   7.548
  324   3HB   ALA  46          3HB       ALA  46  12.439  -5.607   6.244
  325    H    SER  47           H        SER  47  15.064  -2.295   6.515
  326    HA   SER  47           HA       SER  47  16.815  -4.637   6.277
  327   1HB   SER  47          1HB       SER  47  16.357  -4.146   3.935
  328   2HB   SER  47          2HB       SER  47  16.722  -2.442   4.183
  329    HG   SER  47           HG       SER  47  18.742  -2.914   3.910
  330    HA   PRO  48           HA       PRO  48  18.915  -1.795   8.974
  331   1HB   PRO  48          1HB       PRO  48  21.063  -3.400   9.519
  332   2HB   PRO  48          2HB       PRO  48  19.466  -3.642  10.254
  333   1HG   PRO  48          1HG       PRO  48  20.747  -5.088   7.994
  334   2HG   PRO  48          2HG       PRO  48  19.711  -5.706   9.291
  335   1HD   PRO  48          1HD       PRO  48  18.842  -5.221   6.740
  336   2HD   PRO  48          2HD       PRO  48  17.788  -5.196   8.170
  337    H    SER  49           H        SER  49  21.618  -1.444   9.123
  338    HA   SER  49           HA       SER  49  22.970  -1.434   6.556
  339   1HB   SER  49          1HB       SER  49  21.144   0.737   7.309
  340   2HB   SER  49          2HB       SER  49  22.756   1.311   6.894
  341    HG   SER  49           HG       SER  49  20.844   0.563   5.258
  342    H    GLN  50           H        GLN  50  24.879   0.332   6.767
  343    HA   GLN  50           HA       GLN  50  26.490  -0.416   8.999
  344   1HB   GLN  50          1HB       GLN  50  26.747   0.913   6.576
  345   2HB   GLN  50          2HB       GLN  50  27.097   2.174   7.760
  346   1HG   GLN  50          1HG       GLN  50  29.013   1.154   8.482
  347   2HG   GLN  50          2HG       GLN  50  28.351  -0.467   8.270
  348   1HE2  GLN  50          1HE2      GLN  50  29.902   2.232   6.544
  349   2HE2  GLN  50          2HE2      GLN  50  30.331   1.328   5.172
  Start of MODEL    5
    1    H    ASP   1           H        ASP   1 -17.440   9.076  22.185
    2    HA   ASP   1           HA       ASP   1 -19.176   8.609  20.727
    3   1HB   ASP   1          1HB       ASP   1 -17.627  10.829  20.516
    4   2HB   ASP   1          2HB       ASP   1 -17.552  10.246  18.853
    5    H    SER   2           H        SER   2 -16.068   7.560  19.610
    6    HA   SER   2           HA       SER   2 -17.341   6.247  17.231
    7   1HB   SER   2          1HB       SER   2 -14.391   6.501  17.472
    8   2HB   SER   2          2HB       SER   2 -15.427   6.757  16.070
    9    HG   SER   2           HG       SER   2 -16.122   8.715  17.125
   10    H    PHE   3           H        PHE   3 -16.115   4.127  16.663
   11    HA   PHE   3           HA       PHE   3 -14.936   2.701  18.965
   12   1HB   PHE   3          1HB       PHE   3 -17.522   2.719  19.077
   13   2HB   PHE   3          2HB       PHE   3 -17.460   1.638  17.685
   14    HD1  PHE   3           HD1      PHE   3 -15.276   1.923  20.719
   15    HD2  PHE   3           HD2      PHE   3 -17.951  -0.529  18.419
   16    HE1  PHE   3           HE1      PHE   3 -14.815   0.007  22.224
   17    HE2  PHE   3           HE2      PHE   3 -17.489  -2.445  19.925
   18    HZ   PHE   3           HZ       PHE   3 -15.921  -2.177  21.827
   19    H    TRP   4           H        TRP   4 -16.625   1.812  15.926
   20    HA   TRP   4           HA       TRP   4 -14.891  -0.283  15.168
   21   1HB   TRP   4          1HB       TRP   4 -16.667   1.660  13.686
   22   2HB   TRP   4          2HB       TRP   4 -15.800   0.383  12.832
   23    HD1  TRP   4           HD1      TRP   4 -17.556   0.223  16.270
   24    HE1  TRP   4           HE1      TRP   4 -19.279  -1.693  16.203
   25    HE3  TRP   4           HE3      TRP   4 -17.080  -1.220  11.394
   26    HZ2  TRP   4           HZ2      TRP   4 -20.319  -3.586  14.328
   27    HZ3  TRP   4           HZ3      TRP   4 -18.449  -3.081  10.495
   28    HH2  TRP   4           HH2      TRP   4 -20.065  -4.265  11.954
   29    H    ASN   5           H        ASN   5 -13.614   0.002  12.909
   30    HA   ASN   5           HA       ASN   5 -11.240   1.465  13.428
   31   1HB   ASN   5          1HB       ASN   5 -12.534   0.015  11.193
   32   2HB   ASN   5          2HB       ASN   5 -11.297   1.175  10.709
   33   1HD2  ASN   5          1HD2      ASN   5 -10.677  -1.482  10.276
   34   2HD2  ASN   5          2HD2      ASN   5  -9.533  -2.022  11.408
   35    HA   PRO   6           HA       PRO   6 -12.253   5.569  12.243
   36   1HB   PRO   6          1HB       PRO   6  -9.830   6.438  11.321
   37   2HB   PRO   6          2HB       PRO   6 -10.172   6.181  13.043
   38   1HG   PRO   6          1HG       PRO   6  -8.697   4.450  11.129
   39   2HG   PRO   6          2HG       PRO   6  -8.380   4.768  12.840
   40   1HD   PRO   6          1HD       PRO   6  -9.583   2.493  11.906
   41   2HD   PRO   6          2HD       PRO   6  -9.825   3.145  13.541
   42    H    ASN   7           H        ASN   7 -10.486   3.612   9.872
   43    HA   ASN   7           HA       ASN   7 -12.210   4.740   7.720
   44   1HB   ASN   7          1HB       ASN   7 -10.187   6.125   7.815
   45   2HB   ASN   7          2HB       ASN   7  -9.175   4.681   7.747
   46   1HD2  ASN   7          1HD2      ASN   7 -11.829   6.236   5.851
   47   2HD2  ASN   7          2HD2      ASN   7 -11.195   5.802   4.337
   48    H    ALA   8           H        ALA   8 -12.156   2.118   9.009
   49    HA   ALA   8           HA       ALA   8 -12.081  -0.175   8.426
   50   1HB   ALA   8          1HB       ALA   8 -12.026   0.347   5.552
   51   2HB   ALA   8          2HB       ALA   8 -13.171   1.396   6.389
   52   3HB   ALA   8          3HB       ALA   8 -13.313  -0.355   6.532
   53    H    PHE   9           H        PHE   9 -10.943  -1.309   6.040
   54    HA   PHE   9           HA       PHE   9  -8.146  -1.436   6.816
   55   1HB   PHE   9          1HB       PHE   9  -8.066  -3.107   5.077
   56   2HB   PHE   9          2HB       PHE   9  -9.631  -3.269   5.870
   57    HD1  PHE   9           HD1      PHE   9  -7.880  -2.257   2.811
   58    HD2  PHE   9           HD2      PHE   9 -11.692  -2.465   4.777
   59    HE1  PHE   9           HE1      PHE   9  -9.018  -1.858   0.646
   60    HE2  PHE   9           HE2      PHE   9 -12.832  -2.066   2.611
   61    HZ   PHE   9           HZ       PHE   9 -11.494  -1.762   0.545
   62    H    GLU  10           H        GLU  10  -6.920  -1.591   4.275
   63    HA   GLU  10           HA       GLU  10  -7.354   0.956   2.859
   64   1HB   GLU  10          1HB       GLU  10  -5.731   0.861   5.132
   65   2HB   GLU  10          2HB       GLU  10  -4.590   0.777   3.788
   66   1HG   GLU  10          1HG       GLU  10  -5.246   2.846   2.925
   67   2HG   GLU  10          2HG       GLU  10  -6.823   2.786   3.715
   68    H    THR  11           H        THR  11  -6.312   0.942   0.810
   69    HA   THR  11           HA       THR  11  -5.756  -1.559  -0.411
   70    HB   THR  11           HB       THR  11  -4.545   1.035  -1.339
   71    HG1  THR  11           HG1      THR  11  -6.906   1.167  -2.191
   72   1HG2  THR  11          1HG2      THR  11  -4.428  -0.139  -3.250
   73   2HG2  THR  11          2HG2      THR  11  -6.185  -0.285  -3.254
   74   3HG2  THR  11          3HG2      THR  11  -5.200  -1.515  -2.464
   75    H    ASP  12           H        ASP  12  -3.369  -1.417  -1.741
   76    HA   ASP  12           HA       ASP  12  -1.444  -2.530  -0.069
   77   1HB   ASP  12          1HB       ASP  12   0.127  -1.870  -1.887
   78   2HB   ASP  12          2HB       ASP  12  -1.390  -2.500  -2.528
   79    H    SER  13           H        SER  13   0.364  -1.684   1.085
   80    HA   SER  13           HA       SER  13  -0.011   0.985   2.223
   81   1HB   SER  13          1HB       SER  13   2.166   0.222   3.399
   82   2HB   SER  13          2HB       SER  13   0.714  -0.732   3.690
   83    HG   SER  13           HG       SER  13   2.567  -2.001   3.131
   84    H    ASP  14           H        ASP  14   2.800  -0.556   0.643
   85    HA   ASP  14           HA       ASP  14   3.267   1.569  -1.232
   86   1HB   ASP  14          1HB       ASP  14   3.839   2.165   1.462
   87   2HB   ASP  14          2HB       ASP  14   5.407   1.872   0.708
   88    H    LEU  15           H        LEU  15   3.408  -1.218  -1.453
   89    HA   LEU  15           HA       LEU  15   6.088  -2.260  -1.113
   90   1HB   LEU  15          1HB       LEU  15   3.589  -3.027  -2.616
   91   2HB   LEU  15          2HB       LEU  15   5.074  -3.948  -2.839
   92    HG   LEU  15           HG       LEU  15   3.615  -4.901  -1.051
   93   1HD1  LEU  15          1HD1      LEU  15   6.184  -4.998  -1.071
   94   2HD1  LEU  15          2HD1      LEU  15   5.394  -5.309   0.475
   95   3HD1  LEU  15          3HD1      LEU  15   6.128  -3.736   0.159
   96   1HD2  LEU  15          1HD2      LEU  15   3.310  -3.674   1.027
   97   2HD2  LEU  15          2HD2      LEU  15   2.724  -2.672  -0.301
   98   3HD2  LEU  15          3HD2      LEU  15   4.296  -2.341   0.427
   99    HA   PRO  16           HA       PRO  16   8.115  -0.839  -4.736
  100   1HB   PRO  16          1HB       PRO  16   9.297  -3.110  -5.720
  101   2HB   PRO  16          2HB       PRO  16   9.875  -2.268  -4.267
  102   1HG   PRO  16          1HG       PRO  16   8.149  -4.689  -4.488
  103   2HG   PRO  16          2HG       PRO  16   9.487  -4.360  -3.375
  104   1HD   PRO  16          1HD       PRO  16   6.902  -4.141  -2.633
  105   2HD   PRO  16          2HD       PRO  16   8.175  -3.095  -1.963
  106    H    ALA  17           H        ALA  17   8.530  -2.178  -7.194
  107    HA   ALA  17           HA       ALA  17   5.757  -2.161  -8.257
  108   1HB   ALA  17          1HB       ALA  17   7.011  -0.807  -9.616
  109   2HB   ALA  17          2HB       ALA  17   7.420  -2.331 -10.404
  110   3HB   ALA  17          3HB       ALA  17   8.515  -1.632  -9.212
  111    H    GLY  18           H        GLY  18   4.746  -4.067  -8.671
  112   1HA   GLY  18          1HA       GLY  18   4.671  -6.205  -9.833
  113   2HA   GLY  18          2HA       GLY  18   6.393  -6.403  -9.511
  114    H    TRP  19           H        TRP  19   5.604  -5.312  -6.649
  115    HA   TRP  19           HA       TRP  19   5.105  -8.042  -5.575
  116   1HB   TRP  19          1HB       TRP  19   6.205  -5.429  -4.591
  117   2HB   TRP  19          2HB       TRP  19   5.598  -6.590  -3.409
  118    HD1  TRP  19           HD1      TRP  19   8.441  -5.965  -5.806
  119    HE1  TRP  19           HE1      TRP  19  10.204  -7.826  -5.557
  120    HE3  TRP  19           HE3      TRP  19   5.877  -9.220  -2.814
  121    HZ2  TRP  19           HZ2      TRP  19  10.491 -10.360  -4.265
  122    HZ3  TRP  19           HZ3      TRP  19   6.921 -11.351  -2.095
  123    HH2  TRP  19           HH2      TRP  19   9.223 -11.923  -2.817
  124    H    MET  20           H        MET  20   3.228  -8.557  -4.452
  125    HA   MET  20           HA       MET  20   1.124  -6.423  -4.314
  126   1HB   MET  20          1HB       MET  20   0.780  -9.427  -4.405
  127   2HB   MET  20          2HB       MET  20  -0.443  -8.204  -4.721
  128   1HG   MET  20          1HG       MET  20   1.813  -7.752  -6.446
  129   2HG   MET  20          2HG       MET  20   1.289  -9.429  -6.597
  130   1HE   MET  20          1HE       MET  20  -0.875  -5.677  -6.526
  131   2HE   MET  20          2HE       MET  20  -0.194  -5.680  -8.151
  132   3HE   MET  20          3HE       MET  20   0.856  -5.949  -6.762
  133    H    ARG  21           H        ARG  21  -0.419  -6.694  -2.497
  134    HA   ARG  21           HA       ARG  21   0.872  -7.904  -0.072
  135   1HB   ARG  21          1HB       ARG  21   0.720  -5.341  -0.363
  136   2HB   ARG  21          2HB       ARG  21  -1.017  -5.542  -0.132
  137   1HG   ARG  21          1HG       ARG  21  -0.554  -6.711   2.025
  138   2HG   ARG  21          2HG       ARG  21   1.162  -6.368   1.807
  139   1HD   ARG  21          1HD       ARG  21   0.746  -3.966   1.865
  140   2HD   ARG  21          2HD       ARG  21  -1.007  -4.241   1.927
  141    HE   ARG  21           HE       ARG  21  -0.374  -5.629   4.077
  142   1HH1  ARG  21          1HH1      ARG  21  -0.930  -2.752   4.573
  143   2HH1  ARG  21          2HH1      ARG  21   0.496  -2.231   5.406
  144   1HH2  ARG  21          1HH2      ARG  21   2.384  -4.975   4.441
  145   2HH2  ARG  21          2HH2      ARG  21   2.373  -3.488   5.329
  146    H    VAL  22           H        VAL  22  -0.310  -9.836   0.080
  147    HA   VAL  22           HA       VAL  22  -3.285  -9.662  -0.163
  148    HB   VAL  22           HB       VAL  22  -1.514 -12.107  -0.025
  149   1HG1  VAL  22          1HG1      VAL  22  -4.230 -11.632  -1.283
  150   2HG1  VAL  22          2HG1      VAL  22  -3.972 -12.383   0.293
  151   3HG1  VAL  22          3HG1      VAL  22  -3.385 -13.175  -1.169
  152   1HG2  VAL  22          1HG2      VAL  22  -2.348 -11.535  -2.697
  153   2HG2  VAL  22          2HG2      VAL  22  -0.701 -11.613  -2.070
  154   3HG2  VAL  22          3HG2      VAL  22  -1.581 -10.084  -2.053
  155    H    GLN  23           H        GLN  23  -4.538 -10.914   1.436
  156    HA   GLN  23           HA       GLN  23  -3.196 -11.039   4.110
  157   1HB   GLN  23          1HB       GLN  23  -5.676 -10.565   4.822
  158   2HB   GLN  23          2HB       GLN  23  -4.694  -9.234   4.220
  159   1HG   GLN  23          1HG       GLN  23  -5.660  -9.522   1.975
  160   2HG   GLN  23          2HG       GLN  23  -6.622 -10.883   2.554
  161   1HE2  GLN  23          1HE2      GLN  23  -6.059  -8.017   4.565
  162   2HE2  GLN  23          2HE2      GLN  23  -7.657  -7.449   4.508
  163    H    ASP  24           H        ASP  24  -2.762 -13.355   3.591
  164    HA   ASP  24           HA       ASP  24  -4.962 -15.185   3.092
  165   1HB   ASP  24          1HB       ASP  24  -2.093 -15.156   3.251
  166   2HB   ASP  24          2HB       ASP  24  -2.719 -16.522   4.172
  167    H    THR  25           H        THR  25  -5.613 -16.895   4.642
  168    HA   THR  25           HA       THR  25  -6.491 -15.958   7.148
  169    HB   THR  25           HB       THR  25  -6.536 -18.538   7.591
  170    HG1  THR  25           HG1      THR  25  -4.919 -19.049   6.096
  171   1HG2  THR  25          1HG2      THR  25  -8.159 -16.777   6.146
  172   2HG2  THR  25          2HG2      THR  25  -8.616 -18.372   6.744
  173   3HG2  THR  25          3HG2      THR  25  -7.997 -18.191   5.103
  174    H    SER  26           H        SER  26  -3.342 -17.100   6.204
  175    HA   SER  26           HA       SER  26  -2.454 -17.692   8.942
  176   1HB   SER  26          1HB       SER  26  -1.389 -17.760   6.159
  177   2HB   SER  26          2HB       SER  26  -0.209 -17.627   7.460
  178    HG   SER  26           HG       SER  26  -1.618 -19.428   8.395
  179    H    GLY  27           H        GLY  27  -2.242 -15.026   6.633
  180   1HA   GLY  27          1HA       GLY  27  -1.985 -12.923   8.376
  181   2HA   GLY  27          2HA       GLY  27  -0.331 -13.524   8.263
  182    H    THR  28           H        THR  28  -0.865 -10.971   7.362
  183    HA   THR  28           HA       THR  28  -1.408 -10.955   4.489
  184    HB   THR  28           HB       THR  28  -0.065  -8.744   6.013
  185    HG1  THR  28           HG1      THR  28  -2.806  -9.423   6.237
  186   1HG2  THR  28          1HG2      THR  28  -1.360  -7.343   4.605
  187   2HG2  THR  28          2HG2      THR  28  -2.471  -8.650   4.194
  188   3HG2  THR  28          3HG2      THR  28  -0.826  -8.658   3.558
  189    H    TYR  29           H        TYR  29   0.112 -11.695   3.055
  190    HA   TYR  29           HA       TYR  29   3.003 -11.284   3.757
  191   1HB   TYR  29          1HB       TYR  29   3.391 -13.280   2.393
  192   2HB   TYR  29          2HB       TYR  29   2.165 -13.625   3.609
  193    HD1  TYR  29           HD1      TYR  29  -0.230 -13.760   2.982
  194    HD2  TYR  29           HD2      TYR  29   2.850 -13.198   0.042
  195    HE1  TYR  29           HE1      TYR  29  -1.825 -14.389   1.190
  196    HE2  TYR  29           HE2      TYR  29   1.256 -13.827  -1.750
  197    HH   TYR  29           HH       TYR  29  -0.831 -15.102  -1.988
  198    H    TYR  30           H        TYR  30   4.003 -11.857   1.188
  199    HA   TYR  30           HA       TYR  30   2.897  -9.624  -0.483
  200   1HB   TYR  30          1HB       TYR  30   5.766 -10.357   0.187
  201   2HB   TYR  30          2HB       TYR  30   5.313  -9.138  -1.005
  202    HD1  TYR  30           HD1      TYR  30   6.117  -9.676   2.395
  203    HD2  TYR  30           HD2      TYR  30   3.566  -7.334  -0.146
  204    HE1  TYR  30           HE1      TYR  30   5.853  -7.998   4.203
  205    HE2  TYR  30           HE2      TYR  30   3.303  -5.657   1.660
  206    HH   TYR  30           HH       TYR  30   3.853  -6.166   4.733
  207    H    TRP  31           H        TRP  31   2.371 -10.351  -2.506
  208    HA   TRP  31           HA       TRP  31   3.412 -12.998  -3.389
  209   1HB   TRP  31          1HB       TRP  31   1.054 -12.853  -3.435
  210   2HB   TRP  31          2HB       TRP  31   1.079 -11.213  -4.067
  211    HD1  TRP  31           HD1      TRP  31   3.305 -13.879  -5.608
  212    HE1  TRP  31           HE1      TRP  31   2.485 -14.376  -8.003
  213    HE3  TRP  31           HE3      TRP  31  -1.048 -11.210  -5.621
  214    HZ2  TRP  31           HZ2      TRP  31   0.273 -13.726  -9.697
  215    HZ3  TRP  31           HZ3      TRP  31  -2.491 -11.167  -7.635
  216    HH2  TRP  31           HH2      TRP  31  -1.837 -12.420  -9.672
  217    H    HIS  32           H        HIS  32   5.188 -12.906  -4.683
  218    HA   HIS  32           HA       HIS  32   5.932 -10.499  -6.162
  219   1HB   HIS  32          1HB       HIS  32   7.264 -12.548  -5.005
  220   2HB   HIS  32          2HB       HIS  32   7.232 -13.133  -6.668
  221    HD1  HIS  32           HD1      HIS  32   9.959 -12.423  -5.769
  222    HD2  HIS  32           HD2      HIS  32   7.376  -9.511  -7.258
  223    HE1  HIS  32           HE1      HIS  32  11.415 -10.499  -6.540
  224    H    ILE  33           H        ILE  33   4.726 -10.045  -7.939
  225    HA   ILE  33           HA       ILE  33   3.295 -11.944  -9.537
  226    HB   ILE  33           HB       ILE  33   4.202  -9.105 -10.091
  227   1HG1  ILE  33          1HG1      ILE  33   1.669 -10.186  -8.806
  228   2HG1  ILE  33          2HG1      ILE  33   2.976  -9.365  -7.952
  229   1HG2  ILE  33          1HG2      ILE  33   2.887 -10.956 -11.754
  230   2HG2  ILE  33          2HG2      ILE  33   3.002  -9.213 -11.995
  231   3HG2  ILE  33          3HG2      ILE  33   1.617  -9.896 -11.143
  232   1HD1  ILE  33          1HD1      ILE  33   2.418  -7.610 -10.009
  233   2HD1  ILE  33          2HD1      ILE  33   1.813  -7.464  -8.358
  234   3HD1  ILE  33          3HD1      ILE  33   0.821  -8.236  -9.596
  235    HA   PRO  34           HA       PRO  34   6.862 -11.282 -12.686
  236   1HB   PRO  34          1HB       PRO  34   9.352 -10.794 -11.660
  237   2HB   PRO  34          2HB       PRO  34   8.225  -9.512 -12.142
  238   1HG   PRO  34          1HG       PRO  34   8.873 -10.543  -9.435
  239   2HG   PRO  34          2HG       PRO  34   8.516  -8.891  -9.961
  240   1HD   PRO  34          1HD       PRO  34   6.734 -10.520  -8.679
  241   2HD   PRO  34          2HD       PRO  34   6.262  -9.176  -9.741
  242    H    THR  35           H        THR  35   8.548 -12.426  -9.714
  243    HA   THR  35           HA       THR  35   9.371 -14.879 -11.133
  244    HB   THR  35           HB       THR  35  10.940 -13.752  -9.673
  245    HG1  THR  35           HG1      THR  35   9.880 -16.078  -8.444
  246   1HG2  THR  35          1HG2      THR  35   9.700 -12.484  -8.173
  247   2HG2  THR  35          2HG2      THR  35  10.257 -13.792  -7.129
  248   3HG2  THR  35          3HG2      THR  35   8.617 -13.819  -7.779
  249    H    GLY  36           H        GLY  36   6.901 -13.880  -8.873
  250   1HA   GLY  36          1HA       GLY  36   4.925 -15.152  -8.391
  251   2HA   GLY  36          2HA       GLY  36   5.742 -16.598  -8.986
  252    H    THR  37           H        THR  37   8.115 -15.535  -7.217
  253    HA   THR  37           HA       THR  37   7.787 -17.330  -5.041
  254    HB   THR  37           HB       THR  37   9.402 -14.792  -4.922
  255    HG1  THR  37           HG1      THR  37  10.030 -17.114  -6.422
  256   1HG2  THR  37          1HG2      THR  37   9.339 -16.643  -3.117
  257   2HG2  THR  37          2HG2      THR  37  10.916 -16.076  -3.668
  258   3HG2  THR  37          3HG2      THR  37  10.264 -17.599  -4.274
  259    H    THR  38           H        THR  38   7.410 -16.828  -2.766
  260    HA   THR  38           HA       THR  38   5.725 -14.378  -2.343
  261    HB   THR  38           HB       THR  38   4.855 -16.131  -0.468
  262    HG1  THR  38           HG1      THR  38   5.138 -18.149  -1.078
  263   1HG2  THR  38          1HG2      THR  38   4.007 -16.147  -3.377
  264   2HG2  THR  38          2HG2      THR  38   3.498 -14.957  -2.180
  265   3HG2  THR  38          3HG2      THR  38   3.018 -16.644  -2.004
  266    H    GLN  39           H        GLN  39   5.785 -13.588  -0.049
  267    HA   GLN  39           HA       GLN  39   8.122 -14.480   1.556
  268   1HB   GLN  39          1HB       GLN  39   7.708 -11.709   0.387
  269   2HB   GLN  39          2HB       GLN  39   8.919 -12.089   1.613
  270   1HG   GLN  39          1HG       GLN  39   9.572 -13.998  -0.116
  271   2HG   GLN  39          2HG       GLN  39   8.823 -12.890  -1.266
  272   1HE2  GLN  39          1HE2      GLN  39  11.302 -12.913  -1.955
  273   2HE2  GLN  39          2HE2      GLN  39  12.262 -11.703  -1.252
  274    H    TRP  40           H        TRP  40   8.058 -12.159   3.263
  275    HA   TRP  40           HA       TRP  40   5.256 -12.090   4.286
  276   1HB   TRP  40          1HB       TRP  40   7.743 -12.939   5.804
  277   2HB   TRP  40          2HB       TRP  40   6.165 -12.674   6.546
  278    HD1  TRP  40           HD1      TRP  40   8.162 -15.199   4.639
  279    HE1  TRP  40           HE1      TRP  40   6.738 -17.306   4.219
  280    HE3  TRP  40           HE3      TRP  40   3.573 -13.462   6.059
  281    HZ2  TRP  40           HZ2      TRP  40   4.014 -18.145   4.453
  282    HZ3  TRP  40           HZ3      TRP  40   1.583 -14.935   5.949
  283    HH2  TRP  40           HH2      TRP  40   1.797 -17.272   5.149
  284    H    GLU  41           H        GLU  41   8.578 -10.828   4.452
  285    HA   GLU  41           HA       GLU  41   7.678  -8.420   5.924
  286   1HB   GLU  41          1HB       GLU  41  10.397  -9.171   4.806
  287   2HB   GLU  41          2HB       GLU  41  10.061  -7.984   6.069
  288   1HG   GLU  41          1HG       GLU  41   9.437  -9.653   7.631
  289   2HG   GLU  41          2HG       GLU  41   9.259 -10.879   6.375
  290    HA   PRO  42           HA       PRO  42   7.371  -5.855   2.375
  291   1HB   PRO  42          1HB       PRO  42   8.380  -3.488   3.303
  292   2HB   PRO  42          2HB       PRO  42   6.801  -4.125   3.802
  293   1HG   PRO  42          1HG       PRO  42   9.403  -4.178   5.239
  294   2HG   PRO  42          2HG       PRO  42   7.767  -3.950   5.873
  295   1HD   PRO  42          1HD       PRO  42   9.148  -6.307   6.033
  296   2HD   PRO  42          2HD       PRO  42   7.374  -6.194   6.029
  297    HA   PRO  43           HA       PRO  43  11.573  -6.397   0.825
  298   1HB   PRO  43          1HB       PRO  43  10.846  -6.467  -1.812
  299   2HB   PRO  43          2HB       PRO  43  10.709  -7.873  -0.736
  300   1HG   PRO  43          1HG       PRO  43   8.607  -5.984  -1.659
  301   2HG   PRO  43          2HG       PRO  43   8.518  -7.732  -1.393
  302   1HD   PRO  43          1HD       PRO  43   7.542  -5.871   0.359
  303   2HD   PRO  43          2HD       PRO  43   8.072  -7.499   0.834
  304    H    GLY  44           H        GLY  44  11.839  -4.072   1.591
  305   1HA   GLY  44          1HA       GLY  44  11.889  -2.246  -0.771
  306   2HA   GLY  44          2HA       GLY  44  11.268  -1.672   0.777
  307    H    ARG  45           H        ARG  45  14.051  -3.813   0.244
  308    HA   ARG  45           HA       ARG  45  15.731  -1.857   1.746
  309   1HB   ARG  45          1HB       ARG  45  15.745  -4.815   1.198
  310   2HB   ARG  45          2HB       ARG  45  17.234  -4.017   1.703
  311   1HG   ARG  45          1HG       ARG  45  16.161  -3.186   3.723
  312   2HG   ARG  45          2HG       ARG  45  14.606  -3.836   3.202
  313   1HD   ARG  45          1HD       ARG  45  15.525  -6.130   3.285
  314   2HD   ARG  45          2HD       ARG  45  17.089  -5.480   3.818
  315    HE   ARG  45           HE       ARG  45  16.117  -5.409   5.963
  316   1HH1  ARG  45          1HH1      ARG  45  13.583  -6.771   5.135
  317   2HH1  ARG  45          2HH1      ARG  45  12.385  -5.584   5.532
  318   1HH2  ARG  45          1HH2      ARG  45  14.663  -2.983   5.785
  319   2HH2  ARG  45          2HH2      ARG  45  12.997  -3.440   5.900
  320    H    ALA  46           H        ALA  46  15.004  -1.751  -1.233
  321    HA   ALA  46           HA       ALA  46  17.719  -1.154  -2.191
  322   1HB   ALA  46          1HB       ALA  46  17.908  -3.369  -2.809
  323   2HB   ALA  46          2HB       ALA  46  17.024  -2.787  -4.219
  324   3HB   ALA  46          3HB       ALA  46  16.162  -3.594  -2.909
  325    H    SER  47           H        SER  47  14.870   0.017  -1.864
  326    HA   SER  47           HA       SER  47  14.893   1.544  -4.367
  327   1HB   SER  47          1HB       SER  47  13.592  -0.867  -4.395
  328   2HB   SER  47          2HB       SER  47  12.289   0.216  -3.912
  329    HG   SER  47           HG       SER  47  14.027   0.748  -6.086
  330    HA   PRO  48           HA       PRO  48  13.014   3.461  -0.532
  331   1HB   PRO  48          1HB       PRO  48  14.846   5.477  -0.263
  332   2HB   PRO  48          2HB       PRO  48  15.044   3.882   0.493
  333   1HG   PRO  48          1HG       PRO  48  16.288   4.971  -1.981
  334   2HG   PRO  48          2HG       PRO  48  16.987   3.935  -0.727
  335   1HD   PRO  48          1HD       PRO  48  16.129   3.009  -3.149
  336   2HD   PRO  48          2HD       PRO  48  16.171   2.019  -1.674
  337    H    SER  49           H        SER  49  13.761   4.277  -3.739
  338    HA   SER  49           HA       SER  49  12.661   7.013  -3.654
  339   1HB   SER  49          1HB       SER  49  14.551   6.253  -5.125
  340   2HB   SER  49          2HB       SER  49  13.415   5.214  -5.979
  341    HG   SER  49           HG       SER  49  13.849   7.872  -6.220
  342    H    GLN  50           H        GLN  50  11.554   3.757  -4.295
  343    HA   GLN  50           HA       GLN  50   8.790   4.393  -4.179
  344   1HB   GLN  50          1HB       GLN  50  10.132   5.116  -6.618
  345   2HB   GLN  50          2HB       GLN  50   8.968   3.836  -6.965
  346   1HG   GLN  50          1HG       GLN  50   7.199   5.125  -5.832
  347   2HG   GLN  50          2HG       GLN  50   8.358   6.406  -5.474
  348   1HE2  GLN  50          1HE2      GLN  50   6.378   4.982  -8.004
  349   2HE2  GLN  50          2HE2      GLN  50   6.737   6.136  -9.197
  Start of MODEL    6
    1    H    ASP   1           H        ASP   1 -16.785  17.964 -10.583
    2    HA   ASP   1           HA       ASP   1 -18.557  15.782 -11.554
    3   1HB   ASP   1          1HB       ASP   1 -16.505  14.444 -11.645
    4   2HB   ASP   1          2HB       ASP   1 -16.326  15.860 -12.681
    5    H    SER   2           H        SER   2 -16.789  14.082  -9.808
    6    HA   SER   2           HA       SER   2 -16.792  13.329  -7.567
    7   1HB   SER   2          1HB       SER   2 -15.774  15.824  -7.660
    8   2HB   SER   2          2HB       SER   2 -17.173  16.137  -6.638
    9    HG   SER   2           HG       SER   2 -16.073  15.261  -5.089
   10    H    PHE   3           H        PHE   3 -19.313  13.237  -8.828
   11    HA   PHE   3           HA       PHE   3 -21.236  14.341  -6.830
   12   1HB   PHE   3          1HB       PHE   3 -21.351  13.318  -9.662
   13   2HB   PHE   3          2HB       PHE   3 -22.829  13.440  -8.707
   14    HD1  PHE   3           HD1      PHE   3 -21.113  15.124 -11.114
   15    HD2  PHE   3           HD2      PHE   3 -22.672  15.801  -7.168
   16    HE1  PHE   3           HE1      PHE   3 -21.213  17.559 -11.571
   17    HE2  PHE   3           HE2      PHE   3 -22.771  18.236  -7.626
   18    HZ   PHE   3           HZ       PHE   3 -22.042  19.115  -9.827
   19    H    TRP   4           H        TRP   4 -19.544  11.490  -7.472
   20    HA   TRP   4           HA       TRP   4 -20.934   9.975  -5.480
   21   1HB   TRP   4          1HB       TRP   4 -22.277   8.541  -6.805
   22   2HB   TRP   4          2HB       TRP   4 -22.537  10.132  -7.516
   23    HD1  TRP   4           HD1      TRP   4 -21.053  10.697  -9.757
   24    HE1  TRP   4           HE1      TRP   4 -20.270   9.118 -11.640
   25    HE3  TRP   4           HE3      TRP   4 -21.561   6.195  -7.401
   26    HZ2  TRP   4           HZ2      TRP   4 -19.907   6.315 -12.086
   27    HZ3  TRP   4           HZ3      TRP   4 -20.991   4.089  -8.575
   28    HH2  TRP   4           HH2      TRP   4 -20.165   4.143 -10.912
   29    H    ASN   5           H        ASN   5 -19.361   8.608  -4.733
   30    HA   ASN   5           HA       ASN   5 -16.994   8.046  -6.382
   31   1HB   ASN   5          1HB       ASN   5 -16.114   7.236  -4.291
   32   2HB   ASN   5          2HB       ASN   5 -17.064   8.671  -3.918
   33   1HD2  ASN   5          1HD2      ASN   5 -16.889   5.188  -3.512
   34   2HD2  ASN   5          2HD2      ASN   5 -18.240   5.047  -2.493
   35    HA   PRO   6           HA       PRO   6 -18.654   4.154  -7.736
   36   1HB   PRO   6          1HB       PRO   6 -16.366   3.214  -8.906
   37   2HB   PRO   6          2HB       PRO   6 -17.395   4.450  -9.655
   38   1HG   PRO   6          1HG       PRO   6 -14.835   4.763  -8.176
   39   2HG   PRO   6          2HG       PRO   6 -15.432   5.632  -9.597
   40   1HD   PRO   6          1HD       PRO   6 -15.481   6.647  -7.057
   41   2HD   PRO   6          2HD       PRO   6 -16.604   7.138  -8.344
   42    H    ASN   7           H        ASN   7 -15.318   3.186  -7.299
   43    HA   ASN   7           HA       ASN   7 -16.170   1.408  -5.048
   44   1HB   ASN   7          1HB       ASN   7 -15.098   0.785  -7.444
   45   2HB   ASN   7          2HB       ASN   7 -13.610   1.038  -6.530
   46   1HD2  ASN   7          1HD2      ASN   7 -14.699  -1.560  -7.521
   47   2HD2  ASN   7          2HD2      ASN   7 -14.917  -2.527  -6.142
   48    H    ALA   8           H        ALA   8 -13.754   3.775  -6.086
   49    HA   ALA   8           HA       ALA   8 -12.135   4.967  -4.847
   50   1HB   ALA   8          1HB       ALA   8 -13.397   4.315  -2.269
   51   2HB   ALA   8          2HB       ALA   8 -14.539   4.883  -3.487
   52   3HB   ALA   8          3HB       ALA   8 -13.161   5.887  -3.034
   53    H    PHE   9           H        PHE   9 -10.511   3.277  -5.283
   54    HA   PHE   9           HA       PHE   9  -9.596   1.965  -2.787
   55   1HB   PHE   9          1HB       PHE   9 -11.236   0.576  -4.393
   56   2HB   PHE   9          2HB       PHE   9  -9.723   0.269  -5.245
   57    HD1  PHE   9           HD1      PHE   9  -7.708  -0.536  -3.821
   58    HD2  PHE   9           HD2      PHE   9 -11.784  -0.666  -2.475
   59    HE1  PHE   9           HE1      PHE   9  -7.090  -2.227  -2.117
   60    HE2  PHE   9           HE2      PHE   9 -11.167  -2.359  -0.771
   61    HZ   PHE   9           HZ       PHE   9  -8.820  -3.139  -0.591
   62    H    GLU  10           H        GLU  10  -7.638   3.116  -2.837
   63    HA   GLU  10           HA       GLU  10  -6.111   3.681  -5.199
   64   1HB   GLU  10          1HB       GLU  10  -6.002   4.025  -2.337
   65   2HB   GLU  10          2HB       GLU  10  -4.421   3.504  -2.925
   66   1HG   GLU  10          1HG       GLU  10  -4.841   5.304  -4.797
   67   2HG   GLU  10          2HG       GLU  10  -5.978   5.973  -3.626
   68    H    THR  11           H        THR  11  -3.818   2.760  -5.489
   69    HA   THR  11           HA       THR  11  -3.929  -0.066  -5.962
   70    HB   THR  11           HB       THR  11  -1.373   1.486  -5.652
   71    HG1  THR  11           HG1      THR  11  -2.004   2.912  -7.036
   72   1HG2  THR  11          1HG2      THR  11  -2.428  -0.791  -7.221
   73   2HG2  THR  11          2HG2      THR  11  -0.795  -0.492  -6.628
   74   3HG2  THR  11          3HG2      THR  11  -1.357   0.303  -8.098
   75    H    ASP  12           H        ASP  12  -1.564  -1.135  -5.034
   76    HA   ASP  12           HA       ASP  12  -2.146  -2.054  -2.434
   77   1HB   ASP  12          1HB       ASP  12   0.246  -2.785  -2.499
   78   2HB   ASP  12          2HB       ASP  12  -0.604  -3.128  -4.006
   79    H    SER  13           H        SER  13  -0.108  -1.697  -0.717
   80    HA   SER  13           HA       SER  13  -0.529   0.948   0.361
   81   1HB   SER  13          1HB       SER  13   1.462   0.045   1.833
   82   2HB   SER  13          2HB       SER  13  -0.110  -0.745   1.921
   83    HG   SER  13           HG       SER  13   0.753  -2.462   1.078
   84    H    ASP  14           H        ASP  14   2.761  -0.242   0.142
   85    HA   ASP  14           HA       ASP  14   3.511   1.843  -1.836
   86   1HB   ASP  14          1HB       ASP  14   4.125   1.793   1.102
   87   2HB   ASP  14          2HB       ASP  14   5.313   2.480  -0.006
   88    H    LEU  15           H        LEU  15   3.653  -0.871  -2.305
   89    HA   LEU  15           HA       LEU  15   6.386  -1.802  -1.627
   90   1HB   LEU  15          1HB       LEU  15   3.913  -2.956  -2.926
   91   2HB   LEU  15          2HB       LEU  15   5.445  -3.827  -2.946
   92    HG   LEU  15           HG       LEU  15   4.199  -4.590  -1.023
   93   1HD1  LEU  15          1HD1      LEU  15   5.859  -4.332   0.578
   94   2HD1  LEU  15          2HD1      LEU  15   6.059  -2.612   0.244
   95   3HD1  LEU  15          3HD1      LEU  15   6.728  -3.811  -0.864
   96   1HD2  LEU  15          1HD2      LEU  15   2.970  -3.231   0.366
   97   2HD2  LEU  15          2HD2      LEU  15   2.970  -2.186  -1.054
   98   3HD2  LEU  15          3HD2      LEU  15   4.122  -1.899   0.251
   99    HA   PRO  16           HA       PRO  16   8.163  -0.823  -5.514
  100   1HB   PRO  16          1HB       PRO  16   9.556  -3.096  -6.153
  101   2HB   PRO  16          2HB       PRO  16  10.067  -1.972  -4.876
  102   1HG   PRO  16          1HG       PRO  16   8.624  -4.569  -4.645
  103   2HG   PRO  16          2HG       PRO  16   9.914  -3.901  -3.631
  104   1HD   PRO  16          1HD       PRO  16   7.300  -3.862  -2.905
  105   2HD   PRO  16          2HD       PRO  16   8.464  -2.618  -2.397
  106    H    ALA  17           H        ALA  17   8.470  -1.907  -7.864
  107    HA   ALA  17           HA       ALA  17   5.787  -2.593  -8.787
  108   1HB   ALA  17          1HB       ALA  17   6.949  -1.257 -10.285
  109   2HB   ALA  17          2HB       ALA  17   7.316  -2.844 -10.961
  110   3HB   ALA  17          3HB       ALA  17   8.493  -2.031  -9.930
  111    H    GLY  18           H        GLY  18   5.003  -4.643  -9.075
  112   1HA   GLY  18          1HA       GLY  18   5.191  -6.928  -9.850
  113   2HA   GLY  18          2HA       GLY  18   6.921  -6.868  -9.517
  114    H    TRP  19           H        TRP  19   5.405  -5.434  -6.932
  115    HA   TRP  19           HA       TRP  19   5.322  -8.035  -5.441
  116   1HB   TRP  19          1HB       TRP  19   6.462  -5.318  -4.883
  117   2HB   TRP  19          2HB       TRP  19   5.915  -6.301  -3.527
  118    HD1  TRP  19           HD1      TRP  19   8.715  -5.923  -5.969
  119    HE1  TRP  19           HE1      TRP  19  10.462  -7.783  -5.602
  120    HE3  TRP  19           HE3      TRP  19   6.121  -8.951  -2.779
  121    HZ2  TRP  19           HZ2      TRP  19  10.724 -10.233  -4.145
  122    HZ3  TRP  19           HZ3      TRP  19   7.141 -11.039  -1.919
  123    HH2  TRP  19           HH2      TRP  19   9.437 -11.683  -2.596
  124    H    MET  20           H        MET  20   3.406  -8.451  -4.396
  125    HA   MET  20           HA       MET  20   1.418  -6.215  -4.166
  126   1HB   MET  20          1HB       MET  20   0.874  -9.176  -4.485
  127   2HB   MET  20          2HB       MET  20  -0.258  -7.847  -4.722
  128   1HG   MET  20          1HG       MET  20   2.147  -8.525  -6.430
  129   2HG   MET  20          2HG       MET  20   0.450  -8.581  -6.905
  130   1HE   MET  20          1HE       MET  20  -0.969  -5.451  -6.759
  131   2HE   MET  20          2HE       MET  20  -0.942  -7.127  -7.300
  132   3HE   MET  20          3HE       MET  20  -0.450  -5.846  -8.404
  133    H    ARG  21           H        ARG  21  -0.171  -6.556  -2.370
  134    HA   ARG  21           HA       ARG  21   1.058  -8.005  -0.046
  135   1HB   ARG  21          1HB       ARG  21   1.173  -5.530   0.073
  136   2HB   ARG  21          2HB       ARG  21  -0.576  -5.445  -0.138
  137   1HG   ARG  21          1HG       ARG  21  -0.808  -6.874   1.933
  138   2HG   ARG  21          2HG       ARG  21   0.927  -6.680   2.183
  139   1HD   ARG  21          1HD       ARG  21   0.654  -4.586   3.019
  140   2HD   ARG  21          2HD       ARG  21  -0.409  -4.120   1.677
  141    HE   ARG  21           HE       ARG  21  -1.729  -5.982   3.459
  142   1HH1  ARG  21          1HH1      ARG  21  -2.024  -2.991   2.120
  143   2HH1  ARG  21          2HH1      ARG  21  -2.736  -2.216   3.495
  144   1HH2  ARG  21          1HH2      ARG  21  -2.116  -4.866   5.643
  145   2HH2  ARG  21          2HH2      ARG  21  -2.790  -3.278   5.490
  146    H    VAL  22           H        VAL  22  -0.220  -9.805   0.334
  147    HA   VAL  22           HA       VAL  22  -3.181  -9.511  -0.049
  148    HB   VAL  22           HB       VAL  22  -1.563 -12.062   0.056
  149   1HG1  VAL  22          1HG1      VAL  22  -4.351 -11.312  -0.405
  150   2HG1  VAL  22          2HG1      VAL  22  -3.661 -12.893  -0.038
  151   3HG1  VAL  22          3HG1      VAL  22  -3.698 -12.313  -1.702
  152   1HG2  VAL  22          1HG2      VAL  22  -0.523 -11.147  -1.788
  153   2HG2  VAL  22          2HG2      VAL  22  -1.854 -10.039  -2.118
  154   3HG2  VAL  22          3HG2      VAL  22  -1.983 -11.736  -2.581
  155    H    GLN  23           H        GLN  23  -4.519 -10.724   1.502
  156    HA   GLN  23           HA       GLN  23  -3.227 -11.001   4.189
  157   1HB   GLN  23          1HB       GLN  23  -5.702 -10.415   4.867
  158   2HB   GLN  23          2HB       GLN  23  -4.615  -9.127   4.362
  159   1HG   GLN  23          1HG       GLN  23  -5.522  -9.265   2.069
  160   2HG   GLN  23          2HG       GLN  23  -6.614 -10.553   2.580
  161   1HE2  GLN  23          1HE2      GLN  23  -5.702  -7.365   4.022
  162   2HE2  GLN  23          2HE2      GLN  23  -7.302  -6.842   4.234
  163    H    ASP  24           H        ASP  24  -2.942 -13.288   4.030
  164    HA   ASP  24           HA       ASP  24  -5.320 -14.956   3.411
  165   1HB   ASP  24          1HB       ASP  24  -2.478 -15.104   3.134
  166   2HB   ASP  24          2HB       ASP  24  -3.014 -16.462   4.118
  167    H    THR  25           H        THR  25  -5.525 -16.957   4.927
  168    HA   THR  25           HA       THR  25  -6.249 -16.149   7.546
  169    HB   THR  25           HB       THR  25  -6.056 -18.741   7.880
  170    HG1  THR  25           HG1      THR  25  -5.416 -19.848   6.191
  171   1HG2  THR  25          1HG2      THR  25  -8.231 -18.166   7.484
  172   2HG2  THR  25          2HG2      THR  25  -7.908 -18.889   5.909
  173   3HG2  THR  25          3HG2      THR  25  -7.815 -17.140   6.111
  174    H    SER  26           H        SER  26  -3.287 -17.806   6.412
  175    HA   SER  26           HA       SER  26  -2.023 -18.118   8.940
  176   1HB   SER  26          1HB       SER  26  -0.324 -18.899   7.614
  177   2HB   SER  26          2HB       SER  26  -1.530 -18.762   6.337
  178    HG   SER  26           HG       SER  26  -0.712 -16.728   5.844
  179    H    GLY  27           H        GLY  27  -2.202 -15.351   6.754
  180   1HA   GLY  27          1HA       GLY  27  -1.939 -13.276   8.482
  181   2HA   GLY  27          2HA       GLY  27  -0.263 -13.806   8.337
  182    H    THR  28           H        THR  28  -0.784 -11.285   7.477
  183    HA   THR  28           HA       THR  28  -1.461 -11.211   4.631
  184    HB   THR  28           HB       THR  28  -0.174  -9.156   6.456
  185    HG1  THR  28           HG1      THR  28  -2.200  -8.593   7.007
  186   1HG2  THR  28          1HG2      THR  28  -0.977  -7.527   4.873
  187   2HG2  THR  28          2HG2      THR  28  -1.848  -8.761   3.966
  188   3HG2  THR  28          3HG2      THR  28  -0.084  -8.747   3.966
  189    H    TYR  29           H        TYR  29  -0.014 -11.929   3.124
  190    HA   TYR  29           HA       TYR  29   2.909 -11.577   3.693
  191   1HB   TYR  29          1HB       TYR  29   3.174 -13.538   2.230
  192   2HB   TYR  29          2HB       TYR  29   2.037 -13.896   3.523
  193    HD1  TYR  29           HD1      TYR  29   2.436 -13.231  -0.071
  194    HD2  TYR  29           HD2      TYR  29  -0.363 -14.118   3.064
  195    HE1  TYR  29           HE1      TYR  29   0.712 -13.777  -1.766
  196    HE2  TYR  29           HE2      TYR  29  -2.088 -14.664   1.367
  197    HH   TYR  29           HH       TYR  29  -1.730 -15.505  -1.412
  198    H    TYR  30           H        TYR  30   3.757 -12.089   1.045
  199    HA   TYR  30           HA       TYR  30   2.566  -9.823  -0.515
  200   1HB   TYR  30          1HB       TYR  30   5.492 -10.476  -0.024
  201   2HB   TYR  30          2HB       TYR  30   4.902  -9.169  -1.054
  202    HD1  TYR  30           HD1      TYR  30   5.659 -10.195   2.327
  203    HD2  TYR  30           HD2      TYR  30   3.451  -7.352  -0.017
  204    HE1  TYR  30           HE1      TYR  30   5.455  -8.718   4.309
  205    HE2  TYR  30           HE2      TYR  30   3.247  -5.876   1.965
  206    HH   TYR  30           HH       TYR  30   3.713  -5.609   4.112
  207    H    TRP  31           H        TRP  31   2.492 -10.199  -2.760
  208    HA   TRP  31           HA       TRP  31   3.354 -12.932  -3.634
  209   1HB   TRP  31          1HB       TRP  31   0.973 -12.613  -3.695
  210   2HB   TRP  31          2HB       TRP  31   1.143 -11.050  -4.492
  211    HD1  TRP  31           HD1      TRP  31   3.421 -13.773  -5.714
  212    HE1  TRP  31           HE1      TRP  31   2.658 -14.559  -8.049
  213    HE3  TRP  31           HE3      TRP  31  -1.088 -11.398  -6.015
  214    HZ2  TRP  31           HZ2      TRP  31   0.428 -14.224  -9.810
  215    HZ3  TRP  31           HZ3      TRP  31  -2.511 -11.648  -8.029
  216    HH2  TRP  31           HH2      TRP  31  -1.759 -13.057  -9.925
  217    H    HIS  32           H        HIS  32   5.017 -12.963  -5.052
  218    HA   HIS  32           HA       HIS  32   5.965 -10.482  -6.320
  219   1HB   HIS  32          1HB       HIS  32   7.219 -12.530  -5.176
  220   2HB   HIS  32          2HB       HIS  32   7.122 -13.215  -6.795
  221    HD1  HIS  32           HD1      HIS  32   9.894 -12.737  -6.189
  222    HD2  HIS  32           HD2      HIS  32   7.497  -9.550  -7.398
  223    HE1  HIS  32           HE1      HIS  32  11.466 -10.935  -7.023
  224    H    ILE  33           H        ILE  33   4.477  -9.995  -7.956
  225    HA   ILE  33           HA       ILE  33   3.167 -11.763  -9.717
  226    HB   ILE  33           HB       ILE  33   4.133  -8.923 -10.147
  227   1HG1  ILE  33          1HG1      ILE  33   1.724 -10.117  -8.751
  228   2HG1  ILE  33          2HG1      ILE  33   2.897  -8.970  -8.105
  229   1HG2  ILE  33          1HG2      ILE  33   3.308 -10.071 -12.197
  230   2HG2  ILE  33          2HG2      ILE  33   2.243  -8.758 -11.695
  231   3HG2  ILE  33          3HG2      ILE  33   1.797 -10.431 -11.363
  232   1HD1  ILE  33          1HD1      ILE  33   0.985  -8.382 -10.384
  233   2HD1  ILE  33          2HD1      ILE  33   2.103  -7.239  -9.639
  234   3HD1  ILE  33          3HD1      ILE  33   0.744  -7.876  -8.712
  235    HA   PRO  34           HA       PRO  34   6.735 -10.980 -12.850
  236   1HB   PRO  34          1HB       PRO  34   9.208 -10.440 -11.803
  237   2HB   PRO  34          2HB       PRO  34   8.053  -9.183 -12.286
  238   1HG   PRO  34          1HG       PRO  34   8.671 -10.244  -9.576
  239   2HG   PRO  34          2HG       PRO  34   8.339  -8.583 -10.090
  240   1HD   PRO  34          1HD       PRO  34   6.508 -10.151  -8.854
  241   2HD   PRO  34          2HD       PRO  34   6.065  -8.868  -9.998
  242    H    THR  35           H        THR  35   8.293 -12.173  -9.826
  243    HA   THR  35           HA       THR  35   9.316 -14.527 -11.279
  244    HB   THR  35           HB       THR  35  10.482 -14.929  -9.186
  245    HG1  THR  35           HG1      THR  35   9.623 -14.338  -7.378
  246   1HG2  THR  35          1HG2      THR  35  10.374 -12.238 -10.379
  247   2HG2  THR  35          2HG2      THR  35  11.768 -13.264 -10.037
  248   3HG2  THR  35          3HG2      THR  35  11.057 -12.284  -8.754
  249    H    GLY  36           H        GLY  36   7.152 -13.951  -8.488
  250   1HA   GLY  36          1HA       GLY  36   4.993 -15.224  -8.461
  251   2HA   GLY  36          2HA       GLY  36   5.908 -16.612  -9.055
  252    H    THR  37           H        THR  37   7.993 -15.196  -7.003
  253    HA   THR  37           HA       THR  37   7.622 -17.181  -4.920
  254    HB   THR  37           HB       THR  37   9.294 -14.681  -4.760
  255    HG1  THR  37           HG1      THR  37  10.816 -16.280  -5.903
  256   1HG2  THR  37          1HG2      THR  37  10.254 -15.782  -3.065
  257   2HG2  THR  37          2HG2      THR  37  10.608 -17.148  -4.121
  258   3HG2  THR  37          3HG2      THR  37   9.068 -17.072  -3.266
  259    H    THR  38           H        THR  38   7.211 -16.658  -2.639
  260    HA   THR  38           HA       THR  38   5.563 -14.171  -2.274
  261    HB   THR  38           HB       THR  38   4.588 -15.854  -0.411
  262    HG1  THR  38           HG1      THR  38   5.458 -17.733  -0.733
  263   1HG2  THR  38          1HG2      THR  38   2.877 -16.518  -2.119
  264   2HG2  THR  38          2HG2      THR  38   3.918 -15.828  -3.365
  265   3HG2  THR  38          3HG2      THR  38   3.232 -14.790  -2.114
  266    H    GLN  39           H        GLN  39   5.629 -13.303  -0.033
  267    HA   GLN  39           HA       GLN  39   7.958 -14.213   1.602
  268   1HB   GLN  39          1HB       GLN  39   7.458 -11.545   0.297
  269   2HB   GLN  39          2HB       GLN  39   8.410 -11.635   1.781
  270   1HG   GLN  39          1HG       GLN  39   9.922 -13.269   0.712
  271   2HG   GLN  39          2HG       GLN  39   8.976 -13.170  -0.774
  272   1HE2  GLN  39          1HE2      GLN  39  11.456 -12.472  -1.330
  273   2HE2  GLN  39          2HE2      GLN  39  11.702 -10.793  -1.351
  274    H    TRP  40           H        TRP  40   7.889 -12.419   3.629
  275    HA   TRP  40           HA       TRP  40   5.025 -12.234   4.498
  276   1HB   TRP  40          1HB       TRP  40   7.392 -13.364   6.030
  277   2HB   TRP  40          2HB       TRP  40   5.766 -13.165   6.684
  278    HD1  TRP  40           HD1      TRP  40   7.872 -15.463   4.622
  279    HE1  TRP  40           HE1      TRP  40   6.459 -17.462   3.816
  280    HE3  TRP  40           HE3      TRP  40   3.207 -13.814   5.888
  281    HZ2  TRP  40           HZ2      TRP  40   3.711 -18.258   3.720
  282    HZ3  TRP  40           HZ3      TRP  40   1.212 -15.210   5.428
  283    HH2  TRP  40           HH2      TRP  40   1.458 -17.428   4.347
  284    H    GLU  41           H        GLU  41   7.836 -10.586   3.939
  285    HA   GLU  41           HA       GLU  41   7.178  -8.538   6.028
  286   1HB   GLU  41          1HB       GLU  41   9.903  -9.500   5.091
  287   2HB   GLU  41          2HB       GLU  41   9.627  -8.211   6.263
  288   1HG   GLU  41          1HG       GLU  41   8.127 -10.171   7.377
  289   2HG   GLU  41          2HG       GLU  41   9.364 -11.150   6.588
  290    HA   PRO  42           HA       PRO  42   7.300  -5.635   2.743
  291   1HB   PRO  42          1HB       PRO  42   8.444  -3.454   3.940
  292   2HB   PRO  42          2HB       PRO  42   6.790  -3.994   4.292
  293   1HG   PRO  42          1HG       PRO  42   9.292  -4.431   5.845
  294   2HG   PRO  42          2HG       PRO  42   7.655  -4.077   6.419
  295   1HD   PRO  42          1HD       PRO  42   8.746  -6.571   6.457
  296   2HD   PRO  42          2HD       PRO  42   7.000  -6.269   6.309
  297    HA   PRO  43           HA       PRO  43  11.484  -6.194   1.265
  298   1HB   PRO  43          1HB       PRO  43  10.928  -5.674  -1.358
  299   2HB   PRO  43          2HB       PRO  43  10.536  -7.219  -0.579
  300   1HG   PRO  43          1HG       PRO  43   8.763  -4.975  -1.314
  301   2HG   PRO  43          2HG       PRO  43   8.417  -6.706  -1.214
  302   1HD   PRO  43          1HD       PRO  43   7.725  -4.772   0.685
  303   2HD   PRO  43          2HD       PRO  43   7.708  -6.531   0.926
  304    H    GLY  44           H        GLY  44  11.522  -3.910   2.577
  305   1HA   GLY  44          1HA       GLY  44  12.278  -1.690   2.593
  306   2HA   GLY  44          2HA       GLY  44  13.061  -2.089   1.064
  307    H    ARG  45           H        ARG  45  10.636  -0.216   2.498
  308    HA   ARG  45           HA       ARG  45   8.670  -0.022   0.447
  309   1HB   ARG  45          1HB       ARG  45   8.076   2.016   1.596
  310   2HB   ARG  45          2HB       ARG  45   8.663   0.890   2.819
  311   1HG   ARG  45          1HG       ARG  45  10.241   2.373   3.418
  312   2HG   ARG  45          2HG       ARG  45  10.922   2.290   1.792
  313   1HD   ARG  45          1HD       ARG  45  10.300   4.462   1.551
  314   2HD   ARG  45          2HD       ARG  45   8.621   3.885   1.519
  315    HE   ARG  45           HE       ARG  45   9.534   3.995   4.235
  316   1HH1  ARG  45          1HH1      ARG  45  10.328   6.607   2.638
  317   2HH1  ARG  45          2HH1      ARG  45   9.038   7.644   3.150
  318   1HH2  ARG  45          1HH2      ARG  45   7.123   5.060   4.448
  319   2HH2  ARG  45          2HH2      ARG  45   7.222   6.768   4.175
  320    H    ALA  46           H        ALA  46   8.451   1.634  -1.220
  321    HA   ALA  46           HA       ALA  46   9.292   2.828  -3.082
  322   1HB   ALA  46          1HB       ALA  46   9.578   4.399  -1.166
  323   2HB   ALA  46          2HB       ALA  46  10.822   4.624  -2.397
  324   3HB   ALA  46          3HB       ALA  46  11.199   3.755  -0.910
  325    H    SER  47           H        SER  47  11.835   3.548  -3.850
  326    HA   SER  47           HA       SER  47  13.759   1.379  -3.515
  327   1HB   SER  47          1HB       SER  47  13.520   0.635  -5.916
  328   2HB   SER  47          2HB       SER  47  12.124   0.254  -4.913
  329    HG   SER  47           HG       SER  47  10.965   1.692  -5.969
  330    HA   PRO  48           HA       PRO  48  16.151   4.855  -4.867
  331   1HB   PRO  48          1HB       PRO  48  18.579   3.596  -4.928
  332   2HB   PRO  48          2HB       PRO  48  17.789   4.099  -3.420
  333   1HG   PRO  48          1HG       PRO  48  17.940   1.405  -4.670
  334   2HG   PRO  48          2HG       PRO  48  18.007   1.863  -2.962
  335   1HD   PRO  48          1HD       PRO  48  15.780   0.839  -4.178
  336   2HD   PRO  48          2HD       PRO  48  15.732   1.893  -2.747
  337    H    SER  49           H        SER  49  18.073   5.044  -6.642
  338    HA   SER  49           HA       SER  49  17.263   3.423  -9.035
  339   1HB   SER  49          1HB       SER  49  16.330   5.763  -8.925
  340   2HB   SER  49          2HB       SER  49  17.984   6.369  -8.930
  341    HG   SER  49           HG       SER  49  16.809   6.149 -11.027
  342    H    GLN  50           H        GLN  50  19.436   2.585  -7.562
  343    HA   GLN  50           HA       GLN  50  21.856   3.758  -8.854
  344   1HB   GLN  50          1HB       GLN  50  23.034   2.668  -7.044
  345   2HB   GLN  50          2HB       GLN  50  21.615   3.452  -6.348
  346   1HG   GLN  50          1HG       GLN  50  20.416   1.199  -6.692
  347   2HG   GLN  50          2HG       GLN  50  22.024   0.519  -6.944
  348   1HE2  GLN  50          1HE2      GLN  50  23.369   2.300  -5.013
  349   2HE2  GLN  50          2HE2      GLN  50  22.875   1.800  -3.468
  Start of MODEL    7
    1    H    ASP   1           H        ASP   1  16.522   5.716 -13.391
    2    HA   ASP   1           HA       ASP   1  16.890   6.466 -15.662
    3   1HB   ASP   1          1HB       ASP   1  17.128   3.572 -15.907
    4   2HB   ASP   1          2HB       ASP   1  16.050   4.235 -17.136
    5    H    SER   2           H        SER   2  14.887   5.653 -17.528
    6    HA   SER   2           HA       SER   2  12.442   6.389 -15.987
    7   1HB   SER   2          1HB       SER   2  13.572   7.453 -18.200
    8   2HB   SER   2          2HB       SER   2  12.511   6.272 -18.962
    9    HG   SER   2           HG       SER   2  10.832   7.189 -17.558
   10    H    PHE   3           H        PHE   3  12.403   4.007 -15.253
   11    HA   PHE   3           HA       PHE   3  11.318   2.210 -17.387
   12   1HB   PHE   3          1HB       PHE   3  13.212   1.942 -15.273
   13   2HB   PHE   3          2HB       PHE   3  11.837   0.911 -14.880
   14    HD1  PHE   3           HD1      PHE   3  11.253  -0.997 -16.250
   15    HD2  PHE   3           HD2      PHE   3  14.474   1.614 -17.374
   16    HE1  PHE   3           HE1      PHE   3  12.006  -2.652 -17.937
   17    HE2  PHE   3           HE2      PHE   3  15.227  -0.040 -19.061
   18    HZ   PHE   3           HZ       PHE   3  13.992  -2.173 -19.343
   19    H    TRP   4           H        TRP   4  10.839   2.114 -13.865
   20    HA   TRP   4           HA       TRP   4   8.091   1.385 -14.028
   21   1HB   TRP   4          1HB       TRP   4   9.659   1.041 -12.114
   22   2HB   TRP   4          2HB       TRP   4   9.606   2.775 -11.796
   23    HD1  TRP   4           HD1      TRP   4   7.871   3.472 -10.086
   24    HE1  TRP   4           HE1      TRP   4   5.648   2.509  -9.203
   25    HE3  TRP   4           HE3      TRP   4   7.458  -0.661 -13.057
   26    HZ2  TRP   4           HZ2      TRP   4   3.922   0.280  -9.693
   27    HZ3  TRP   4           HZ3      TRP   4   5.517  -2.185 -12.829
   28    HH2  TRP   4           HH2      TRP   4   3.750  -1.720 -11.152
   29    H    ASN   5           H        ASN   5   6.689   2.776 -15.113
   30    HA   ASN   5           HA       ASN   5   6.899   5.675 -14.947
   31   1HB   ASN   5          1HB       ASN   5   5.547   3.652 -16.453
   32   2HB   ASN   5          2HB       ASN   5   4.332   4.773 -15.836
   33   1HD2  ASN   5          1HD2      ASN   5   3.918   6.173 -17.573
   34   2HD2  ASN   5          2HD2      ASN   5   5.116   6.999 -18.446
   35    HA   PRO   6           HA       PRO   6   4.703   5.645 -11.023
   36   1HB   PRO   6          1HB       PRO   6   5.076   8.309 -10.513
   37   2HB   PRO   6          2HB       PRO   6   6.327   7.084 -10.218
   38   1HG   PRO   6          1HG       PRO   6   6.038   8.984 -12.490
   39   2HG   PRO   6          2HG       PRO   6   7.498   8.448 -11.646
   40   1HD   PRO   6          1HD       PRO   6   6.723   7.480 -14.075
   41   2HD   PRO   6          2HD       PRO   6   7.690   6.550 -12.910
   42    H    ASN   7           H        ASN   7   4.184   7.674 -13.836
   43    HA   ASN   7           HA       ASN   7   1.569   8.654 -12.866
   44   1HB   ASN   7          1HB       ASN   7   3.572   9.525 -14.606
   45   2HB   ASN   7          2HB       ASN   7   2.249   9.066 -15.678
   46   1HD2  ASN   7          1HD2      ASN   7   2.356  10.616 -12.412
   47   2HD2  ASN   7          2HD2      ASN   7   1.358  11.920 -12.841
   48    H    ALA   8           H        ALA   8   1.338   5.955 -12.858
   49    HA   ALA   8           HA       ALA   8  -0.516   5.445 -15.116
   50   1HB   ALA   8          1HB       ALA   8   1.230   3.162 -14.676
   51   2HB   ALA   8          2HB       ALA   8   2.163   4.593 -15.114
   52   3HB   ALA   8          3HB       ALA   8   0.880   4.016 -16.179
   53    H    PHE   9           H        PHE   9  -0.695   2.617 -14.541
   54    HA   PHE   9           HA       PHE   9  -2.645   2.512 -12.520
   55   1HB   PHE   9          1HB       PHE   9  -0.685   0.368 -13.403
   56   2HB   PHE   9          2HB       PHE   9  -2.256   0.085 -12.656
   57    HD1  PHE   9           HD1      PHE   9  -0.576   0.247 -15.724
   58    HD2  PHE   9           HD2      PHE   9  -4.266   1.418 -13.862
   59    HE1  PHE   9           HE1      PHE   9  -1.660   0.374 -17.951
   60    HE2  PHE   9           HE2      PHE   9  -5.350   1.545 -16.089
   61    HZ   PHE   9           HZ       PHE   9  -4.046   1.024 -18.134
   62    H    GLU  10           H        GLU  10  -2.448   2.799 -10.333
   63    HA   GLU  10           HA       GLU  10   0.095   3.044  -8.996
   64   1HB   GLU  10          1HB       GLU  10  -2.656   3.534  -8.538
   65   2HB   GLU  10          2HB       GLU  10  -2.128   2.464  -7.238
   66   1HG   GLU  10          1HG       GLU  10  -0.351   3.969  -6.617
   67   2HG   GLU  10          2HG       GLU  10  -0.628   4.968  -8.044
   68    H    THR  11           H        THR  11   0.895   1.612  -7.274
   69    HA   THR  11           HA       THR  11   0.471  -1.249  -7.928
   70    HB   THR  11           HB       THR  11   2.368  -0.248  -5.839
   71    HG1  THR  11           HG1      THR  11   3.128   1.155  -7.185
   72   1HG2  THR  11          1HG2      THR  11   1.976  -2.646  -7.096
   73   2HG2  THR  11          2HG2      THR  11   3.497  -2.152  -6.351
   74   3HG2  THR  11          3HG2      THR  11   3.254  -1.941  -8.085
   75    H    ASP  12           H        ASP  12   1.036  -2.429  -5.479
   76    HA   ASP  12           HA       ASP  12  -1.489  -2.465  -4.155
   77   1HB   ASP  12          1HB       ASP  12   0.945  -3.857  -4.152
   78   2HB   ASP  12          2HB       ASP  12   0.772  -3.264  -2.500
   79    H    SER  13           H        SER  13  -0.895  -2.304  -1.421
   80    HA   SER  13           HA       SER  13  -1.415   0.312  -0.680
   81   1HB   SER  13          1HB       SER  13  -0.557  -2.137   0.517
   82   2HB   SER  13          2HB       SER  13   0.330  -0.812   1.260
   83    HG   SER  13           HG       SER  13  -1.514  -0.809   2.373
   84    H    ASP  14           H        ASP  14   1.807  -0.911   0.123
   85    HA   ASP  14           HA       ASP  14   3.039   1.466  -1.201
   86   1HB   ASP  14          1HB       ASP  14   2.452   1.213   1.538
   87   2HB   ASP  14          2HB       ASP  14   4.185   0.907   1.411
   88    H    LEU  15           H        LEU  15   3.181  -1.181  -2.151
   89    HA   LEU  15           HA       LEU  15   5.825  -2.227  -1.250
   90   1HB   LEU  15          1HB       LEU  15   3.474  -3.252  -2.844
   91   2HB   LEU  15          2HB       LEU  15   5.018  -4.098  -2.879
   92    HG   LEU  15           HG       LEU  15   3.557  -5.039  -1.134
   93   1HD1  LEU  15          1HD1      LEU  15   6.200  -4.029  -0.777
   94   2HD1  LEU  15          2HD1      LEU  15   5.450  -5.409   0.024
   95   3HD1  LEU  15          3HD1      LEU  15   5.335  -3.803   0.743
   96   1HD2  LEU  15          1HD2      LEU  15   3.758  -2.415   0.336
   97   2HD2  LEU  15          2HD2      LEU  15   2.635  -3.747   0.605
   98   3HD2  LEU  15          3HD2      LEU  15   2.442  -2.701  -0.802
   99    HA   PRO  16           HA       PRO  16   7.938  -0.892  -4.860
  100   1HB   PRO  16          1HB       PRO  16   9.278  -3.139  -5.690
  101   2HB   PRO  16          2HB       PRO  16   9.752  -2.196  -4.262
  102   1HG   PRO  16          1HG       PRO  16   8.165  -4.716  -4.419
  103   2HG   PRO  16          2HG       PRO  16   9.445  -4.262  -3.282
  104   1HD   PRO  16          1HD       PRO  16   6.835  -4.142  -2.625
  105   2HD   PRO  16          2HD       PRO  16   8.025  -2.988  -1.985
  106    H    ALA  17           H        ALA  17   8.515  -2.303  -7.243
  107    HA   ALA  17           HA       ALA  17   5.818  -2.388  -8.445
  108   1HB   ALA  17          1HB       ALA  17   8.520  -1.729  -9.194
  109   2HB   ALA  17          2HB       ALA  17   7.027  -1.394 -10.070
  110   3HB   ALA  17          3HB       ALA  17   7.877  -2.917 -10.326
  111    H    GLY  18           H        GLY  18   4.776  -4.261  -8.929
  112   1HA   GLY  18          1HA       GLY  18   4.602  -6.496  -9.766
  113   2HA   GLY  18          2HA       GLY  18   6.332  -6.709  -9.500
  114    H    TRP  19           H        TRP  19   5.844  -5.473  -6.692
  115    HA   TRP  19           HA       TRP  19   5.302  -8.085  -5.410
  116   1HB   TRP  19          1HB       TRP  19   6.454  -5.420  -4.676
  117   2HB   TRP  19          2HB       TRP  19   5.854  -6.452  -3.375
  118    HD1  TRP  19           HD1      TRP  19   8.764  -5.975  -5.636
  119    HE1  TRP  19           HE1      TRP  19  10.441  -7.911  -5.356
  120    HE3  TRP  19           HE3      TRP  19   5.922  -9.213  -2.893
  121    HZ2  TRP  19           HZ2      TRP  19  10.561 -10.497  -4.133
  122    HZ3  TRP  19           HZ3      TRP  19   6.841 -11.403  -2.187
  123    HH2  TRP  19           HH2      TRP  19   9.155 -12.048  -2.804
  124    H    MET  20           H        MET  20   3.429  -8.552  -4.286
  125    HA   MET  20           HA       MET  20   1.382  -6.367  -4.080
  126   1HB   MET  20          1HB       MET  20   0.970  -9.356  -4.360
  127   2HB   MET  20          2HB       MET  20  -0.258  -8.104  -4.505
  128   1HG   MET  20          1HG       MET  20   2.120  -7.926  -6.301
  129   2HG   MET  20          2HG       MET  20   0.904  -9.151  -6.659
  130   1HE   MET  20          1HE       MET  20   0.895  -5.215  -5.472
  131   2HE   MET  20          2HE       MET  20   0.803  -4.688  -7.151
  132   3HE   MET  20          3HE       MET  20   2.096  -5.773  -6.645
  133    H    ARG  21           H        ARG  21  -0.188  -6.714  -2.289
  134    HA   ARG  21           HA       ARG  21   1.072  -8.050   0.086
  135   1HB   ARG  21          1HB       ARG  21   0.964  -5.475  -0.086
  136   2HB   ARG  21          2HB       ARG  21  -0.780  -5.656   0.112
  137   1HG   ARG  21          1HG       ARG  21  -0.505  -6.713   2.260
  138   2HG   ARG  21          2HG       ARG  21   1.242  -6.828   2.038
  139   1HD   ARG  21          1HD       ARG  21   1.496  -4.428   2.173
  140   2HD   ARG  21          2HD       ARG  21  -0.262  -4.190   2.132
  141    HE   ARG  21           HE       ARG  21   0.430  -5.972   4.278
  142   1HH1  ARG  21          1HH1      ARG  21  -1.123  -3.169   3.840
  143   2HH1  ARG  21          2HH1      ARG  21  -0.465  -2.319   5.198
  144   1HH2  ARG  21          1HH2      ARG  21   2.010  -4.669   5.806
  145   2HH2  ARG  21          2HH2      ARG  21   1.309  -3.169   6.312
  146    H    VAL  22           H        VAL  22  -0.146  -9.944   0.274
  147    HA   VAL  22           HA       VAL  22  -3.106  -9.734  -0.095
  148    HB   VAL  22           HB       VAL  22  -1.416 -12.220   0.171
  149   1HG1  VAL  22          1HG1      VAL  22  -3.453 -12.641  -1.648
  150   2HG1  VAL  22          2HG1      VAL  22  -4.200 -11.570  -0.463
  151   3HG1  VAL  22          3HG1      VAL  22  -3.493 -13.100   0.054
  152   1HG2  VAL  22          1HG2      VAL  22  -1.497 -10.241  -2.001
  153   2HG2  VAL  22          2HG2      VAL  22  -1.884 -11.877  -2.536
  154   3HG2  VAL  22          3HG2      VAL  22  -0.352 -11.554  -1.725
  155    H    GLN  23           H        GLN  23  -4.459 -10.867   1.479
  156    HA   GLN  23           HA       GLN  23  -3.219 -11.031   4.199
  157   1HB   GLN  23          1HB       GLN  23  -5.700 -10.411   4.814
  158   2HB   GLN  23          2HB       GLN  23  -4.610  -9.146   4.255
  159   1HG   GLN  23          1HG       GLN  23  -5.495  -9.392   1.966
  160   2HG   GLN  23          2HG       GLN  23  -6.576 -10.672   2.519
  161   1HE2  GLN  23          1HE2      GLN  23  -6.096  -7.203   2.410
  162   2HE2  GLN  23          2HE2      GLN  23  -7.553  -6.782   3.175
  163    H    ASP  24           H        ASP  24  -2.908 -13.377   3.738
  164    HA   ASP  24           HA       ASP  24  -5.217 -15.075   3.213
  165   1HB   ASP  24          1HB       ASP  24  -2.373 -15.220   3.302
  166   2HB   ASP  24          2HB       ASP  24  -3.012 -16.475   4.363
  167    H    THR  25           H        THR  25  -5.953 -16.748   4.783
  168    HA   THR  25           HA       THR  25  -6.791 -15.719   7.274
  169    HB   THR  25           HB       THR  25  -7.138 -18.204   7.763
  170    HG1  THR  25           HG1      THR  25  -5.955 -19.491   6.636
  171   1HG2  THR  25          1HG2      THR  25  -8.995 -17.251   6.752
  172   2HG2  THR  25          2HG2      THR  25  -8.551 -18.454   5.540
  173   3HG2  THR  25          3HG2      THR  25  -8.093 -16.765   5.317
  174    H    SER  26           H        SER  26  -3.711 -17.042   6.350
  175    HA   SER  26           HA       SER  26  -2.855 -17.679   9.087
  176   1HB   SER  26          1HB       SER  26  -1.118 -18.691   7.980
  177   2HB   SER  26          2HB       SER  26  -2.181 -18.512   6.588
  178    HG   SER  26           HG       SER  26  -1.124 -16.574   6.103
  179    H    GLY  27           H        GLY  27  -2.521 -15.019   6.793
  180   1HA   GLY  27          1HA       GLY  27  -2.144 -12.945   8.560
  181   2HA   GLY  27          2HA       GLY  27  -0.521 -13.617   8.397
  182    H    THR  28           H        THR  28  -0.788 -11.070   7.538
  183    HA   THR  28           HA       THR  28  -1.435 -11.016   4.659
  184    HB   THR  28           HB       THR  28  -0.152  -8.858   6.344
  185    HG1  THR  28           HG1      THR  28  -2.016  -8.499   7.293
  186   1HG2  THR  28          1HG2      THR  28  -0.794  -8.899   3.706
  187   2HG2  THR  28          2HG2      THR  28  -0.810  -7.434   4.688
  188   3HG2  THR  28          3HG2      THR  28  -2.310  -8.313   4.390
  189    H    TYR  29           H        TYR  29   0.103 -11.810   3.264
  190    HA   TYR  29           HA       TYR  29   2.982 -11.337   3.966
  191   1HB   TYR  29          1HB       TYR  29   3.423 -13.386   2.738
  192   2HB   TYR  29          2HB       TYR  29   2.125 -13.695   3.887
  193    HD1  TYR  29           HD1      TYR  29  -0.254 -13.763   3.099
  194    HD2  TYR  29           HD2      TYR  29   3.058 -13.501   0.379
  195    HE1  TYR  29           HE1      TYR  29  -1.729 -14.473   1.235
  196    HE2  TYR  29           HE2      TYR  29   1.584 -14.208  -1.486
  197    HH   TYR  29           HH       TYR  29  -1.033 -15.739  -1.278
  198    H    TYR  30           H        TYR  30   3.920 -12.055   1.342
  199    HA   TYR  30           HA       TYR  30   2.828  -9.819  -0.337
  200   1HB   TYR  30          1HB       TYR  30   5.676 -10.554   0.387
  201   2HB   TYR  30          2HB       TYR  30   5.283  -9.452  -0.933
  202    HD1  TYR  30           HD1      TYR  30   5.903  -9.712   2.559
  203    HD2  TYR  30           HD2      TYR  30   3.657  -7.481  -0.344
  204    HE1  TYR  30           HE1      TYR  30   5.652  -7.853   4.182
  205    HE2  TYR  30           HE2      TYR  30   3.405  -5.623   1.278
  206    HH   TYR  30           HH       TYR  30   3.641  -5.797   4.322
  207    H    TRP  31           H        TRP  31   2.821 -10.244  -2.581
  208    HA   TRP  31           HA       TRP  31   3.606 -13.031  -3.372
  209   1HB   TRP  31          1HB       TRP  31   1.224 -12.759  -3.402
  210   2HB   TRP  31          2HB       TRP  31   1.348 -11.187  -4.188
  211    HD1  TRP  31           HD1      TRP  31   3.567 -13.974  -5.449
  212    HE1  TRP  31           HE1      TRP  31   2.766 -14.711  -7.787
  213    HE3  TRP  31           HE3      TRP  31  -0.837 -11.403  -5.725
  214    HZ2  TRP  31           HZ2      TRP  31   0.550 -14.268  -9.542
  215    HZ3  TRP  31           HZ3      TRP  31  -2.272 -11.578  -7.738
  216    HH2  TRP  31           HH2      TRP  31  -1.584 -13.006  -9.645
  217    H    HIS  32           H        HIS  32   5.291 -13.056  -4.787
  218    HA   HIS  32           HA       HIS  32   6.161 -10.605  -6.161
  219   1HB   HIS  32          1HB       HIS  32   7.470 -12.601  -5.007
  220   2HB   HIS  32          2HB       HIS  32   7.315 -13.346  -6.597
  221    HD1  HIS  32           HD1      HIS  32  10.065 -12.350  -5.406
  222    HD2  HIS  32           HD2      HIS  32   7.689 -10.192  -8.063
  223    HE1  HIS  32           HE1      HIS  32  11.601 -10.703  -6.565
  224    H    ILE  33           H        ILE  33   4.650 -10.168  -7.801
  225    HA   ILE  33           HA       ILE  33   3.478 -12.148  -9.523
  226    HB   ILE  33           HB       ILE  33   3.874  -9.185 -10.022
  227   1HG1  ILE  33          1HG1      ILE  33   1.768 -10.630  -8.377
  228   2HG1  ILE  33          2HG1      ILE  33   2.964  -9.486  -7.772
  229   1HG2  ILE  33          1HG2      ILE  33   1.344 -10.486 -10.735
  230   2HG2  ILE  33          2HG2      ILE  33   2.731 -11.148 -11.598
  231   3HG2  ILE  33          3HG2      ILE  33   2.371  -9.426 -11.698
  232   1HD1  ILE  33          1HD1      ILE  33   1.791  -7.683  -8.496
  233   2HD1  ILE  33          2HD1      ILE  33   0.427  -8.799  -8.542
  234   3HD1  ILE  33          3HD1      ILE  33   1.344  -8.465 -10.011
  235    HA   PRO  34           HA       PRO  34   6.677 -10.630 -12.805
  236   1HB   PRO  34          1HB       PRO  34   8.946  -9.425 -11.842
  237   2HB   PRO  34          2HB       PRO  34   7.499  -8.523 -12.341
  238   1HG   PRO  34          1HG       PRO  34   8.355  -9.350  -9.599
  239   2HG   PRO  34          2HG       PRO  34   7.713  -7.793 -10.153
  240   1HD   PRO  34          1HD       PRO  34   6.159  -9.558  -8.882
  241   2HD   PRO  34          2HD       PRO  34   5.534  -8.558 -10.210
  242    H    THR  35           H        THR  35   7.266 -12.176  -9.824
  243    HA   THR  35           HA       THR  35   9.504 -13.758 -11.035
  244    HB   THR  35           HB       THR  35   8.886 -13.291  -8.132
  245    HG1  THR  35           HG1      THR  35  10.806 -12.030  -9.782
  246   1HG2  THR  35          1HG2      THR  35  10.751 -14.516  -7.657
  247   2HG2  THR  35          2HG2      THR  35  11.605 -13.947  -9.091
  248   3HG2  THR  35          3HG2      THR  35  10.412 -15.237  -9.230
  249    H    GLY  36           H        GLY  36   7.281 -14.236  -8.291
  250   1HA   GLY  36          1HA       GLY  36   5.381 -15.918  -8.813
  251   2HA   GLY  36          2HA       GLY  36   6.694 -16.954  -9.375
  252    H    THR  37           H        THR  37   8.207 -15.425  -7.022
  253    HA   THR  37           HA       THR  37   7.756 -17.590  -5.073
  254    HB   THR  37           HB       THR  37   9.574 -15.166  -4.988
  255    HG1  THR  37           HG1      THR  37  11.104 -16.824  -5.769
  256   1HG2  THR  37          1HG2      THR  37   9.643 -16.095  -2.860
  257   2HG2  THR  37          2HG2      THR  37  10.941 -16.974  -3.667
  258   3HG2  THR  37          3HG2      THR  37   9.362 -17.731  -3.455
  259    H    THR  38           H        THR  38   7.494 -16.966  -2.728
  260    HA   THR  38           HA       THR  38   5.754 -14.537  -2.439
  261    HB   THR  38           HB       THR  38   5.056 -16.331  -0.435
  262    HG1  THR  38           HG1      THR  38   4.688 -18.171  -2.113
  263   1HG2  THR  38          1HG2      THR  38   3.697 -14.925  -2.155
  264   2HG2  THR  38          2HG2      THR  38   2.994 -16.425  -1.552
  265   3HG2  THR  38          3HG2      THR  38   3.749 -16.384  -3.145
  266    H    GLN  39           H        GLN  39   5.838 -13.542  -0.269
  267    HA   GLN  39           HA       GLN  39   8.213 -14.286   1.380
  268   1HB   GLN  39          1HB       GLN  39   7.625 -11.715  -0.076
  269   2HB   GLN  39          2HB       GLN  39   8.603 -11.692   1.392
  270   1HG   GLN  39          1HG       GLN  39   9.955 -13.601   0.261
  271   2HG   GLN  39          2HG       GLN  39   9.182 -13.058  -1.229
  272   1HE2  GLN  39          1HE2      GLN  39  11.757 -12.404   0.974
  273   2HE2  GLN  39          2HE2      GLN  39  12.241 -10.919   0.309
  274    H    TRP  40           H        TRP  40   8.062 -12.085   3.127
  275    HA   TRP  40           HA       TRP  40   5.250 -12.101   4.149
  276   1HB   TRP  40          1HB       TRP  40   7.782 -13.114   5.409
  277   2HB   TRP  40          2HB       TRP  40   6.533 -12.425   6.446
  278    HD1  TRP  40           HD1      TRP  40   7.497 -15.564   4.792
  279    HE1  TRP  40           HE1      TRP  40   5.568 -17.272   4.875
  280    HE3  TRP  40           HE3      TRP  40   3.675 -12.507   6.248
  281    HZ2  TRP  40           HZ2      TRP  40   2.773 -17.333   5.480
  282    HZ3  TRP  40           HZ3      TRP  40   1.392 -13.415   6.570
  283    HH2  TRP  40           HH2      TRP  40   0.937 -15.822   6.188
  284    H    GLU  41           H        GLU  41   8.528 -10.726   4.327
  285    HA   GLU  41           HA       GLU  41   7.500  -8.300   5.702
  286   1HB   GLU  41          1HB       GLU  41  10.263  -9.234   4.853
  287   2HB   GLU  41          2HB       GLU  41   9.942  -7.791   5.813
  288   1HG   GLU  41          1HG       GLU  41   8.654  -9.417   7.394
  289   2HG   GLU  41          2HG       GLU  41   9.577 -10.680   6.576
  290    HA   PRO  42           HA       PRO  42   7.416  -5.834   2.073
  291   1HB   PRO  42          1HB       PRO  42   8.418  -3.450   2.969
  292   2HB   PRO  42          2HB       PRO  42   6.806  -4.047   3.410
  293   1HG   PRO  42          1HG       PRO  42   9.338  -4.104   4.972
  294   2HG   PRO  42          2HG       PRO  42   7.681  -3.807   5.519
  295   1HD   PRO  42          1HD       PRO  42   8.972  -6.189   5.842
  296   2HD   PRO  42          2HD       PRO  42   7.206  -6.036   5.713
  297    HA   PRO  43           HA       PRO  43  11.625  -6.467   0.648
  298   1HB   PRO  43          1HB       PRO  43  11.037  -6.240  -2.016
  299   2HB   PRO  43          2HB       PRO  43  10.733  -7.718  -1.080
  300   1HG   PRO  43          1HG       PRO  43   8.838  -5.582  -1.913
  301   2HG   PRO  43          2HG       PRO  43   8.599  -7.334  -1.826
  302   1HD   PRO  43          1HD       PRO  43   7.672  -5.586   0.057
  303   2HD   PRO  43          2HD       PRO  43   8.073  -7.283   0.399
  304    H    GLY  44           H        GLY  44   9.464  -3.885  -0.523
  305   1HA   GLY  44          1HA       GLY  44  11.729  -2.210  -1.350
  306   2HA   GLY  44          2HA       GLY  44  10.027  -1.752  -1.406
  307    H    ARG  45           H        ARG  45  12.634  -0.576  -0.139
  308    HA   ARG  45           HA       ARG  45  12.351  -0.512   2.692
  309   1HB   ARG  45          1HB       ARG  45  13.447   1.380   0.603
  310   2HB   ARG  45          2HB       ARG  45  13.572   1.732   2.327
  311   1HG   ARG  45          1HG       ARG  45  14.751  -0.398   2.689
  312   2HG   ARG  45          2HG       ARG  45  14.611  -0.775   0.971
  313   1HD   ARG  45          1HD       ARG  45  15.819   1.867   1.629
  314   2HD   ARG  45          2HD       ARG  45  16.799   0.434   1.994
  315    HE   ARG  45           HE       ARG  45  16.413  -0.278  -0.388
  316   1HH1  ARG  45          1HH1      ARG  45  14.262   1.609  -1.145
  317   2HH1  ARG  45          2HH1      ARG  45  15.123   2.854  -1.986
  318   1HH2  ARG  45          1HH2      ARG  45  18.222   1.923  -0.739
  319   2HH2  ARG  45          2HH2      ARG  45  17.365   3.033  -1.757
  320    H    ALA  46           H        ALA  46  11.077   0.770   4.049
  321    HA   ALA  46           HA       ALA  46   9.490   3.002   2.962
  322   1HB   ALA  46          1HB       ALA  46   7.560   1.361   4.186
  323   2HB   ALA  46          2HB       ALA  46   8.517   0.273   3.182
  324   3HB   ALA  46          3HB       ALA  46   7.729   1.675   2.459
  325    H    SER  47           H        SER  47   7.850   3.654   4.877
  326    HA   SER  47           HA       SER  47   7.665   4.448   7.095
  327   1HB   SER  47          1HB       SER  47   7.426   2.355   8.002
  328   2HB   SER  47          2HB       SER  47   8.846   1.729   7.172
  329    HG   SER  47           HG       SER  47  10.001   2.190   8.865
  330    HA   PRO  48           HA       PRO  48  11.354   6.767   7.704
  331   1HB   PRO  48          1HB       PRO  48  10.871   7.733  10.219
  332   2HB   PRO  48          2HB       PRO  48  10.029   8.332   8.774
  333   1HG   PRO  48          1HG       PRO  48   9.094   6.421  10.853
  334   2HG   PRO  48          2HG       PRO  48   8.198   7.681   9.991
  335   1HD   PRO  48          1HD       PRO  48   8.054   5.020   9.377
  336   2HD   PRO  48          2HD       PRO  48   7.750   6.324   8.209
  337    H    SER  49           H        SER  49  13.312   6.798   9.103
  338    HA   SER  49           HA       SER  49  15.032   5.543  10.157
  339   1HB   SER  49          1HB       SER  49  12.585   5.402  11.926
  340   2HB   SER  49          2HB       SER  49  14.140   4.761  12.452
  341    HG   SER  49           HG       SER  49  13.622   7.046  12.963
  342    H    GLN  50           H        GLN  50  14.191   3.993   8.108
  343    HA   GLN  50           HA       GLN  50  13.683   1.294   9.320
  344   1HB   GLN  50          1HB       GLN  50  11.983   2.463   7.748
  345   2HB   GLN  50          2HB       GLN  50  13.143   2.117   6.464
  346   1HG   GLN  50          1HG       GLN  50  11.926   0.054   8.326
  347   2HG   GLN  50          2HG       GLN  50  11.446   0.324   6.650
  348   1HE2  GLN  50          1HE2      GLN  50  13.039  -0.226   4.951
  349   2HE2  GLN  50          2HE2      GLN  50  14.321  -1.288   5.285
  Start of MODEL    8
    1    H    ASP   1           H        ASP   1  -5.221  -1.243  14.953
    2    HA   ASP   1           HA       ASP   1  -2.924  -2.047  16.661
    3   1HB   ASP   1          1HB       ASP   1  -3.462  -2.079  13.911
    4   2HB   ASP   1          2HB       ASP   1  -2.498  -0.621  14.153
    5    H    SER   2           H        SER   2  -5.177   0.434  15.943
    6    HA   SER   2           HA       SER   2  -3.748   2.348  17.636
    7   1HB   SER   2          1HB       SER   2  -3.092   2.233  14.934
    8   2HB   SER   2          2HB       SER   2  -4.254   3.555  15.014
    9    HG   SER   2           HG       SER   2  -2.334   4.474  15.494
   10    H    PHE   3           H        PHE   3  -5.229   3.803  18.505
   11    HA   PHE   3           HA       PHE   3  -8.063   3.410  17.900
   12   1HB   PHE   3          1HB       PHE   3  -6.777   3.910  20.136
   13   2HB   PHE   3          2HB       PHE   3  -6.906   5.591  19.621
   14    HD1  PHE   3           HD1      PHE   3  -8.813   2.566  20.566
   15    HD2  PHE   3           HD2      PHE   3  -9.034   6.738  19.570
   16    HE1  PHE   3           HE1      PHE   3 -11.161   2.630  21.358
   17    HE2  PHE   3           HE2      PHE   3 -11.384   6.802  20.362
   18    HZ   PHE   3           HZ       PHE   3 -12.447   4.748  21.255
   19    H    TRP   4           H        TRP   4  -5.680   5.222  16.416
   20    HA   TRP   4           HA       TRP   4  -6.701   7.799  16.006
   21   1HB   TRP   4          1HB       TRP   4  -5.056   5.820  14.513
   22   2HB   TRP   4          2HB       TRP   4  -5.681   7.176  13.574
   23    HD1  TRP   4           HD1      TRP   4  -3.568   6.443  16.703
   24    HE1  TRP   4           HE1      TRP   4  -2.030   8.466  17.138
   25    HE3  TRP   4           HE3      TRP   4  -5.286   9.647  13.115
   26    HZ2  TRP   4           HZ2      TRP   4  -1.588  11.096  16.103
   27    HZ3  TRP   4           HZ3      TRP   4  -4.290  11.902  12.862
   28    HH2  TRP   4           HH2      TRP   4  -2.445  12.630  14.350
   29    H    ASN   5           H        ASN   5  -7.175   5.179  13.609
   30    HA   ASN   5           HA       ASN   5  -9.841   6.392  12.965
   31   1HB   ASN   5          1HB       ASN   5  -7.542   5.609  11.446
   32   2HB   ASN   5          2HB       ASN   5  -8.889   4.572  10.974
   33   1HD2  ASN   5          1HD2      ASN   5  -8.799   5.824   8.862
   34   2HD2  ASN   5          2HD2      ASN   5  -9.579   7.330   8.778
   35    HA   PRO   6           HA       PRO   6 -11.850   2.649  14.063
   36   1HB   PRO   6          1HB       PRO   6 -13.743   2.403  12.101
   37   2HB   PRO   6          2HB       PRO   6 -13.839   3.621  13.388
   38   1HG   PRO   6          1HG       PRO   6 -12.962   3.921  10.561
   39   2HG   PRO   6          2HG       PRO   6 -13.901   5.026  11.576
   40   1HD   PRO   6          1HD       PRO   6 -11.242   5.347  11.047
   41   2HD   PRO   6          2HD       PRO   6 -12.037   5.956  12.515
   42    H    ASN   7           H        ASN   7 -10.588   2.927  10.795
   43    HA   ASN   7           HA       ASN   7  -9.439   0.296  10.802
   44   1HB   ASN   7          1HB       ASN   7 -11.808  -0.352  10.705
   45   2HB   ASN   7          2HB       ASN   7 -12.047   0.680   9.295
   46   1HD2  ASN   7          1HD2      ASN   7  -9.642  -1.852  10.250
   47   2HD2  ASN   7          2HD2      ASN   7  -9.709  -2.673   8.767
   48    H    ALA   8           H        ALA   8 -11.011   2.607   8.553
   49    HA   ALA   8           HA       ALA   8 -10.197   3.569   6.549
   50   1HB   ALA   8          1HB       ALA   8  -8.460   3.964   8.669
   51   2HB   ALA   8          2HB       ALA   8  -8.358   4.784   7.111
   52   3HB   ALA   8          3HB       ALA   8  -7.396   3.336   7.410
   53    H    PHE   9           H        PHE   9 -10.658   0.870   6.196
   54    HA   PHE   9           HA       PHE   9  -8.489  -0.779   5.437
   55   1HB   PHE   9          1HB       PHE   9 -10.323  -1.756   3.879
   56   2HB   PHE   9          2HB       PHE   9 -10.622  -1.758   5.612
   57    HD1  PHE   9           HD1      PHE   9 -10.742   1.493   3.941
   58    HD2  PHE   9           HD2      PHE   9 -13.058  -1.952   5.055
   59    HE1  PHE   9           HE1      PHE   9 -12.825   2.776   3.579
   60    HE2  PHE   9           HE2      PHE   9 -15.142  -0.661   4.697
   61    HZ   PHE   9           HZ       PHE   9 -15.027   1.703   3.960
   62    H    GLU  10           H        GLU  10  -6.946   0.627   4.318
   63    HA   GLU  10           HA       GLU  10  -7.770   1.718   1.688
   64   1HB   GLU  10          1HB       GLU  10  -5.587   2.799   1.816
   65   2HB   GLU  10          2HB       GLU  10  -6.410   2.992   3.359
   66   1HG   GLU  10          1HG       GLU  10  -5.139   0.671   3.849
   67   2HG   GLU  10          2HG       GLU  10  -4.013   1.365   2.682
   68    H    THR  11           H        THR  11  -5.263   1.441   0.408
   69    HA   THR  11           HA       THR  11  -5.404  -1.410  -0.403
   70    HB   THR  11           HB       THR  11  -3.626   0.673  -1.634
   71    HG1  THR  11           HG1      THR  11  -5.635   1.203  -2.855
   72   1HG2  THR  11          1HG2      THR  11  -3.628  -0.777  -3.359
   73   2HG2  THR  11          2HG2      THR  11  -5.389  -0.887  -3.346
   74   3HG2  THR  11          3HG2      THR  11  -4.433  -1.920  -2.283
   75    H    ASP  12           H        ASP  12  -2.799  -1.762  -1.341
   76    HA   ASP  12           HA       ASP  12  -1.380  -2.653   0.959
   77   1HB   ASP  12          1HB       ASP  12   0.509  -2.785  -0.759
   78   2HB   ASP  12          2HB       ASP  12  -0.988  -3.600  -1.211
   79    H    SER  13           H        SER  13   0.927  -1.836   1.473
   80    HA   SER  13           HA       SER  13   0.781   1.033   2.093
   81   1HB   SER  13          1HB       SER  13   2.771   0.493   3.413
   82   2HB   SER  13          2HB       SER  13   1.554  -0.752   3.664
   83    HG   SER  13           HG       SER  13   3.943  -0.827   2.182
   84    H    ASP  14           H        ASP  14   0.926   0.639  -0.703
   85    HA   ASP  14           HA       ASP  14   2.161   1.358  -2.582
   86   1HB   ASP  14          1HB       ASP  14   2.319   3.407  -1.340
   87   2HB   ASP  14          2HB       ASP  14   3.538   2.731  -0.260
   88    H    LEU  15           H        LEU  15   2.817  -1.129  -2.371
   89    HA   LEU  15           HA       LEU  15   5.503  -1.760  -1.498
   90   1HB   LEU  15          1HB       LEU  15   3.261  -3.014  -3.011
   91   2HB   LEU  15          2HB       LEU  15   4.860  -3.717  -3.253
   92    HG   LEU  15           HG       LEU  15   3.555  -4.759  -1.364
   93   1HD1  LEU  15          1HD1      LEU  15   5.918  -5.047  -1.296
   94   2HD1  LEU  15          2HD1      LEU  15   5.472  -4.486   0.316
   95   3HD1  LEU  15          3HD1      LEU  15   6.186  -3.364  -0.842
   96   1HD2  LEU  15          1HD2      LEU  15   3.259  -3.485   0.686
   97   2HD2  LEU  15          2HD2      LEU  15   2.502  -2.598  -0.636
   98   3HD2  LEU  15          3HD2      LEU  15   4.074  -2.090  -0.018
   99    HA   PRO  16           HA       PRO  16   7.908  -0.646  -4.996
  100   1HB   PRO  16          1HB       PRO  16   9.382  -2.893  -5.546
  101   2HB   PRO  16          2HB       PRO  16   9.685  -1.854  -4.137
  102   1HG   PRO  16          1HG       PRO  16   8.214  -4.441  -4.299
  103   2HG   PRO  16          2HG       PRO  16   9.334  -3.856  -3.057
  104   1HD   PRO  16          1HD       PRO  16   6.642  -3.823  -2.743
  105   2HD   PRO  16          2HD       PRO  16   7.714  -2.623  -1.990
  106    H    ALA  17           H        ALA  17   8.729  -2.033  -7.256
  107    HA   ALA  17           HA       ALA  17   6.145  -2.460  -8.639
  108   1HB   ALA  17          1HB       ALA  17   8.102  -2.667 -10.524
  109   2HB   ALA  17          2HB       ALA  17   8.945  -1.732  -9.289
  110   3HB   ALA  17          3HB       ALA  17   7.439  -1.126  -9.979
  111    H    GLY  18           H        GLY  18   5.368  -4.519  -8.723
  112   1HA   GLY  18          1HA       GLY  18   5.605  -6.762  -9.678
  113   2HA   GLY  18          2HA       GLY  18   7.309  -6.726  -9.230
  114    H    TRP  19           H        TRP  19   5.634  -5.370  -6.700
  115    HA   TRP  19           HA       TRP  19   5.434  -8.024  -5.317
  116   1HB   TRP  19          1HB       TRP  19   6.533  -5.335  -4.554
  117   2HB   TRP  19          2HB       TRP  19   5.955  -6.429  -3.301
  118    HD1  TRP  19           HD1      TRP  19   8.889  -5.745  -5.443
  119    HE1  TRP  19           HE1      TRP  19  10.638  -7.626  -5.203
  120    HE3  TRP  19           HE3      TRP  19   6.102  -9.226  -2.958
  121    HZ2  TRP  19           HZ2      TRP  19  10.826 -10.262  -4.103
  122    HZ3  TRP  19           HZ3      TRP  19   7.088 -11.411  -2.327
  123    HH2  TRP  19           HH2      TRP  19   9.444 -11.933  -2.896
  124    H    MET  20           H        MET  20   3.532  -8.414  -4.203
  125    HA   MET  20           HA       MET  20   1.510  -6.201  -4.106
  126   1HB   MET  20          1HB       MET  20   1.069  -9.188  -4.386
  127   2HB   MET  20          2HB       MET  20  -0.148  -7.925  -4.550
  128   1HG   MET  20          1HG       MET  20   2.297  -7.912  -6.305
  129   2HG   MET  20          2HG       MET  20   0.910  -8.921  -6.716
  130   1HE   MET  20          1HE       MET  20  -1.692  -6.513  -5.669
  131   2HE   MET  20          2HE       MET  20  -1.302  -8.152  -6.182
  132   3HE   MET  20          3HE       MET  20  -1.931  -6.997  -7.353
  133    H    ARG  21           H        ARG  21  -0.141  -6.576  -2.337
  134    HA   ARG  21           HA       ARG  21   1.117  -7.878   0.058
  135   1HB   ARG  21          1HB       ARG  21   1.087  -5.394   0.094
  136   2HB   ARG  21          2HB       ARG  21  -0.663  -5.424  -0.132
  137   1HG   ARG  21          1HG       ARG  21  -1.031  -6.423   1.991
  138   2HG   ARG  21          2HG       ARG  21   0.666  -6.868   2.163
  139   1HD   ARG  21          1HD       ARG  21   1.092  -4.278   2.012
  140   2HD   ARG  21          2HD       ARG  21  -0.615  -4.165   2.490
  141    HE   ARG  21           HE       ARG  21   0.932  -6.066   4.092
  142   1HH1  ARG  21          1HH1      ARG  21   0.604  -2.703   3.605
  143   2HH1  ARG  21          2HH1      ARG  21   0.459  -2.323   5.288
  144   1HH2  ARG  21          1HH2      ARG  21   0.435  -5.637   6.307
  145   2HH2  ARG  21          2HH2      ARG  21   0.364  -3.984   6.818
  146    H    VAL  22           H        VAL  22  -0.055  -9.760   0.368
  147    HA   VAL  22           HA       VAL  22  -3.030  -9.617   0.009
  148    HB   VAL  22           HB       VAL  22  -1.303 -12.088   0.095
  149   1HG1  VAL  22          1HG1      VAL  22  -3.413 -12.926   0.034
  150   2HG1  VAL  22          2HG1      VAL  22  -3.338 -12.509  -1.678
  151   3HG1  VAL  22          3HG1      VAL  22  -4.103 -11.406  -0.533
  152   1HG2  VAL  22          1HG2      VAL  22  -1.146 -11.963  -2.357
  153   2HG2  VAL  22          2HG2      VAL  22  -0.405 -10.537  -1.631
  154   3HG2  VAL  22          3HG2      VAL  22  -2.013 -10.427  -2.345
  155    H    GLN  23           H        GLN  23  -4.302 -10.850   1.571
  156    HA   GLN  23           HA       GLN  23  -2.953 -11.144   4.236
  157   1HB   GLN  23          1HB       GLN  23  -5.178  -9.562   3.307
  158   2HB   GLN  23          2HB       GLN  23  -5.747 -10.711   4.520
  159   1HG   GLN  23          1HG       GLN  23  -3.497  -9.903   5.744
  160   2HG   GLN  23          2HG       GLN  23  -3.829  -8.448   4.803
  161   1HE2  GLN  23          1HE2      GLN  23  -4.258  -7.481   7.045
  162   2HE2  GLN  23          2HE2      GLN  23  -5.803  -7.686   7.715
  163    H    ASP  24           H        ASP  24  -2.629 -13.456   3.510
  164    HA   ASP  24           HA       ASP  24  -4.891 -15.169   2.959
  165   1HB   ASP  24          1HB       ASP  24  -2.045 -15.262   3.080
  166   2HB   ASP  24          2HB       ASP  24  -2.674 -16.585   4.059
  167    H    THR  25           H        THR  25  -5.604 -16.940   4.436
  168    HA   THR  25           HA       THR  25  -6.508 -16.065   6.956
  169    HB   THR  25           HB       THR  25  -7.216 -18.061   5.538
  170    HG1  THR  25           HG1      THR  25  -7.326 -19.410   7.620
  171   1HG2  THR  25          1HG2      THR  25  -4.833 -18.907   5.330
  172   2HG2  THR  25          2HG2      THR  25  -6.024 -20.130   5.771
  173   3HG2  THR  25          3HG2      THR  25  -4.963 -19.449   7.004
  174    H    SER  26           H        SER  26  -3.378 -17.283   6.019
  175    HA   SER  26           HA       SER  26  -2.516 -17.970   8.732
  176   1HB   SER  26          1HB       SER  26  -0.714 -18.835   7.606
  177   2HB   SER  26          2HB       SER  26  -1.767 -18.646   6.206
  178    HG   SER  26           HG       SER  26   0.216 -17.649   5.814
  179    H    GLY  27           H        GLY  27  -2.235 -15.201   6.546
  180   1HA   GLY  27          1HA       GLY  27  -2.013 -13.200   8.438
  181   2HA   GLY  27          2HA       GLY  27  -0.356 -13.776   8.256
  182    H    THR  28           H        THR  28  -0.225 -11.401   7.479
  183    HA   THR  28           HA       THR  28  -1.126 -11.043   4.667
  184    HB   THR  28           HB       THR  28   0.318  -9.148   6.544
  185    HG1  THR  28           HG1      THR  28  -1.658  -9.919   7.418
  186   1HG2  THR  28          1HG2      THR  28   0.260  -7.769   4.774
  187   2HG2  THR  28          2HG2      THR  28  -1.501  -7.854   4.799
  188   3HG2  THR  28          3HG2      THR  28  -0.578  -8.991   3.817
  189    H    TYR  29           H        TYR  29   0.306 -11.835   3.149
  190    HA   TYR  29           HA       TYR  29   3.235 -11.582   3.747
  191   1HB   TYR  29          1HB       TYR  29   3.495 -13.541   2.327
  192   2HB   TYR  29          2HB       TYR  29   2.247 -13.875   3.522
  193    HD1  TYR  29           HD1      TYR  29   2.926 -13.138  -0.025
  194    HD2  TYR  29           HD2      TYR  29  -0.100 -14.056   2.884
  195    HE1  TYR  29           HE1      TYR  29   1.317 -13.617  -1.851
  196    HE2  TYR  29           HE2      TYR  29  -1.710 -14.535   1.058
  197    HH   TYR  29           HH       TYR  29  -0.985 -15.239  -1.890
  198    H    TYR  30           H        TYR  30   4.122 -12.060   1.123
  199    HA   TYR  30           HA       TYR  30   3.008  -9.736  -0.413
  200   1HB   TYR  30          1HB       TYR  30   5.848 -10.462   0.334
  201   2HB   TYR  30          2HB       TYR  30   5.495  -9.370  -1.007
  202    HD1  TYR  30           HD1      TYR  30   5.919  -9.636   2.538
  203    HD2  TYR  30           HD2      TYR  30   3.927  -7.366  -0.515
  204    HE1  TYR  30           HE1      TYR  30   5.604  -7.763   4.133
  205    HE2  TYR  30           HE2      TYR  30   3.612  -5.494   1.080
  206    HH   TYR  30           HH       TYR  30   4.506  -5.817   4.487
  207    H    TRP  31           H        TRP  31   2.366 -10.437  -2.404
  208    HA   TRP  31           HA       TRP  31   3.361 -13.023  -3.450
  209   1HB   TRP  31          1HB       TRP  31   1.007 -12.705  -3.523
  210   2HB   TRP  31          2HB       TRP  31   1.169 -11.060  -4.137
  211    HD1  TRP  31           HD1      TRP  31   3.101 -14.055  -5.543
  212    HE1  TRP  31           HE1      TRP  31   2.401 -14.407  -7.999
  213    HE3  TRP  31           HE3      TRP  31  -0.675 -10.632  -5.884
  214    HZ2  TRP  31           HZ2      TRP  31   0.493 -13.374  -9.861
  215    HZ3  TRP  31           HZ3      TRP  31  -1.915 -10.337  -8.009
  216    HH2  TRP  31           HH2      TRP  31  -1.336 -11.702  -9.996
  217    H    HIS  32           H        HIS  32   4.885 -13.126  -5.062
  218    HA   HIS  32           HA       HIS  32   5.943 -10.600  -6.171
  219   1HB   HIS  32          1HB       HIS  32   7.195 -12.686  -5.213
  220   2HB   HIS  32          2HB       HIS  32   6.884 -13.399  -6.793
  221    HD1  HIS  32           HD1      HIS  32   7.506  -9.715  -6.542
  222    HD2  HIS  32           HD2      HIS  32   9.655 -13.157  -7.493
  223    HE1  HIS  32           HE1      HIS  32   9.683  -8.938  -7.572
  224    H    ILE  33           H        ILE  33   4.677  -9.860  -7.838
  225    HA   ILE  33           HA       ILE  33   3.047 -11.358  -9.592
  226    HB   ILE  33           HB       ILE  33   4.469  -8.702  -9.915
  227   1HG1  ILE  33          1HG1      ILE  33   1.737  -9.485  -8.849
  228   2HG1  ILE  33          2HG1      ILE  33   3.065  -8.777  -7.928
  229   1HG2  ILE  33          1HG2      ILE  33   2.150  -9.952 -11.414
  230   2HG2  ILE  33          2HG2      ILE  33   3.691  -9.415 -12.084
  231   3HG2  ILE  33          3HG2      ILE  33   2.532  -8.231 -11.476
  232   1HD1  ILE  33          1HD1      ILE  33   2.477  -7.152 -10.250
  233   2HD1  ILE  33          2HD1      ILE  33   2.464  -6.698  -8.546
  234   3HD1  ILE  33          3HD1      ILE  33   1.020  -7.391  -9.283
  235    HA   PRO  34           HA       PRO  34   6.643 -11.168 -12.761
  236   1HB   PRO  34          1HB       PRO  34   9.187 -10.969 -11.776
  237   2HB   PRO  34          2HB       PRO  34   8.203  -9.565 -12.234
  238   1HG   PRO  34          1HG       PRO  34   8.766 -10.686  -9.543
  239   2HG   PRO  34          2HG       PRO  34   8.609  -8.999 -10.052
  240   1HD   PRO  34          1HD       PRO  34   6.657 -10.391  -8.752
  241   2HD   PRO  34          2HD       PRO  34   6.335  -9.010  -9.820
  242    H    THR  35           H        THR  35   8.350 -12.487  -9.877
  243    HA   THR  35           HA       THR  35   8.797 -15.016 -11.315
  244    HB   THR  35           HB       THR  35   9.476 -14.783  -8.469
  245    HG1  THR  35           HG1      THR  35  10.844 -13.129 -10.283
  246   1HG2  THR  35          1HG2      THR  35  10.935 -15.404 -11.037
  247   2HG2  THR  35          2HG2      THR  35  10.476 -16.527  -9.758
  248   3HG2  THR  35          3HG2      THR  35  11.745 -15.338  -9.472
  249    H    GLY  36           H        GLY  36   6.827 -13.865  -8.597
  250   1HA   GLY  36          1HA       GLY  36   4.697 -14.933  -8.071
  251   2HA   GLY  36          2HA       GLY  36   5.332 -16.438  -8.735
  252    H    THR  37           H        THR  37   7.801 -15.143  -6.979
  253    HA   THR  37           HA       THR  37   7.669 -17.118  -4.902
  254    HB   THR  37           HB       THR  37   9.199 -14.576  -4.551
  255    HG1  THR  37           HG1      THR  37   9.363 -16.315  -6.751
  256   1HG2  THR  37          1HG2      THR  37   9.509 -17.485  -4.061
  257   2HG2  THR  37          2HG2      THR  37  10.011 -16.115  -3.070
  258   3HG2  THR  37          3HG2      THR  37  10.979 -16.598  -4.463
  259    H    THR  38           H        THR  38   7.219 -16.795  -2.634
  260    HA   THR  38           HA       THR  38   5.531 -14.377  -2.059
  261    HB   THR  38           HB       THR  38   4.794 -16.380  -0.282
  262    HG1  THR  38           HG1      THR  38   4.544 -18.201  -1.642
  263   1HG2  THR  38          1HG2      THR  38   3.569 -14.771  -2.067
  264   2HG2  THR  38          2HG2      THR  38   2.750 -16.124  -1.286
  265   3HG2  THR  38          3HG2      THR  38   3.410 -16.312  -2.911
  266    H    GLN  39           H        GLN  39   5.752 -13.498   0.101
  267    HA   GLN  39           HA       GLN  39   8.008 -14.571   1.738
  268   1HB   GLN  39          1HB       GLN  39   7.651 -11.690   0.848
  269   2HB   GLN  39          2HB       GLN  39   8.982 -12.323   1.818
  270   1HG   GLN  39          1HG       GLN  39   9.146 -14.008  -0.278
  271   2HG   GLN  39          2HG       GLN  39   8.465 -12.603  -1.099
  272   1HE2  GLN  39          1HE2      GLN  39  11.313 -13.818  -1.072
  273   2HE2  GLN  39          2HE2      GLN  39  12.312 -12.491  -0.720
  274    H    TRP  40           H        TRP  40   7.776 -11.888   3.216
  275    HA   TRP  40           HA       TRP  40   5.073 -12.084   4.426
  276   1HB   TRP  40          1HB       TRP  40   6.683 -13.780   5.448
  277   2HB   TRP  40          2HB       TRP  40   7.613 -12.410   6.045
  278    HD1  TRP  40           HD1      TRP  40   6.652 -11.023   8.028
  279    HE1  TRP  40           HE1      TRP  40   4.675 -11.379   9.645
  280    HE3  TRP  40           HE3      TRP  40   4.198 -14.790   5.604
  281    HZ2  TRP  40           HZ2      TRP  40   2.360 -13.042   9.877
  282    HZ3  TRP  40           HZ3      TRP  40   2.111 -15.738   6.545
  283    HH2  TRP  40           HH2      TRP  40   1.191 -14.871   8.677
  284    H    GLU  41           H        GLU  41   8.333 -10.679   4.782
  285    HA   GLU  41           HA       GLU  41   7.247  -8.180   5.904
  286   1HB   GLU  41          1HB       GLU  41  10.063  -8.889   5.033
  287   2HB   GLU  41          2HB       GLU  41   9.589  -7.651   6.196
  288   1HG   GLU  41          1HG       GLU  41   8.571  -9.507   7.596
  289   2HG   GLU  41          2HG       GLU  41   9.351 -10.653   6.506
  290    HA   PRO  42           HA       PRO  42   7.116  -5.920   2.146
  291   1HB   PRO  42          1HB       PRO  42   8.019  -3.456   2.926
  292   2HB   PRO  42          2HB       PRO  42   6.425  -4.089   3.382
  293   1HG   PRO  42          1HG       PRO  42   8.936  -3.964   4.971
  294   2HG   PRO  42          2HG       PRO  42   7.261  -3.711   5.484
  295   1HD   PRO  42          1HD       PRO  42   8.656  -6.019   5.935
  296   2HD   PRO  42          2HD       PRO  42   6.885  -5.944   5.800
  297    HA   PRO  43           HA       PRO  43  11.313  -6.383   0.695
  298   1HB   PRO  43          1HB       PRO  43  10.750  -6.022  -1.957
  299   2HB   PRO  43          2HB       PRO  43  10.424  -7.542  -1.100
  300   1HG   PRO  43          1HG       PRO  43   8.555  -5.362  -1.863
  301   2HG   PRO  43          2HG       PRO  43   8.298  -7.113  -1.831
  302   1HD   PRO  43          1HD       PRO  43   7.392  -5.388   0.101
  303   2HD   PRO  43          2HD       PRO  43   7.717  -7.114   0.374
  304    H    GLY  44           H        GLY  44  11.955  -4.314   1.702
  305   1HA   GLY  44          1HA       GLY  44  12.078  -2.103  -0.303
  306   2HA   GLY  44          2HA       GLY  44  11.656  -1.761   1.375
  307    H    ARG  45           H        ARG  45  14.253  -2.878  -0.743
  308    HA   ARG  45           HA       ARG  45  16.196  -2.471   1.502
  309   1HB   ARG  45          1HB       ARG  45  15.813  -4.640  -0.046
  310   2HB   ARG  45          2HB       ARG  45  16.942  -3.765  -1.081
  311   1HG   ARG  45          1HG       ARG  45  18.587  -3.659   0.679
  312   2HG   ARG  45          2HG       ARG  45  17.442  -4.297   1.858
  313   1HD   ARG  45          1HD       ARG  45  17.296  -6.349   0.224
  314   2HD   ARG  45          2HD       ARG  45  18.856  -5.746  -0.369
  315    HE   ARG  45           HE       ARG  45  18.388  -6.936   2.248
  316   1HH1  ARG  45          1HH1      ARG  45  20.922  -6.734   0.424
  317   2HH1  ARG  45          2HH1      ARG  45  21.975  -5.855   1.484
  318   1HH2  ARG  45          1HH2      ARG  45  19.436  -4.894   3.641
  319   2HH2  ARG  45          2HH2      ARG  45  21.133  -4.814   3.304
  320    H    ALA  46           H        ALA  46  17.843  -0.949   1.233
  321    HA   ALA  46           HA       ALA  46  18.986   0.894   0.290
  322   1HB   ALA  46          1HB       ALA  46  18.749   0.530  -2.437
  323   2HB   ALA  46          2HB       ALA  46  18.469  -1.097  -1.816
  324   3HB   ALA  46          3HB       ALA  46  19.963  -0.247  -1.422
  325    H    SER  47           H        SER  47  17.718   2.700   0.746
  326    HA   SER  47           HA       SER  47  15.174   3.188  -0.628
  327   1HB   SER  47          1HB       SER  47  15.021   4.986   0.907
  328   2HB   SER  47          2HB       SER  47  15.945   3.769   1.783
  329    HG   SER  47           HG       SER  47  17.835   4.862   1.183
  330    HA   PRO  48           HA       PRO  48  16.912   5.407  -4.015
  331   1HB   PRO  48          1HB       PRO  48  14.696   6.837  -4.748
  332   2HB   PRO  48          2HB       PRO  48  14.875   5.100  -5.070
  333   1HG   PRO  48          1HG       PRO  48  13.337   6.478  -2.928
  334   2HG   PRO  48          2HG       PRO  48  12.926   5.031  -3.861
  335   1HD   PRO  48          1HD       PRO  48  13.879   4.962  -1.303
  336   2HD   PRO  48          2HD       PRO  48  14.105   3.645  -2.475
  337    H    SER  49           H        SER  49  15.333   7.040  -1.338
  338    HA   SER  49           HA       SER  49  16.803   9.564  -2.033
  339   1HB   SER  49          1HB       SER  49  14.915  10.683  -1.390
  340   2HB   SER  49          2HB       SER  49  14.127   9.133  -1.669
  341    HG   SER  49           HG       SER  49  14.701  10.451   0.682
  342    H    GLN  50           H        GLN  50  16.634  10.787   0.468
  343    HA   GLN  50           HA       GLN  50  18.550   9.136   2.041
  344   1HB   GLN  50          1HB       GLN  50  19.208  11.262   2.971
  345   2HB   GLN  50          2HB       GLN  50  18.997  11.509   1.237
  346   1HG   GLN  50          1HG       GLN  50  16.795  12.464   1.581
  347   2HG   GLN  50          2HG       GLN  50  16.849  12.072   3.300
  348   1HE2  GLN  50          1HE2      GLN  50  17.843  14.396   0.894
  349   2HE2  GLN  50          2HE2      GLN  50  18.665  15.439   1.951
  Start of MODEL    9
    1    H    ASP   1           H        ASP   1  -6.128  16.000  11.015
    2    HA   ASP   1           HA       ASP   1  -3.829  15.348   9.952
    3   1HB   ASP   1          1HB       ASP   1  -6.344  14.015  10.703
    4   2HB   ASP   1          2HB       ASP   1  -5.289  13.016   9.702
    5    H    SER   2           H        SER   2  -3.355  13.660   8.155
    6    HA   SER   2           HA       SER   2  -5.028  13.966   5.727
    7   1HB   SER   2          1HB       SER   2  -2.916  14.741   4.504
    8   2HB   SER   2          2HB       SER   2  -3.641  15.914   5.598
    9    HG   SER   2           HG       SER   2  -1.190  14.995   5.639
   10    H    PHE   3           H        PHE   3  -5.218  11.611   6.100
   11    HA   PHE   3           HA       PHE   3  -2.982  10.130   4.844
   12   1HB   PHE   3          1HB       PHE   3  -3.712  10.123   7.710
   13   2HB   PHE   3          2HB       PHE   3  -3.512   8.521   6.999
   14    HD1  PHE   3           HD1      PHE   3  -1.380   8.168   5.521
   15    HD2  PHE   3           HD2      PHE   3  -1.822  11.325   8.400
   16    HE1  PHE   3           HE1      PHE   3   1.084   8.433   5.606
   17    HE2  PHE   3           HE2      PHE   3   0.643  11.592   8.485
   18    HZ   PHE   3           HZ       PHE   3   2.095  10.145   7.089
   19    H    TRP   4           H        TRP   4  -6.109   9.752   6.557
   20    HA   TRP   4           HA       TRP   4  -7.000   7.334   5.495
   21   1HB   TRP   4          1HB       TRP   4  -8.391   9.941   6.142
   22   2HB   TRP   4          2HB       TRP   4  -9.293   8.490   5.704
   23    HD1  TRP   4           HD1      TRP   4  -8.308  10.206   8.656
   24    HE1  TRP   4           HE1      TRP   4  -8.045   8.632  10.681
   25    HE3  TRP   4           HE3      TRP   4  -8.116   5.703   6.254
   26    HZ2  TRP   4           HZ2      TRP   4  -7.787   5.834  11.211
   27    HZ3  TRP   4           HZ3      TRP   4  -7.861   3.601   7.543
   28    HH2  TRP   4           HH2      TRP   4  -7.697   3.661  10.015
   29    H    ASN   5           H        ASN   5  -7.020   6.712   3.369
   30    HA   ASN   5           HA       ASN   5  -7.717   8.766   1.296
   31   1HB   ASN   5          1HB       ASN   5  -5.500   7.108   1.606
   32   2HB   ASN   5          2HB       ASN   5  -6.479   6.269   0.405
   33   1HD2  ASN   5          1HD2      ASN   5  -6.196   9.794   0.942
   34   2HD2  ASN   5          2HD2      ASN   5  -5.597  10.145  -0.606
   35    HA   PRO   6           HA       PRO   6 -11.170   5.709   1.395
   36   1HB   PRO   6          1HB       PRO   6 -13.152   7.567   1.063
   37   2HB   PRO   6          2HB       PRO   6 -12.494   7.130   2.652
   38   1HG   PRO   6          1HG       PRO   6 -11.913   9.499   0.950
   39   2HG   PRO   6          2HG       PRO   6 -12.067   9.382   2.709
   40   1HD   PRO   6          1HD       PRO   6  -9.670   9.515   1.403
   41   2HD   PRO   6          2HD       PRO   6  -9.890   8.740   2.987
   42    H    ASN   7           H        ASN   7 -10.357   8.384  -0.743
   43    HA   ASN   7           HA       ASN   7 -12.045   7.685  -2.958
   44   1HB   ASN   7          1HB       ASN   7 -11.031   9.852  -2.827
   45   2HB   ASN   7          2HB       ASN   7  -9.418   9.158  -2.642
   46   1HD2  ASN   7          1HD2      ASN   7 -11.750  10.248  -4.956
   47   2HD2  ASN   7          2HD2      ASN   7 -10.917   9.752  -6.349
   48    H    ALA   8           H        ALA   8  -9.035   6.372  -1.761
   49    HA   ALA   8           HA       ALA   8  -8.785   4.685  -4.228
   50   1HB   ALA   8          1HB       ALA   8  -6.536   4.719  -2.358
   51   2HB   ALA   8          2HB       ALA   8  -6.980   6.340  -2.895
   52   3HB   ALA   8          3HB       ALA   8  -6.560   5.103  -4.079
   53    H    PHE   9           H        PHE   9  -9.748   2.719  -3.820
   54    HA   PHE   9           HA       PHE   9  -9.389   1.512  -1.102
   55   1HB   PHE   9          1HB       PHE   9 -11.424   0.142  -1.993
   56   2HB   PHE   9          2HB       PHE   9 -11.692   1.809  -1.495
   57    HD1  PHE   9           HD1      PHE   9 -10.398   0.096  -4.584
   58    HD2  PHE   9           HD2      PHE   9 -13.109   2.979  -2.915
   59    HE1  PHE   9           HE1      PHE   9 -11.219   0.641  -6.860
   60    HE2  PHE   9           HE2      PHE   9 -13.932   3.523  -5.191
   61    HZ   PHE   9           HZ       PHE   9 -12.986   2.354  -7.163
   62    H    GLU  10           H        GLU  10  -7.257   1.247  -2.907
   63    HA   GLU  10           HA       GLU  10  -7.568  -1.505  -4.043
   64   1HB   GLU  10          1HB       GLU  10  -6.179   0.976  -4.754
   65   2HB   GLU  10          2HB       GLU  10  -5.128  -0.438  -4.847
   66   1HG   GLU  10          1HG       GLU  10  -6.867  -1.589  -6.224
   67   2HG   GLU  10          2HG       GLU  10  -7.815  -0.102  -6.211
   68    H    THR  11           H        THR  11  -5.100  -2.508  -4.011
   69    HA   THR  11           HA       THR  11  -4.391  -2.619  -1.106
   70    HB   THR  11           HB       THR  11  -3.427  -4.574  -3.158
   71    HG1  THR  11           HG1      THR  11  -6.086  -4.124  -2.381
   72   1HG2  THR  11          1HG2      THR  11  -4.725  -5.528  -0.719
   73   2HG2  THR  11          2HG2      THR  11  -3.408  -4.403  -0.387
   74   3HG2  THR  11          3HG2      THR  11  -3.105  -5.861  -1.331
   75    H    ASP  12           H        ASP  12  -1.842  -3.773  -1.434
   76    HA   ASP  12           HA       ASP  12   0.413  -3.091  -1.650
   77   1HB   ASP  12          1HB       ASP  12  -0.170  -3.610  -3.978
   78   2HB   ASP  12          2HB       ASP  12  -0.834  -1.991  -4.192
   79    H    SER  13           H        SER  13   0.433  -1.556   0.102
   80    HA   SER  13           HA       SER  13  -0.487   1.176  -0.208
   81   1HB   SER  13          1HB       SER  13   0.533  -0.583   1.794
   82   2HB   SER  13          2HB       SER  13   1.481   0.899   1.831
   83    HG   SER  13           HG       SER  13  -0.355   1.136   3.114
   84    H    ASP  14           H        ASP  14   2.829   0.281   0.659
   85    HA   ASP  14           HA       ASP  14   3.820   2.143  -1.476
   86   1HB   ASP  14          1HB       ASP  14   4.199   2.017   1.458
   87   2HB   ASP  14          2HB       ASP  14   5.667   2.314   0.528
   88    H    LEU  15           H        LEU  15   3.658  -0.599  -1.999
   89    HA   LEU  15           HA       LEU  15   6.257  -1.848  -1.350
   90   1HB   LEU  15          1HB       LEU  15   3.708  -2.611  -2.768
   91   2HB   LEU  15          2HB       LEU  15   5.142  -3.626  -2.918
   92    HG   LEU  15           HG       LEU  15   3.810  -4.456  -1.069
   93   1HD1  LEU  15          1HD1      LEU  15   5.633  -4.784   0.232
   94   2HD1  LEU  15          2HD1      LEU  15   5.783  -3.064   0.590
   95   3HD1  LEU  15          3HD1      LEU  15   6.478  -3.720  -0.892
   96   1HD2  LEU  15          1HD2      LEU  15   4.125  -1.947   0.509
   97   2HD2  LEU  15          2HD2      LEU  15   2.814  -3.126   0.524
   98   3HD2  LEU  15          3HD2      LEU  15   2.911  -1.932  -0.770
   99    HA   PRO  16           HA       PRO  16   8.290  -0.832  -5.107
  100   1HB   PRO  16          1HB       PRO  16   9.430  -3.209  -5.854
  101   2HB   PRO  16          2HB       PRO  16  10.020  -2.242  -4.489
  102   1HG   PRO  16          1HG       PRO  16   8.275  -4.656  -4.482
  103   2HG   PRO  16          2HG       PRO  16   9.593  -4.213  -3.385
  104   1HD   PRO  16          1HD       PRO  16   6.971  -3.910  -2.745
  105   2HD   PRO  16          2HD       PRO  16   8.253  -2.854  -2.109
  106    H    ALA  17           H        ALA  17   8.676  -2.359  -7.434
  107    HA   ALA  17           HA       ALA  17   5.886  -2.494  -8.464
  108   1HB   ALA  17          1HB       ALA  17   8.472  -2.655 -10.020
  109   2HB   ALA  17          2HB       ALA  17   7.839  -1.115  -9.442
  110   3HB   ALA  17          3HB       ALA  17   6.900  -2.085 -10.576
  111    H    GLY  18           H        GLY  18   4.967  -4.492  -8.547
  112   1HA   GLY  18          1HA       GLY  18   4.944  -6.709  -9.591
  113   2HA   GLY  18          2HA       GLY  18   6.684  -6.804  -9.331
  114    H    TRP  19           H        TRP  19   5.218  -5.432  -6.632
  115    HA   TRP  19           HA       TRP  19   5.138  -8.108  -5.269
  116   1HB   TRP  19          1HB       TRP  19   6.292  -5.426  -4.602
  117   2HB   TRP  19          2HB       TRP  19   5.705  -6.427  -3.273
  118    HD1  TRP  19           HD1      TRP  19   8.539  -6.061  -5.680
  119    HE1  TRP  19           HE1      TRP  19  10.240  -7.968  -5.337
  120    HE3  TRP  19           HE3      TRP  19   5.849  -9.094  -2.575
  121    HZ2  TRP  19           HZ2      TRP  19  10.431 -10.457  -3.935
  122    HZ3  TRP  19           HZ3      TRP  19   6.812 -11.224  -1.755
  123    HH2  TRP  19           HH2      TRP  19   9.096 -11.907  -2.432
  124    H    MET  20           H        MET  20   3.105  -8.603  -4.537
  125    HA   MET  20           HA       MET  20   1.138  -6.376  -4.210
  126   1HB   MET  20          1HB       MET  20   0.684  -8.173  -5.830
  127   2HB   MET  20          2HB       MET  20   0.784  -9.369  -4.550
  128   1HG   MET  20          1HG       MET  20  -1.560  -8.767  -5.065
  129   2HG   MET  20          2HG       MET  20  -1.127  -8.318  -3.418
  130   1HE   MET  20          1HE       MET  20  -3.345  -6.304  -6.192
  131   2HE   MET  20          2HE       MET  20  -2.412  -7.768  -6.491
  132   3HE   MET  20          3HE       MET  20  -1.870  -6.233  -7.165
  133    H    ARG  21           H        ARG  21  -0.529  -6.830  -2.528
  134    HA   ARG  21           HA       ARG  21   0.694  -7.996  -0.044
  135   1HB   ARG  21          1HB       ARG  21   0.596  -5.539  -0.037
  136   2HB   ARG  21          2HB       ARG  21  -1.121  -5.592  -0.437
  137   1HG   ARG  21          1HG       ARG  21  -1.722  -6.420   1.671
  138   2HG   ARG  21          2HG       ARG  21  -0.098  -7.023   2.003
  139   1HD   ARG  21          1HD       ARG  21   0.282  -4.280   1.630
  140   2HD   ARG  21          2HD       ARG  21  -1.222  -4.390   2.569
  141    HE   ARG  21           HE       ARG  21   0.725  -6.250   3.592
  142   1HH1  ARG  21          1HH1      ARG  21  -1.036  -4.464   5.260
  143   2HH1  ARG  21          2HH1      ARG  21   0.121  -3.386   5.967
  144   1HH2  ARG  21          1HH2      ARG  21   2.638  -4.188   3.719
  145   2HH2  ARG  21          2HH2      ARG  21   2.201  -3.229   5.095
  146    H    VAL  22           H        VAL  22  -0.424  -9.918   0.285
  147    HA   VAL  22           HA       VAL  22  -3.376  -9.917  -0.236
  148    HB   VAL  22           HB       VAL  22  -1.583 -12.309   0.177
  149   1HG1  VAL  22          1HG1      VAL  22  -3.684 -12.501  -1.809
  150   2HG1  VAL  22          2HG1      VAL  22  -4.335 -11.956  -0.263
  151   3HG1  VAL  22          3HG1      VAL  22  -3.436 -13.470  -0.356
  152   1HG2  VAL  22          1HG2      VAL  22  -1.969 -10.609  -2.291
  153   2HG2  VAL  22          2HG2      VAL  22  -1.530 -12.313  -2.408
  154   3HG2  VAL  22          3HG2      VAL  22  -0.458 -11.181  -1.584
  155    H    GLN  23           H        GLN  23  -4.708 -11.079   1.344
  156    HA   GLN  23           HA       GLN  23  -3.529 -11.062   4.104
  157   1HB   GLN  23          1HB       GLN  23  -5.205  -9.255   3.425
  158   2HB   GLN  23          2HB       GLN  23  -6.407 -10.543   3.314
  159   1HG   GLN  23          1HG       GLN  23  -6.541 -10.791   5.575
  160   2HG   GLN  23          2HG       GLN  23  -4.812 -10.534   5.804
  161   1HE2  GLN  23          1HE2      GLN  23  -6.904  -9.240   7.399
  162   2HE2  GLN  23          2HE2      GLN  23  -6.779  -7.571   7.120
  163    H    ASP  24           H        ASP  24  -3.089 -13.340   4.119
  164    HA   ASP  24           HA       ASP  24  -5.368 -15.179   3.594
  165   1HB   ASP  24          1HB       ASP  24  -2.538 -15.188   3.258
  166   2HB   ASP  24          2HB       ASP  24  -2.955 -16.487   4.374
  167    H    THR  25           H        THR  25  -5.639 -16.992   5.232
  168    HA   THR  25           HA       THR  25  -6.337 -16.099   7.789
  169    HB   THR  25           HB       THR  25  -6.147 -18.558   8.360
  170    HG1  THR  25           HG1      THR  25  -5.298 -19.905   6.860
  171   1HG2  THR  25          1HG2      THR  25  -7.952 -17.306   6.818
  172   2HG2  THR  25          2HG2      THR  25  -8.026 -19.039   7.131
  173   3HG2  THR  25          3HG2      THR  25  -7.323 -18.445   5.628
  174    H    SER  26           H        SER  26  -3.272 -17.712   6.856
  175    HA   SER  26           HA       SER  26  -1.989 -17.691   9.362
  176   1HB   SER  26          1HB       SER  26  -0.232 -18.404   8.085
  177   2HB   SER  26          2HB       SER  26  -1.412 -18.390   6.776
  178    HG   SER  26           HG       SER  26   0.768 -16.856   7.128
  179    H    GLY  27           H        GLY  27  -2.326 -15.092   6.981
  180   1HA   GLY  27          1HA       GLY  27  -2.338 -12.897   8.588
  181   2HA   GLY  27          2HA       GLY  27  -0.616 -13.276   8.533
  182    H    THR  28           H        THR  28  -1.045 -10.913   7.503
  183    HA   THR  28           HA       THR  28  -1.740 -11.032   4.639
  184    HB   THR  28           HB       THR  28  -0.735  -8.848   6.493
  185    HG1  THR  28           HG1      THR  28  -2.814  -8.377   6.733
  186   1HG2  THR  28          1HG2      THR  28  -0.825  -7.346   4.766
  187   2HG2  THR  28          2HG2      THR  28  -2.118  -8.215   3.941
  188   3HG2  THR  28          3HG2      THR  28  -0.452  -8.781   3.812
  189    H    TYR  29           H        TYR  29  -0.197 -11.786   3.244
  190    HA   TYR  29           HA       TYR  29   2.676 -11.171   3.848
  191   1HB   TYR  29          1HB       TYR  29   3.148 -13.229   2.619
  192   2HB   TYR  29          2HB       TYR  29   1.937 -13.560   3.852
  193    HD1  TYR  29           HD1      TYR  29   2.631 -13.371   0.280
  194    HD2  TYR  29           HD2      TYR  29  -0.467 -13.786   3.223
  195    HE1  TYR  29           HE1      TYR  29   1.076 -14.178  -1.474
  196    HE2  TYR  29           HE2      TYR  29  -2.024 -14.593   1.470
  197    HH   TYR  29           HH       TYR  29  -0.939 -15.019  -1.897
  198    H    TYR  30           H        TYR  30   3.549 -11.922   1.195
  199    HA   TYR  30           HA       TYR  30   2.263  -9.829  -0.516
  200   1HB   TYR  30          1HB       TYR  30   5.236 -10.247  -0.072
  201   2HB   TYR  30          2HB       TYR  30   4.493  -8.977  -1.046
  202    HD1  TYR  30           HD1      TYR  30   2.619  -7.569   0.254
  203    HD2  TYR  30           HD2      TYR  30   5.839  -9.718   2.116
  204    HE1  TYR  30           HE1      TYR  30   2.404  -6.143   2.271
  205    HE2  TYR  30           HE2      TYR  30   5.624  -8.292   4.134
  206    HH   TYR  30           HH       TYR  30   3.006  -6.470   4.826
  207    H    TRP  31           H        TRP  31   2.508 -10.216  -2.799
  208    HA   TRP  31           HA       TRP  31   3.416 -12.996  -3.480
  209   1HB   TRP  31          1HB       TRP  31   1.009 -12.706  -3.627
  210   2HB   TRP  31          2HB       TRP  31   1.205 -11.237  -4.578
  211    HD1  TRP  31           HD1      TRP  31   3.670 -13.841  -5.511
  212    HE1  TRP  31           HE1      TRP  31   2.998 -14.956  -7.736
  213    HE3  TRP  31           HE3      TRP  31  -1.090 -12.053  -5.993
  214    HZ2  TRP  31           HZ2      TRP  31   0.741 -15.073  -9.489
  215    HZ3  TRP  31           HZ3      TRP  31  -2.478 -12.682  -7.948
  216    HH2  TRP  31           HH2      TRP  31  -1.568 -14.189  -9.695
  217    H    HIS  32           H        HIS  32   5.231 -12.958  -4.738
  218    HA   HIS  32           HA       HIS  32   6.109 -10.524  -6.102
  219   1HB   HIS  32          1HB       HIS  32   7.326 -12.641  -4.951
  220   2HB   HIS  32          2HB       HIS  32   7.347 -13.183  -6.629
  221    HD1  HIS  32           HD1      HIS  32  10.058 -12.605  -5.620
  222    HD2  HIS  32           HD2      HIS  32   7.639  -9.542  -7.084
  223    HE1  HIS  32           HE1      HIS  32  11.610 -10.710  -6.263
  224    H    ILE  33           H        ILE  33   4.527 -10.125  -7.712
  225    HA   ILE  33           HA       ILE  33   3.447 -12.014  -9.542
  226    HB   ILE  33           HB       ILE  33   3.918  -9.027  -9.587
  227   1HG1  ILE  33          1HG1      ILE  33   1.586 -10.855  -8.950
  228   2HG1  ILE  33          2HG1      ILE  33   2.354  -9.672  -7.891
  229   1HG2  ILE  33          1HG2      ILE  33   2.343 -10.761 -11.519
  230   2HG2  ILE  33          2HG2      ILE  33   3.750  -9.768 -11.904
  231   3HG2  ILE  33          3HG2      ILE  33   2.229  -9.003 -11.439
  232   1HD1  ILE  33          1HD1      ILE  33   0.235  -8.776  -8.722
  233   2HD1  ILE  33          2HD1      ILE  33   0.743  -9.060 -10.387
  234   3HD1  ILE  33          3HD1      ILE  33   1.576  -7.855  -9.403
  235    HA   PRO  34           HA       PRO  34   6.908 -10.594 -12.549
  236   1HB   PRO  34          1HB       PRO  34   9.244  -9.691 -11.447
  237   2HB   PRO  34          2HB       PRO  34   7.900  -8.625 -11.898
  238   1HG   PRO  34          1HG       PRO  34   8.701  -9.632  -9.225
  239   2HG   PRO  34          2HG       PRO  34   8.030  -8.062  -9.687
  240   1HD   PRO  34          1HD       PRO  34   6.594 -10.078  -8.515
  241   2HD   PRO  34          2HD       PRO  34   5.878  -8.793  -9.509
  242    H    THR  35           H        THR  35   8.305 -11.807  -9.460
  243    HA   THR  35           HA       THR  35   9.986 -13.727 -10.938
  244    HB   THR  35           HB       THR  35  10.820 -14.245  -8.706
  245    HG1  THR  35           HG1      THR  35   9.656 -13.896  -6.986
  246   1HG2  THR  35          1HG2      THR  35  10.251 -11.285  -8.669
  247   2HG2  THR  35          2HG2      THR  35  11.334 -11.995  -9.868
  248   3HG2  THR  35          3HG2      THR  35  11.708 -12.133  -8.150
  249    H    GLY  36           H        GLY  36   7.411 -14.018  -8.447
  250   1HA   GLY  36          1HA       GLY  36   5.536 -15.615  -9.068
  251   2HA   GLY  36          2HA       GLY  36   6.812 -16.722  -9.577
  252    H    THR  37           H        THR  37   8.278 -15.396  -7.086
  253    HA   THR  37           HA       THR  37   7.525 -17.570  -5.243
  254    HB   THR  37           HB       THR  37   9.561 -15.327  -5.120
  255    HG1  THR  37           HG1      THR  37   9.696 -17.063  -6.768
  256   1HG2  THR  37          1HG2      THR  37  10.615 -16.740  -3.359
  257   2HG2  THR  37          2HG2      THR  37   9.200 -17.793  -3.406
  258   3HG2  THR  37          3HG2      THR  37   9.035 -16.116  -2.885
  259    H    THR  38           H        THR  38   7.299 -16.918  -2.858
  260    HA   THR  38           HA       THR  38   5.620 -14.440  -2.620
  261    HB   THR  38           HB       THR  38   4.734 -16.079  -0.642
  262    HG1  THR  38           HG1      THR  38   4.601 -18.167  -1.796
  263   1HG2  THR  38          1HG2      THR  38   3.902 -15.310  -3.304
  264   2HG2  THR  38          2HG2      THR  38   2.914 -15.591  -1.871
  265   3HG2  THR  38          3HG2      THR  38   3.335 -16.937  -2.929
  266    H    GLN  39           H        GLN  39   5.537 -13.704  -0.230
  267    HA   GLN  39           HA       GLN  39   7.861 -14.432   1.426
  268   1HB   GLN  39          1HB       GLN  39   7.574 -11.819  -0.071
  269   2HB   GLN  39          2HB       GLN  39   8.605 -11.968   1.353
  270   1HG   GLN  39          1HG       GLN  39   9.651 -14.000   0.151
  271   2HG   GLN  39          2HG       GLN  39   8.865 -13.378  -1.301
  272   1HE2  GLN  39          1HE2      GLN  39  11.791 -13.486  -0.787
  273   2HE2  GLN  39          2HE2      GLN  39  12.341 -11.882  -0.852
  274    H    TRP  40           H        TRP  40   7.891 -12.612   3.324
  275    HA   TRP  40           HA       TRP  40   5.058 -11.938   4.027
  276   1HB   TRP  40          1HB       TRP  40   7.144 -13.355   5.716
  277   2HB   TRP  40          2HB       TRP  40   5.556 -12.849   6.296
  278    HD1  TRP  40           HD1      TRP  40   7.207 -15.271   3.821
  279    HE1  TRP  40           HE1      TRP  40   5.528 -17.150   3.268
  280    HE3  TRP  40           HE3      TRP  40   3.078 -13.511   6.257
  281    HZ2  TRP  40           HZ2      TRP  40   2.796 -17.815   3.788
  282    HZ3  TRP  40           HZ3      TRP  40   0.953 -14.785   6.212
  283    HH2  TRP  40           HH2      TRP  40   0.807 -16.933   4.982
  284    H    GLU  41           H        GLU  41   8.101 -10.778   3.527
  285    HA   GLU  41           HA       GLU  41   7.817  -8.654   5.629
  286   1HB   GLU  41          1HB       GLU  41  10.318  -9.641   4.220
  287   2HB   GLU  41          2HB       GLU  41  10.247  -8.551   5.604
  288   1HG   GLU  41          1HG       GLU  41   8.924 -10.528   6.731
  289   2HG   GLU  41          2HG       GLU  41   9.722 -11.504   5.496
  290    HA   PRO  42           HA       PRO  42   7.585  -5.727   2.364
  291   1HB   PRO  42          1HB       PRO  42   8.881  -3.583   3.463
  292   2HB   PRO  42          2HB       PRO  42   7.266  -4.105   3.981
  293   1HG   PRO  42          1HG       PRO  42   9.909  -4.577   5.261
  294   2HG   PRO  42          2HG       PRO  42   8.338  -4.239   6.005
  295   1HD   PRO  42          1HD       PRO  42   9.448  -6.733   5.866
  296   2HD   PRO  42          2HD       PRO  42   7.698  -6.433   5.954
  297    HA   PRO  43           HA       PRO  43  11.629  -6.581   0.550
  298   1HB   PRO  43          1HB       PRO  43  10.787  -6.278  -2.038
  299   2HB   PRO  43          2HB       PRO  43  10.534  -7.769  -1.107
  300   1HG   PRO  43          1HG       PRO  43   8.631  -5.555  -1.691
  301   2HG   PRO  43          2HG       PRO  43   8.348  -7.302  -1.638
  302   1HD   PRO  43          1HD       PRO  43   7.653  -5.610   0.381
  303   2HD   PRO  43          2HD       PRO  43   8.068  -7.321   0.635
  304    H    GLY  44           H        GLY  44  12.644  -5.243  -1.528
  305   1HA   GLY  44          1HA       GLY  44  11.926  -2.397  -1.468
  306   2HA   GLY  44          2HA       GLY  44  13.482  -2.773  -0.727
  307    H    ARG  45           H        ARG  45  15.027  -2.186  -2.185
  308    HA   ARG  45           HA       ARG  45  14.625  -2.229  -5.052
  309   1HB   ARG  45          1HB       ARG  45  17.056  -1.649  -5.015
  310   2HB   ARG  45          2HB       ARG  45  16.115  -0.665  -3.892
  311   1HG   ARG  45          1HG       ARG  45  16.821  -2.930  -2.410
  312   2HG   ARG  45          2HG       ARG  45  18.273  -2.536  -3.331
  313   1HD   ARG  45          1HD       ARG  45  17.248  -0.059  -2.413
  314   2HD   ARG  45          2HD       ARG  45  17.196  -1.169  -1.029
  315    HE   ARG  45           HE       ARG  45  19.549  -1.080  -1.025
  316   1HH1  ARG  45          1HH1      ARG  45  19.394   1.262  -2.996
  317   2HH1  ARG  45          2HH1      ARG  45  20.453   0.704  -4.248
  318   1HH2  ARG  45          1HH2      ARG  45  20.448  -2.585  -3.154
  319   2HH2  ARG  45          2HH2      ARG  45  21.050  -1.472  -4.337
  320    H    ALA  46           H        ALA  46  16.402  -3.449  -6.413
  321    HA   ALA  46           HA       ALA  46  16.910  -6.181  -5.312
  322   1HB   ALA  46          1HB       ALA  46  14.896  -6.509  -6.484
  323   2HB   ALA  46          2HB       ALA  46  16.111  -6.916  -7.696
  324   3HB   ALA  46          3HB       ALA  46  15.324  -5.338  -7.732
  325    H    SER  47           H        SER  47  19.143  -6.220  -5.430
  326    HA   SER  47           HA       SER  47  20.463  -5.097  -7.867
  327   1HB   SER  47          1HB       SER  47  21.403  -4.142  -5.948
  328   2HB   SER  47          2HB       SER  47  21.224  -5.622  -5.007
  329    HG   SER  47           HG       SER  47  23.001  -5.223  -7.192
  330    HA   PRO  48           HA       PRO  48  20.863  -9.469  -8.879
  331   1HB   PRO  48          1HB       PRO  48  21.696  -9.037 -11.451
  332   2HB   PRO  48          2HB       PRO  48  19.991  -8.974 -10.964
  333   1HG   PRO  48          1HG       PRO  48  21.905  -6.747 -11.448
  334   2HG   PRO  48          2HG       PRO  48  20.183  -6.863 -11.845
  335   1HD   PRO  48          1HD       PRO  48  21.145  -5.470  -9.706
  336   2HD   PRO  48          2HD       PRO  48  19.522  -6.193  -9.760
  337    H    SER  49           H        SER  49  22.693 -10.414  -8.044
  338    HA   SER  49           HA       SER  49  25.288 -10.037  -9.286
  339   1HB   SER  49          1HB       SER  49  26.319  -8.669  -7.699
  340   2HB   SER  49          2HB       SER  49  24.693  -7.993  -7.707
  341    HG   SER  49           HG       SER  49  25.650  -8.553  -5.595
  342    H    GLN  50           H        GLN  50  27.014 -11.225  -7.866
  343    HA   GLN  50           HA       GLN  50  27.653 -13.275  -6.875
  344   1HB   GLN  50          1HB       GLN  50  25.711 -11.871  -5.249
  345   2HB   GLN  50          2HB       GLN  50  25.547 -13.613  -5.019
  346   1HG   GLN  50          1HG       GLN  50  28.342 -12.749  -5.102
  347   2HG   GLN  50          2HG       GLN  50  27.437 -11.996  -3.788
  348   1HE2  GLN  50          1HE2      GLN  50  29.013 -14.890  -4.762
  349   2HE2  GLN  50          2HE2      GLN  50  28.454 -15.886  -3.506
  Start of MODEL   10
    1    H    ASP   1           H        ASP   1 -17.092  12.423  -5.665
    2    HA   ASP   1           HA       ASP   1 -15.535  12.277  -3.707
    3   1HB   ASP   1          1HB       ASP   1 -17.080   9.767  -3.631
    4   2HB   ASP   1          2HB       ASP   1 -15.342   9.541  -3.433
    5    H    SER   2           H        SER   2 -16.316  10.847  -6.726
    6    HA   SER   2           HA       SER   2 -13.741  11.230  -7.870
    7   1HB   SER   2          1HB       SER   2 -13.454   8.522  -7.925
    8   2HB   SER   2          2HB       SER   2 -12.699   9.553  -6.712
    9    HG   SER   2           HG       SER   2 -13.801   8.163  -5.496
   10    H    PHE   3           H        PHE   3 -13.578   9.354  -9.820
   11    HA   PHE   3           HA       PHE   3 -16.202   9.615 -11.221
   12   1HB   PHE   3          1HB       PHE   3 -13.304   9.396 -11.991
   13   2HB   PHE   3          2HB       PHE   3 -14.542   8.951 -13.167
   14    HD1  PHE   3           HD1      PHE   3 -12.581  11.604 -12.029
   15    HD2  PHE   3           HD2      PHE   3 -16.609  10.705 -13.219
   16    HE1  PHE   3           HE1      PHE   3 -12.969  14.002 -12.529
   17    HE2  PHE   3           HE2      PHE   3 -16.997  13.102 -13.720
   18    HZ   PHE   3           HZ       PHE   3 -15.178  14.752 -13.373
   19    H    TRP   4           H        TRP   4 -16.347   7.591  -9.403
   20    HA   TRP   4           HA       TRP   4 -16.857   5.286  -9.258
   21   1HB   TRP   4          1HB       TRP   4 -17.481   6.186 -11.798
   22   2HB   TRP   4          2HB       TRP   4 -16.444   4.799 -12.128
   23    HD1  TRP   4           HD1      TRP   4 -19.715   5.748 -10.374
   24    HE1  TRP   4           HE1      TRP   4 -21.126   3.615 -10.054
   25    HE3  TRP   4           HE3      TRP   4 -16.367   2.229 -11.953
   26    HZ2  TRP   4           HZ2      TRP   4 -20.869   0.788 -10.419
   27    HZ3  TRP   4           HZ3      TRP   4 -16.976  -0.173 -11.957
   28    HH2  TRP   4           HH2      TRP   4 -19.220  -0.898 -11.193
   29    H    ASN   5           H        ASN   5 -14.808   4.856  -8.170
   30    HA   ASN   5           HA       ASN   5 -12.266   4.512  -9.220
   31   1HB   ASN   5          1HB       ASN   5 -13.896   3.364  -7.035
   32   2HB   ASN   5          2HB       ASN   5 -12.484   2.406  -7.481
   33   1HD2  ASN   5          1HD2      ASN   5 -12.778   3.919  -4.973
   34   2HD2  ASN   5          2HD2      ASN   5 -11.549   5.090  -4.963
   35    HA   PRO   6           HA       PRO   6 -12.402   1.132 -12.017
   36   1HB   PRO   6          1HB       PRO   6  -9.992  -0.077 -11.543
   37   2HB   PRO   6          2HB       PRO   6 -10.144   1.478 -12.386
   38   1HG   PRO   6          1HG       PRO   6  -9.395   0.924  -9.561
   39   2HG   PRO   6          2HG       PRO   6  -8.765   2.144 -10.678
   40   1HD   PRO   6          1HD       PRO   6 -10.573   2.688  -8.702
   41   2HD   PRO   6          2HD       PRO   6 -10.439   3.628 -10.205
   42    H    ASN   7           H        ASN   7 -11.798   0.480  -8.622
   43    HA   ASN   7           HA       ASN   7 -13.434  -1.957  -8.752
   44   1HB   ASN   7          1HB       ASN   7 -11.131  -2.611  -9.521
   45   2HB   ASN   7          2HB       ASN   7 -10.508  -2.092  -7.955
   46   1HD2  ASN   7          1HD2      ASN   7 -13.291  -4.113  -9.087
   47   2HD2  ASN   7          2HD2      ASN   7 -13.019  -5.362  -7.970
   48    H    ALA   8           H        ALA   8 -11.211   0.067  -6.835
   49    HA   ALA   8           HA       ALA   8 -13.044   0.584  -4.730
   50   1HB   ALA   8          1HB       ALA   8 -11.370  -1.915  -4.524
   51   2HB   ALA   8          2HB       ALA   8 -13.089  -1.713  -4.189
   52   3HB   ALA   8          3HB       ALA   8 -11.891  -1.067  -3.068
   53    H    PHE   9           H        PHE   9 -11.374   0.656  -2.505
   54    HA   PHE   9           HA       PHE   9  -9.682   2.916  -3.060
   55   1HB   PHE   9          1HB       PHE   9 -10.209   1.049  -0.759
   56   2HB   PHE   9          2HB       PHE   9  -8.910   2.237  -0.638
   57    HD1  PHE   9           HD1      PHE   9 -12.539   1.923  -1.496
   58    HD2  PHE   9           HD2      PHE   9  -9.391   4.460  -0.046
   59    HE1  PHE   9           HE1      PHE   9 -14.200   3.690  -0.982
   60    HE2  PHE   9           HE2      PHE   9 -11.053   6.228   0.468
   61    HZ   PHE   9           HZ       PHE   9 -13.457   5.842   0.001
   62    H    GLU  10           H        GLU  10  -7.474   2.995  -3.448
   63    HA   GLU  10           HA       GLU  10  -6.012   1.040  -4.708
   64   1HB   GLU  10          1HB       GLU  10  -5.389   3.348  -2.928
   65   2HB   GLU  10          2HB       GLU  10  -4.055   2.257  -3.305
   66   1HG   GLU  10          1HG       GLU  10  -3.946   3.797  -5.068
   67   2HG   GLU  10          2HG       GLU  10  -4.899   2.490  -5.771
   68    H    THR  11           H        THR  11  -4.670  -0.702  -4.079
   69    HA   THR  11           HA       THR  11  -5.245  -1.831  -1.395
   70    HB   THR  11           HB       THR  11  -3.560  -3.199  -3.445
   71    HG1  THR  11           HG1      THR  11  -6.269  -2.466  -3.764
   72   1HG2  THR  11          1HG2      THR  11  -6.036  -4.344  -2.254
   73   2HG2  THR  11          2HG2      THR  11  -4.697  -4.016  -1.154
   74   3HG2  THR  11          3HG2      THR  11  -4.466  -5.099  -2.526
   75    H    ASP  12           H        ASP  12  -2.933  -3.378  -1.077
   76    HA   ASP  12           HA       ASP  12  -0.957  -3.116   0.206
   77   1HB   ASP  12          1HB       ASP  12  -0.081  -1.678  -2.283
   78   2HB   ASP  12          2HB       ASP  12   0.754  -2.921  -1.362
   79    H    SER  13           H        SER  13   1.039  -1.049  -0.274
   80    HA   SER  13           HA       SER  13  -0.313   1.441   0.644
   81   1HB   SER  13          1HB       SER  13   1.040  -0.471   2.267
   82   2HB   SER  13          2HB       SER  13   2.020   0.990   2.216
   83    HG   SER  13           HG       SER  13   0.472   1.128   3.862
   84    H    ASP  14           H        ASP  14   2.917   0.013   0.123
   85    HA   ASP  14           HA       ASP  14   3.565   1.982  -1.943
   86   1HB   ASP  14          1HB       ASP  14   5.189   3.211  -0.661
   87   2HB   ASP  14          2HB       ASP  14   3.722   3.159   0.316
   88    H    LEU  15           H        LEU  15   3.598  -0.831  -1.999
   89    HA   LEU  15           HA       LEU  15   6.225  -1.918  -1.414
   90   1HB   LEU  15          1HB       LEU  15   3.775  -2.729  -2.972
   91   2HB   LEU  15          2HB       LEU  15   5.239  -3.707  -3.061
   92    HG   LEU  15           HG       LEU  15   3.849  -4.599  -1.290
   93   1HD1  LEU  15          1HD1      LEU  15   5.447  -4.652   0.426
   94   2HD1  LEU  15          2HD1      LEU  15   5.896  -2.963   0.190
   95   3HD1  LEU  15          3HD1      LEU  15   6.413  -4.183  -0.974
   96   1HD2  LEU  15          1HD2      LEU  15   2.573  -2.438  -0.963
   97   2HD2  LEU  15          2HD2      LEU  15   3.940  -1.849  -0.018
   98   3HD2  LEU  15          3HD2      LEU  15   3.024  -3.251   0.535
   99    HA   PRO  16           HA       PRO  16   8.466  -0.807  -5.015
  100   1HB   PRO  16          1HB       PRO  16   9.692  -3.147  -5.739
  101   2HB   PRO  16          2HB       PRO  16  10.176  -2.199  -4.318
  102   1HG   PRO  16          1HG       PRO  16   8.468  -4.636  -4.474
  103   2HG   PRO  16          2HG       PRO  16   9.713  -4.207  -3.291
  104   1HD   PRO  16          1HD       PRO  16   7.061  -3.947  -2.791
  105   2HD   PRO  16          2HD       PRO  16   8.287  -2.879  -2.073
  106    H    ALA  17           H        ALA  17   9.046  -2.299  -7.329
  107    HA   ALA  17           HA       ALA  17   6.363  -2.380  -8.602
  108   1HB   ALA  17          1HB       ALA  17   8.997  -1.532  -9.275
  109   2HB   ALA  17          2HB       ALA  17   7.542  -1.415 -10.266
  110   3HB   ALA  17          3HB       ALA  17   8.574  -2.840 -10.381
  111    H    GLY  18           H        GLY  18   5.387  -4.325  -8.958
  112   1HA   GLY  18          1HA       GLY  18   5.348  -6.560  -9.872
  113   2HA   GLY  18          2HA       GLY  18   7.074  -6.697  -9.544
  114    H    TRP  19           H        TRP  19   5.496  -5.300  -6.905
  115    HA   TRP  19           HA       TRP  19   5.316  -7.975  -5.562
  116   1HB   TRP  19          1HB       TRP  19   6.486  -5.319  -4.809
  117   2HB   TRP  19          2HB       TRP  19   5.868  -6.366  -3.533
  118    HD1  TRP  19           HD1      TRP  19   8.769  -5.908  -5.835
  119    HE1  TRP  19           HE1      TRP  19  10.463  -7.824  -5.513
  120    HE3  TRP  19           HE3      TRP  19   5.990  -9.067  -2.941
  121    HZ2  TRP  19           HZ2      TRP  19  10.619 -10.361  -4.203
  122    HZ3  TRP  19           HZ3      TRP  19   6.935 -11.225  -2.172
  123    HH2  TRP  19           HH2      TRP  19   9.243 -11.876  -2.798
  124    H    MET  20           H        MET  20   3.410  -8.378  -4.468
  125    HA   MET  20           HA       MET  20   1.417  -6.142  -4.299
  126   1HB   MET  20          1HB       MET  20   0.961  -9.119  -4.667
  127   2HB   MET  20          2HB       MET  20  -0.258  -7.852  -4.775
  128   1HG   MET  20          1HG       MET  20   2.105  -8.257  -6.626
  129   2HG   MET  20          2HG       MET  20   0.399  -8.459  -7.026
  130   1HE   MET  20          1HE       MET  20  -0.167  -5.799  -8.916
  131   2HE   MET  20          2HE       MET  20  -1.269  -5.764  -7.542
  132   3HE   MET  20          3HE       MET  20  -0.660  -7.307  -8.135
  133    H    ARG  21           H        ARG  21  -0.251  -6.569  -2.543
  134    HA   ARG  21           HA       ARG  21   1.017  -7.905  -0.172
  135   1HB   ARG  21          1HB       ARG  21   0.880  -5.356  -0.255
  136   2HB   ARG  21          2HB       ARG  21  -0.873  -5.537  -0.178
  137   1HG   ARG  21          1HG       ARG  21  -0.446  -7.001   1.904
  138   2HG   ARG  21          2HG       ARG  21   1.181  -6.318   1.891
  139   1HD   ARG  21          1HD       ARG  21   0.238  -4.036   2.010
  140   2HD   ARG  21          2HD       ARG  21  -1.401  -4.716   2.019
  141    HE   ARG  21           HE       ARG  21   0.502  -5.681   4.086
  142   1HH1  ARG  21          1HH1      ARG  21  -1.866  -3.345   3.282
  143   2HH1  ARG  21          2HH1      ARG  21  -2.652  -3.399   4.824
  144   1HH2  ARG  21          1HH2      ARG  21  -0.675  -5.977   6.039
  145   2HH2  ARG  21          2HH2      ARG  21  -1.979  -4.889   6.385
  146    H    VAL  22           H        VAL  22  -0.145  -9.782   0.169
  147    HA   VAL  22           HA       VAL  22  -3.114  -9.685  -0.242
  148    HB   VAL  22           HB       VAL  22  -1.301 -12.099  -0.106
  149   1HG1  VAL  22          1HG1      VAL  22  -3.769 -12.415   0.157
  150   2HG1  VAL  22          2HG1      VAL  22  -3.122 -13.199  -1.284
  151   3HG1  VAL  22          3HG1      VAL  22  -3.994 -11.672  -1.427
  152   1HG2  VAL  22          1HG2      VAL  22  -1.135 -12.021  -2.527
  153   2HG2  VAL  22          2HG2      VAL  22  -0.584 -10.471  -1.892
  154   3HG2  VAL  22          3HG2      VAL  22  -2.195 -10.613  -2.594
  155    H    GLN  23           H        GLN  23  -4.377 -11.002   1.307
  156    HA   GLN  23           HA       GLN  23  -3.086 -11.130   4.013
  157   1HB   GLN  23          1HB       GLN  23  -5.086  -9.464   3.162
  158   2HB   GLN  23          2HB       GLN  23  -6.020 -10.816   3.804
  159   1HG   GLN  23          1HG       GLN  23  -5.440 -10.350   5.948
  160   2HG   GLN  23          2HG       GLN  23  -3.763 -10.017   5.514
  161   1HE2  GLN  23          1HE2      GLN  23  -5.807  -8.421   7.187
  162   2HE2  GLN  23          2HE2      GLN  23  -5.768  -6.869   6.503
  163    H    ASP  24           H        ASP  24  -2.614 -13.401   3.857
  164    HA   ASP  24           HA       ASP  24  -4.815 -15.271   3.218
  165   1HB   ASP  24          1HB       ASP  24  -2.070 -15.213   2.873
  166   2HB   ASP  24          2HB       ASP  24  -2.288 -16.337   4.209
  167    H    THR  25           H        THR  25  -5.033 -17.199   4.789
  168    HA   THR  25           HA       THR  25  -5.922 -16.305   7.345
  169    HB   THR  25           HB       THR  25  -6.520 -18.391   5.983
  170    HG1  THR  25           HG1      THR  25  -6.991 -17.951   8.288
  171   1HG2  THR  25          1HG2      THR  25  -4.259 -19.708   7.455
  172   2HG2  THR  25          2HG2      THR  25  -3.965 -18.970   5.881
  173   3HG2  THR  25          3HG2      THR  25  -5.142 -20.275   6.038
  174    H    SER  26           H        SER  26  -2.795 -17.539   6.261
  175    HA   SER  26           HA       SER  26  -1.716 -17.950   8.935
  176   1HB   SER  26          1HB       SER  26  -0.888 -18.110   6.108
  177   2HB   SER  26          2HB       SER  26   0.412 -17.672   7.213
  178    HG   SER  26           HG       SER  26  -0.708 -20.056   6.807
  179    H    GLY  27           H        GLY  27  -2.050 -15.229   6.778
  180   1HA   GLY  27          1HA       GLY  27  -1.719 -13.127   8.411
  181   2HA   GLY  27          2HA       GLY  27  -0.038 -13.636   8.246
  182    H    THR  28           H        THR  28  -0.551 -11.154   7.334
  183    HA   THR  28           HA       THR  28  -1.285 -11.176   4.488
  184    HB   THR  28           HB       THR  28   0.052  -8.926   5.980
  185    HG1  THR  28           HG1      THR  28  -2.273  -8.496   6.576
  186   1HG2  THR  28          1HG2      THR  28  -1.296  -7.547   4.582
  187   2HG2  THR  28          2HG2      THR  28  -2.335  -8.899   4.129
  188   3HG2  THR  28          3HG2      THR  28  -0.677  -8.822   3.532
  189    H    TYR  29           H        TYR  29   0.195 -11.849   2.981
  190    HA   TYR  29           HA       TYR  29   3.103 -11.394   3.564
  191   1HB   TYR  29          1HB       TYR  29   3.464 -13.355   2.143
  192   2HB   TYR  29          2HB       TYR  29   2.288 -13.748   3.394
  193    HD1  TYR  29           HD1      TYR  29   2.790 -13.087  -0.192
  194    HD2  TYR  29           HD2      TYR  29  -0.083 -14.040   2.857
  195    HE1  TYR  29           HE1      TYR  29   1.139 -13.700  -1.940
  196    HE2  TYR  29           HE2      TYR  29  -1.733 -14.651   1.110
  197    HH   TYR  29           HH       TYR  29  -1.364 -13.838  -2.134
  198    H    TYR  30           H        TYR  30   3.971 -11.907   0.912
  199    HA   TYR  30           HA       TYR  30   2.728  -9.667  -0.644
  200   1HB   TYR  30          1HB       TYR  30   5.666 -10.272  -0.170
  201   2HB   TYR  30          2HB       TYR  30   5.054  -8.984  -1.207
  202    HD1  TYR  30           HD1      TYR  30   3.804  -7.069  -0.234
  203    HD2  TYR  30           HD2      TYR  30   5.623 -10.076   2.234
  204    HE1  TYR  30           HE1      TYR  30   3.595  -5.578   1.737
  205    HE2  TYR  30           HE2      TYR  30   5.415  -8.586   4.204
  206    HH   TYR  30           HH       TYR  30   5.232  -5.755   4.356
  207    H    TRP  31           H        TRP  31   2.169 -10.364  -2.667
  208    HA   TRP  31           HA       TRP  31   3.212 -12.961  -3.647
  209   1HB   TRP  31          1HB       TRP  31   0.851 -12.649  -3.755
  210   2HB   TRP  31          2HB       TRP  31   1.020 -11.037  -4.447
  211    HD1  TRP  31           HD1      TRP  31   3.223 -13.807  -5.776
  212    HE1  TRP  31           HE1      TRP  31   2.505 -14.387  -8.183
  213    HE3  TRP  31           HE3      TRP  31  -1.092 -11.094  -6.088
  214    HZ2  TRP  31           HZ2      TRP  31   0.383 -13.780 -10.001
  215    HZ3  TRP  31           HZ3      TRP  31  -2.441 -11.112  -8.168
  216    HH2  TRP  31           HH2      TRP  31  -1.710 -12.452 -10.123
  217    H    HIS  32           H        HIS  32   4.822 -13.051  -5.153
  218    HA   HIS  32           HA       HIS  32   5.831 -10.548  -6.348
  219   1HB   HIS  32          1HB       HIS  32   7.107 -12.543  -5.236
  220   2HB   HIS  32          2HB       HIS  32   6.892 -13.337  -6.792
  221    HD1  HIS  32           HD1      HIS  32   7.398  -9.622  -6.633
  222    HD2  HIS  32           HD2      HIS  32   9.664 -13.027  -7.431
  223    HE1  HIS  32           HE1      HIS  32   9.582  -8.811  -7.620
  224    H    ILE  33           H        ILE  33   4.745  -9.909  -8.152
  225    HA   ILE  33           HA       ILE  33   3.217 -11.599  -9.882
  226    HB   ILE  33           HB       ILE  33   4.390  -8.844 -10.342
  227   1HG1  ILE  33          1HG1      ILE  33   1.900  -9.782  -8.882
  228   2HG1  ILE  33          2HG1      ILE  33   3.230  -8.826  -8.229
  229   1HG2  ILE  33          1HG2      ILE  33   2.823 -10.530 -11.986
  230   2HG2  ILE  33          2HG2      ILE  33   3.174  -8.820 -12.237
  231   3HG2  ILE  33          3HG2      ILE  33   1.725  -9.303 -11.354
  232   1HD1  ILE  33          1HD1      ILE  33   2.226  -6.928  -8.892
  233   2HD1  ILE  33          2HD1      ILE  33   0.860  -7.876  -9.478
  234   3HD1  ILE  33          3HD1      ILE  33   2.202  -7.502 -10.560
  235    HA   PRO  34           HA       PRO  34   6.899 -11.101 -12.923
  236   1HB   PRO  34          1HB       PRO  34   9.395 -10.838 -11.830
  237   2HB   PRO  34          2HB       PRO  34   8.376  -9.458 -12.286
  238   1HG   PRO  34          1HG       PRO  34   8.883 -10.633  -9.606
  239   2HG   PRO  34          2HG       PRO  34   8.664  -8.941 -10.077
  240   1HD   PRO  34          1HD       PRO  34   6.733 -10.471  -8.892
  241   2HD   PRO  34          2HD       PRO  34   6.389  -9.062  -9.919
  242    H    THR  35           H        THR  35   7.630 -12.697  -9.818
  243    HA   THR  35           HA       THR  35   8.525 -15.097 -11.380
  244    HB   THR  35           HB       THR  35   9.196 -14.924  -8.535
  245    HG1  THR  35           HG1      THR  35  10.429 -13.111 -10.314
  246   1HG2  THR  35          1HG2      THR  35  10.184 -16.070 -10.931
  247   2HG2  THR  35          2HG2      THR  35  10.821 -16.269  -9.299
  248   3HG2  THR  35          3HG2      THR  35  11.431 -14.976 -10.332
  249    H    GLY  36           H        GLY  36   6.745 -14.046  -8.480
  250   1HA   GLY  36          1HA       GLY  36   4.513 -15.064  -8.073
  251   2HA   GLY  36          2HA       GLY  36   5.180 -16.589  -8.656
  252    H    THR  37           H        THR  37   7.630 -15.273  -6.934
  253    HA   THR  37           HA       THR  37   7.391 -17.118  -4.743
  254    HB   THR  37           HB       THR  37   9.065 -14.653  -4.561
  255    HG1  THR  37           HG1      THR  37  10.333 -15.274  -6.235
  256   1HG2  THR  37          1HG2      THR  37   9.801 -16.115  -2.976
  257   2HG2  THR  37          2HG2      THR  37  10.712 -16.784  -4.329
  258   3HG2  THR  37          3HG2      THR  37   9.187 -17.523  -3.842
  259    H    THR  38           H        THR  38   6.957 -16.650  -2.515
  260    HA   THR  38           HA       THR  38   5.384 -14.132  -2.064
  261    HB   THR  38           HB       THR  38   4.647 -15.967  -0.123
  262    HG1  THR  38           HG1      THR  38   5.021 -17.881  -0.853
  263   1HG2  THR  38          1HG2      THR  38   3.020 -16.341  -2.457
  264   2HG2  THR  38          2HG2      THR  38   3.523 -14.653  -2.374
  265   3HG2  THR  38          3HG2      THR  38   2.670 -15.386  -1.016
  266    H    GLN  39           H        GLN  39   5.406 -13.534   0.382
  267    HA   GLN  39           HA       GLN  39   7.901 -14.329   1.786
  268   1HB   GLN  39          1HB       GLN  39   7.197 -11.497   0.941
  269   2HB   GLN  39          2HB       GLN  39   8.573 -11.939   1.952
  270   1HG   GLN  39          1HG       GLN  39   9.166 -13.558  -0.022
  271   2HG   GLN  39          2HG       GLN  39   8.120 -12.496  -0.966
  272   1HE2  GLN  39          1HE2      GLN  39  11.226 -12.886  -0.779
  273   2HE2  GLN  39          2HE2      GLN  39  11.802 -11.295  -0.647
  274    H    TRP  40           H        TRP  40   7.636 -11.942   3.536
  275    HA   TRP  40           HA       TRP  40   4.964 -12.311   4.789
  276   1HB   TRP  40          1HB       TRP  40   7.661 -12.914   6.039
  277   2HB   TRP  40          2HB       TRP  40   6.173 -12.762   6.973
  278    HD1  TRP  40           HD1      TRP  40   8.135 -15.177   4.943
  279    HE1  TRP  40           HE1      TRP  40   6.817 -17.374   4.650
  280    HE3  TRP  40           HE3      TRP  40   3.554 -13.694   6.645
  281    HZ2  TRP  40           HZ2      TRP  40   4.172 -18.371   5.082
  282    HZ3  TRP  40           HZ3      TRP  40   1.656 -15.286   6.694
  283    HH2  TRP  40           HH2      TRP  40   1.958 -17.621   5.915
  284    H    GLU  41           H        GLU  41   8.115 -10.661   4.795
  285    HA   GLU  41           HA       GLU  41   6.912  -8.342   6.235
  286   1HB   GLU  41          1HB       GLU  41   9.720  -9.254   5.555
  287   2HB   GLU  41          2HB       GLU  41   9.388  -7.679   6.276
  288   1HG   GLU  41          1HG       GLU  41   7.918  -9.544   7.799
  289   2HG   GLU  41          2HG       GLU  41   9.509 -10.265   7.558
  290    HA   PRO  42           HA       PRO  42   6.816  -5.846   2.626
  291   1HB   PRO  42          1HB       PRO  42   7.722  -3.431   3.540
  292   2HB   PRO  42          2HB       PRO  42   6.125  -4.084   3.954
  293   1HG   PRO  42          1HG       PRO  42   8.632  -4.057   5.557
  294   2HG   PRO  42          2HG       PRO  42   6.956  -3.820   6.077
  295   1HD   PRO  42          1HD       PRO  42   8.326  -6.156   6.417
  296   2HD   PRO  42          2HD       PRO  42   6.557  -6.065   6.259
  297    HA   PRO  43           HA       PRO  43  11.062  -6.309   1.253
  298   1HB   PRO  43          1HB       PRO  43  10.502  -6.109  -1.418
  299   2HB   PRO  43          2HB       PRO  43  10.238  -7.594  -0.486
  300   1HG   PRO  43          1HG       PRO  43   8.280  -5.536  -1.360
  301   2HG   PRO  43          2HG       PRO  43   8.101  -7.294  -1.254
  302   1HD   PRO  43          1HD       PRO  43   7.098  -5.538   0.594
  303   2HD   PRO  43          2HD       PRO  43   7.517  -7.228   0.952
  304    H    GLY  44           H        GLY  44  12.625  -4.776   0.605
  305   1HA   GLY  44          1HA       GLY  44  11.642  -2.142  -0.376
  306   2HA   GLY  44          2HA       GLY  44  12.675  -2.190   1.053
  307    H    ARG  45           H        ARG  45  12.934  -1.348  -1.987
  308    HA   ARG  45           HA       ARG  45  15.474  -2.820  -2.558
  309   1HB   ARG  45          1HB       ARG  45  13.261  -2.273  -4.087
  310   2HB   ARG  45          2HB       ARG  45  14.334  -0.948  -4.539
  311   1HG   ARG  45          1HG       ARG  45  15.119  -3.877  -4.557
  312   2HG   ARG  45          2HG       ARG  45  14.637  -2.960  -5.984
  313   1HD   ARG  45          1HD       ARG  45  16.798  -2.306  -6.202
  314   2HD   ARG  45          2HD       ARG  45  16.623  -1.404  -4.683
  315    HE   ARG  45           HE       ARG  45  17.456  -3.347  -3.480
  316   1HH1  ARG  45          1HH1      ARG  45  16.691  -4.304  -6.638
  317   2HH1  ARG  45          2HH1      ARG  45  18.039  -5.377  -6.813
  318   1HH2  ARG  45          1HH2      ARG  45  19.501  -4.455  -3.807
  319   2HH2  ARG  45          2HH2      ARG  45  19.631  -5.462  -5.210
  320    H    ALA  46           H        ALA  46  16.584  -1.451  -0.880
  321    HA   ALA  46           HA       ALA  46  16.766   1.327  -0.777
  322   1HB   ALA  46          1HB       ALA  46  19.053  -0.662  -0.617
  323   2HB   ALA  46          2HB       ALA  46  17.891  -0.377   0.679
  324   3HB   ALA  46          3HB       ALA  46  18.980   0.915   0.171
  325    H    SER  47           H        SER  47  18.731   2.651  -1.601
  326    HA   SER  47           HA       SER  47  19.745   3.651  -3.493
  327   1HB   SER  47          1HB       SER  47  20.685   1.057  -2.993
  328   2HB   SER  47          2HB       SER  47  20.431   1.105  -4.734
  329    HG   SER  47           HG       SER  47  21.776   3.147  -3.301
  330    HA   PRO  48           HA       PRO  48  16.108   2.574  -6.171
  331   1HB   PRO  48          1HB       PRO  48  15.106   5.117  -6.300
  332   2HB   PRO  48          2HB       PRO  48  14.678   3.976  -5.011
  333   1HG   PRO  48          1HG       PRO  48  16.603   6.241  -4.969
  334   2HG   PRO  48          2HG       PRO  48  15.501   5.673  -3.707
  335   1HD   PRO  48          1HD       PRO  48  18.182   5.134  -3.743
  336   2HD   PRO  48          2HD       PRO  48  16.973   4.097  -2.951
  337    H    SER  49           H        SER  49  17.280   2.272  -8.082
  338    HA   SER  49           HA       SER  49  18.283   2.853 -10.143
  339   1HB   SER  49          1HB       SER  49  17.127   5.570  -9.453
  340   2HB   SER  49          2HB       SER  49  17.498   4.961 -11.063
  341    HG   SER  49           HG       SER  49  15.479   4.343 -10.977
  342    H    GLN  50           H        GLN  50  19.719   3.294  -7.496
  343    HA   GLN  50           HA       GLN  50  22.081   4.596  -8.571
  344   1HB   GLN  50          1HB       GLN  50  21.965   6.513  -6.919
  345   2HB   GLN  50          2HB       GLN  50  20.749   6.582  -8.195
  346   1HG   GLN  50          1HG       GLN  50  19.083   6.481  -6.686
  347   2HG   GLN  50          2HG       GLN  50  19.763   5.017  -5.975
  348   1HE2  GLN  50          1HE2      GLN  50  19.457   8.479  -5.588
  349   2HE2  GLN  50          2HE2      GLN  50  20.321   8.591  -4.132
  Start of MODEL   11
    1    H    ASP   1           H        ASP   1   6.876  -5.385  19.751
    2    HA   ASP   1           HA       ASP   1   5.694  -4.476  21.504
    3   1HB   ASP   1          1HB       ASP   1   7.110  -6.711  22.886
    4   2HB   ASP   1          2HB       ASP   1   6.614  -5.341  23.880
    5    H    SER   2           H        SER   2   6.379  -2.400  21.841
    6    HA   SER   2           HA       SER   2   7.831  -0.577  22.242
    7   1HB   SER   2          1HB       SER   2   8.376  -2.746  24.150
    8   2HB   SER   2          2HB       SER   2   9.725  -1.629  23.963
    9    HG   SER   2           HG       SER   2   7.112  -0.633  24.227
   10    H    PHE   3           H        PHE   3   8.483  -2.590  20.053
   11    HA   PHE   3           HA       PHE   3  11.184  -3.212  19.765
   12   1HB   PHE   3          1HB       PHE   3   8.849  -2.757  18.119
   13   2HB   PHE   3          2HB       PHE   3  10.291  -2.166  17.293
   14    HD1  PHE   3           HD1      PHE   3  12.334  -4.032  18.461
   15    HD2  PHE   3           HD2      PHE   3   8.387  -4.766  16.933
   16    HE1  PHE   3           HE1      PHE   3  12.979  -6.363  17.915
   17    HE2  PHE   3           HE2      PHE   3   9.032  -7.097  16.387
   18    HZ   PHE   3           HZ       PHE   3  11.327  -7.896  16.879
   19    H    TRP   4           H        TRP   4   9.622  -0.054  19.188
   20    HA   TRP   4           HA       TRP   4  11.882   1.500  19.928
   21   1HB   TRP   4          1HB       TRP   4  12.153   0.142  17.467
   22   2HB   TRP   4          2HB       TRP   4  11.852   1.828  17.049
   23    HD1  TRP   4           HD1      TRP   4  13.655   0.857  20.267
   24    HE1  TRP   4           HE1      TRP   4  16.090   1.694  20.143
   25    HE3  TRP   4           HE3      TRP   4  13.793   2.455  15.418
   26    HZ2  TRP   4           HZ2      TRP   4  17.862   2.885  18.238
   27    HZ3  TRP   4           HZ3      TRP   4  15.865   3.435  14.476
   28    HH2  TRP   4           HH2      TRP   4  17.897   3.652  15.879
   29    H    ASN   5           H        ASN   5   9.333   1.391  17.412
   30    HA   ASN   5           HA       ASN   5   8.489   4.132  18.301
   31   1HB   ASN   5          1HB       ASN   5   9.548   3.743  15.980
   32   2HB   ASN   5          2HB       ASN   5   8.055   2.895  15.577
   33   1HD2  ASN   5          1HD2      ASN   5   9.010   5.480  14.435
   34   2HD2  ASN   5          2HD2      ASN   5   7.807   6.622  14.798
   35    HA   PRO   6           HA       PRO   6   4.872   1.665  19.335
   36   1HB   PRO   6          1HB       PRO   6   3.633   3.643  20.766
   37   2HB   PRO   6          2HB       PRO   6   4.932   2.636  21.435
   38   1HG   PRO   6          1HG       PRO   6   5.049   5.409  20.365
   39   2HG   PRO   6          2HG       PRO   6   5.892   4.696  21.748
   40   1HD   PRO   6          1HD       PRO   6   7.064   5.123  19.320
   41   2HD   PRO   6          2HD       PRO   6   7.577   3.852  20.452
   42    H    ASN   7           H        ASN   7   5.055   4.805  17.785
   43    HA   ASN   7           HA       ASN   7   2.250   4.549  16.794
   44   1HB   ASN   7          1HB       ASN   7   3.496   6.640  17.881
   45   2HB   ASN   7          2HB       ASN   7   4.052   6.873  16.223
   46   1HD2  ASN   7          1HD2      ASN   7   2.687   8.260  15.100
   47   2HD2  ASN   7          2HD2      ASN   7   1.004   8.353  15.301
   48    H    ALA   8           H        ALA   8   4.158   2.717  15.717
   49    HA   ALA   8           HA       ALA   8   4.183   3.628  12.877
   50   1HB   ALA   8          1HB       ALA   8   6.422   3.913  13.005
   51   2HB   ALA   8          2HB       ALA   8   6.576   2.188  13.337
   52   3HB   ALA   8          3HB       ALA   8   6.434   3.334  14.670
   53    H    PHE   9           H        PHE   9   2.346   1.817  13.982
   54    HA   PHE   9           HA       PHE   9   3.377  -0.895  13.278
   55   1HB   PHE   9          1HB       PHE   9   1.169   0.269  14.935
   56   2HB   PHE   9          2HB       PHE   9   0.954  -1.358  14.288
   57    HD1  PHE   9           HD1      PHE   9   2.870  -3.054  14.668
   58    HD2  PHE   9           HD2      PHE   9   2.468   0.614  16.868
   59    HE1  PHE   9           HE1      PHE   9   4.340  -3.960  16.449
   60    HE2  PHE   9           HE2      PHE   9   3.938  -0.293  18.648
   61    HZ   PHE   9           HZ       PHE   9   4.874  -2.580  18.438
   62    H    GLU  10           H        GLU  10   3.014   0.773  11.056
   63    HA   GLU  10           HA       GLU  10   0.380  -0.081   9.910
   64   1HB   GLU  10          1HB       GLU  10   2.254   2.227   9.571
   65   2HB   GLU  10          2HB       GLU  10   1.278   1.749   8.181
   66   1HG   GLU  10          1HG       GLU  10  -0.659   1.718  10.015
   67   2HG   GLU  10          2HG       GLU  10   0.410   2.875  10.809
   68    H    THR  11           H        THR  11   0.401  -0.996   7.748
   69    HA   THR  11           HA       THR  11   2.712  -2.706   7.216
   70    HB   THR  11           HB       THR  11   0.475  -2.340   5.275
   71    HG1  THR  11           HG1      THR  11   0.171  -3.368   7.900
   72   1HG2  THR  11          1HG2      THR  11   1.146  -4.927   6.571
   73   2HG2  THR  11          2HG2      THR  11   2.403  -4.203   5.569
   74   3HG2  THR  11          3HG2      THR  11   0.823  -4.569   4.875
   75    H    ASP  12           H        ASP  12   3.032  -2.778   4.532
   76    HA   ASP  12           HA       ASP  12   4.634  -0.465   3.940
   77   1HB   ASP  12          1HB       ASP  12   3.505  -2.654   2.162
   78   2HB   ASP  12          2HB       ASP  12   4.866  -1.607   1.760
   79    H    SER  13           H        SER  13   3.681   1.512   3.582
   80    HA   SER  13           HA       SER  13   0.992   1.882   2.616
   81   1HB   SER  13          1HB       SER  13   1.474   4.050   3.155
   82   2HB   SER  13          2HB       SER  13   2.934   3.361   3.861
   83    HG   SER  13           HG       SER  13   3.051   5.151   2.179
   84    H    ASP  14           H        ASP  14   3.797   0.928   0.991
   85    HA   ASP  14           HA       ASP  14   2.550   1.111  -1.616
   86   1HB   ASP  14          1HB       ASP  14   4.040   2.841  -2.536
   87   2HB   ASP  14          2HB       ASP  14   3.135   3.487  -1.168
   88    H    LEU  15           H        LEU  15   3.245  -1.057  -1.849
   89    HA   LEU  15           HA       LEU  15   5.897  -2.006  -1.270
   90   1HB   LEU  15          1HB       LEU  15   3.501  -2.902  -2.847
   91   2HB   LEU  15          2HB       LEU  15   5.002  -3.816  -2.977
   92    HG   LEU  15           HG       LEU  15   3.632  -4.775  -1.201
   93   1HD1  LEU  15          1HD1      LEU  15   5.770  -3.166   0.193
   94   2HD1  LEU  15          2HD1      LEU  15   6.187  -4.437  -0.956
   95   3HD1  LEU  15          3HD1      LEU  15   5.273  -4.829   0.500
   96   1HD2  LEU  15          1HD2      LEU  15   2.437  -2.529  -0.800
   97   2HD2  LEU  15          2HD2      LEU  15   3.804  -2.120   0.235
   98   3HD2  LEU  15          3HD2      LEU  15   2.787  -3.506   0.626
   99    HA   PRO  16           HA       PRO  16   8.192  -0.842  -4.822
  100   1HB   PRO  16          1HB       PRO  16   9.479  -3.147  -5.556
  101   2HB   PRO  16          2HB       PRO  16   9.918  -2.207  -4.115
  102   1HG   PRO  16          1HG       PRO  16   8.274  -4.682  -4.330
  103   2HG   PRO  16          2HG       PRO  16   9.481  -4.231  -3.115
  104   1HD   PRO  16          1HD       PRO  16   6.808  -4.047  -2.682
  105   2HD   PRO  16          2HD       PRO  16   7.989  -2.968  -1.910
  106    H    ALA  17           H        ALA  17   8.836  -2.229  -7.160
  107    HA   ALA  17           HA       ALA  17   6.189  -2.348  -8.484
  108   1HB   ALA  17          1HB       ALA  17   8.000  -0.970  -9.399
  109   2HB   ALA  17          2HB       ALA  17   7.622  -2.276 -10.523
  110   3HB   ALA  17          3HB       ALA  17   9.050  -2.383  -9.493
  111    H    GLY  18           H        GLY  18   5.232  -4.281  -8.943
  112   1HA   GLY  18          1HA       GLY  18   5.193  -6.508  -9.842
  113   2HA   GLY  18          2HA       GLY  18   6.918  -6.647  -9.521
  114    H    TRP  19           H        TRP  19   5.305  -5.304  -6.860
  115    HA   TRP  19           HA       TRP  19   5.163  -8.006  -5.563
  116   1HB   TRP  19          1HB       TRP  19   6.293  -5.349  -4.767
  117   2HB   TRP  19          2HB       TRP  19   5.654  -6.397  -3.501
  118    HD1  TRP  19           HD1      TRP  19   8.590  -5.930  -5.750
  119    HE1  TRP  19           HE1      TRP  19  10.281  -7.848  -5.414
  120    HE3  TRP  19           HE3      TRP  19   5.766  -9.112  -2.923
  121    HZ2  TRP  19           HZ2      TRP  19  10.415 -10.399  -4.120
  122    HZ3  TRP  19           HZ3      TRP  19   6.699 -11.277  -2.156
  123    HH2  TRP  19           HH2      TRP  19   9.017 -11.921  -2.750
  124    H    MET  20           H        MET  20   3.271  -8.446  -4.427
  125    HA   MET  20           HA       MET  20   1.213  -6.261  -4.345
  126   1HB   MET  20          1HB       MET  20   0.832  -9.259  -4.593
  127   2HB   MET  20          2HB       MET  20  -0.403  -8.019  -4.796
  128   1HG   MET  20          1HG       MET  20   2.078  -8.217  -6.522
  129   2HG   MET  20          2HG       MET  20   0.517  -8.907  -6.966
  130   1HE   MET  20          1HE       MET  20  -1.914  -6.564  -7.256
  131   2HE   MET  20          2HE       MET  20  -1.191  -8.124  -7.643
  132   3HE   MET  20          3HE       MET  20  -1.102  -6.805  -8.809
  133    H    ARG  21           H        ARG  21  -0.471  -6.674  -2.607
  134    HA   ARG  21           HA       ARG  21   0.790  -7.864  -0.156
  135   1HB   ARG  21          1HB       ARG  21   0.723  -5.499   0.097
  136   2HB   ARG  21          2HB       ARG  21  -0.869  -5.386  -0.654
  137   1HG   ARG  21          1HG       ARG  21  -1.813  -6.674   1.276
  138   2HG   ARG  21          2HG       ARG  21  -0.227  -6.605   2.046
  139   1HD   ARG  21          1HD       ARG  21  -0.542  -4.454   2.711
  140   2HD   ARG  21          2HD       ARG  21  -1.163  -3.976   1.118
  141    HE   ARG  21           HE       ARG  21  -2.956  -5.658   2.756
  142   1HH1  ARG  21          1HH1      ARG  21  -1.881  -2.460   2.157
  143   2HH1  ARG  21          2HH1      ARG  21  -3.463  -1.759   2.249
  144   1HH2  ARG  21          1HH2      ARG  21  -5.078  -4.801   2.643
  145   2HH2  ARG  21          2HH2      ARG  21  -5.272  -3.085   2.524
  146    H    VAL  22           H        VAL  22  -0.299  -9.786   0.190
  147    HA   VAL  22           HA       VAL  22  -3.256  -9.833  -0.303
  148    HB   VAL  22           HB       VAL  22  -1.286 -12.119  -0.057
  149   1HG1  VAL  22          1HG1      VAL  22  -4.075 -11.914  -1.234
  150   2HG1  VAL  22          2HG1      VAL  22  -3.647 -12.720   0.276
  151   3HG1  VAL  22          3HG1      VAL  22  -3.063 -13.358  -1.262
  152   1HG2  VAL  22          1HG2      VAL  22  -2.214 -11.649  -2.741
  153   2HG2  VAL  22          2HG2      VAL  22  -0.556 -11.659  -2.140
  154   3HG2  VAL  22          3HG2      VAL  22  -1.493 -10.166  -2.115
  155    H    GLN  23           H        GLN  23  -4.467 -11.292   1.212
  156    HA   GLN  23           HA       GLN  23  -3.336 -11.187   3.991
  157   1HB   GLN  23          1HB       GLN  23  -5.165  -9.575   3.511
  158   2HB   GLN  23          2HB       GLN  23  -6.199 -10.913   3.013
  159   1HG   GLN  23          1HG       GLN  23  -6.595 -11.578   5.156
  160   2HG   GLN  23          2HG       GLN  23  -4.945 -11.227   5.672
  161   1HE2  GLN  23          1HE2      GLN  23  -6.766  -8.732   3.991
  162   2HE2  GLN  23          2HE2      GLN  23  -7.027  -7.745   5.346
  163    H    ASP  24           H        ASP  24  -2.535 -13.428   3.571
  164    HA   ASP  24           HA       ASP  24  -4.375 -15.564   2.894
  165   1HB   ASP  24          1HB       ASP  24  -1.588 -15.115   3.317
  166   2HB   ASP  24          2HB       ASP  24  -2.081 -16.491   4.302
  167    H    THR  25           H        THR  25  -4.477 -17.503   4.546
  168    HA   THR  25           HA       THR  25  -6.019 -16.691   6.814
  169    HB   THR  25           HB       THR  25  -5.888 -19.101   7.355
  170    HG1  THR  25           HG1      THR  25  -3.570 -19.115   6.707
  171   1HG2  THR  25          1HG2      THR  25  -6.811 -19.943   5.291
  172   2HG2  THR  25          2HG2      THR  25  -5.987 -18.694   4.357
  173   3HG2  THR  25          3HG2      THR  25  -7.303 -18.256   5.448
  174    H    SER  26           H        SER  26  -2.585 -17.112   6.362
  175    HA   SER  26           HA       SER  26  -1.984 -17.348   9.228
  176   1HB   SER  26          1HB       SER  26  -0.655 -17.559   6.639
  177   2HB   SER  26          2HB       SER  26   0.328 -16.677   7.804
  178    HG   SER  26           HG       SER  26  -0.908 -19.202   8.234
  179    H    GLY  27           H        GLY  27  -2.139 -14.813   6.787
  180   1HA   GLY  27          1HA       GLY  27  -2.565 -12.638   8.394
  181   2HA   GLY  27          2HA       GLY  27  -0.813 -12.830   8.486
  182    H    THR  28           H        THR  28  -0.878 -10.643   7.402
  183    HA   THR  28           HA       THR  28  -1.611 -10.706   4.527
  184    HB   THR  28           HB       THR  28  -0.471  -8.467   6.224
  185    HG1  THR  28           HG1      THR  28  -2.294  -8.707   7.243
  186   1HG2  THR  28          1HG2      THR  28  -1.084  -8.684   3.479
  187   2HG2  THR  28          2HG2      THR  28  -0.707  -7.212   4.375
  188   3HG2  THR  28          3HG2      THR  28  -2.383  -7.729   4.191
  189    H    TYR  29           H        TYR  29  -0.026 -11.521   3.187
  190    HA   TYR  29           HA       TYR  29   2.828 -10.894   3.868
  191   1HB   TYR  29          1HB       TYR  29   3.347 -12.966   2.704
  192   2HB   TYR  29          2HB       TYR  29   2.067 -13.288   3.870
  193    HD1  TYR  29           HD1      TYR  29   2.947 -13.080   0.327
  194    HD2  TYR  29           HD2      TYR  29  -0.284 -13.561   3.118
  195    HE1  TYR  29           HE1      TYR  29   1.487 -13.900  -1.503
  196    HE2  TYR  29           HE2      TYR  29  -1.743 -14.380   1.287
  197    HH   TYR  29           HH       TYR  29  -0.675 -14.326  -2.075
  198    H    TYR  30           H        TYR  30   3.776 -11.682   1.257
  199    HA   TYR  30           HA       TYR  30   2.602  -9.532  -0.474
  200   1HB   TYR  30          1HB       TYR  30   5.495 -10.222   0.124
  201   2HB   TYR  30          2HB       TYR  30   4.996  -9.078  -1.124
  202    HD1  TYR  30           HD1      TYR  30   3.359  -7.175  -0.350
  203    HD2  TYR  30           HD2      TYR  30   5.847  -9.456   2.308
  204    HE1  TYR  30           HE1      TYR  30   3.168  -5.390   1.362
  205    HE2  TYR  30           HE2      TYR  30   5.655  -7.671   4.019
  206    HH   TYR  30           HH       TYR  30   4.938  -5.601   4.441
  207    H    TRP  31           H        TRP  31   2.370 -10.105  -2.635
  208    HA   TRP  31           HA       TRP  31   3.233 -12.874  -3.385
  209   1HB   TRP  31          1HB       TRP  31   0.874 -12.686  -3.427
  210   2HB   TRP  31          2HB       TRP  31   0.929 -11.071  -4.124
  211    HD1  TRP  31           HD1      TRP  31   3.143 -13.795  -5.559
  212    HE1  TRP  31           HE1      TRP  31   2.322 -14.388  -7.930
  213    HE3  TRP  31           HE3      TRP  31  -1.226 -11.153  -5.668
  214    HZ2  TRP  31           HZ2      TRP  31   0.105 -13.817  -9.647
  215    HZ3  TRP  31           HZ3      TRP  31  -2.672 -11.197  -7.680
  216    HH2  TRP  31           HH2      TRP  31  -2.013 -12.524  -9.667
  217    H    HIS  32           H        HIS  32   4.967 -12.866  -4.723
  218    HA   HIS  32           HA       HIS  32   5.813 -10.488  -6.185
  219   1HB   HIS  32          1HB       HIS  32   7.025 -12.645  -5.059
  220   2HB   HIS  32          2HB       HIS  32   7.000 -13.152  -6.748
  221    HD1  HIS  32           HD1      HIS  32   9.736 -12.596  -5.754
  222    HD2  HIS  32           HD2      HIS  32   7.311  -9.525  -7.190
  223    HE1  HIS  32           HE1      HIS  32  11.288 -10.709  -6.418
  224    H    ILE  33           H        ILE  33   4.684  -9.955  -7.986
  225    HA   ILE  33           HA       ILE  33   3.169 -11.753  -9.626
  226    HB   ILE  33           HB       ILE  33   4.291  -8.975 -10.114
  227   1HG1  ILE  33          1HG1      ILE  33   1.648  -9.927  -8.955
  228   2HG1  ILE  33          2HG1      ILE  33   2.943  -9.127  -8.063
  229   1HG2  ILE  33          1HG2      ILE  33   1.988  -9.017 -11.484
  230   2HG2  ILE  33          2HG2      ILE  33   2.383 -10.733 -11.593
  231   3HG2  ILE  33          3HG2      ILE  33   3.510  -9.527 -12.213
  232   1HD1  ILE  33          1HD1      ILE  33   2.072  -7.674 -10.473
  233   2HD1  ILE  33          2HD1      ILE  33   2.374  -7.072  -8.843
  234   3HD1  ILE  33          3HD1      ILE  33   0.827  -7.825  -9.233
  235    HA   PRO  34           HA       PRO  34   6.856 -11.344 -12.665
  236   1HB   PRO  34          1HB       PRO  34   9.302 -10.706 -11.625
  237   2HB   PRO  34          2HB       PRO  34   8.149  -9.494 -12.216
  238   1HG   PRO  34          1HG       PRO  34   8.793 -10.297  -9.437
  239   2HG   PRO  34          2HG       PRO  34   8.354  -8.709 -10.084
  240   1HD   PRO  34          1HD       PRO  34   6.651 -10.379  -8.711
  241   2HD   PRO  34          2HD       PRO  34   6.129  -9.085  -9.808
  242    H    THR  35           H        THR  35   8.350 -12.256  -9.513
  243    HA   THR  35           HA       THR  35   9.456 -14.702 -10.730
  244    HB   THR  35           HB       THR  35  10.575 -14.897  -8.593
  245    HG1  THR  35           HG1      THR  35   9.722 -14.129  -6.832
  246   1HG2  THR  35          1HG2      THR  35  10.753 -12.666 -10.228
  247   2HG2  THR  35          2HG2      THR  35  11.901 -13.106  -8.964
  248   3HG2  THR  35          3HG2      THR  35  10.597 -11.971  -8.615
  249    H    GLY  36           H        GLY  36   6.572 -13.802  -9.099
  250   1HA   GLY  36          1HA       GLY  36   4.712 -15.105  -8.487
  251   2HA   GLY  36          2HA       GLY  36   5.513 -16.486  -9.239
  252    H    THR  37           H        THR  37   7.639 -15.102  -7.063
  253    HA   THR  37           HA       THR  37   7.331 -17.328  -5.181
  254    HB   THR  37           HB       THR  37   9.089 -14.878  -4.980
  255    HG1  THR  37           HG1      THR  37   9.220 -17.123  -6.657
  256   1HG2  THR  37          1HG2      THR  37   9.754 -15.988  -3.141
  257   2HG2  THR  37          2HG2      THR  37  10.492 -17.154  -4.241
  258   3HG2  THR  37          3HG2      THR  37   8.870 -17.440  -3.611
  259    H    THR  38           H        THR  38   7.082 -16.930  -2.832
  260    HA   THR  38           HA       THR  38   5.440 -14.481  -2.255
  261    HB   THR  38           HB       THR  38   4.768 -16.483  -0.418
  262    HG1  THR  38           HG1      THR  38   4.545 -17.693  -2.911
  263   1HG2  THR  38          1HG2      THR  38   2.942 -16.597  -2.579
  264   2HG2  THR  38          2HG2      THR  38   3.573 -14.951  -2.541
  265   3HG2  THR  38          3HG2      THR  38   2.806 -15.634  -1.107
  266    H    GLN  39           H        GLN  39   5.754 -13.548  -0.137
  267    HA   GLN  39           HA       GLN  39   8.011 -14.646   1.484
  268   1HB   GLN  39          1HB       GLN  39   7.744 -11.924   0.194
  269   2HB   GLN  39          2HB       GLN  39   8.810 -12.191   1.575
  270   1HG   GLN  39          1HG       GLN  39   9.615 -14.252   0.083
  271   2HG   GLN  39          2HG       GLN  39   9.038 -13.213  -1.221
  272   1HE2  GLN  39          1HE2      GLN  39  11.540 -13.265  -1.662
  273   2HE2  GLN  39          2HE2      GLN  39  12.457 -12.053  -0.904
  274    H    TRP  40           H        TRP  40   8.183 -12.786   3.437
  275    HA   TRP  40           HA       TRP  40   5.387 -12.270   4.379
  276   1HB   TRP  40          1HB       TRP  40   7.660 -13.726   5.753
  277   2HB   TRP  40          2HB       TRP  40   6.236 -13.148   6.619
  278    HD1  TRP  40           HD1      TRP  40   7.321 -15.679   3.972
  279    HE1  TRP  40           HE1      TRP  40   5.449 -17.428   3.679
  280    HE3  TRP  40           HE3      TRP  40   3.685 -13.574   6.874
  281    HZ2  TRP  40           HZ2      TRP  40   2.764 -17.875   4.559
  282    HZ3  TRP  40           HZ3      TRP  40   1.482 -14.681   7.129
  283    HH2  TRP  40           HH2      TRP  40   1.017 -16.826   5.977
  284    H    GLU  41           H        GLU  41   8.352 -10.956   3.707
  285    HA   GLU  41           HA       GLU  41   8.138  -8.933   5.913
  286   1HB   GLU  41          1HB       GLU  41  10.546  -9.540   4.185
  287   2HB   GLU  41          2HB       GLU  41  10.512  -8.718   5.744
  288   1HG   GLU  41          1HG       GLU  41   9.821 -10.789   6.855
  289   2HG   GLU  41          2HG       GLU  41   9.771 -11.625   5.301
  290    HA   PRO  42           HA       PRO  42   7.294  -5.909   2.840
  291   1HB   PRO  42          1HB       PRO  42   8.327  -3.685   4.053
  292   2HB   PRO  42          2HB       PRO  42   6.824  -4.466   4.585
  293   1HG   PRO  42          1HG       PRO  42   9.556  -4.632   5.743
  294   2HG   PRO  42          2HG       PRO  42   7.984  -4.593   6.557
  295   1HD   PRO  42          1HD       PRO  42   9.459  -6.871   6.174
  296   2HD   PRO  42          2HD       PRO  42   7.694  -6.849   6.376
  297    HA   PRO  43           HA       PRO  43  11.340  -6.014   0.842
  298   1HB   PRO  43          1HB       PRO  43  10.358  -5.692  -1.693
  299   2HB   PRO  43          2HB       PRO  43  10.369  -7.257  -0.854
  300   1HG   PRO  43          1HG       PRO  43   8.132  -5.341  -1.256
  301   2HG   PRO  43          2HG       PRO  43   8.121  -7.112  -1.275
  302   1HD   PRO  43          1HD       PRO  43   7.267  -5.606   0.845
  303   2HD   PRO  43          2HD       PRO  43   7.894  -7.263   0.994
  304    H    GLY  44           H        GLY  44   8.743  -3.734  -0.106
  305   1HA   GLY  44          1HA       GLY  44   8.865  -1.463  -0.708
  306   2HA   GLY  44          2HA       GLY  44  10.008  -1.361   0.632
  307    H    ARG  45           H        ARG  45  11.152   0.260  -0.679
  308    HA   ARG  45           HA       ARG  45  12.886  -1.020  -2.768
  309   1HB   ARG  45          1HB       ARG  45  11.126   1.331  -2.787
  310   2HB   ARG  45          2HB       ARG  45  12.756   1.685  -3.362
  311   1HG   ARG  45          1HG       ARG  45  11.978  -0.814  -4.489
  312   2HG   ARG  45          2HG       ARG  45  10.649   0.320  -4.741
  313   1HD   ARG  45          1HD       ARG  45  11.868   1.613  -6.187
  314   2HD   ARG  45          2HD       ARG  45  13.364   1.413  -5.253
  315    HE   ARG  45           HE       ARG  45  13.271  -1.028  -6.177
  316   1HH1  ARG  45          1HH1      ARG  45  14.434   1.130  -7.994
  317   2HH1  ARG  45          2HH1      ARG  45  13.622   0.785  -9.485
  318   1HH2  ARG  45          1HH2      ARG  45  11.196  -1.205  -8.008
  319   2HH2  ARG  45          2HH2      ARG  45  11.788  -0.538  -9.492
  320    H    ALA  46           H        ALA  46  13.088   2.297  -1.627
  321    HA   ALA  46           HA       ALA  46  15.873   2.208  -1.068
  322   1HB   ALA  46          1HB       ALA  46  14.157   4.089   0.458
  323   2HB   ALA  46          2HB       ALA  46  13.927   4.094  -1.290
  324   3HB   ALA  46          3HB       ALA  46  15.519   4.428  -0.609
  325    H    SER  47           H        SER  47  16.111   3.322   1.522
  326    HA   SER  47           HA       SER  47  15.440   0.948   3.228
  327   1HB   SER  47          1HB       SER  47  17.462   2.303   4.490
  328   2HB   SER  47          2HB       SER  47  17.719   0.994   3.338
  329    HG   SER  47           HG       SER  47  17.711   3.790   2.867
  330    HA   PRO  48           HA       PRO  48  12.998   3.663   5.690
  331   1HB   PRO  48          1HB       PRO  48  13.000   2.231   8.023
  332   2HB   PRO  48          2HB       PRO  48  12.053   1.757   6.598
  333   1HG   PRO  48          1HG       PRO  48  14.650   0.694   7.585
  334   2HG   PRO  48          2HG       PRO  48  13.288  -0.161   6.846
  335   1HD   PRO  48          1HD       PRO  48  15.579   0.492   5.505
  336   2HD   PRO  48          2HD       PRO  48  13.999   0.279   4.719
  337    H    SER  49           H        SER  49  13.576   5.495   6.812
  338    HA   SER  49           HA       SER  49  16.027   5.380   8.540
  339   1HB   SER  49          1HB       SER  49  15.273   7.849   7.028
  340   2HB   SER  49          2HB       SER  49  16.872   7.247   7.456
  341    HG   SER  49           HG       SER  49  15.140   6.441   5.381
  342    H    GLN  50           H        GLN  50  16.032   7.099  10.228
  343    HA   GLN  50           HA       GLN  50  13.571   7.281  11.666
  344   1HB   GLN  50          1HB       GLN  50  14.908   8.958  12.999
  345   2HB   GLN  50          2HB       GLN  50  15.757   7.437  12.717
  346   1HG   GLN  50          1HG       GLN  50  17.438   8.618  11.801
  347   2HG   GLN  50          2HG       GLN  50  16.345   9.059  10.489
  348   1HE2  GLN  50          1HE2      GLN  50  17.583  10.147  13.654
  349   2HE2  GLN  50          2HE2      GLN  50  17.136  11.772  13.453
  Start of MODEL   12
    1    H    ASP   1           H        ASP   1   3.394  16.478  11.393
    2    HA   ASP   1           HA       ASP   1   3.076  14.023  10.861
    3   1HB   ASP   1          1HB       ASP   1   3.581  15.315  13.061
    4   2HB   ASP   1          2HB       ASP   1   1.894  14.990  13.464
    5    H    SER   2           H        SER   2   1.537  12.330  10.774
    6    HA   SER   2           HA       SER   2  -1.300  13.220  10.479
    7   1HB   SER   2          1HB       SER   2   0.356  11.816   8.834
    8   2HB   SER   2          2HB       SER   2  -0.421  10.495   9.702
    9    HG   SER   2           HG       SER   2  -1.985  10.845   8.336
   10    H    PHE   3           H        PHE   3  -2.958  11.599  11.262
   11    HA   PHE   3           HA       PHE   3  -2.061  10.365  13.844
   12   1HB   PHE   3          1HB       PHE   3  -4.782  11.355  12.928
   13   2HB   PHE   3          2HB       PHE   3  -4.386  10.778  14.547
   14    HD1  PHE   3           HD1      PHE   3  -5.298  13.643  13.314
   15    HD2  PHE   3           HD2      PHE   3  -1.658  11.971  14.864
   16    HE1  PHE   3           HE1      PHE   3  -4.522  15.913  13.939
   17    HE2  PHE   3           HE2      PHE   3  -0.880  14.243  15.488
   18    HZ   PHE   3           HZ       PHE   3  -2.313  16.214  15.025
   19    H    TRP   4           H        TRP   4  -4.747   9.034  13.979
   20    HA   TRP   4           HA       TRP   4  -4.184   6.444  13.166
   21   1HB   TRP   4          1HB       TRP   4  -6.597   8.094  13.666
   22   2HB   TRP   4          2HB       TRP   4  -6.880   6.590  12.789
   23    HD1  TRP   4           HD1      TRP   4  -4.595   7.502  15.788
   24    HE1  TRP   4           HE1      TRP   4  -4.954   5.731  17.627
   25    HE3  TRP   4           HE3      TRP   4  -8.132   4.593  13.531
   26    HZ2  TRP   4           HZ2      TRP   4  -6.533   3.389  18.080
   27    HZ3  TRP   4           HZ3      TRP   4  -9.044   2.600  14.686
   28    HH2  TRP   4           HH2      TRP   4  -8.251   1.994  16.956
   29    H    ASN   5           H        ASN   5  -4.191   5.337  11.212
   30    HA   ASN   5           HA       ASN   5  -4.305   6.864   8.730
   31   1HB   ASN   5          1HB       ASN   5  -4.076   3.900   9.349
   32   2HB   ASN   5          2HB       ASN   5  -3.758   4.635   7.778
   33   1HD2  ASN   5          1HD2      ASN   5  -1.497   3.672   8.179
   34   2HD2  ASN   5          2HD2      ASN   5  -0.398   4.600   9.081
   35    HA   PRO   6           HA       PRO   6  -8.668   6.177   8.206
   36   1HB   PRO   6          1HB       PRO   6  -8.862   7.267   5.704
   37   2HB   PRO   6          2HB       PRO   6  -8.729   8.249   7.177
   38   1HG   PRO   6          1HG       PRO   6  -6.645   7.546   5.178
   39   2HG   PRO   6          2HG       PRO   6  -6.896   9.057   6.064
   40   1HD   PRO   6          1HD       PRO   6  -4.997   7.198   6.721
   41   2HD   PRO   6          2HD       PRO   6  -5.715   8.336   7.882
   42    H    ASN   7           H        ASN   7  -6.209   5.211   5.864
   43    HA   ASN   7           HA       ASN   7  -8.011   3.355   4.466
   44   1HB   ASN   7          1HB       ASN   7  -5.937   2.903   3.181
   45   2HB   ASN   7          2HB       ASN   7  -6.241   4.634   3.320
   46   1HD2  ASN   7          1HD2      ASN   7  -3.632   4.027   2.814
   47   2HD2  ASN   7          2HD2      ASN   7  -2.677   4.173   4.210
   48    H    ALA   8           H        ALA   8  -7.074   3.109   7.462
   49    HA   ALA   8           HA       ALA   8  -5.384   0.979   7.964
   50   1HB   ALA   8          1HB       ALA   8  -7.173   2.436   9.370
   51   2HB   ALA   8          2HB       ALA   8  -6.444   0.962  10.010
   52   3HB   ALA   8          3HB       ALA   8  -8.052   0.909   9.286
   53    H    PHE   9           H        PHE   9  -8.501   0.867   6.365
   54    HA   PHE   9           HA       PHE   9  -8.211  -2.111   6.101
   55   1HB   PHE   9          1HB       PHE   9 -10.110  -0.977   7.530
   56   2HB   PHE   9          2HB       PHE   9 -10.834  -0.640   5.957
   57    HD1  PHE   9           HD1      PHE   9 -10.571  -3.023   8.554
   58    HD2  PHE   9           HD2      PHE   9 -10.874  -2.699   4.283
   59    HE1  PHE   9           HE1      PHE   9 -11.406  -5.354   8.438
   60    HE2  PHE   9           HE2      PHE   9 -11.710  -5.031   4.166
   61    HZ   PHE   9           HZ       PHE   9 -11.976  -6.358   6.243
   62    H    GLU  10           H        GLU  10  -6.981  -1.574   4.086
   63    HA   GLU  10           HA       GLU  10  -8.844  -1.177   1.799
   64   1HB   GLU  10          1HB       GLU  10  -7.227   0.846   2.880
   65   2HB   GLU  10          2HB       GLU  10  -6.356   0.294   1.449
   66   1HG   GLU  10          1HG       GLU  10  -8.511   0.507   0.154
   67   2HG   GLU  10          2HG       GLU  10  -9.222   1.267   1.578
   68    H    THR  11           H        THR  11  -6.856  -1.038  -0.186
   69    HA   THR  11           HA       THR  11  -5.934  -3.827  -0.240
   70    HB   THR  11           HB       THR  11  -5.188  -1.779  -2.288
   71    HG1  THR  11           HG1      THR  11  -7.160  -1.113  -2.398
   72   1HG2  THR  11          1HG2      THR  11  -6.599  -3.993  -3.341
   73   2HG2  THR  11          2HG2      THR  11  -5.537  -4.632  -2.085
   74   3HG2  THR  11          3HG2      THR  11  -4.863  -3.694  -3.418
   75    H    ASP  12           H        ASP  12  -3.555  -3.483  -1.729
   76    HA   ASP  12           HA       ASP  12  -1.487  -3.540   0.079
   77   1HB   ASP  12          1HB       ASP  12  -0.068  -2.992  -1.816
   78   2HB   ASP  12          2HB       ASP  12  -1.450  -3.906  -2.418
   79    H    SER  13           H        SER  13   0.155  -1.904   0.694
   80    HA   SER  13           HA       SER  13  -1.106   0.740   1.245
   81   1HB   SER  13          1HB       SER  13   1.087   0.723   2.760
   82   2HB   SER  13          2HB       SER  13  -0.356  -0.164   3.243
   83    HG   SER  13           HG       SER  13   0.608  -2.006   2.776
   84    H    ASP  14           H        ASP  14   2.165  -0.473   0.469
   85    HA   ASP  14           HA       ASP  14   2.507   1.353  -1.764
   86   1HB   ASP  14          1HB       ASP  14   2.748   2.426   0.801
   87   2HB   ASP  14          2HB       ASP  14   4.416   2.140   0.305
   88    H    LEU  15           H        LEU  15   3.091  -0.986  -2.361
   89    HA   LEU  15           HA       LEU  15   5.788  -1.822  -1.414
   90   1HB   LEU  15          1HB       LEU  15   3.421  -3.061  -2.779
   91   2HB   LEU  15          2HB       LEU  15   4.999  -3.820  -2.985
   92    HG   LEU  15           HG       LEU  15   3.730  -4.741  -1.037
   93   1HD1  LEU  15          1HD1      LEU  15   5.592  -4.691   0.498
   94   2HD1  LEU  15          2HD1      LEU  15   6.174  -3.169  -0.176
   95   3HD1  LEU  15          3HD1      LEU  15   6.257  -4.646  -1.135
   96   1HD2  LEU  15          1HD2      LEU  15   2.575  -2.628  -0.433
   97   2HD2  LEU  15          2HD2      LEU  15   4.120  -1.939   0.067
   98   3HD2  LEU  15          3HD2      LEU  15   3.440  -3.309   0.946
   99    HA   PRO  16           HA       PRO  16   7.838  -0.696  -5.121
  100   1HB   PRO  16          1HB       PRO  16   9.286  -2.926  -5.786
  101   2HB   PRO  16          2HB       PRO  16   9.701  -1.870  -4.421
  102   1HG   PRO  16          1HG       PRO  16   8.261  -4.479  -4.425
  103   2HG   PRO  16          2HG       PRO  16   9.479  -3.865  -3.294
  104   1HD   PRO  16          1HD       PRO  16   6.827  -3.868  -2.737
  105   2HD   PRO  16          2HD       PRO  16   7.945  -2.645  -2.096
  106    H    ALA  17           H        ALA  17   8.486  -2.057  -7.429
  107    HA   ALA  17           HA       ALA  17   5.830  -2.485  -8.638
  108   1HB   ALA  17          1HB       ALA  17   7.284  -2.544 -10.723
  109   2HB   ALA  17          2HB       ALA  17   8.673  -2.290  -9.666
  110   3HB   ALA  17          3HB       ALA  17   7.410  -1.064  -9.773
  111    H    GLY  18           H        GLY  18   4.982  -4.508  -8.796
  112   1HA   GLY  18          1HA       GLY  18   5.065  -6.781  -9.616
  113   2HA   GLY  18          2HA       GLY  18   6.804  -6.793  -9.336
  114    H    TRP  19           H        TRP  19   5.352  -5.354  -6.685
  115    HA   TRP  19           HA       TRP  19   5.282  -7.984  -5.245
  116   1HB   TRP  19          1HB       TRP  19   6.432  -5.282  -4.650
  117   2HB   TRP  19          2HB       TRP  19   5.890  -6.283  -3.303
  118    HD1  TRP  19           HD1      TRP  19   8.715  -5.820  -5.648
  119    HE1  TRP  19           HE1      TRP  19  10.423  -7.738  -5.390
  120    HE3  TRP  19           HE3      TRP  19   5.987  -9.044  -2.784
  121    HZ2  TRP  19           HZ2      TRP  19  10.600 -10.309  -4.135
  122    HZ3  TRP  19           HZ3      TRP  19   6.943 -11.217  -2.075
  123    HH2  TRP  19           HH2      TRP  19   9.243 -11.852  -2.748
  124    H    MET  20           H        MET  20   3.376  -8.438  -4.215
  125    HA   MET  20           HA       MET  20   1.380  -6.213  -3.932
  126   1HB   MET  20          1HB       MET  20   0.938  -9.186  -4.330
  127   2HB   MET  20          2HB       MET  20  -0.288  -7.926  -4.403
  128   1HG   MET  20          1HG       MET  20   2.037  -8.315  -6.299
  129   2HG   MET  20          2HG       MET  20   0.319  -8.472  -6.672
  130   1HE   MET  20          1HE       MET  20   2.939  -5.094  -7.284
  131   2HE   MET  20          2HE       MET  20   2.286  -6.240  -8.453
  132   3HE   MET  20          3HE       MET  20   3.189  -6.831  -7.060
  133    H    ARG  21           H        ARG  21  -0.238  -6.660  -2.157
  134    HA   ARG  21           HA       ARG  21   1.072  -7.993   0.194
  135   1HB   ARG  21          1HB       ARG  21   0.868  -5.431   0.074
  136   2HB   ARG  21          2HB       ARG  21  -0.872  -5.672   0.233
  137   1HG   ARG  21          1HG       ARG  21  -0.315  -7.088   2.308
  138   2HG   ARG  21          2HG       ARG  21   1.297  -6.378   2.211
  139   1HD   ARG  21          1HD       ARG  21   0.553  -4.460   3.158
  140   2HD   ARG  21          2HD       ARG  21  -0.730  -4.316   1.942
  141    HE   ARG  21           HE       ARG  21  -2.116  -5.818   3.342
  142   1HH1  ARG  21          1HH1      ARG  21   0.962  -5.688   4.700
  143   2HH1  ARG  21          2HH1      ARG  21   0.420  -5.470   6.331
  144   1HH2  ARG  21          1HH2      ARG  21  -2.907  -5.053   5.450
  145   2HH2  ARG  21          2HH2      ARG  21  -1.770  -5.111   6.756
  146    H    VAL  22           H        VAL  22  -0.060  -9.947   0.313
  147    HA   VAL  22           HA       VAL  22  -3.036  -9.855   0.000
  148    HB   VAL  22           HB       VAL  22  -1.240 -12.262   0.154
  149   1HG1  VAL  22          1HG1      VAL  22  -3.821 -11.863  -1.357
  150   2HG1  VAL  22          2HG1      VAL  22  -3.770 -12.434   0.310
  151   3HG1  VAL  22          3HG1      VAL  22  -3.018 -13.384  -0.971
  152   1HG2  VAL  22          1HG2      VAL  22  -1.240 -12.165  -2.373
  153   2HG2  VAL  22          2HG2      VAL  22  -0.294 -10.892  -1.603
  154   3HG2  VAL  22          3HG2      VAL  22  -1.894 -10.533  -2.247
  155    H    GLN  23           H        GLN  23  -4.328 -10.915   1.561
  156    HA   GLN  23           HA       GLN  23  -3.035 -11.436   4.208
  157   1HB   GLN  23          1HB       GLN  23  -5.403 -10.658   4.992
  158   2HB   GLN  23          2HB       GLN  23  -4.251  -9.433   4.469
  159   1HG   GLN  23          1HG       GLN  23  -5.987 -10.650   2.378
  160   2HG   GLN  23          2HG       GLN  23  -6.755  -9.541   3.514
  161   1HE2  GLN  23          1HE2      GLN  23  -5.913  -7.297   3.595
  162   2HE2  GLN  23          2HE2      GLN  23  -5.033  -6.666   2.287
  163    H    ASP  24           H        ASP  24  -2.948 -13.738   3.522
  164    HA   ASP  24           HA       ASP  24  -5.371 -15.139   2.762
  165   1HB   ASP  24          1HB       ASP  24  -3.924 -16.984   2.627
  166   2HB   ASP  24          2HB       ASP  24  -2.835 -15.627   2.360
  167    H    THR  25           H        THR  25  -5.426 -17.394   4.360
  168    HA   THR  25           HA       THR  25  -6.740 -16.366   6.777
  169    HB   THR  25           HB       THR  25  -7.476 -18.675   6.975
  170    HG1  THR  25           HG1      THR  25  -6.107 -20.144   6.422
  171   1HG2  THR  25          1HG2      THR  25  -8.754 -18.741   5.057
  172   2HG2  THR  25          2HG2      THR  25  -7.384 -18.380   4.006
  173   3HG2  THR  25          3HG2      THR  25  -8.147 -17.090   4.935
  174    H    SER  26           H        SER  26  -3.933 -15.850   6.826
  175    HA   SER  26           HA       SER  26  -3.202 -17.313   9.281
  176   1HB   SER  26          1HB       SER  26  -2.238 -17.966   6.638
  177   2HB   SER  26          2HB       SER  26  -0.902 -17.427   7.648
  178    HG   SER  26           HG       SER  26  -2.746 -19.528   8.102
  179    H    GLY  27           H        GLY  27  -2.351 -14.890   6.828
  180   1HA   GLY  27          1HA       GLY  27  -1.879 -12.792   8.639
  181   2HA   GLY  27          2HA       GLY  27  -0.320 -13.579   8.385
  182    H    THR  28           H        THR  28  -0.690 -10.945   7.558
  183    HA   THR  28           HA       THR  28  -1.340 -10.931   4.684
  184    HB   THR  28           HB       THR  28  -0.119  -8.767   6.417
  185    HG1  THR  28           HG1      THR  28  -2.800  -9.613   6.103
  186   1HG2  THR  28          1HG2      THR  28  -1.864  -7.576   4.702
  187   2HG2  THR  28          2HG2      THR  28  -1.326  -8.941   3.721
  188   3HG2  THR  28          3HG2      THR  28  -0.148  -7.793   4.358
  189    H    TYR  29           H        TYR  29   0.239 -11.761   3.308
  190    HA   TYR  29           HA       TYR  29   3.106 -11.208   3.997
  191   1HB   TYR  29          1HB       TYR  29   3.570 -13.243   2.724
  192   2HB   TYR  29          2HB       TYR  29   2.317 -13.582   3.918
  193    HD1  TYR  29           HD1      TYR  29   3.058 -13.142   0.348
  194    HD2  TYR  29           HD2      TYR  29  -0.026 -13.891   3.240
  195    HE1  TYR  29           HE1      TYR  29   1.530 -13.853  -1.470
  196    HE2  TYR  29           HE2      TYR  29  -1.556 -14.604   1.422
  197    HH   TYR  29           HH       TYR  29  -0.855 -15.614  -1.281
  198    H    TYR  30           H        TYR  30   4.059 -11.903   1.375
  199    HA   TYR  30           HA       TYR  30   2.943  -9.663  -0.282
  200   1HB   TYR  30          1HB       TYR  30   5.797 -10.497   0.305
  201   2HB   TYR  30          2HB       TYR  30   5.372  -9.354  -0.969
  202    HD1  TYR  30           HD1      TYR  30   4.015  -7.274  -0.324
  203    HD2  TYR  30           HD2      TYR  30   5.990  -9.783   2.549
  204    HE1  TYR  30           HE1      TYR  30   3.911  -5.444   1.346
  205    HE2  TYR  30           HE2      TYR  30   5.884  -7.953   4.219
  206    HH   TYR  30           HH       TYR  30   4.957  -5.947   4.690
  207    H    TRP  31           H        TRP  31   2.625 -10.169  -2.450
  208    HA   TRP  31           HA       TRP  31   3.390 -12.938  -3.309
  209   1HB   TRP  31          1HB       TRP  31   1.019 -12.627  -3.247
  210   2HB   TRP  31          2HB       TRP  31   1.137 -11.045  -4.011
  211    HD1  TRP  31           HD1      TRP  31   3.315 -13.748  -5.444
  212    HE1  TRP  31           HE1      TRP  31   2.406 -14.467  -7.747
  213    HE3  TRP  31           HE3      TRP  31  -1.184 -11.333  -5.409
  214    HZ2  TRP  31           HZ2      TRP  31   0.076 -14.071  -9.359
  215    HZ3  TRP  31           HZ3      TRP  31  -2.726 -11.521  -7.338
  216    HH2  TRP  31           HH2      TRP  31  -2.103 -12.885  -9.312
  217    H    HIS  32           H        HIS  32   5.181 -12.852  -4.605
  218    HA   HIS  32           HA       HIS  32   5.930 -10.461  -6.098
  219   1HB   HIS  32          1HB       HIS  32   7.217 -12.604  -5.012
  220   2HB   HIS  32          2HB       HIS  32   7.162 -13.093  -6.705
  221    HD1  HIS  32           HD1      HIS  32   9.908 -12.491  -5.760
  222    HD2  HIS  32           HD2      HIS  32   7.393  -9.464  -7.129
  223    HE1  HIS  32           HE1      HIS  32  11.407 -10.565  -6.438
  224    H    ILE  33           H        ILE  33   4.643  -9.975  -7.841
  225    HA   ILE  33           HA       ILE  33   3.201 -11.863  -9.441
  226    HB   ILE  33           HB       ILE  33   4.093  -9.018 -10.005
  227   1HG1  ILE  33          1HG1      ILE  33   1.794 -10.192  -8.420
  228   2HG1  ILE  33          2HG1      ILE  33   2.942  -8.947  -7.929
  229   1HG2  ILE  33          1HG2      ILE  33   2.863 -10.801 -11.709
  230   2HG2  ILE  33          2HG2      ILE  33   2.720  -9.046 -11.816
  231   3HG2  ILE  33          3HG2      ILE  33   1.484  -9.983 -10.976
  232   1HD1  ILE  33          1HD1      ILE  33   0.594  -8.717  -9.795
  233   2HD1  ILE  33          2HD1      ILE  33   1.947  -7.594  -9.934
  234   3HD1  ILE  33          3HD1      ILE  33   1.031  -7.690  -8.432
  235    HA   PRO  34           HA       PRO  34   6.710 -11.139 -12.633
  236   1HB   PRO  34          1HB       PRO  34   9.142 -10.317 -11.694
  237   2HB   PRO  34          2HB       PRO  34   7.870  -9.198 -12.220
  238   1HG   PRO  34          1HG       PRO  34   8.699  -9.970  -9.481
  239   2HG   PRO  34          2HG       PRO  34   8.110  -8.418 -10.090
  240   1HD   PRO  34          1HD       PRO  34   6.603 -10.222  -8.659
  241   2HD   PRO  34          2HD       PRO  34   5.935  -8.968  -9.724
  242    H    THR  35           H        THR  35   8.228 -12.067  -9.498
  243    HA   THR  35           HA       THR  35   9.641 -14.296 -10.808
  244    HB   THR  35           HB       THR  35  10.646 -14.545  -8.614
  245    HG1  THR  35           HG1      THR  35   9.378 -14.239  -6.991
  246   1HG2  THR  35          1HG2      THR  35  10.168 -11.721  -9.541
  247   2HG2  THR  35          2HG2      THR  35  11.627 -12.702  -9.691
  248   3HG2  THR  35          3HG2      THR  35  11.163 -12.045  -8.122
  249    H    GLY  36           H        GLY  36   6.769 -13.810  -8.854
  250   1HA   GLY  36          1HA       GLY  36   4.939 -15.354  -8.728
  251   2HA   GLY  36          2HA       GLY  36   6.007 -16.626  -9.324
  252    H    THR  37           H        THR  37   8.042 -15.564  -7.237
  253    HA   THR  37           HA       THR  37   7.414 -17.498  -5.179
  254    HB   THR  37           HB       THR  37   9.397 -15.209  -5.309
  255    HG1  THR  37           HG1      THR  37   9.396 -17.886  -6.165
  256   1HG2  THR  37          1HG2      THR  37   9.220 -17.626  -3.502
  257   2HG2  THR  37          2HG2      THR  37   9.150 -15.931  -3.022
  258   3HG2  THR  37          3HG2      THR  37  10.654 -16.609  -3.646
  259    H    THR  38           H        THR  38   7.377 -16.790  -2.812
  260    HA   THR  38           HA       THR  38   5.691 -14.326  -2.483
  261    HB   THR  38           HB       THR  38   5.059 -16.005  -0.393
  262    HG1  THR  38           HG1      THR  38   5.201 -17.666  -2.657
  263   1HG2  THR  38          1HG2      THR  38   3.192 -16.733  -2.198
  264   2HG2  THR  38          2HG2      THR  38   3.899 -15.363  -3.053
  265   3HG2  THR  38          3HG2      THR  38   3.214 -15.139  -1.444
  266    H    GLN  39           H        GLN  39   5.726 -13.774   0.055
  267    HA   GLN  39           HA       GLN  39   8.327 -14.302   1.342
  268   1HB   GLN  39          1HB       GLN  39   7.509 -11.681   0.087
  269   2HB   GLN  39          2HB       GLN  39   8.684 -11.733   1.401
  270   1HG   GLN  39          1HG       GLN  39   9.933 -13.487   0.013
  271   2HG   GLN  39          2HG       GLN  39   8.888 -13.009  -1.328
  272   1HE2  GLN  39          1HE2      GLN  39  11.801 -12.576  -1.212
  273   2HE2  GLN  39          2HE2      GLN  39  12.048 -10.898  -1.256
  274    H    TRP  40           H        TRP  40   8.262 -12.165   3.159
  275    HA   TRP  40           HA       TRP  40   5.569 -12.356   4.453
  276   1HB   TRP  40          1HB       TRP  40   8.295 -13.152   5.434
  277   2HB   TRP  40          2HB       TRP  40   7.108 -12.567   6.599
  278    HD1  TRP  40           HD1      TRP  40   8.084 -15.584   4.660
  279    HE1  TRP  40           HE1      TRP  40   6.353 -17.462   5.005
  280    HE3  TRP  40           HE3      TRP  40   4.362 -12.941   6.944
  281    HZ2  TRP  40           HZ2      TRP  40   3.734 -17.799   6.106
  282    HZ3  TRP  40           HZ3      TRP  40   2.261 -14.063   7.630
  283    HH2  TRP  40           HH2      TRP  40   1.942 -16.486   7.214
  284    H    GLU  41           H        GLU  41   8.716 -10.710   4.245
  285    HA   GLU  41           HA       GLU  41   7.568  -8.338   5.654
  286   1HB   GLU  41          1HB       GLU  41  10.411  -8.990   4.812
  287   2HB   GLU  41          2HB       GLU  41   9.913  -7.708   5.916
  288   1HG   GLU  41          1HG       GLU  41   8.747  -9.813   7.137
  289   2HG   GLU  41          2HG       GLU  41  10.114 -10.635   6.384
  290    HA   PRO  42           HA       PRO  42   7.406  -5.992   1.948
  291   1HB   PRO  42          1HB       PRO  42   8.195  -3.517   2.805
  292   2HB   PRO  42          2HB       PRO  42   6.624  -4.228   3.224
  293   1HG   PRO  42          1HG       PRO  42   9.101  -4.020   4.851
  294   2HG   PRO  42          2HG       PRO  42   7.408  -3.881   5.347
  295   1HD   PRO  42          1HD       PRO  42   8.947  -6.118   5.733
  296   2HD   PRO  42          2HD       PRO  42   7.174  -6.132   5.624
  297    HA   PRO  43           HA       PRO  43  11.699  -6.320   0.662
  298   1HB   PRO  43          1HB       PRO  43  11.171  -6.249  -2.023
  299   2HB   PRO  43          2HB       PRO  43  10.971  -7.712  -1.037
  300   1HG   PRO  43          1HG       PRO  43   8.920  -5.782  -1.999
  301   2HG   PRO  43          2HG       PRO  43   8.833  -7.545  -1.856
  302   1HD   PRO  43          1HD       PRO  43   7.700  -5.827  -0.062
  303   2HD   PRO  43          2HD       PRO  43   8.245  -7.467   0.353
  304    H    GLY  44           H        GLY  44   9.525  -3.767   0.489
  305   1HA   GLY  44          1HA       GLY  44  11.254  -2.008  -1.140
  306   2HA   GLY  44          2HA       GLY  44   9.693  -1.568  -0.448
  307    H    ARG  45           H        ARG  45   9.821  -1.823   2.145
  308    HA   ARG  45           HA       ARG  45  11.949   0.055   2.970
  309   1HB   ARG  45          1HB       ARG  45   9.247  -0.624   3.683
  310   2HB   ARG  45          2HB       ARG  45  10.265  -0.758   5.118
  311   1HG   ARG  45          1HG       ARG  45  10.383   1.481   5.287
  312   2HG   ARG  45          2HG       ARG  45  11.013   1.598   3.643
  313   1HD   ARG  45          1HD       ARG  45   9.023   2.360   2.877
  314   2HD   ARG  45          2HD       ARG  45   8.163   0.997   3.622
  315    HE   ARG  45           HE       ARG  45   9.080   3.214   5.381
  316   1HH1  ARG  45          1HH1      ARG  45   6.529   2.067   3.433
  317   2HH1  ARG  45          2HH1      ARG  45   5.289   2.406   4.593
  318   1HH2  ARG  45          1HH2      ARG  45   7.508   3.377   7.075
  319   2HH2  ARG  45          2HH2      ARG  45   5.843   3.147   6.656
  320    H    ALA  46           H        ALA  46  13.857  -1.221   3.111
  321    HA   ALA  46           HA       ALA  46  13.776  -3.679   4.792
  322   1HB   ALA  46          1HB       ALA  46  14.982  -3.051   2.418
  323   2HB   ALA  46          2HB       ALA  46  15.541  -4.332   3.493
  324   3HB   ALA  46          3HB       ALA  46  16.295  -2.740   3.554
  325    H    SER  47           H        SER  47  13.335  -1.784   6.552
  326    HA   SER  47           HA       SER  47  14.200  -0.469   8.332
  327   1HB   SER  47          1HB       SER  47  16.435  -1.902   9.049
  328   2HB   SER  47          2HB       SER  47  14.785  -2.361   9.460
  329    HG   SER  47           HG       SER  47  16.102  -3.994   8.360
  330    HA   PRO  48           HA       PRO  48  17.433   1.473   5.607
  331   1HB   PRO  48          1HB       PRO  48  16.241   3.940   5.516
  332   2HB   PRO  48          2HB       PRO  48  15.870   2.640   4.364
  333   1HG   PRO  48          1HG       PRO  48  14.355   3.524   6.772
  334   2HG   PRO  48          2HG       PRO  48  13.755   3.013   5.186
  335   1HD   PRO  48          1HD       PRO  48  13.738   1.396   7.371
  336   2HD   PRO  48          2HD       PRO  48  13.879   0.783   5.708
  337    H    SER  49           H        SER  49  18.911   1.414   7.382
  338    HA   SER  49           HA       SER  49  18.697   3.728   9.282
  339   1HB   SER  49          1HB       SER  49  18.412   1.131   9.941
  340   2HB   SER  49          2HB       SER  49  20.168   1.239  10.018
  341    HG   SER  49           HG       SER  49  18.297   2.918  11.348
  342    H    GLN  50           H        GLN  50  20.846   4.502  10.046
  343    HA   GLN  50           HA       GLN  50  23.175   3.704   8.377
  344   1HB   GLN  50          1HB       GLN  50  21.587   5.686   7.514
  345   2HB   GLN  50          2HB       GLN  50  22.574   6.619   8.640
  346   1HG   GLN  50          1HG       GLN  50  24.217   4.830   7.045
  347   2HG   GLN  50          2HG       GLN  50  23.265   5.905   6.020
  348   1HE2  GLN  50          1HE2      GLN  50  23.923   8.088   5.891
  349   2HE2  GLN  50          2HE2      GLN  50  25.167   8.759   6.830
  Start of MODEL   13
    1    H    ASP   1           H        ASP   1 -25.058   5.462 -14.952
    2    HA   ASP   1           HA       ASP   1 -25.399   4.148 -17.083
    3   1HB   ASP   1          1HB       ASP   1 -24.214   6.776 -17.992
    4   2HB   ASP   1          2HB       ASP   1 -24.076   5.312 -18.968
    5    H    SER   2           H        SER   2 -23.418   3.014 -17.954
    6    HA   SER   2           HA       SER   2 -21.540   2.293 -16.045
    7   1HB   SER   2          1HB       SER   2 -21.726   2.303 -19.008
    8   2HB   SER   2          2HB       SER   2 -20.114   2.042 -18.346
    9    HG   SER   2           HG       SER   2 -20.725   0.145 -17.674
   10    H    PHE   3           H        PHE   3 -19.316   2.934 -15.655
   11    HA   PHE   3           HA       PHE   3 -18.659   5.721 -16.558
   12   1HB   PHE   3          1HB       PHE   3 -19.470   5.105 -14.092
   13   2HB   PHE   3          2HB       PHE   3 -17.778   4.645 -13.905
   14    HD1  PHE   3           HD1      PHE   3 -16.301   6.290 -13.186
   15    HD2  PHE   3           HD2      PHE   3 -19.795   7.440 -15.405
   16    HE1  PHE   3           HE1      PHE   3 -15.676   8.677 -12.933
   17    HE2  PHE   3           HE2      PHE   3 -19.171   9.827 -15.151
   18    HZ   PHE   3           HZ       PHE   3 -17.111  10.445 -13.916
   19    H    TRP   4           H        TRP   4 -16.696   5.821 -17.577
   20    HA   TRP   4           HA       TRP   4 -15.036   3.639 -18.168
   21   1HB   TRP   4          1HB       TRP   4 -14.736   6.620 -18.021
   22   2HB   TRP   4          2HB       TRP   4 -13.301   5.645 -18.342
   23    HD1  TRP   4           HD1      TRP   4 -16.914   5.981 -19.690
   24    HE1  TRP   4           HE1      TRP   4 -16.865   5.544 -22.231
   25    HE3  TRP   4           HE3      TRP   4 -11.969   4.858 -20.296
   26    HZ2  TRP   4           HZ2      TRP   4 -14.979   4.815 -24.251
   27    HZ3  TRP   4           HZ3      TRP   4 -11.073   4.296 -22.538
   28    HH2  TRP   4           HH2      TRP   4 -12.570   4.274 -24.514
   29    H    ASN   5           H        ASN   5 -13.621   2.459 -16.930
   30    HA   ASN   5           HA       ASN   5 -12.162   3.717 -14.695
   31   1HB   ASN   5          1HB       ASN   5 -14.642   2.739 -14.179
   32   2HB   ASN   5          2HB       ASN   5 -13.683   1.278 -13.940
   33   1HD2  ASN   5          1HD2      ASN   5 -14.750   2.083 -11.623
   34   2HD2  ASN   5          2HD2      ASN   5 -13.648   2.935 -10.653
   35    HA   PRO   6           HA       PRO   6  -9.968   0.287 -16.874
   36   1HB   PRO   6          1HB       PRO   6  -7.634   1.667 -17.233
   37   2HB   PRO   6          2HB       PRO   6  -8.990   1.751 -18.374
   38   1HG   PRO   6          1HG       PRO   6  -8.165   3.683 -16.270
   39   2HG   PRO   6          2HG       PRO   6  -8.816   3.985 -17.888
   40   1HD   PRO   6          1HD       PRO   6 -10.295   4.158 -15.591
   41   2HD   PRO   6          2HD       PRO   6 -10.983   3.800 -17.190
   42    H    ASN   7           H        ASN   7  -9.167   2.413 -14.199
   43    HA   ASN   7           HA       ASN   7  -6.957   0.805 -13.180
   44   1HB   ASN   7          1HB       ASN   7  -8.517   3.220 -12.483
   45   2HB   ASN   7          2HB       ASN   7  -7.858   2.345 -11.102
   46   1HD2  ASN   7          1HD2      ASN   7  -6.909   3.888 -14.194
   47   2HD2  ASN   7          2HD2      ASN   7  -5.291   4.146 -13.749
   48    H    ALA   8           H        ALA   8 -10.315   1.365 -12.037
   49    HA   ALA   8           HA       ALA   8 -11.714  -0.003 -10.709
   50   1HB   ALA   8          1HB       ALA   8  -9.937  -2.051 -12.075
   51   2HB   ALA   8          2HB       ALA   8 -11.464  -1.420 -12.689
   52   3HB   ALA   8          3HB       ALA   8 -11.446  -2.434 -11.247
   53    H    PHE   9           H        PHE   9 -11.512  -1.907  -8.987
   54    HA   PHE   9           HA       PHE   9  -9.770  -1.060  -6.900
   55   1HB   PHE   9          1HB       PHE   9 -11.689  -3.195  -7.499
   56   2HB   PHE   9          2HB       PHE   9 -10.415  -3.716  -6.395
   57    HD1  PHE   9           HD1      PHE   9  -9.758  -1.503  -4.755
   58    HD2  PHE   9           HD2      PHE   9 -13.608  -2.568  -6.336
   59    HE1  PHE   9           HE1      PHE   9 -10.859  -0.277  -2.901
   60    HE2  PHE   9           HE2      PHE   9 -14.708  -1.342  -4.483
   61    HZ   PHE   9           HZ       PHE   9 -13.334  -0.196  -2.764
   62    H    GLU  10           H        GLU  10  -7.602  -1.425  -6.638
   63    HA   GLU  10           HA       GLU  10  -6.378  -3.752  -8.088
   64   1HB   GLU  10          1HB       GLU  10  -6.006  -1.016  -8.476
   65   2HB   GLU  10          2HB       GLU  10  -4.619  -1.491  -7.495
   66   1HG   GLU  10          1HG       GLU  10  -5.171  -3.445  -9.583
   67   2HG   GLU  10          2HG       GLU  10  -4.882  -1.840 -10.255
   68    H    THR  11           H        THR  11  -4.288  -4.468  -7.021
   69    HA   THR  11           HA       THR  11  -4.607  -4.395  -4.054
   70    HB   THR  11           HB       THR  11  -2.727  -6.197  -5.540
   71    HG1  THR  11           HG1      THR  11  -4.589  -7.566  -5.898
   72   1HG2  THR  11          1HG2      THR  11  -4.031  -6.042  -2.955
   73   2HG2  THR  11          2HG2      THR  11  -2.698  -7.076  -3.469
   74   3HG2  THR  11          3HG2      THR  11  -4.365  -7.587  -3.735
   75    H    ASP  12           H        ASP  12  -1.983  -5.139  -3.382
   76    HA   ASP  12           HA       ASP  12   0.108  -4.160  -2.879
   77   1HB   ASP  12          1HB       ASP  12   0.527  -4.671  -5.203
   78   2HB   ASP  12          2HB       ASP  12  -0.402  -3.267  -5.731
   79    H    SER  13           H        SER  13  -0.326  -2.635  -1.268
   80    HA   SER  13           HA       SER  13  -1.661  -0.102  -1.819
   81   1HB   SER  13          1HB       SER  13  -0.874  -1.718   0.389
   82   2HB   SER  13          2HB       SER  13  -0.185  -0.116   0.625
   83    HG   SER  13           HG       SER  13  -2.602  -0.796   1.145
   84    H    ASP  14           H        ASP  14   1.467  -0.456  -0.197
   85    HA   ASP  14           HA       ASP  14   2.592   1.616  -2.054
   86   1HB   ASP  14          1HB       ASP  14   2.725   1.260   0.947
   87   2HB   ASP  14          2HB       ASP  14   3.875   2.284   0.085
   88    H    LEU  15           H        LEU  15   2.922  -1.133  -2.570
   89    HA   LEU  15           HA       LEU  15   5.547  -1.949  -1.467
   90   1HB   LEU  15          1HB       LEU  15   3.336  -3.137  -3.115
   91   2HB   LEU  15          2HB       LEU  15   4.923  -3.903  -3.146
   92    HG   LEU  15           HG       LEU  15   3.485  -4.892  -1.395
   93   1HD1  LEU  15          1HD1      LEU  15   5.483  -5.217  -0.403
   94   2HD1  LEU  15          2HD1      LEU  15   5.179  -3.754   0.535
   95   3HD1  LEU  15          3HD1      LEU  15   6.081  -3.661  -0.977
   96   1HD2  LEU  15          1HD2      LEU  15   2.379  -2.502  -1.066
   97   2HD2  LEU  15          2HD2      LEU  15   3.634  -2.336   0.162
   98   3HD2  LEU  15          3HD2      LEU  15   2.459  -3.645   0.274
   99    HA   PRO  16           HA       PRO  16   7.944  -0.750  -4.939
  100   1HB   PRO  16          1HB       PRO  16   9.473  -2.961  -5.468
  101   2HB   PRO  16          2HB       PRO  16   9.738  -1.914  -4.058
  102   1HG   PRO  16          1HG       PRO  16   8.338  -4.537  -4.230
  103   2HG   PRO  16          2HG       PRO  16   9.421  -3.916  -2.973
  104   1HD   PRO  16          1HD       PRO  16   6.720  -3.959  -2.708
  105   2HD   PRO  16          2HD       PRO  16   7.750  -2.738  -1.929
  106    H    ALA  17           H        ALA  17   8.863  -2.235  -7.140
  107    HA   ALA  17           HA       ALA  17   6.336  -2.607  -8.634
  108   1HB   ALA  17          1HB       ALA  17   8.629  -3.030 -10.245
  109   2HB   ALA  17          2HB       ALA  17   9.054  -1.754  -9.105
  110   3HB   ALA  17          3HB       ALA  17   7.646  -1.569 -10.152
  111    H    GLY  18           H        GLY  18   5.493  -4.626  -8.901
  112   1HA   GLY  18          1HA       GLY  18   5.605  -6.910  -9.644
  113   2HA   GLY  18          2HA       GLY  18   7.323  -6.929  -9.263
  114    H    TRP  19           H        TRP  19   5.641  -5.472  -6.744
  115    HA   TRP  19           HA       TRP  19   5.518  -8.075  -5.258
  116   1HB   TRP  19          1HB       TRP  19   6.559  -5.332  -4.618
  117   2HB   TRP  19          2HB       TRP  19   5.977  -6.354  -3.308
  118    HD1  TRP  19           HD1      TRP  19   8.913  -5.791  -5.503
  119    HE1  TRP  19           HE1      TRP  19  10.687  -7.623  -5.121
  120    HE3  TRP  19           HE3      TRP  19   6.180  -9.098  -2.734
  121    HZ2  TRP  19           HZ2      TRP  19  10.914 -10.161  -3.813
  122    HZ3  TRP  19           HZ3      TRP  19   7.198 -11.212  -1.936
  123    HH2  TRP  19           HH2      TRP  19   9.558 -11.746  -2.471
  124    H    MET  20           H        MET  20   3.573  -8.483  -4.208
  125    HA   MET  20           HA       MET  20   1.528  -6.287  -4.248
  126   1HB   MET  20          1HB       MET  20   1.113  -8.111  -5.827
  127   2HB   MET  20          2HB       MET  20   1.244  -9.287  -4.535
  128   1HG   MET  20          1HG       MET  20  -0.758  -8.560  -3.521
  129   2HG   MET  20          2HG       MET  20  -0.755  -7.040  -4.414
  130   1HE   MET  20          1HE       MET  20  -2.085  -6.976  -7.145
  131   2HE   MET  20          2HE       MET  20  -1.031  -8.105  -7.991
  132   3HE   MET  20          3HE       MET  20  -0.356  -7.024  -6.774
  133    H    ARG  21           H        ARG  21  -0.243  -6.727  -2.636
  134    HA   ARG  21           HA       ARG  21   0.878  -7.801  -0.063
  135   1HB   ARG  21          1HB       ARG  21   0.713  -5.334  -0.151
  136   2HB   ARG  21          2HB       ARG  21  -0.996  -5.464  -0.571
  137   1HG   ARG  21          1HG       ARG  21  -1.552  -6.399   1.551
  138   2HG   ARG  21          2HG       ARG  21   0.142  -6.698   1.944
  139   1HD   ARG  21          1HD       ARG  21   0.564  -4.260   2.011
  140   2HD   ARG  21          2HD       ARG  21  -1.144  -3.959   1.632
  141    HE   ARG  21           HE       ARG  21  -0.166  -5.272   4.133
  142   1HH1  ARG  21          1HH1      ARG  21  -2.991  -5.772   2.817
  143   2HH1  ARG  21          2HH1      ARG  21  -3.956  -4.763   3.842
  144   1HH2  ARG  21          1HH2      ARG  21  -1.240  -3.102   5.215
  145   2HH2  ARG  21          2HH2      ARG  21  -2.965  -3.252   5.200
  146    H    VAL  22           H        VAL  22  -0.208  -9.756   0.211
  147    HA   VAL  22           HA       VAL  22  -3.152  -9.788  -0.369
  148    HB   VAL  22           HB       VAL  22  -1.209 -12.092  -0.112
  149   1HG1  VAL  22          1HG1      VAL  22  -4.094 -11.793  -0.710
  150   2HG1  VAL  22          2HG1      VAL  22  -3.224 -13.154   0.001
  151   3HG1  VAL  22          3HG1      VAL  22  -3.212 -12.916  -1.746
  152   1HG2  VAL  22          1HG2      VAL  22  -1.373 -12.100  -2.652
  153   2HG2  VAL  22          2HG2      VAL  22  -0.451 -10.761  -1.968
  154   3HG2  VAL  22          3HG2      VAL  22  -2.102 -10.499  -2.529
  155    H    GLN  23           H        GLN  23  -4.439 -11.143   1.114
  156    HA   GLN  23           HA       GLN  23  -3.332 -11.183   3.904
  157   1HB   GLN  23          1HB       GLN  23  -5.691  -9.979   2.673
  158   2HB   GLN  23          2HB       GLN  23  -6.123 -11.025   4.027
  159   1HG   GLN  23          1HG       GLN  23  -4.749  -9.811   5.542
  160   2HG   GLN  23          2HG       GLN  23  -3.913  -8.975   4.233
  161   1HE2  GLN  23          1HE2      GLN  23  -5.241  -7.545   6.356
  162   2HE2  GLN  23          2HE2      GLN  23  -6.555  -6.708   5.683
  163    H    ASP  24           H        ASP  24  -2.996 -13.335   4.394
  164    HA   ASP  24           HA       ASP  24  -5.030 -15.317   3.439
  165   1HB   ASP  24          1HB       ASP  24  -2.193 -15.153   3.294
  166   2HB   ASP  24          2HB       ASP  24  -2.599 -16.509   4.343
  167    H    THR  25           H        THR  25  -4.823 -17.376   5.041
  168    HA   THR  25           HA       THR  25  -5.934 -16.569   7.560
  169    HB   THR  25           HB       THR  25  -6.261 -18.721   6.252
  170    HG1  THR  25           HG1      THR  25  -6.752 -19.729   8.074
  171   1HG2  THR  25          1HG2      THR  25  -3.954 -19.951   7.618
  172   2HG2  THR  25          2HG2      THR  25  -3.530 -18.848   6.310
  173   3HG2  THR  25          3HG2      THR  25  -4.581 -20.228   5.993
  174    H    SER  26           H        SER  26  -2.643 -17.165   6.513
  175    HA   SER  26           HA       SER  26  -1.594 -17.434   9.250
  176   1HB   SER  26          1HB       SER  26  -0.736 -17.791   6.491
  177   2HB   SER  26          2HB       SER  26   0.482 -16.936   7.432
  178    HG   SER  26           HG       SER  26   0.278 -19.424   7.414
  179    H    GLY  27           H        GLY  27  -2.311 -14.878   7.031
  180   1HA   GLY  27          1HA       GLY  27  -2.261 -12.655   8.422
  181   2HA   GLY  27          2HA       GLY  27  -0.532 -12.994   8.498
  182    H    THR  28           H        THR  28  -1.088 -10.659   7.341
  183    HA   THR  28           HA       THR  28  -1.559 -10.884   4.461
  184    HB   THR  28           HB       THR  28  -0.470  -8.590   6.122
  185    HG1  THR  28           HG1      THR  28  -2.605  -8.043   6.441
  186   1HG2  THR  28          1HG2      THR  28  -0.731  -7.310   4.277
  187   2HG2  THR  28          2HG2      THR  28  -2.288  -8.043   3.891
  188   3HG2  THR  28          3HG2      THR  28  -0.792  -8.830   3.385
  189    H    TYR  29           H        TYR  29   0.033 -11.632   3.114
  190    HA   TYR  29           HA       TYR  29   2.888 -11.100   3.866
  191   1HB   TYR  29          1HB       TYR  29   3.359 -13.151   2.599
  192   2HB   TYR  29          2HB       TYR  29   2.122 -13.468   3.814
  193    HD1  TYR  29           HD1      TYR  29  -0.257 -13.701   3.162
  194    HD2  TYR  29           HD2      TYR  29   2.849 -13.198   0.237
  195    HE1  TYR  29           HE1      TYR  29  -1.808 -14.464   1.383
  196    HE2  TYR  29           HE2      TYR  29   1.299 -13.962  -1.541
  197    HH   TYR  29           HH       TYR  29  -1.571 -13.911  -1.623
  198    H    TYR  30           H        TYR  30   3.804 -11.900   1.200
  199    HA   TYR  30           HA       TYR  30   2.733  -9.652  -0.469
  200   1HB   TYR  30          1HB       TYR  30   5.584 -10.396   0.231
  201   2HB   TYR  30          2HB       TYR  30   5.182  -9.294  -1.085
  202    HD1  TYR  30           HD1      TYR  30   4.033  -7.138  -0.613
  203    HD2  TYR  30           HD2      TYR  30   5.381  -9.727   2.538
  204    HE1  TYR  30           HE1      TYR  30   3.817  -5.275   1.010
  205    HE2  TYR  30           HE2      TYR  30   5.165  -7.865   4.161
  206    HH   TYR  30           HH       TYR  30   3.829  -5.723   4.333
  207    H    TRP  31           H        TRP  31   2.508 -10.164  -2.643
  208    HA   TRP  31           HA       TRP  31   3.364 -12.912  -3.479
  209   1HB   TRP  31          1HB       TRP  31   0.999 -12.681  -3.550
  210   2HB   TRP  31          2HB       TRP  31   1.095 -11.065  -4.226
  211    HD1  TRP  31           HD1      TRP  31   3.402 -13.628  -5.721
  212    HE1  TRP  31           HE1      TRP  31   2.588 -14.244  -8.088
  213    HE3  TRP  31           HE3      TRP  31  -1.165 -11.343  -5.709
  214    HZ2  TRP  31           HZ2      TRP  31   0.304 -13.824  -9.756
  215    HZ3  TRP  31           HZ3      TRP  31  -2.638 -11.469  -7.698
  216    HH2  TRP  31           HH2      TRP  31  -1.911 -12.706  -9.719
  217    H    HIS  32           H        HIS  32   5.044 -12.927  -4.900
  218    HA   HIS  32           HA       HIS  32   5.969 -10.468  -6.177
  219   1HB   HIS  32          1HB       HIS  32   7.223 -12.577  -5.182
  220   2HB   HIS  32          2HB       HIS  32   6.992 -13.223  -6.804
  221    HD1  HIS  32           HD1      HIS  32   7.543  -9.539  -6.266
  222    HD2  HIS  32           HD2      HIS  32   9.737 -12.869  -7.478
  223    HE1  HIS  32           HE1      HIS  32   9.715  -8.658  -7.220
  224    H    ILE  33           H        ILE  33   4.638  -9.798  -7.818
  225    HA   ILE  33           HA       ILE  33   3.125 -11.434  -9.583
  226    HB   ILE  33           HB       ILE  33   4.206  -8.612  -9.685
  227   1HG1  ILE  33          1HG1      ILE  33   1.521  -9.859  -9.001
  228   2HG1  ILE  33          2HG1      ILE  33   2.611  -9.019  -7.898
  229   1HG2  ILE  33          1HG2      ILE  33   3.616  -8.579 -11.866
  230   2HG2  ILE  33          2HG2      ILE  33   1.947  -8.783 -11.332
  231   3HG2  ILE  33          3HG2      ILE  33   2.913 -10.193 -11.766
  232   1HD1  ILE  33          1HD1      ILE  33   0.617  -7.917  -9.711
  233   2HD1  ILE  33          2HD1      ILE  33   2.206  -7.199  -9.977
  234   3HD1  ILE  33          3HD1      ILE  33   1.466  -7.137  -8.376
  235    HA   PRO  34           HA       PRO  34   6.714 -10.787 -12.704
  236   1HB   PRO  34          1HB       PRO  34   9.230 -10.473 -11.676
  237   2HB   PRO  34          2HB       PRO  34   8.162  -9.113 -12.073
  238   1HG   PRO  34          1HG       PRO  34   8.775 -10.330  -9.435
  239   2HG   PRO  34          2HG       PRO  34   8.501  -8.636  -9.862
  240   1HD   PRO  34          1HD       PRO  34   6.646 -10.233  -8.658
  241   2HD   PRO  34          2HD       PRO  34   6.236  -8.818  -9.648
  242    H    THR  35           H        THR  35   8.415 -12.152  -9.838
  243    HA   THR  35           HA       THR  35   9.069 -14.573 -11.381
  244    HB   THR  35           HB       THR  35   9.613 -14.411  -8.495
  245    HG1  THR  35           HG1      THR  35  11.362 -12.825  -9.240
  246   1HG2  THR  35          1HG2      THR  35  11.191 -15.837  -9.209
  247   2HG2  THR  35          2HG2      THR  35  11.947 -14.515 -10.098
  248   3HG2  THR  35          3HG2      THR  35  10.736 -15.528 -10.885
  249    H    GLY  36           H        GLY  36   6.966 -13.670  -8.664
  250   1HA   GLY  36          1HA       GLY  36   4.857 -14.869  -8.315
  251   2HA   GLY  36          2HA       GLY  36   5.619 -16.313  -8.978
  252    H    THR  37           H        THR  37   8.012 -15.170  -7.164
  253    HA   THR  37           HA       THR  37   7.809 -17.112  -5.097
  254    HB   THR  37           HB       THR  37   9.256 -14.527  -4.679
  255    HG1  THR  37           HG1      THR  37   9.951 -16.456  -6.636
  256   1HG2  THR  37          1HG2      THR  37   9.589 -17.409  -4.086
  257   2HG2  THR  37          2HG2      THR  37  10.018 -16.000  -3.117
  258   3HG2  THR  37          3HG2      THR  37  11.067 -16.512  -4.440
  259    H    THR  38           H        THR  38   7.255 -16.854  -2.852
  260    HA   THR  38           HA       THR  38   5.524 -14.469  -2.267
  261    HB   THR  38           HB       THR  38   4.720 -16.536  -0.595
  262    HG1  THR  38           HG1      THR  38   4.918 -18.369  -1.640
  263   1HG2  THR  38          1HG2      THR  38   2.730 -16.136  -1.609
  264   2HG2  THR  38          2HG2      THR  38   3.376 -16.469  -3.215
  265   3HG2  THR  38          3HG2      THR  38   3.609 -14.882  -2.482
  266    H    GLN  39           H        GLN  39   5.643 -13.673  -0.064
  267    HA   GLN  39           HA       GLN  39   7.828 -14.804   1.630
  268   1HB   GLN  39          1HB       GLN  39   7.519 -11.893   0.822
  269   2HB   GLN  39          2HB       GLN  39   8.794 -12.559   1.845
  270   1HG   GLN  39          1HG       GLN  39   9.122 -14.172  -0.261
  271   2HG   GLN  39          2HG       GLN  39   8.414 -12.795  -1.107
  272   1HE2  GLN  39          1HE2      GLN  39  11.361 -14.048  -0.084
  273   2HE2  GLN  39          2HE2      GLN  39  12.263 -12.610  -0.057
  274    H    TRP  40           H        TRP  40   7.574 -12.236   3.233
  275    HA   TRP  40           HA       TRP  40   4.805 -12.423   4.289
  276   1HB   TRP  40          1HB       TRP  40   7.357 -13.162   5.746
  277   2HB   TRP  40          2HB       TRP  40   5.852 -12.802   6.594
  278    HD1  TRP  40           HD1      TRP  40   7.628 -15.509   4.734
  279    HE1  TRP  40           HE1      TRP  40   6.114 -17.586   4.545
  280    HE3  TRP  40           HE3      TRP  40   3.197 -13.518   6.309
  281    HZ2  TRP  40           HZ2      TRP  40   3.383 -18.309   5.001
  282    HZ3  TRP  40           HZ3      TRP  40   1.158 -14.922   6.422
  283    HH2  TRP  40           HH2      TRP  40   1.245 -17.313   5.770
  284    H    GLU  41           H        GLU  41   8.044 -10.967   4.527
  285    HA   GLU  41           HA       GLU  41   6.874  -8.516   5.753
  286   1HB   GLU  41          1HB       GLU  41   9.758  -9.254   5.169
  287   2HB   GLU  41          2HB       GLU  41   9.184  -8.010   6.281
  288   1HG   GLU  41          1HG       GLU  41   8.037  -9.812   7.603
  289   2HG   GLU  41          2HG       GLU  41   8.804 -11.006   6.555
  290    HA   PRO  42           HA       PRO  42   7.153  -6.227   2.020
  291   1HB   PRO  42          1HB       PRO  42   7.950  -3.770   2.920
  292   2HB   PRO  42          2HB       PRO  42   6.318  -4.414   3.188
  293   1HG   PRO  42          1HG       PRO  42   8.628  -4.276   5.053
  294   2HG   PRO  42          2HG       PRO  42   6.900  -4.065   5.374
  295   1HD   PRO  42          1HD       PRO  42   8.302  -6.353   5.942
  296   2HD   PRO  42          2HD       PRO  42   6.550  -6.302   5.649
  297    HA   PRO  43           HA       PRO  43  11.457  -6.597   0.958
  298   1HB   PRO  43          1HB       PRO  43  11.178  -6.005  -1.698
  299   2HB   PRO  43          2HB       PRO  43  10.735  -7.579  -1.009
  300   1HG   PRO  43          1HG       PRO  43   9.000  -5.295  -1.778
  301   2HG   PRO  43          2HG       PRO  43   8.703  -7.034  -1.908
  302   1HD   PRO  43          1HD       PRO  43   7.649  -5.424   0.052
  303   2HD   PRO  43          2HD       PRO  43   7.885  -7.178   0.213
  304    H    GLY  44           H        GLY  44  13.045  -5.103  -0.366
  305   1HA   GLY  44          1HA       GLY  44  12.256  -2.254  -0.332
  306   2HA   GLY  44          2HA       GLY  44  13.565  -2.718   0.756
  307    H    ARG  45           H        ARG  45  15.297  -4.153  -0.444
  308    HA   ARG  45           HA       ARG  45  16.496  -2.551  -2.497
  309   1HB   ARG  45          1HB       ARG  45  16.923  -5.187  -1.164
  310   2HB   ARG  45          2HB       ARG  45  17.783  -4.908  -2.679
  311   1HG   ARG  45          1HG       ARG  45  18.650  -2.761  -1.748
  312   2HG   ARG  45          2HG       ARG  45  17.870  -3.145  -0.213
  313   1HD   ARG  45          1HD       ARG  45  19.213  -5.244  -0.081
  314   2HD   ARG  45          2HD       ARG  45  20.048  -4.771  -1.575
  315    HE   ARG  45           HE       ARG  45  20.015  -2.830   0.679
  316   1HH1  ARG  45          1HH1      ARG  45  21.778  -5.531   0.362
  317   2HH1  ARG  45          2HH1      ARG  45  23.302  -4.778   0.034
  318   1HH2  ARG  45          1HH2      ARG  45  21.936  -1.633  -0.485
  319   2HH2  ARG  45          2HH2      ARG  45  23.392  -2.570  -0.445
  320    H    ALA  46           H        ALA  46  16.746  -3.044  -4.761
  321    HA   ALA  46           HA       ALA  46  14.962  -5.169  -5.866
  322   1HB   ALA  46          1HB       ALA  46  14.352  -3.279  -7.581
  323   2HB   ALA  46          2HB       ALA  46  14.908  -2.192  -6.309
  324   3HB   ALA  46          3HB       ALA  46  13.561  -3.289  -6.005
  325    H    SER  47           H        SER  47  16.433  -6.411  -6.984
  326    HA   SER  47           HA       SER  47  18.954  -5.563  -7.980
  327   1HB   SER  47          1HB       SER  47  18.813  -7.847  -7.905
  328   2HB   SER  47          2HB       SER  47  17.087  -7.846  -8.251
  329    HG   SER  47           HG       SER  47  19.276  -7.891  -9.969
  330    HA   PRO  48           HA       PRO  48  16.905  -5.060 -12.273
  331   1HB   PRO  48          1HB       PRO  48  14.180  -5.257 -12.433
  332   2HB   PRO  48          2HB       PRO  48  15.260  -6.656 -12.595
  333   1HG   PRO  48          1HG       PRO  48  13.659  -5.763 -10.252
  334   2HG   PRO  48          2HG       PRO  48  13.988  -7.401 -10.837
  335   1HD   PRO  48          1HD       PRO  48  15.278  -6.264  -8.715
  336   2HD   PRO  48          2HD       PRO  48  15.989  -7.532  -9.737
  337    H    SER  49           H        SER  49  15.981  -3.106 -13.261
  338    HA   SER  49           HA       SER  49  15.306  -1.021 -11.226
  339   1HB   SER  49          1HB       SER  49  16.656   0.321 -12.476
  340   2HB   SER  49          2HB       SER  49  17.203  -1.174 -13.230
  341    HG   SER  49           HG       SER  49  16.030  -0.742 -14.955
  342    H    GLN  50           H        GLN  50  13.792   0.737 -12.150
  343    HA   GLN  50           HA       GLN  50  11.305  -0.500 -13.003
  344   1HB   GLN  50          1HB       GLN  50  12.311   2.304 -12.497
  345   2HB   GLN  50          2HB       GLN  50  10.667   2.008 -13.065
  346   1HG   GLN  50          1HG       GLN  50  10.136   0.703 -11.126
  347   2HG   GLN  50          2HG       GLN  50  11.825   0.652 -10.621
  348   1HE2  GLN  50          1HE2      GLN  50  10.004   1.640  -8.766
  349   2HE2  GLN  50          2HE2      GLN  50  10.171   3.322  -8.617
  Start of MODEL   14
    1    H    ASP   1           H        ASP   1 -13.756   3.060  13.820
    2    HA   ASP   1           HA       ASP   1 -16.359   3.042  15.153
    3   1HB   ASP   1          1HB       ASP   1 -17.497   2.913  12.981
    4   2HB   ASP   1          2HB       ASP   1 -16.621   4.439  13.101
    5    H    SER   2           H        SER   2 -16.123   0.983  15.979
    6    HA   SER   2           HA       SER   2 -15.777  -1.354  16.018
    7   1HB   SER   2          1HB       SER   2 -17.165  -0.645  13.746
    8   2HB   SER   2          2HB       SER   2 -15.816  -1.557  13.076
    9    HG   SER   2           HG       SER   2 -17.885  -2.363  14.771
   10    H    PHE   3           H        PHE   3 -13.616  -1.604  16.642
   11    HA   PHE   3           HA       PHE   3 -11.267  -0.858  15.372
   12   1HB   PHE   3          1HB       PHE   3 -12.027  -2.412  17.516
   13   2HB   PHE   3          2HB       PHE   3 -11.236  -3.594  16.472
   14    HD1  PHE   3           HD1      PHE   3 -10.533   0.054  16.865
   15    HD2  PHE   3           HD2      PHE   3  -9.128  -3.960  17.470
   16    HE1  PHE   3           HE1      PHE   3  -8.316   0.933  17.545
   17    HE2  PHE   3           HE2      PHE   3  -6.910  -3.080  18.150
   18    HZ   PHE   3           HZ       PHE   3  -6.505  -0.634  18.187
   19    H    TRP   4           H        TRP   4 -13.349  -3.613  14.575
   20    HA   TRP   4           HA       TRP   4 -11.723  -5.136  12.890
   21   1HB   TRP   4          1HB       TRP   4 -13.947  -5.833  13.377
   22   2HB   TRP   4          2HB       TRP   4 -14.632  -4.317  12.791
   23    HD1  TRP   4           HD1      TRP   4 -15.552  -4.384  10.429
   24    HE1  TRP   4           HE1      TRP   4 -15.228  -5.888   8.359
   25    HE3  TRP   4           HE3      TRP   4 -11.901  -7.503  12.168
   26    HZ2  TRP   4           HZ2      TRP   4 -13.631  -8.120   7.550
   27    HZ3  TRP   4           HZ3      TRP   4 -10.998  -9.307  10.729
   28    HH2  TRP   4           HH2      TRP   4 -11.857  -9.619   8.425
   29    H    ASN   5           H        ASN   5 -11.055  -4.952  10.721
   30    HA   ASN   5           HA       ASN   5 -11.659  -2.352   9.350
   31   1HB   ASN   5          1HB       ASN   5  -9.198  -3.442  10.359
   32   2HB   ASN   5          2HB       ASN   5  -9.096  -3.348   8.601
   33   1HD2  ASN   5          1HD2      ASN   5  -7.569  -1.608  10.334
   34   2HD2  ASN   5          2HD2      ASN   5  -8.128  -0.023  10.102
   35    HA   PRO   6           HA       PRO   6 -12.840  -5.444   6.319
   36   1HB   PRO   6          1HB       PRO   6 -14.186  -3.708   4.689
   37   2HB   PRO   6          2HB       PRO   6 -14.885  -4.372   6.179
   38   1HG   PRO   6          1HG       PRO   6 -13.735  -1.690   5.661
   39   2HG   PRO   6          2HG       PRO   6 -15.077  -2.163   6.712
   40   1HD   PRO   6          1HD       PRO   6 -12.518  -1.579   7.574
   41   2HD   PRO   6          2HD       PRO   6 -13.707  -2.533   8.486
   42    H    ASN   7           H        ASN   7 -13.000  -4.628   3.601
   43    HA   ASN   7           HA       ASN   7 -10.353  -4.861   2.677
   44   1HB   ASN   7          1HB       ASN   7 -12.878  -4.793   1.625
   45   2HB   ASN   7          2HB       ASN   7 -12.218  -3.274   1.017
   46   1HD2  ASN   7          1HD2      ASN   7 -12.772  -5.927  -0.414
   47   2HD2  ASN   7          2HD2      ASN   7 -11.297  -6.315  -1.161
   48    H    ALA   8           H        ALA   8 -12.209  -1.940   3.462
   49    HA   ALA   8           HA       ALA   8 -11.487   0.296   3.741
   50   1HB   ALA   8          1HB       ALA   8  -9.657   0.202   5.063
   51   2HB   ALA   8          2HB       ALA   8  -8.643  -0.208   3.679
   52   3HB   ALA   8          3HB       ALA   8  -9.451  -1.484   4.590
   53    H    PHE   9           H        PHE   9  -9.038   1.436   2.724
   54    HA   PHE   9           HA       PHE   9  -9.785   2.024   0.023
   55   1HB   PHE   9          1HB       PHE   9  -7.818   3.375   0.070
   56   2HB   PHE   9          2HB       PHE   9  -8.392   3.347   1.736
   57    HD1  PHE   9           HD1      PHE   9  -5.707   2.443  -0.531
   58    HD2  PHE   9           HD2      PHE   9  -7.324   1.765   3.390
   59    HE1  PHE   9           HE1      PHE   9  -3.537   1.487   0.199
   60    HE2  PHE   9           HE2      PHE   9  -5.156   0.808   4.119
   61    HZ   PHE   9           HZ       PHE   9  -3.263   0.669   2.524
   62    H    GLU  10           H        GLU  10  -7.303   1.861  -1.334
   63    HA   GLU  10           HA       GLU  10  -7.425  -0.739  -2.506
   64   1HB   GLU  10          1HB       GLU  10  -6.454   1.581  -3.281
   65   2HB   GLU  10          2HB       GLU  10  -4.967   0.997  -2.534
   66   1HG   GLU  10          1HG       GLU  10  -4.545  -0.220  -4.377
   67   2HG   GLU  10          2HG       GLU  10  -6.016  -1.147  -4.076
   68    H    THR  11           H        THR  11  -5.008  -1.876  -2.661
   69    HA   THR  11           HA       THR  11  -4.317  -2.551   0.179
   70    HB   THR  11           HB       THR  11  -3.737  -4.306  -2.186
   71    HG1  THR  11           HG1      THR  11  -6.231  -4.390  -0.903
   72   1HG2  THR  11          1HG2      THR  11  -4.862  -5.745  -0.077
   73   2HG2  THR  11          2HG2      THR  11  -3.889  -4.505   0.715
   74   3HG2  THR  11          3HG2      THR  11  -3.141  -5.605  -0.443
   75    H    ASP  12           H        ASP  12  -1.949  -3.850  -0.167
   76    HA   ASP  12           HA       ASP  12   0.367  -3.449  -0.414
   77   1HB   ASP  12          1HB       ASP  12  -0.034  -3.840  -2.721
   78   2HB   ASP  12          2HB       ASP  12  -0.912  -2.322  -2.910
   79    H    SER  13           H        SER  13   0.601  -1.992   1.387
   80    HA   SER  13           HA       SER  13  -0.088   0.738   1.496
   81   1HB   SER  13          1HB       SER  13   2.063   0.717   3.024
   82   2HB   SER  13          2HB       SER  13   0.658  -0.242   3.481
   83    HG   SER  13           HG       SER  13   1.702  -2.029   2.975
   84    H    ASP  14           H        ASP  14   3.331  -0.142   1.207
   85    HA   ASP  14           HA       ASP  14   3.603   1.642  -1.170
   86   1HB   ASP  14          1HB       ASP  14   4.474   2.092   1.608
   87   2HB   ASP  14          2HB       ASP  14   5.749   2.339   0.413
   88    H    LEU  15           H        LEU  15   3.842  -0.881  -1.760
   89    HA   LEU  15           HA       LEU  15   6.587  -1.885  -1.223
   90   1HB   LEU  15          1HB       LEU  15   4.021  -2.945  -2.403
   91   2HB   LEU  15          2HB       LEU  15   5.532  -3.815  -2.650
   92    HG   LEU  15           HG       LEU  15   4.442  -4.707  -0.669
   93   1HD1  LEU  15          1HD1      LEU  15   6.268  -4.587   0.805
   94   2HD1  LEU  15          2HD1      LEU  15   6.595  -2.900   0.412
   95   3HD1  LEU  15          3HD1      LEU  15   6.992  -4.168  -0.747
   96   1HD2  LEU  15          1HD2      LEU  15   4.539  -1.876   0.423
   97   2HD2  LEU  15          2HD2      LEU  15   3.867  -3.294   1.230
   98   3HD2  LEU  15          3HD2      LEU  15   3.084  -2.646  -0.210
   99    HA   PRO  16           HA       PRO  16   8.209  -0.784  -5.151
  100   1HB   PRO  16          1HB       PRO  16   9.457  -3.077  -5.996
  101   2HB   PRO  16          2HB       PRO  16  10.092  -2.047  -4.696
  102   1HG   PRO  16          1HG       PRO  16   8.542  -4.586  -4.511
  103   2HG   PRO  16          2HG       PRO  16   9.924  -4.037  -3.550
  104   1HD   PRO  16          1HD       PRO  16   7.376  -3.916  -2.645
  105   2HD   PRO  16          2HD       PRO  16   8.623  -2.742  -2.167
  106    H    ALA  17           H        ALA  17   8.456  -2.089  -7.545
  107    HA   ALA  17           HA       ALA  17   5.629  -2.486  -8.327
  108   1HB   ALA  17          1HB       ALA  17   8.111  -1.525  -9.467
  109   2HB   ALA  17          2HB       ALA  17   6.464  -1.300 -10.057
  110   3HB   ALA  17          3HB       ALA  17   7.382  -2.731 -10.526
  111    H    GLY  18           H        GLY  18   4.790  -4.514  -8.510
  112   1HA   GLY  18          1HA       GLY  18   4.873  -6.722  -9.570
  113   2HA   GLY  18          2HA       GLY  18   6.612  -6.741  -9.297
  114    H    TRP  19           H        TRP  19   5.421  -5.470  -6.522
  115    HA   TRP  19           HA       TRP  19   5.241  -8.181  -5.252
  116   1HB   TRP  19          1HB       TRP  19   6.436  -5.530  -4.511
  117   2HB   TRP  19          2HB       TRP  19   5.907  -6.606  -3.219
  118    HD1  TRP  19           HD1      TRP  19   8.676  -6.055  -5.647
  119    HE1  TRP  19           HE1      TRP  19  10.394  -7.970  -5.489
  120    HE3  TRP  19           HE3      TRP  19   6.056  -9.354  -2.762
  121    HZ2  TRP  19           HZ2      TRP  19  10.625 -10.561  -4.298
  122    HZ3  TRP  19           HZ3      TRP  19   7.047 -11.537  -2.133
  123    HH2  TRP  19           HH2      TRP  19   9.326 -12.144  -2.898
  124    H    MET  20           H        MET  20   3.083  -8.599  -4.892
  125    HA   MET  20           HA       MET  20   1.192  -6.398  -4.349
  126   1HB   MET  20          1HB       MET  20   0.625  -8.172  -5.909
  127   2HB   MET  20          2HB       MET  20   0.917  -9.393  -4.687
  128   1HG   MET  20          1HG       MET  20  -0.971  -8.710  -3.415
  129   2HG   MET  20          2HG       MET  20  -1.136  -7.213  -4.332
  130   1HE   MET  20          1HE       MET  20  -3.537  -7.870  -4.230
  131   2HE   MET  20          2HE       MET  20  -3.542  -9.583  -3.822
  132   3HE   MET  20          3HE       MET  20  -4.346  -9.032  -5.290
  133    H    ARG  21           H        ARG  21  -0.450  -6.846  -2.618
  134    HA   ARG  21           HA       ARG  21   0.850  -7.925  -0.135
  135   1HB   ARG  21          1HB       ARG  21   0.542  -5.392  -0.431
  136   2HB   ARG  21          2HB       ARG  21  -1.192  -5.695  -0.317
  137   1HG   ARG  21          1HG       ARG  21  -0.878  -6.748   1.886
  138   2HG   ARG  21          2HG       ARG  21   0.862  -6.471   1.775
  139   1HD   ARG  21          1HD       ARG  21   0.444  -4.016   1.639
  140   2HD   ARG  21          2HD       ARG  21  -1.291  -4.327   1.853
  141    HE   ARG  21           HE       ARG  21   0.314  -5.649   3.884
  142   1HH1  ARG  21          1HH1      ARG  21  -2.409  -4.039   3.877
  143   2HH1  ARG  21          2HH1      ARG  21  -2.011  -2.823   5.045
  144   1HH2  ARG  21          1HH2      ARG  21   1.390  -3.496   4.978
  145   2HH2  ARG  21          2HH2      ARG  21   0.140  -2.515   5.669
  146    H    VAL  22           H        VAL  22  -0.200  -9.902   0.154
  147    HA   VAL  22           HA       VAL  22  -3.166  -9.969  -0.251
  148    HB   VAL  22           HB       VAL  22  -1.272 -12.295   0.091
  149   1HG1  VAL  22          1HG1      VAL  22  -3.829 -12.086  -1.505
  150   2HG1  VAL  22          2HG1      VAL  22  -3.809 -12.548   0.197
  151   3HG1  VAL  22          3HG1      VAL  22  -2.984 -13.549  -0.998
  152   1HG2  VAL  22          1HG2      VAL  22  -2.044 -10.936  -2.511
  153   2HG2  VAL  22          2HG2      VAL  22  -1.007 -12.351  -2.336
  154   3HG2  VAL  22          3HG2      VAL  22  -0.466 -10.783  -1.737
  155    H    GLN  23           H        GLN  23  -4.411 -11.186   1.360
  156    HA   GLN  23           HA       GLN  23  -3.157 -11.146   4.085
  157   1HB   GLN  23          1HB       GLN  23  -5.709 -10.126   2.942
  158   2HB   GLN  23          2HB       GLN  23  -5.801 -10.833   4.555
  159   1HG   GLN  23          1HG       GLN  23  -4.496  -9.193   5.505
  160   2HG   GLN  23          2HG       GLN  23  -3.559  -8.942   4.032
  161   1HE2  GLN  23          1HE2      GLN  23  -4.511  -7.562   2.341
  162   2HE2  GLN  23          2HE2      GLN  23  -5.787  -6.502   2.702
  163    H    ASP  24           H        ASP  24  -2.618 -13.473   3.597
  164    HA   ASP  24           HA       ASP  24  -4.725 -15.404   3.127
  165   1HB   ASP  24          1HB       ASP  24  -1.887 -15.259   3.307
  166   2HB   ASP  24          2HB       ASP  24  -2.430 -16.534   4.394
  167    H    THR  25           H        THR  25  -5.551 -16.943   4.690
  168    HA   THR  25           HA       THR  25  -6.521 -15.997   7.110
  169    HB   THR  25           HB       THR  25  -6.769 -18.393   7.676
  170    HG1  THR  25           HG1      THR  25  -4.899 -19.322   7.143
  171   1HG2  THR  25          1HG2      THR  25  -8.301 -18.702   6.030
  172   2HG2  THR  25          2HG2      THR  25  -7.095 -18.541   4.752
  173   3HG2  THR  25          3HG2      THR  25  -7.797 -17.101   5.487
  174    H    SER  26           H        SER  26  -3.284 -17.194   6.428
  175    HA   SER  26           HA       SER  26  -2.478 -17.497   9.207
  176   1HB   SER  26          1HB       SER  26  -1.420 -17.823   6.514
  177   2HB   SER  26          2HB       SER  26  -0.224 -17.110   7.590
  178    HG   SER  26           HG       SER  26  -0.559 -18.837   9.012
  179    H    GLY  27           H        GLY  27  -2.038 -14.981   6.726
  180   1HA   GLY  27          1HA       GLY  27  -2.150 -12.779   8.464
  181   2HA   GLY  27          2HA       GLY  27  -0.450 -13.244   8.385
  182    H    THR  28           H        THR  28  -0.631 -10.876   7.401
  183    HA   THR  28           HA       THR  28  -1.376 -10.922   4.531
  184    HB   THR  28           HB       THR  28  -0.336  -8.749   6.378
  185    HG1  THR  28           HG1      THR  28  -2.326  -9.206   7.061
  186   1HG2  THR  28          1HG2      THR  28  -0.555  -7.244   4.657
  187   2HG2  THR  28          2HG2      THR  28  -1.851  -8.158   3.885
  188   3HG2  THR  28          3HG2      THR  28  -0.175  -8.674   3.697
  189    H    TYR  29           H        TYR  29   0.185 -11.698   3.158
  190    HA   TYR  29           HA       TYR  29   3.051 -11.094   3.808
  191   1HB   TYR  29          1HB       TYR  29   3.532 -13.152   2.575
  192   2HB   TYR  29          2HB       TYR  29   2.315 -13.479   3.808
  193    HD1  TYR  29           HD1      TYR  29   3.002 -13.242   0.227
  194    HD2  TYR  29           HD2      TYR  29  -0.070 -13.752   3.183
  195    HE1  TYR  29           HE1      TYR  29   1.448 -14.045  -1.531
  196    HE2  TYR  29           HE2      TYR  29  -1.626 -14.556   1.427
  197    HH   TYR  29           HH       TYR  29  -1.212 -15.734  -0.995
  198    H    TYR  30           H        TYR  30   3.981 -11.839   1.188
  199    HA   TYR  30           HA       TYR  30   2.771  -9.704  -0.537
  200   1HB   TYR  30          1HB       TYR  30   5.683 -10.302   0.074
  201   2HB   TYR  30          2HB       TYR  30   5.146  -9.152  -1.150
  202    HD1  TYR  30           HD1      TYR  30   3.857  -7.124  -0.487
  203    HD2  TYR  30           HD2      TYR  30   5.589  -9.774   2.415
  204    HE1  TYR  30           HE1      TYR  30   3.602  -5.379   1.256
  205    HE2  TYR  30           HE2      TYR  30   5.333  -8.030   4.159
  206    HH   TYR  30           HH       TYR  30   4.880  -5.854   4.528
  207    H    TRP  31           H        TRP  31   2.802 -10.174  -2.782
  208    HA   TRP  31           HA       TRP  31   3.630 -12.972  -3.487
  209   1HB   TRP  31          1HB       TRP  31   1.239 -12.641  -3.585
  210   2HB   TRP  31          2HB       TRP  31   1.433 -11.138  -4.476
  211    HD1  TRP  31           HD1      TRP  31   3.786 -13.791  -5.582
  212    HE1  TRP  31           HE1      TRP  31   3.024 -14.771  -7.842
  213    HE3  TRP  31           HE3      TRP  31  -0.894 -11.772  -5.885
  214    HZ2  TRP  31           HZ2      TRP  31   0.732 -14.705  -9.552
  215    HZ3  TRP  31           HZ3      TRP  31  -2.344 -12.246  -7.838
  216    HH2  TRP  31           HH2      TRP  31  -1.537 -13.708  -9.670
  217    H    HIS  32           H        HIS  32   5.409 -12.996  -4.801
  218    HA   HIS  32           HA       HIS  32   6.345 -10.605  -6.183
  219   1HB   HIS  32          1HB       HIS  32   7.624 -12.601  -5.105
  220   2HB   HIS  32          2HB       HIS  32   7.297 -13.438  -6.624
  221    HD1  HIS  32           HD1      HIS  32  10.096 -12.095  -5.394
  222    HD2  HIS  32           HD2      HIS  32   7.819 -10.870  -8.659
  223    HE1  HIS  32           HE1      HIS  32  11.639 -10.731  -6.868
  224    H    ILE  33           H        ILE  33   4.448 -10.222  -7.531
  225    HA   ILE  33           HA       ILE  33   3.217 -11.929  -9.359
  226    HB   ILE  33           HB       ILE  33   3.844  -8.978  -9.309
  227   1HG1  ILE  33          1HG1      ILE  33   1.351 -10.658  -8.871
  228   2HG1  ILE  33          2HG1      ILE  33   2.271  -9.802  -7.631
  229   1HG2  ILE  33          1HG2      ILE  33   1.943  -8.910 -11.087
  230   2HG2  ILE  33          2HG2      ILE  33   2.393 -10.585 -11.411
  231   3HG2  ILE  33          3HG2      ILE  33   3.576  -9.294 -11.631
  232   1HD1  ILE  33          1HD1      ILE  33   0.106  -8.698  -8.637
  233   2HD1  ILE  33          2HD1      ILE  33   1.175  -8.272  -9.972
  234   3HD1  ILE  33          3HD1      ILE  33   1.533  -7.707  -8.341
  235    HA   PRO  34           HA       PRO  34   6.335 -10.653 -12.769
  236   1HB   PRO  34          1HB       PRO  34   8.752  -9.632 -11.978
  237   2HB   PRO  34          2HB       PRO  34   7.339  -8.626 -12.356
  238   1HG   PRO  34          1HG       PRO  34   8.399  -9.481  -9.711
  239   2HG   PRO  34          2HG       PRO  34   7.723  -7.923 -10.204
  240   1HD   PRO  34          1HD       PRO  34   6.313  -9.755  -8.778
  241   2HD   PRO  34          2HD       PRO  34   5.553  -8.614  -9.911
  242    H    THR  35           H        THR  35   7.124 -12.273  -9.843
  243    HA   THR  35           HA       THR  35   9.041 -14.029 -11.332
  244    HB   THR  35           HB       THR  35   8.863 -13.395  -8.400
  245    HG1  THR  35           HG1      THR  35  10.643 -12.581 -10.438
  246   1HG2  THR  35          1HG2      THR  35  10.047 -15.294  -8.157
  247   2HG2  THR  35          2HG2      THR  35  11.360 -14.475  -9.003
  248   3HG2  THR  35          3HG2      THR  35  10.220 -15.475  -9.903
  249    H    GLY  36           H        GLY  36   7.289 -14.404  -8.262
  250   1HA   GLY  36          1HA       GLY  36   5.152 -15.930  -8.634
  251   2HA   GLY  36          2HA       GLY  36   6.380 -17.076  -9.180
  252    H    THR  37           H        THR  37   8.209 -15.666  -7.105
  253    HA   THR  37           HA       THR  37   7.795 -17.597  -4.972
  254    HB   THR  37           HB       THR  37   9.525 -15.121  -4.939
  255    HG1  THR  37           HG1      THR  37  11.023 -16.856  -5.901
  256   1HG2  THR  37          1HG2      THR  37  11.040 -17.068  -3.926
  257   2HG2  THR  37          2HG2      THR  37   9.460 -17.763  -3.566
  258   3HG2  THR  37          3HG2      THR  37   9.891 -16.174  -2.932
  259    H    THR  38           H        THR  38   7.465 -16.938  -2.684
  260    HA   THR  38           HA       THR  38   5.769 -14.471  -2.446
  261    HB   THR  38           HB       THR  38   5.057 -16.257  -0.414
  262    HG1  THR  38           HG1      THR  38   4.896 -18.216  -1.382
  263   1HG2  THR  38          1HG2      THR  38   3.254 -15.220  -1.366
  264   2HG2  THR  38          2HG2      THR  38   3.167 -16.722  -2.285
  265   3HG2  THR  38          3HG2      THR  38   3.934 -15.299  -2.990
  266    H    GLN  39           H        GLN  39   5.700 -13.705  -0.066
  267    HA   GLN  39           HA       GLN  39   8.176 -14.336   1.458
  268   1HB   GLN  39          1HB       GLN  39   7.369 -11.589   0.444
  269   2HB   GLN  39          2HB       GLN  39   8.727 -11.907   1.526
  270   1HG   GLN  39          1HG       GLN  39   9.510 -13.573  -0.311
  271   2HG   GLN  39          2HG       GLN  39   8.403 -12.691  -1.364
  272   1HE2  GLN  39          1HE2      GLN  39  11.572 -12.783  -0.826
  273   2HE2  GLN  39          2HE2      GLN  39  11.978 -11.138  -0.922
  274    H    TRP  40           H        TRP  40   7.793 -11.940   3.129
  275    HA   TRP  40           HA       TRP  40   5.073 -12.303   4.275
  276   1HB   TRP  40          1HB       TRP  40   7.718 -13.041   5.521
  277   2HB   TRP  40          2HB       TRP  40   6.347 -12.600   6.537
  278    HD1  TRP  40           HD1      TRP  40   7.827 -15.466   4.757
  279    HE1  TRP  40           HE1      TRP  40   6.187 -17.455   4.710
  280    HE3  TRP  40           HE3      TRP  40   3.550 -13.120   6.273
  281    HZ2  TRP  40           HZ2      TRP  40   3.426 -17.982   5.245
  282    HZ3  TRP  40           HZ3      TRP  40   1.432 -14.389   6.494
  283    HH2  TRP  40           HH2      TRP  40   1.365 -16.814   5.984
  284    H    GLU  41           H        GLU  41   8.248 -10.687   4.551
  285    HA   GLU  41           HA       GLU  41   6.942  -8.333   5.826
  286   1HB   GLU  41          1HB       GLU  41   9.747  -9.370   5.453
  287   2HB   GLU  41          2HB       GLU  41   9.478  -7.694   5.925
  288   1HG   GLU  41          1HG       GLU  41   7.784  -9.348   7.528
  289   2HG   GLU  41          2HG       GLU  41   9.417 -10.015   7.584
  290    HA   PRO  42           HA       PRO  42   7.157  -5.858   2.213
  291   1HB   PRO  42          1HB       PRO  42   8.036  -3.453   3.178
  292   2HB   PRO  42          2HB       PRO  42   6.405  -4.080   3.488
  293   1HG   PRO  42          1HG       PRO  42   8.796  -4.075   5.255
  294   2HG   PRO  42          2HG       PRO  42   7.092  -3.820   5.660
  295   1HD   PRO  42          1HD       PRO  42   8.420  -6.170   6.093
  296   2HD   PRO  42          2HD       PRO  42   6.665  -6.058   5.835
  297    HA   PRO  43           HA       PRO  43  11.514  -6.436   1.232
  298   1HB   PRO  43          1HB       PRO  43  11.149  -6.493  -1.480
  299   2HB   PRO  43          2HB       PRO  43  10.844  -7.895  -0.435
  300   1HG   PRO  43          1HG       PRO  43   8.917  -5.965  -1.623
  301   2HG   PRO  43          2HG       PRO  43   8.765  -7.713  -1.388
  302   1HD   PRO  43          1HD       PRO  43   7.588  -5.855   0.235
  303   2HD   PRO  43          2HD       PRO  43   8.039  -7.490   0.769
  304    H    GLY  44           H        GLY  44  10.389  -4.769  -1.629
  305   1HA   GLY  44          1HA       GLY  44  11.153  -2.729  -2.535
  306   2HA   GLY  44          2HA       GLY  44  10.544  -2.081  -1.011
  307    H    ARG  45           H        ARG  45  13.412  -3.857  -2.220
  308    HA   ARG  45           HA       ARG  45  15.225  -3.266  -0.176
  309   1HB   ARG  45          1HB       ARG  45  15.387  -3.645  -3.152
  310   2HB   ARG  45          2HB       ARG  45  16.851  -3.224  -2.263
  311   1HG   ARG  45          1HG       ARG  45  15.757  -5.198  -0.681
  312   2HG   ARG  45          2HG       ARG  45  15.351  -5.752  -2.306
  313   1HD   ARG  45          1HD       ARG  45  17.482  -6.472  -2.555
  314   2HD   ARG  45          2HD       ARG  45  18.046  -4.799  -2.374
  315    HE   ARG  45           HE       ARG  45  17.837  -5.251   0.160
  316   1HH1  ARG  45          1HH1      ARG  45  19.835  -6.842  -1.870
  317   2HH1  ARG  45          2HH1      ARG  45  20.009  -8.284  -0.925
  318   1HH2  ARG  45          1HH2      ARG  45  17.434  -7.485   1.254
  319   2HH2  ARG  45          2HH2      ARG  45  18.649  -8.647   0.843
  320    H    ALA  46           H        ALA  46  15.805  -1.527  -3.178
  321    HA   ALA  46           HA       ALA  46  15.210   1.123  -2.173
  322   1HB   ALA  46          1HB       ALA  46  18.150   0.726  -2.358
  323   2HB   ALA  46          2HB       ALA  46  17.360  -0.022  -0.970
  324   3HB   ALA  46          3HB       ALA  46  17.220   1.717  -1.234
  325    H    SER  47           H        SER  47  16.920   2.688  -3.575
  326    HA   SER  47           HA       SER  47  17.222   1.557  -6.310
  327   1HB   SER  47          1HB       SER  47  14.934   2.858  -5.549
  328   2HB   SER  47          2HB       SER  47  15.896   4.197  -6.169
  329    HG   SER  47           HG       SER  47  14.698   3.189  -7.825
  330    HA   PRO  48           HA       PRO  48  20.603   4.439  -5.092
  331   1HB   PRO  48          1HB       PRO  48  22.625   2.849  -6.029
  332   2HB   PRO  48          2HB       PRO  48  21.941   2.681  -4.400
  333   1HG   PRO  48          1HG       PRO  48  21.437   1.060  -6.840
  334   2HG   PRO  48          2HG       PRO  48  21.554   0.551  -5.149
  335   1HD   PRO  48          1HD       PRO  48  19.188   0.866  -6.492
  336   2HD   PRO  48          2HD       PRO  48  19.356   1.003  -4.728
  337    H    SER  49           H        SER  49  22.497   5.151  -6.689
  338    HA   SER  49           HA       SER  49  21.627   4.959  -9.538
  339   1HB   SER  49          1HB       SER  49  20.821   7.010  -7.973
  340   2HB   SER  49          2HB       SER  49  22.388   7.637  -8.476
  341    HG   SER  49           HG       SER  49  20.276   7.856  -9.839
  342    H    GLN  50           H        GLN  50  23.855   3.653  -8.509
  343    HA   GLN  50           HA       GLN  50  26.138   5.364  -9.446
  344   1HB   GLN  50          1HB       GLN  50  26.003   4.756  -6.987
  345   2HB   GLN  50          2HB       GLN  50  26.193   3.068  -7.466
  346   1HG   GLN  50          1HG       GLN  50  28.313   3.752  -8.671
  347   2HG   GLN  50          2HG       GLN  50  28.156   5.330  -7.900
  348   1HE2  GLN  50          1HE2      GLN  50  29.294   5.486  -5.969
  349   2HE2  GLN  50          2HE2      GLN  50  29.646   4.190  -4.932
  Start of MODEL   15
    1    H    ASP   1           H        ASP   1   3.991  -1.860  13.416
    2    HA   ASP   1           HA       ASP   1   6.130  -2.926  14.353
    3   1HB   ASP   1          1HB       ASP   1   6.970  -0.575  12.777
    4   2HB   ASP   1          2HB       ASP   1   7.693  -0.664  14.383
    5    H    SER   2           H        SER   2   3.845  -2.312  15.518
    6    HA   SER   2           HA       SER   2   4.607  -0.507  17.741
    7   1HB   SER   2          1HB       SER   2   2.540   0.006  15.649
    8   2HB   SER   2          2HB       SER   2   2.148   0.470  17.302
    9    HG   SER   2           HG       SER   2   3.228   2.131  16.114
   10    H    PHE   3           H        PHE   3   2.415  -0.444  19.232
   11    HA   PHE   3           HA       PHE   3   1.476  -3.289  19.428
   12   1HB   PHE   3          1HB       PHE   3   1.429  -2.731  21.918
   13   2HB   PHE   3          2HB       PHE   3   3.035  -2.785  21.191
   14    HD1  PHE   3           HD1      PHE   3   0.400  -0.603  22.552
   15    HD2  PHE   3           HD2      PHE   3   4.313  -0.743  20.785
   16    HE1  PHE   3           HE1      PHE   3   0.791   1.751  23.230
   17    HE2  PHE   3           HE2      PHE   3   4.703   1.611  21.463
   18    HZ   PHE   3           HZ       PHE   3   2.943   2.857  22.685
   19    H    TRP   4           H        TRP   4   0.628   0.095  19.443
   20    HA   TRP   4           HA       TRP   4  -1.828   0.276  20.691
   21   1HB   TRP   4          1HB       TRP   4  -0.605   1.381  18.202
   22   2HB   TRP   4          2HB       TRP   4  -2.326   1.676  18.451
   23    HD1  TRP   4           HD1      TRP   4   0.890   3.148  19.225
   24    HE1  TRP   4           HE1      TRP   4   0.730   4.799  21.199
   25    HE3  TRP   4           HE3      TRP   4  -3.697   1.873  21.069
   26    HZ2  TRP   4           HZ2      TRP   4  -1.103   5.486  23.285
   27    HZ3  TRP   4           HZ3      TRP   4  -4.626   3.041  23.049
   28    HH2  TRP   4           HH2      TRP   4  -3.336   4.845  24.157
   29    H    ASN   5           H        ASN   5  -2.131   0.041  17.196
   30    HA   ASN   5           HA       ASN   5  -3.511  -2.539  17.225
   31   1HB   ASN   5          1HB       ASN   5  -4.888  -0.164  17.963
   32   2HB   ASN   5          2HB       ASN   5  -5.461  -0.606  16.354
   33   1HD2  ASN   5          1HD2      ASN   5  -7.251  -1.954  16.473
   34   2HD2  ASN   5          2HD2      ASN   5  -7.510  -3.137  17.664
   35    HA   PRO   6           HA       PRO   6  -1.934  -1.405  13.122
   36   1HB   PRO   6          1HB       PRO   6  -1.266  -3.962  12.414
   37   2HB   PRO   6          2HB       PRO   6  -0.213  -2.928  13.398
   38   1HG   PRO   6          1HG       PRO   6  -1.981  -5.160  14.225
   39   2HG   PRO   6          2HG       PRO   6  -0.416  -4.654  14.876
   40   1HD   PRO   6          1HD       PRO   6  -2.860  -4.106  16.033
   41   2HD   PRO   6          2HD       PRO   6  -1.366  -3.196  16.340
   42    H    ASN   7           H        ASN   7  -2.389  -3.342  11.081
   43    HA   ASN   7           HA       ASN   7  -4.102  -4.060   9.621
   44   1HB   ASN   7          1HB       ASN   7  -4.395  -5.623  11.522
   45   2HB   ASN   7          2HB       ASN   7  -5.474  -4.464  12.300
   46   1HD2  ASN   7          1HD2      ASN   7  -5.187  -6.723   9.580
   47   2HD2  ASN   7          2HD2      ASN   7  -6.835  -6.715   9.173
   48    H    ALA   8           H        ALA   8  -3.960  -1.211  10.285
   49    HA   ALA   8           HA       ALA   8  -6.402  -0.279   9.150
   50   1HB   ALA   8          1HB       ALA   8  -7.132   0.815  11.454
   51   2HB   ALA   8          2HB       ALA   8  -6.233  -0.540  12.135
   52   3HB   ALA   8          3HB       ALA   8  -7.604  -0.839  11.067
   53    H    PHE   9           H        PHE   9  -3.515   0.245   9.071
   54    HA   PHE   9           HA       PHE   9  -3.506   3.141   9.865
   55   1HB   PHE   9          1HB       PHE   9  -1.755   0.919  10.451
   56   2HB   PHE   9          2HB       PHE   9  -0.866   2.153   9.558
   57    HD1  PHE   9           HD1      PHE   9  -1.867   1.144  12.765
   58    HD2  PHE   9           HD2      PHE   9  -1.427   4.662  10.339
   59    HE1  PHE   9           HE1      PHE   9  -1.741   2.538  14.811
   60    HE2  PHE   9           HE2      PHE   9  -1.301   6.057  12.387
   61    HZ   PHE   9           HZ       PHE   9  -1.459   4.994  14.623
   62    H    GLU  10           H        GLU  10  -4.499   3.305   7.583
   63    HA   GLU  10           HA       GLU  10  -4.244   3.835   5.293
   64   1HB   GLU  10          1HB       GLU  10  -2.710   5.439   6.435
   65   2HB   GLU  10          2HB       GLU  10  -1.400   4.270   6.262
   66   1HG   GLU  10          1HG       GLU  10  -1.414   4.438   3.893
   67   2HG   GLU  10          2HG       GLU  10  -2.983   5.246   3.883
   68    H    THR  11           H        THR  11  -2.815   3.223   3.291
   69    HA   THR  11           HA       THR  11  -2.612   0.357   3.141
   70    HB   THR  11           HB       THR  11  -1.221   2.248   1.263
   71    HG1  THR  11           HG1      THR  11  -3.272   2.744   0.400
   72   1HG2  THR  11          1HG2      THR  11  -2.960   0.540  -0.089
   73   2HG2  THR  11          2HG2      THR  11  -2.337  -0.443   1.236
   74   3HG2  THR  11          3HG2      THR  11  -1.221   0.316   0.100
   75    H    ASP  12           H        ASP  12  -0.244  -0.185   1.830
   76    HA   ASP  12           HA       ASP  12   1.664  -0.316   4.026
   77   1HB   ASP  12          1HB       ASP  12   1.423  -1.233   1.185
   78   2HB   ASP  12          2HB       ASP  12   3.024  -1.248   1.927
   79    H    SER  13           H        SER  13   4.121   0.120   2.982
   80    HA   SER  13           HA       SER  13   4.218   3.057   2.718
   81   1HB   SER  13          1HB       SER  13   6.757   2.377   2.746
   82   2HB   SER  13          2HB       SER  13   5.799   2.181   4.212
   83    HG   SER  13           HG       SER  13   6.946   0.305   2.578
   84    H    ASP  14           H        ASP  14   3.090   1.646   0.438
   85    HA   ASP  14           HA       ASP  14   3.291   1.655  -1.917
   86   1HB   ASP  14          1HB       ASP  14   4.522   3.936  -0.828
   87   2HB   ASP  14          2HB       ASP  14   5.670   3.324  -2.020
   88    H    LEU  15           H        LEU  15   4.027  -0.619  -1.838
   89    HA   LEU  15           HA       LEU  15   6.796  -1.368  -1.597
   90   1HB   LEU  15          1HB       LEU  15   4.262  -2.574  -2.692
   91   2HB   LEU  15          2HB       LEU  15   5.794  -3.418  -2.899
   92    HG   LEU  15           HG       LEU  15   4.667  -4.173  -0.846
   93   1HD1  LEU  15          1HD1      LEU  15   7.230  -3.804  -1.046
   94   2HD1  LEU  15          2HD1      LEU  15   6.553  -4.045   0.565
   95   3HD1  LEU  15          3HD1      LEU  15   6.965  -2.420   0.015
   96   1HD2  LEU  15          1HD2      LEU  15   3.500  -1.915  -0.526
   97   2HD2  LEU  15          2HD2      LEU  15   5.011  -1.348   0.186
   98   3HD2  LEU  15          3HD2      LEU  15   4.126  -2.675   0.938
   99    HA   PRO  16           HA       PRO  16   8.403  -0.510  -5.588
  100   1HB   PRO  16          1HB       PRO  16   9.748  -2.808  -6.242
  101   2HB   PRO  16          2HB       PRO  16  10.328  -1.660  -5.017
  102   1HG   PRO  16          1HG       PRO  16   8.884  -4.241  -4.658
  103   2HG   PRO  16          2HG       PRO  16  10.223  -3.557  -3.722
  104   1HD   PRO  16          1HD       PRO  16   7.642  -3.487  -2.880
  105   2HD   PRO  16          2HD       PRO  16   8.837  -2.243  -2.447
  106    H    ALA  17           H        ALA  17   8.737  -2.044  -7.856
  107    HA   ALA  17           HA       ALA  17   5.927  -2.617  -8.609
  108   1HB   ALA  17          1HB       ALA  17   7.313  -1.120  -9.974
  109   2HB   ALA  17          2HB       ALA  17   6.920  -2.570 -10.896
  110   3HB   ALA  17          3HB       ALA  17   8.519  -2.391 -10.174
  111    H    GLY  18           H        GLY  18   5.209  -4.702  -8.566
  112   1HA   GLY  18          1HA       GLY  18   5.500  -6.970  -9.554
  113   2HA   GLY  18          2HA       GLY  18   7.195  -6.877  -9.085
  114    H    TRP  19           H        TRP  19   5.457  -5.474  -6.617
  115    HA   TRP  19           HA       TRP  19   5.283  -8.088  -5.159
  116   1HB   TRP  19          1HB       TRP  19   6.292  -5.343  -4.431
  117   2HB   TRP  19          2HB       TRP  19   5.796  -6.481  -3.182
  118    HD1  TRP  19           HD1      TRP  19   8.539  -5.778  -5.659
  119    HE1  TRP  19           HE1      TRP  19  10.429  -7.506  -5.367
  120    HE3  TRP  19           HE3      TRP  19   6.257  -9.053  -2.473
  121    HZ2  TRP  19           HZ2      TRP  19  10.910  -9.956  -3.969
  122    HZ3  TRP  19           HZ3      TRP  19   7.452 -11.073  -1.678
  123    HH2  TRP  19           HH2      TRP  19   9.773 -11.528  -2.422
  124    H    MET  20           H        MET  20   3.338  -8.477  -4.110
  125    HA   MET  20           HA       MET  20   1.320  -6.258  -4.111
  126   1HB   MET  20          1HB       MET  20   0.977  -8.146  -5.714
  127   2HB   MET  20          2HB       MET  20   0.899  -9.251  -4.358
  128   1HG   MET  20          1HG       MET  20  -1.345  -8.511  -5.225
  129   2HG   MET  20          2HG       MET  20  -1.089  -8.164  -3.518
  130   1HE   MET  20          1HE       MET  20  -2.683  -6.330  -6.603
  131   2HE   MET  20          2HE       MET  20  -3.340  -5.496  -5.197
  132   3HE   MET  20          3HE       MET  20  -3.175  -7.249  -5.174
  133    H    ARG  21           H        ARG  21  -0.472  -6.798  -2.502
  134    HA   ARG  21           HA       ARG  21   0.709  -7.849   0.052
  135   1HB   ARG  21          1HB       ARG  21   0.354  -5.341  -0.188
  136   2HB   ARG  21          2HB       ARG  21  -1.376  -5.673  -0.287
  137   1HG   ARG  21          1HG       ARG  21  -0.978  -7.027   1.919
  138   2HG   ARG  21          2HG       ARG  21   0.491  -6.058   2.040
  139   1HD   ARG  21          1HD       ARG  21  -0.714  -4.296   2.795
  140   2HD   ARG  21          2HD       ARG  21  -1.728  -4.344   1.339
  141    HE   ARG  21           HE       ARG  21  -2.867  -6.354   2.608
  142   1HH1  ARG  21          1HH1      ARG  21  -2.041  -3.206   3.644
  143   2HH1  ARG  21          2HH1      ARG  21  -2.842  -3.339   5.175
  144   1HH2  ARG  21          1HH2      ARG  21  -3.683  -6.675   4.741
  145   2HH2  ARG  21          2HH2      ARG  21  -3.772  -5.304   5.795
  146    H    VAL  22           H        VAL  22  -0.264  -9.889   0.180
  147    HA   VAL  22           HA       VAL  22  -3.199 -10.067  -0.375
  148    HB   VAL  22           HB       VAL  22  -1.062 -12.193  -0.074
  149   1HG1  VAL  22          1HG1      VAL  22  -3.964 -12.270  -0.917
  150   2HG1  VAL  22          2HG1      VAL  22  -3.198 -13.159   0.399
  151   3HG1  VAL  22          3HG1      VAL  22  -2.833 -13.575  -1.275
  152   1HG2  VAL  22          1HG2      VAL  22  -1.338 -12.358  -2.579
  153   2HG2  VAL  22          2HG2      VAL  22  -0.597 -10.854  -2.034
  154   3HG2  VAL  22          3HG2      VAL  22  -2.295 -10.879  -2.511
  155    H    GLN  23           H        GLN  23  -4.365 -11.638   1.113
  156    HA   GLN  23           HA       GLN  23  -3.379 -11.347   3.934
  157   1HB   GLN  23          1HB       GLN  23  -5.873 -10.667   2.552
  158   2HB   GLN  23          2HB       GLN  23  -6.146 -11.643   3.995
  159   1HG   GLN  23          1HG       GLN  23  -5.793  -9.833   5.281
  160   2HG   GLN  23          2HG       GLN  23  -4.159  -9.697   4.630
  161   1HE2  GLN  23          1HE2      GLN  23  -4.089  -8.596   2.344
  162   2HE2  GLN  23          2HE2      GLN  23  -5.135  -7.280   2.114
  163    H    ASP  24           H        ASP  24  -2.384 -13.506   3.753
  164    HA   ASP  24           HA       ASP  24  -3.962 -15.836   3.038
  165   1HB   ASP  24          1HB       ASP  24  -1.276 -15.116   3.630
  166   2HB   ASP  24          2HB       ASP  24  -1.721 -16.436   4.707
  167    H    THR  25           H        THR  25  -4.782 -17.442   4.511
  168    HA   THR  25           HA       THR  25  -6.214 -16.599   6.755
  169    HB   THR  25           HB       THR  25  -6.588 -18.733   5.700
  170    HG1  THR  25           HG1      THR  25  -7.127 -19.409   7.594
  171   1HG2  THR  25          1HG2      THR  25  -3.673 -19.097   6.279
  172   2HG2  THR  25          2HG2      THR  25  -4.572 -19.441   4.801
  173   3HG2  THR  25          3HG2      THR  25  -4.705 -20.524   6.186
  174    H    SER  26           H        SER  26  -2.792 -17.244   6.508
  175    HA   SER  26           HA       SER  26  -2.405 -17.478   9.420
  176   1HB   SER  26          1HB       SER  26  -0.937 -17.909   6.935
  177   2HB   SER  26          2HB       SER  26   0.051 -17.093   8.143
  178    HG   SER  26           HG       SER  26   0.153 -19.358   8.371
  179    H    GLY  27           H        GLY  27  -1.938 -15.067   6.866
  180   1HA   GLY  27          1HA       GLY  27  -2.276 -12.805   8.482
  181   2HA   GLY  27          2HA       GLY  27  -0.547 -13.156   8.521
  182    H    THR  28           H        THR  28  -1.038 -10.812   7.411
  183    HA   THR  28           HA       THR  28  -1.574 -11.010   4.527
  184    HB   THR  28           HB       THR  28  -0.652  -8.771   6.359
  185    HG1  THR  28           HG1      THR  28  -2.693  -8.541   6.746
  186   1HG2  THR  28          1HG2      THR  28  -0.793  -8.945   3.480
  187   2HG2  THR  28          2HG2      THR  28  -0.253  -7.598   4.484
  188   3HG2  THR  28          3HG2      THR  28  -1.960  -7.763   4.071
  189    H    TYR  29           H        TYR  29   0.031 -11.715   3.167
  190    HA   TYR  29           HA       TYR  29   2.873 -11.092   3.897
  191   1HB   TYR  29          1HB       TYR  29   3.424 -13.134   2.693
  192   2HB   TYR  29          2HB       TYR  29   2.130 -13.494   3.835
  193    HD1  TYR  29           HD1      TYR  29  -0.228 -13.693   3.035
  194    HD2  TYR  29           HD2      TYR  29   3.074 -13.269   0.322
  195    HE1  TYR  29           HE1      TYR  29  -1.659 -14.483   1.170
  196    HE2  TYR  29           HE2      TYR  29   1.643 -14.057  -1.545
  197    HH   TYR  29           HH       TYR  29  -0.330 -15.186  -1.994
  198    H    TYR  30           H        TYR  30   3.823 -11.835   1.250
  199    HA   TYR  30           HA       TYR  30   2.636  -9.659  -0.434
  200   1HB   TYR  30          1HB       TYR  30   5.528 -10.264   0.240
  201   2HB   TYR  30          2HB       TYR  30   5.049  -9.163  -1.052
  202    HD1  TYR  30           HD1      TYR  30   4.071  -7.000  -0.574
  203    HD2  TYR  30           HD2      TYR  30   5.033  -9.729   2.600
  204    HE1  TYR  30           HE1      TYR  30   3.765  -5.180   1.084
  205    HE2  TYR  30           HE2      TYR  30   4.727  -7.910   4.257
  206    HH   TYR  30           HH       TYR  30   3.879  -5.819   4.553
  207    H    TRP  31           H        TRP  31   2.534 -10.137  -2.636
  208    HA   TRP  31           HA       TRP  31   3.409 -12.890  -3.438
  209   1HB   TRP  31          1HB       TRP  31   1.068 -12.747  -3.582
  210   2HB   TRP  31          2HB       TRP  31   1.107 -11.071  -4.106
  211    HD1  TRP  31           HD1      TRP  31   3.346 -13.653  -5.777
  212    HE1  TRP  31           HE1      TRP  31   2.563 -13.985  -8.212
  213    HE3  TRP  31           HE3      TRP  31  -0.976 -10.941  -5.688
  214    HZ2  TRP  31           HZ2      TRP  31   0.386 -13.201  -9.899
  215    HZ3  TRP  31           HZ3      TRP  31  -2.385 -10.749  -7.717
  216    HH2  TRP  31           HH2      TRP  31  -1.711 -11.874  -9.820
  217    H    HIS  32           H        HIS  32   4.953 -13.001  -5.029
  218    HA   HIS  32           HA       HIS  32   5.951 -10.503  -6.229
  219   1HB   HIS  32          1HB       HIS  32   7.227 -12.562  -5.249
  220   2HB   HIS  32          2HB       HIS  32   6.901 -13.304  -6.813
  221    HD1  HIS  32           HD1      HIS  32   7.546  -9.613  -6.523
  222    HD2  HIS  32           HD2      HIS  32   9.605 -13.050  -7.668
  223    HE1  HIS  32           HE1      HIS  32   9.684  -8.830  -7.627
  224    H    ILE  33           H        ILE  33   4.500  -9.840  -7.812
  225    HA   ILE  33           HA       ILE  33   2.969 -11.400  -9.577
  226    HB   ILE  33           HB       ILE  33   4.206  -8.647  -9.737
  227   1HG1  ILE  33          1HG1      ILE  33   1.382  -9.620  -9.184
  228   2HG1  ILE  33          2HG1      ILE  33   2.531  -9.099  -7.952
  229   1HG2  ILE  33          1HG2      ILE  33   2.631  -8.185 -11.568
  230   2HG2  ILE  33          2HG2      ILE  33   2.076  -9.859 -11.528
  231   3HG2  ILE  33          3HG2      ILE  33   3.728  -9.489 -12.022
  232   1HD1  ILE  33          1HD1      ILE  33   1.046  -7.242  -8.486
  233   2HD1  ILE  33          2HD1      ILE  33   1.414  -7.403 -10.204
  234   3HD1  ILE  33          3HD1      ILE  33   2.665  -6.874  -9.080
  235    HA   PRO  34           HA       PRO  34   6.521 -10.967 -12.796
  236   1HB   PRO  34          1HB       PRO  34   9.067 -10.727 -11.815
  237   2HB   PRO  34          2HB       PRO  34   8.047  -9.339 -12.243
  238   1HG   PRO  34          1HG       PRO  34   8.609 -10.520  -9.573
  239   2HG   PRO  34          2HG       PRO  34   8.467  -8.821 -10.045
  240   1HD   PRO  34          1HD       PRO  34   6.494 -10.173  -8.785
  241   2HD   PRO  34          2HD       PRO  34   6.175  -8.838  -9.909
  242    H    THR  35           H        THR  35   8.330 -12.312  -9.988
  243    HA   THR  35           HA       THR  35   8.759 -14.808 -11.488
  244    HB   THR  35           HB       THR  35   9.547 -14.644  -8.670
  245    HG1  THR  35           HG1      THR  35  10.860 -12.904 -10.427
  246   1HG2  THR  35          1HG2      THR  35  10.867 -15.178 -11.325
  247   2HG2  THR  35          2HG2      THR  35  10.586 -16.304  -9.996
  248   3HG2  THR  35          3HG2      THR  35  11.807 -15.041  -9.838
  249    H    GLY  36           H        GLY  36   6.957 -13.755  -8.607
  250   1HA   GLY  36          1HA       GLY  36   4.810 -14.844  -8.092
  251   2HA   GLY  36          2HA       GLY  36   5.471 -16.340  -8.748
  252    H    THR  37           H        THR  37   7.944 -14.990  -7.039
  253    HA   THR  37           HA       THR  37   7.903 -16.947  -4.957
  254    HB   THR  37           HB       THR  37   9.280 -14.332  -4.559
  255    HG1  THR  37           HG1      THR  37  10.232 -16.114  -6.509
  256   1HG2  THR  37          1HG2      THR  37   9.538 -16.720  -3.386
  257   2HG2  THR  37          2HG2      THR  37  10.911 -15.636  -3.604
  258   3HG2  THR  37          3HG2      THR  37  10.652 -16.968  -4.730
  259    H    THR  38           H        THR  38   7.363 -16.716  -2.723
  260    HA   THR  38           HA       THR  38   5.593 -14.372  -2.099
  261    HB   THR  38           HB       THR  38   4.852 -16.467  -0.436
  262    HG1  THR  38           HG1      THR  38   5.104 -17.568  -3.007
  263   1HG2  THR  38          1HG2      THR  38   3.337 -14.961  -1.639
  264   2HG2  THR  38          2HG2      THR  38   2.896 -16.640  -1.949
  265   3HG2  THR  38          3HG2      THR  38   3.777 -15.720  -3.169
  266    H    GLN  39           H        GLN  39   5.730 -13.559   0.074
  267    HA   GLN  39           HA       GLN  39   7.910 -14.661   1.791
  268   1HB   GLN  39          1HB       GLN  39   7.591 -11.779   0.883
  269   2HB   GLN  39          2HB       GLN  39   8.813 -12.362   2.014
  270   1HG   GLN  39          1HG       GLN  39   9.176 -14.085  -0.074
  271   2HG   GLN  39          2HG       GLN  39   8.700 -12.615  -0.925
  272   1HE2  GLN  39          1HE2      GLN  39  11.229 -14.090   1.015
  273   2HE2  GLN  39          2HE2      GLN  39  12.330 -12.802   0.903
  274    H    TRP  40           H        TRP  40   7.554 -11.999   3.319
  275    HA   TRP  40           HA       TRP  40   4.791 -12.290   4.360
  276   1HB   TRP  40          1HB       TRP  40   7.355 -12.910   5.841
  277   2HB   TRP  40          2HB       TRP  40   5.854 -12.540   6.690
  278    HD1  TRP  40           HD1      TRP  40   7.612 -15.259   4.787
  279    HE1  TRP  40           HE1      TRP  40   6.136 -17.372   4.729
  280    HE3  TRP  40           HE3      TRP  40   3.251 -13.339   6.624
  281    HZ2  TRP  40           HZ2      TRP  40   3.459 -18.145   5.376
  282    HZ3  TRP  40           HZ3      TRP  40   1.256 -14.784   6.893
  283    HH2  TRP  40           HH2      TRP  40   1.354 -17.182   6.272
  284    H    GLU  41           H        GLU  41   7.963 -10.688   4.644
  285    HA   GLU  41           HA       GLU  41   6.609  -8.238   5.689
  286   1HB   GLU  41          1HB       GLU  41   9.391  -9.386   5.705
  287   2HB   GLU  41          2HB       GLU  41   9.155  -7.664   5.994
  288   1HG   GLU  41          1HG       GLU  41   7.241  -9.170   7.535
  289   2HG   GLU  41          2HG       GLU  41   8.868  -9.770   7.862
  290    HA   PRO  42           HA       PRO  42   7.271  -6.018   1.964
  291   1HB   PRO  42          1HB       PRO  42   8.212  -3.599   2.838
  292   2HB   PRO  42          2HB       PRO  42   6.524  -4.111   3.040
  293   1HG   PRO  42          1HG       PRO  42   8.756  -4.129   5.011
  294   2HG   PRO  42          2HG       PRO  42   7.048  -3.723   5.243
  295   1HD   PRO  42          1HD       PRO  42   8.127  -6.115   5.967
  296   2HD   PRO  42          2HD       PRO  42   6.425  -5.913   5.496
  297    HA   PRO  43           HA       PRO  43  11.587  -6.798   1.165
  298   1HB   PRO  43          1HB       PRO  43  11.484  -6.350  -1.533
  299   2HB   PRO  43          2HB       PRO  43  10.896  -7.846  -0.779
  300   1HG   PRO  43          1HG       PRO  43   9.366  -5.490  -1.753
  301   2HG   PRO  43          2HG       PRO  43   8.959  -7.211  -1.827
  302   1HD   PRO  43          1HD       PRO  43   7.898  -5.467  -0.002
  303   2HD   PRO  43          2HD       PRO  43   8.052  -7.217   0.268
  304    H    GLY  44           H        GLY  44  13.442  -5.486   0.563
  305   1HA   GLY  44          1HA       GLY  44  14.132  -3.293  -0.549
  306   2HA   GLY  44          2HA       GLY  44  12.815  -2.567   0.375
  307    H    ARG  45           H        ARG  45  15.414  -1.614   0.694
  308    HA   ARG  45           HA       ARG  45  15.774  -1.825   3.548
  309   1HB   ARG  45          1HB       ARG  45  16.557  -4.075   2.651
  310   2HB   ARG  45          2HB       ARG  45  17.864  -3.208   1.843
  311   1HG   ARG  45          1HG       ARG  45  18.947  -2.715   3.816
  312   2HG   ARG  45          2HG       ARG  45  17.449  -2.663   4.747
  313   1HD   ARG  45          1HD       ARG  45  17.307  -5.067   4.818
  314   2HD   ARG  45          2HD       ARG  45  18.615  -5.235   3.629
  315    HE   ARG  45           HE       ARG  45  19.260  -3.747   6.106
  316   1HH1  ARG  45          1HH1      ARG  45  18.917  -6.913   4.916
  317   2HH1  ARG  45          2HH1      ARG  45  20.459  -7.460   5.486
  318   1HH2  ARG  45          1HH2      ARG  45  21.475  -4.323   6.555
  319   2HH2  ARG  45          2HH2      ARG  45  21.907  -5.994   6.413
  320    H    ALA  46           H        ALA  46  15.610   0.506   2.470
  321    HA   ALA  46           HA       ALA  46  18.410   1.516   2.221
  322   1HB   ALA  46          1HB       ALA  46  17.319   1.121  -0.019
  323   2HB   ALA  46          2HB       ALA  46  17.771   2.802   0.261
  324   3HB   ALA  46          3HB       ALA  46  16.089   2.301   0.432
  325    H    SER  47           H        SER  47  18.609   3.001   3.848
  326    HA   SER  47           HA       SER  47  16.735   5.218   4.107
  327   1HB   SER  47          1HB       SER  47  15.614   3.197   5.184
  328   2HB   SER  47          2HB       SER  47  16.902   3.224   6.384
  329    HG   SER  47           HG       SER  47  14.948   4.424   6.930
  330    HA   PRO  48           HA       PRO  48  20.864   6.312   5.578
  331   1HB   PRO  48          1HB       PRO  48  20.593   8.982   5.043
  332   2HB   PRO  48          2HB       PRO  48  21.026   7.788   3.803
  333   1HG   PRO  48          1HG       PRO  48  18.401   9.068   4.362
  334   2HG   PRO  48          2HG       PRO  48  19.143   8.641   2.812
  335   1HD   PRO  48          1HD       PRO  48  17.179   7.168   4.021
  336   2HD   PRO  48          2HD       PRO  48  18.373   6.491   2.892
  337    H    SER  49           H        SER  49  20.238   5.865   7.805
  338    HA   SER  49           HA       SER  49  18.674   7.915   9.260
  339   1HB   SER  49          1HB       SER  49  19.233   5.128   9.447
  340   2HB   SER  49          2HB       SER  49  19.848   5.881  10.915
  341    HG   SER  49           HG       SER  49  17.346   5.322  10.296
  342    H    GLN  50           H        GLN  50  19.785   8.191  11.651
  343    HA   GLN  50           HA       GLN  50  21.494   9.315  12.834
  344   1HB   GLN  50          1HB       GLN  50  23.185   7.764  10.845
  345   2HB   GLN  50          2HB       GLN  50  23.730   8.400  12.398
  346   1HG   GLN  50          1HG       GLN  50  22.306   6.910  13.613
  347   2HG   GLN  50          2HG       GLN  50  21.432   6.448  12.153
  348   1HE2  GLN  50          1HE2      GLN  50  23.389   5.820  10.337
  349   2HE2  GLN  50          2HE2      GLN  50  24.394   4.584  10.924
  Start of MODEL   16
    1    H    ASP   1           H        ASP   1 -19.640  -4.013  10.346
    2    HA   ASP   1           HA       ASP   1 -17.518  -2.821   9.406
    3   1HB   ASP   1          1HB       ASP   1 -17.897  -4.407   7.396
    4   2HB   ASP   1          2HB       ASP   1 -17.993  -5.116   9.008
    5    H    SER   2           H        SER   2 -17.807  -0.556   8.877
    6    HA   SER   2           HA       SER   2 -18.589  -0.105   6.067
    7   1HB   SER   2          1HB       SER   2 -20.277   1.565   6.672
    8   2HB   SER   2          2HB       SER   2 -20.680   0.024   7.422
    9    HG   SER   2           HG       SER   2 -19.654   2.379   8.560
   10    H    PHE   3           H        PHE   3 -17.517   1.293   9.150
   11    HA   PHE   3           HA       PHE   3 -16.451   3.732   8.061
   12   1HB   PHE   3          1HB       PHE   3 -15.531   3.980  10.256
   13   2HB   PHE   3          2HB       PHE   3 -17.035   3.086  10.473
   14    HD1  PHE   3           HD1      PHE   3 -13.381   2.937  10.622
   15    HD2  PHE   3           HD2      PHE   3 -17.005   0.648  10.905
   16    HE1  PHE   3           HE1      PHE   3 -12.123   1.072  11.667
   17    HE2  PHE   3           HE2      PHE   3 -15.747  -1.216  11.951
   18    HZ   PHE   3           HZ       PHE   3 -13.306  -1.003  12.331
   19    H    TRP   4           H        TRP   4 -14.938   0.576   8.806
   20    HA   TRP   4           HA       TRP   4 -12.265   1.275   8.132
   21   1HB   TRP   4          1HB       TRP   4 -11.929  -1.102   8.139
   22   2HB   TRP   4          2HB       TRP   4 -13.203  -0.784   9.315
   23    HD1  TRP   4           HD1      TRP   4 -15.793  -1.054   8.305
   24    HE1  TRP   4           HE1      TRP   4 -16.687  -2.845   6.681
   25    HE3  TRP   4           HE3      TRP   4 -11.399  -2.659   6.256
   26    HZ2  TRP   4           HZ2      TRP   4 -15.671  -4.712   4.765
   27    HZ3  TRP   4           HZ3      TRP   4 -11.390  -4.441   4.536
   28    HH2  TRP   4           HH2      TRP   4 -13.520  -5.469   3.787
   29    H    ASN   5           H        ASN   5 -15.044   0.640   6.122
   30    HA   ASN   5           HA       ASN   5 -13.284   0.846   3.700
   31   1HB   ASN   5          1HB       ASN   5 -14.160  -1.454   4.161
   32   2HB   ASN   5          2HB       ASN   5 -15.801  -0.813   4.065
   33   1HD2  ASN   5          1HD2      ASN   5 -16.691  -1.252   2.050
   34   2HD2  ASN   5          2HD2      ASN   5 -15.846  -1.216   0.578
   35    HA   PRO   6           HA       PRO   6 -16.606   4.078   3.705
   36   1HB   PRO   6          1HB       PRO   6 -14.943   6.202   3.252
   37   2HB   PRO   6          2HB       PRO   6 -15.318   5.599   4.879
   38   1HG   PRO   6          1HG       PRO   6 -12.892   5.182   3.220
   39   2HG   PRO   6          2HG       PRO   6 -13.043   5.375   4.972
   40   1HD   PRO   6          1HD       PRO   6 -12.676   2.965   3.696
   41   2HD   PRO   6          2HD       PRO   6 -13.398   3.150   5.308
   42    H    ASN   7           H        ASN   7 -14.025   5.416   1.749
   43    HA   ASN   7           HA       ASN   7 -15.615   5.485  -0.642
   44   1HB   ASN   7          1HB       ASN   7 -13.484   6.267  -1.624
   45   2HB   ASN   7          2HB       ASN   7 -13.770   7.031  -0.060
   46   1HD2  ASN   7          1HD2      ASN   7 -12.307   6.552   1.664
   47   2HD2  ASN   7          2HD2      ASN   7 -10.941   5.564   1.470
   48    H    ALA   8           H        ALA   8 -13.374   3.126   0.683
   49    HA   ALA   8           HA       ALA   8 -12.785   0.966  -0.074
   50   1HB   ALA   8          1HB       ALA   8 -15.065   1.253  -2.026
   51   2HB   ALA   8          2HB       ALA   8 -15.382   1.143  -0.294
   52   3HB   ALA   8          3HB       ALA   8 -14.559  -0.177  -1.126
   53    H    PHE   9           H        PHE   9 -10.875   2.169  -1.081
   54    HA   PHE   9           HA       PHE   9 -10.541   1.363  -3.846
   55   1HB   PHE   9          1HB       PHE   9 -11.860   3.802  -3.356
   56   2HB   PHE   9          2HB       PHE   9 -10.221   4.248  -3.827
   57    HD1  PHE   9           HD1      PHE   9 -13.417   3.001  -4.956
   58    HD2  PHE   9           HD2      PHE   9  -9.250   3.265  -5.966
   59    HE1  PHE   9           HE1      PHE   9 -13.958   2.497  -7.323
   60    HE2  PHE   9           HE2      PHE   9  -9.792   2.761  -8.333
   61    HZ   PHE   9           HZ       PHE   9 -12.147   2.377  -9.011
   62    H    GLU  10           H        GLU  10  -8.999   0.815  -1.601
   63    HA   GLU  10           HA       GLU  10  -6.647   2.653  -1.777
   64   1HB   GLU  10          1HB       GLU  10  -7.932   0.938   0.260
   65   2HB   GLU  10          2HB       GLU  10  -6.168   0.894   0.269
   66   1HG   GLU  10          1HG       GLU  10  -6.812   2.689   1.726
   67   2HG   GLU  10          2HG       GLU  10  -6.213   3.433   0.244
   68    H    THR  11           H        THR  11  -4.549   1.738  -2.173
   69    HA   THR  11           HA       THR  11  -4.627  -0.961  -3.480
   70    HB   THR  11           HB       THR  11  -2.484   1.098  -3.911
   71    HG1  THR  11           HG1      THR  11  -4.322   2.305  -4.143
   72   1HG2  THR  11          1HG2      THR  11  -1.964  -0.629  -5.297
   73   2HG2  THR  11          2HG2      THR  11  -3.215   0.063  -6.330
   74   3HG2  THR  11          3HG2      THR  11  -3.603  -1.279  -5.256
   75    H    ASP  12           H        ASP  12  -1.956  -1.540  -3.565
   76    HA   ASP  12           HA       ASP  12  -1.331  -2.642  -1.055
   77   1HB   ASP  12          1HB       ASP  12   0.893  -2.942  -2.048
   78   2HB   ASP  12          2HB       ASP  12  -0.343  -3.199  -3.279
   79    H    SER  13           H        SER  13  -0.181  -1.882   0.741
   80    HA   SER  13           HA       SER  13  -0.213   0.750   1.577
   81   1HB   SER  13          1HB       SER  13   2.057  -0.118   2.747
   82   2HB   SER  13          2HB       SER  13   0.469  -0.718   3.216
   83    HG   SER  13           HG       SER  13   2.356  -2.207   2.492
   84    H    ASP  14           H        ASP  14   3.022  -0.475   0.896
   85    HA   ASP  14           HA       ASP  14   3.506   1.595  -1.167
   86   1HB   ASP  14          1HB       ASP  14   4.475   1.632   1.675
   87   2HB   ASP  14          2HB       ASP  14   5.512   2.298   0.414
   88    H    LEU  15           H        LEU  15   3.668  -0.998  -1.799
   89    HA   LEU  15           HA       LEU  15   6.369  -2.068  -1.255
   90   1HB   LEU  15          1HB       LEU  15   3.908  -2.992  -2.760
   91   2HB   LEU  15          2HB       LEU  15   5.406  -3.920  -2.744
   92    HG   LEU  15           HG       LEU  15   3.982  -4.766  -0.976
   93   1HD1  LEU  15          1HD1      LEU  15   5.749  -3.109   0.713
   94   2HD1  LEU  15          2HD1      LEU  15   6.563  -3.931  -0.618
   95   3HD1  LEU  15          3HD1      LEU  15   5.651  -4.863   0.569
   96   1HD2  LEU  15          1HD2      LEU  15   2.722  -2.496  -0.853
   97   2HD2  LEU  15          2HD2      LEU  15   3.975  -2.031   0.298
   98   3HD2  LEU  15          3HD2      LEU  15   2.927  -3.407   0.643
   99    HA   PRO  16           HA       PRO  16   8.209  -0.701  -4.995
  100   1HB   PRO  16          1HB       PRO  16   9.623  -2.903  -5.801
  101   2HB   PRO  16          2HB       PRO  16  10.101  -1.900  -4.415
  102   1HG   PRO  16          1HG       PRO  16   8.679  -4.514  -4.457
  103   2HG   PRO  16          2HG       PRO  16   9.925  -3.925  -3.346
  104   1HD   PRO  16          1HD       PRO  16   7.272  -3.981  -2.729
  105   2HD   PRO  16          2HD       PRO  16   8.413  -2.805  -2.038
  106    H    ALA  17           H        ALA  17   8.784  -2.173  -7.335
  107    HA   ALA  17           HA       ALA  17   6.048  -2.500  -8.434
  108   1HB   ALA  17          1HB       ALA  17   8.699  -2.599  -9.885
  109   2HB   ALA  17          2HB       ALA  17   7.962  -1.073  -9.394
  110   3HB   ALA  17          3HB       ALA  17   7.124  -2.131 -10.528
  111    H    GLY  18           H        GLY  18   5.234  -4.473  -9.058
  112   1HA   GLY  18          1HA       GLY  18   5.338  -6.727  -9.856
  113   2HA   GLY  18          2HA       GLY  18   7.060  -6.757  -9.492
  114    H    TRP  19           H        TRP  19   5.339  -5.429  -6.906
  115    HA   TRP  19           HA       TRP  19   5.290  -8.093  -5.530
  116   1HB   TRP  19          1HB       TRP  19   6.260  -5.352  -4.782
  117   2HB   TRP  19          2HB       TRP  19   5.698  -6.434  -3.509
  118    HD1  TRP  19           HD1      TRP  19   8.579  -5.798  -5.808
  119    HE1  TRP  19           HE1      TRP  19  10.410  -7.574  -5.439
  120    HE3  TRP  19           HE3      TRP  19   6.029  -9.094  -2.853
  121    HZ2  TRP  19           HZ2      TRP  19  10.748 -10.063  -4.075
  122    HZ3  TRP  19           HZ3      TRP  19   7.130 -11.160  -2.037
  123    HH2  TRP  19           HH2      TRP  19   9.484 -11.647  -2.643
  124    H    MET  20           H        MET  20   3.389  -8.566  -4.395
  125    HA   MET  20           HA       MET  20   1.257  -6.457  -4.449
  126   1HB   MET  20          1HB       MET  20   0.911  -8.331  -5.993
  127   2HB   MET  20          2HB       MET  20   1.074  -9.471  -4.672
  128   1HG   MET  20          1HG       MET  20  -0.949  -8.777  -3.678
  129   2HG   MET  20          2HG       MET  20  -0.985  -7.275  -4.602
  130   1HE   MET  20          1HE       MET  20  -3.408  -7.779  -4.914
  131   2HE   MET  20          2HE       MET  20  -3.915  -8.386  -6.488
  132   3HE   MET  20          3HE       MET  20  -2.777  -7.045  -6.395
  133    H    ARG  21           H        ARG  21  -0.470  -6.913  -2.822
  134    HA   ARG  21           HA       ARG  21   0.687  -7.931  -0.243
  135   1HB   ARG  21          1HB       ARG  21   0.321  -5.387  -0.654
  136   2HB   ARG  21          2HB       ARG  21  -1.396  -5.760  -0.494
  137   1HG   ARG  21          1HG       ARG  21  -1.226  -6.240   1.746
  138   2HG   ARG  21          2HG       ARG  21   0.412  -6.876   1.591
  139   1HD   ARG  21          1HD       ARG  21   1.154  -4.453   1.150
  140   2HD   ARG  21          2HD       ARG  21  -0.452  -3.978   1.740
  141    HE   ARG  21           HE       ARG  21   1.426  -5.658   3.363
  142   1HH1  ARG  21          1HH1      ARG  21  -1.637  -4.950   3.823
  143   2HH1  ARG  21          2HH1      ARG  21  -1.457  -3.826   5.129
  144   1HH2  ARG  21          1HH2      ARG  21   1.962  -3.456   4.690
  145   2HH2  ARG  21          2HH2      ARG  21   0.580  -2.981   5.620
  146    H    VAL  22           H        VAL  22  -0.384  -9.849   0.181
  147    HA   VAL  22           HA       VAL  22  -3.313  -9.973  -0.462
  148    HB   VAL  22           HB       VAL  22  -1.265 -12.181  -0.129
  149   1HG1  VAL  22          1HG1      VAL  22  -3.370 -13.142   0.295
  150   2HG1  VAL  22          2HG1      VAL  22  -3.142 -13.419  -1.431
  151   3HG1  VAL  22          3HG1      VAL  22  -4.180 -12.104  -0.878
  152   1HG2  VAL  22          1HG2      VAL  22  -2.262 -10.635  -2.507
  153   2HG2  VAL  22          2HG2      VAL  22  -1.773 -12.319  -2.703
  154   3HG2  VAL  22          3HG2      VAL  22  -0.613 -11.126  -2.116
  155    H    GLN  23           H        GLN  23  -4.524 -11.473   1.061
  156    HA   GLN  23           HA       GLN  23  -3.509 -11.176   3.870
  157   1HB   GLN  23          1HB       GLN  23  -6.055 -10.540   2.494
  158   2HB   GLN  23          2HB       GLN  23  -6.230 -11.306   4.074
  159   1HG   GLN  23          1HG       GLN  23  -4.179  -9.364   4.336
  160   2HG   GLN  23          2HG       GLN  23  -5.508  -8.587   3.473
  161   1HE2  GLN  23          1HE2      GLN  23  -5.392  -7.449   5.817
  162   2HE2  GLN  23          2HE2      GLN  23  -6.449  -8.110   6.970
  163    H    ASP  24           H        ASP  24  -2.640 -13.340   3.923
  164    HA   ASP  24           HA       ASP  24  -4.376 -15.616   3.230
  165   1HB   ASP  24          1HB       ASP  24  -1.609 -15.031   3.507
  166   2HB   ASP  24          2HB       ASP  24  -1.991 -16.322   4.641
  167    H    THR  25           H        THR  25  -4.780 -17.342   4.869
  168    HA   THR  25           HA       THR  25  -6.076 -16.422   7.209
  169    HB   THR  25           HB       THR  25  -6.089 -18.818   7.786
  170    HG1  THR  25           HG1      THR  25  -4.834 -20.151   6.228
  171   1HG2  THR  25          1HG2      THR  25  -7.488 -19.301   6.072
  172   2HG2  THR  25          2HG2      THR  25  -6.223 -19.080   4.863
  173   3HG2  THR  25          3HG2      THR  25  -7.098 -17.683   5.490
  174    H    SER  26           H        SER  26  -2.699 -17.260   6.662
  175    HA   SER  26           HA       SER  26  -2.010 -17.371   9.504
  176   1HB   SER  26          1HB       SER  26  -0.132 -18.287   8.622
  177   2HB   SER  26          2HB       SER  26  -0.930 -18.169   7.058
  178    HG   SER  26           HG       SER  26   0.931 -16.435   8.270
  179    H    GLY  27           H        GLY  27  -2.151 -14.909   7.010
  180   1HA   GLY  27          1HA       GLY  27  -2.258 -12.658   8.543
  181   2HA   GLY  27          2HA       GLY  27  -0.527 -12.998   8.538
  182    H    THR  28           H        THR  28  -1.189 -10.658   7.407
  183    HA   THR  28           HA       THR  28  -1.770 -10.891   4.551
  184    HB   THR  28           HB       THR  28  -0.641  -8.590   6.177
  185    HG1  THR  28           HG1      THR  28  -2.492  -8.890   7.161
  186   1HG2  THR  28          1HG2      THR  28  -2.250  -8.667   3.609
  187   2HG2  THR  28          2HG2      THR  28  -0.529  -8.303   3.729
  188   3HG2  THR  28          3HG2      THR  28  -1.713  -7.209   4.443
  189    H    TYR  29           H        TYR  29  -0.225 -11.660   3.157
  190    HA   TYR  29           HA       TYR  29   2.648 -11.053   3.767
  191   1HB   TYR  29          1HB       TYR  29   3.131 -13.133   2.607
  192   2HB   TYR  29          2HB       TYR  29   1.868 -13.444   3.793
  193    HD1  TYR  29           HD1      TYR  29   2.738 -13.396   0.268
  194    HD2  TYR  29           HD2      TYR  29  -0.532 -13.575   3.046
  195    HE1  TYR  29           HE1      TYR  29   1.252 -14.232  -1.534
  196    HE2  TYR  29           HE2      TYR  29  -2.018 -14.410   1.243
  197    HH   TYR  29           HH       TYR  29  -0.767 -14.992  -2.045
  198    H    TYR  30           H        TYR  30   3.510 -11.860   1.115
  199    HA   TYR  30           HA       TYR  30   2.248  -9.764  -0.613
  200   1HB   TYR  30          1HB       TYR  30   5.208 -10.219  -0.110
  201   2HB   TYR  30          2HB       TYR  30   4.523  -8.996  -1.180
  202    HD1  TYR  30           HD1      TYR  30   3.366  -7.036  -0.289
  203    HD2  TYR  30           HD2      TYR  30   5.029 -10.015   2.321
  204    HE1  TYR  30           HE1      TYR  30   3.116  -5.491   1.634
  205    HE2  TYR  30           HE2      TYR  30   4.779  -8.469   4.244
  206    HH   TYR  30           HH       TYR  30   4.619  -6.014   4.619
  207    H    TRP  31           H        TRP  31   2.443 -10.187  -2.881
  208    HA   TRP  31           HA       TRP  31   3.377 -12.958  -3.560
  209   1HB   TRP  31          1HB       TRP  31   1.013 -12.885  -3.711
  210   2HB   TRP  31          2HB       TRP  31   1.020 -11.278  -4.416
  211    HD1  TRP  31           HD1      TRP  31   3.480 -13.808  -5.761
  212    HE1  TRP  31           HE1      TRP  31   2.785 -14.483  -8.151
  213    HE3  TRP  31           HE3      TRP  31  -1.112 -11.590  -6.002
  214    HZ2  TRP  31           HZ2      TRP  31   0.573 -14.125  -9.930
  215    HZ3  TRP  31           HZ3      TRP  31  -2.491 -11.773  -8.052
  216    HH2  TRP  31           HH2      TRP  31  -1.656 -13.038 -10.015
  217    H    HIS  32           H        HIS  32   5.076 -12.938  -4.953
  218    HA   HIS  32           HA       HIS  32   5.939 -10.479  -6.263
  219   1HB   HIS  32          1HB       HIS  32   7.264 -12.485  -5.208
  220   2HB   HIS  32          2HB       HIS  32   7.037 -13.234  -6.786
  221    HD1  HIS  32           HD1      HIS  32   7.495  -9.515  -6.456
  222    HD2  HIS  32           HD2      HIS  32   9.760 -12.845  -7.529
  223    HE1  HIS  32           HE1      HIS  32   9.633  -8.627  -7.479
  224    H    ILE  33           H        ILE  33   4.558  -9.885  -7.895
  225    HA   ILE  33           HA       ILE  33   3.137 -11.579  -9.669
  226    HB   ILE  33           HB       ILE  33   4.102  -8.717  -9.744
  227   1HG1  ILE  33          1HG1      ILE  33   1.450 -10.085  -9.178
  228   2HG1  ILE  33          2HG1      ILE  33   2.462  -9.220  -8.021
  229   1HG2  ILE  33          1HG2      ILE  33   2.937 -10.335 -11.880
  230   2HG2  ILE  33          2HG2      ILE  33   3.605  -8.703 -11.950
  231   3HG2  ILE  33          3HG2      ILE  33   1.924  -8.950 -11.476
  232   1HD1  ILE  33          1HD1      ILE  33   0.904  -7.579  -8.552
  233   2HD1  ILE  33          2HD1      ILE  33   0.742  -8.129 -10.221
  234   3HD1  ILE  33          3HD1      ILE  33   2.173  -7.225  -9.724
  235    HA   PRO  34           HA       PRO  34   6.711 -10.810 -12.788
  236   1HB   PRO  34          1HB       PRO  34   9.219 -10.461 -11.743
  237   2HB   PRO  34          2HB       PRO  34   8.131  -9.117 -12.146
  238   1HG   PRO  34          1HG       PRO  34   8.729 -10.341  -9.504
  239   2HG   PRO  34          2HG       PRO  34   8.460  -8.644  -9.928
  240   1HD   PRO  34          1HD       PRO  34   6.588 -10.217  -8.746
  241   2HD   PRO  34          2HD       PRO  34   6.184  -8.833  -9.779
  242    H    THR  35           H        THR  35   8.288 -12.205  -9.860
  243    HA   THR  35           HA       THR  35   8.995 -14.609 -11.440
  244    HB   THR  35           HB       THR  35   9.610 -14.444  -8.569
  245    HG1  THR  35           HG1      THR  35  10.356 -12.470 -10.434
  246   1HG2  THR  35          1HG2      THR  35  11.156 -14.913 -11.121
  247   2HG2  THR  35          2HG2      THR  35  10.702 -16.106  -9.905
  248   3HG2  THR  35          3HG2      THR  35  11.916 -14.882  -9.529
  249    H    GLY  36           H        GLY  36   7.081 -13.756  -8.556
  250   1HA   GLY  36          1HA       GLY  36   4.926 -14.930  -8.214
  251   2HA   GLY  36          2HA       GLY  36   5.687 -16.383  -8.858
  252    H    THR  37           H        THR  37   8.039 -15.039  -7.031
  253    HA   THR  37           HA       THR  37   7.886 -17.000  -4.945
  254    HB   THR  37           HB       THR  37   9.339 -14.421  -4.563
  255    HG1  THR  37           HG1      THR  37  10.110 -16.323  -6.510
  256   1HG2  THR  37          1HG2      THR  37  10.756 -15.726  -3.383
  257   2HG2  THR  37          2HG2      THR  37  10.773 -16.981  -4.621
  258   3HG2  THR  37          3HG2      THR  37   9.462 -16.923  -3.442
  259    H    THR  38           H        THR  38   7.320 -16.710  -2.716
  260    HA   THR  38           HA       THR  38   5.608 -14.303  -2.163
  261    HB   THR  38           HB       THR  38   4.623 -16.159  -0.496
  262    HG1  THR  38           HG1      THR  38   5.364 -18.051  -0.943
  263   1HG2  THR  38          1HG2      THR  38   2.823 -16.109  -1.886
  264   2HG2  THR  38          2HG2      THR  38   3.762 -16.653  -3.277
  265   3HG2  THR  38          3HG2      THR  38   3.791 -14.954  -2.803
  266    H    GLN  39           H        GLN  39   5.797 -13.401  -0.041
  267    HA   GLN  39           HA       GLN  39   7.899 -14.554   1.743
  268   1HB   GLN  39          1HB       GLN  39   7.732 -11.684   0.757
  269   2HB   GLN  39          2HB       GLN  39   8.932 -12.314   1.887
  270   1HG   GLN  39          1HG       GLN  39   9.317 -14.081  -0.073
  271   2HG   GLN  39          2HG       GLN  39   8.681 -12.763  -1.057
  272   1HE2  GLN  39          1HE2      GLN  39  11.562 -13.995   0.039
  273   2HE2  GLN  39          2HE2      GLN  39  12.488 -12.574   0.062
  274    H    TRP  40           H        TRP  40   7.926 -12.619   3.682
  275    HA   TRP  40           HA       TRP  40   5.063 -12.166   4.432
  276   1HB   TRP  40          1HB       TRP  40   7.280 -13.437   6.069
  277   2HB   TRP  40          2HB       TRP  40   5.692 -13.011   6.708
  278    HD1  TRP  40           HD1      TRP  40   7.462 -15.527   4.492
  279    HE1  TRP  40           HE1      TRP  40   5.832 -17.438   3.913
  280    HE3  TRP  40           HE3      TRP  40   3.121 -13.581   6.354
  281    HZ2  TRP  40           HZ2      TRP  40   3.055 -18.059   4.201
  282    HZ3  TRP  40           HZ3      TRP  40   1.001 -14.853   6.188
  283    HH2  TRP  40           HH2      TRP  40   0.962 -17.088   5.115
  284    H    GLU  41           H        GLU  41   8.011 -10.782   3.894
  285    HA   GLU  41           HA       GLU  41   7.541  -8.648   5.952
  286   1HB   GLU  41          1HB       GLU  41  10.173  -9.503   4.712
  287   2HB   GLU  41          2HB       GLU  41   9.945  -8.446   6.105
  288   1HG   GLU  41          1HG       GLU  41   8.636 -10.560   7.053
  289   2HG   GLU  41          2HG       GLU  41   9.680 -11.418   5.919
  290    HA   PRO  42           HA       PRO  42   7.415  -5.765   2.647
  291   1HB   PRO  42          1HB       PRO  42   8.746  -3.617   3.698
  292   2HB   PRO  42          2HB       PRO  42   7.121  -4.099   4.224
  293   1HG   PRO  42          1HG       PRO  42   9.752  -4.594   5.520
  294   2HG   PRO  42          2HG       PRO  42   8.189  -4.201   6.253
  295   1HD   PRO  42          1HD       PRO  42   9.231  -6.721   6.188
  296   2HD   PRO  42          2HD       PRO  42   7.489  -6.379   6.241
  297    HA   PRO  43           HA       PRO  43  11.434  -6.696   0.836
  298   1HB   PRO  43          1HB       PRO  43  10.607  -6.394  -1.754
  299   2HB   PRO  43          2HB       PRO  43  10.314  -7.869  -0.812
  300   1HG   PRO  43          1HG       PRO  43   8.465  -5.623  -1.436
  301   2HG   PRO  43          2HG       PRO  43   8.141  -7.361  -1.342
  302   1HD   PRO  43          1HD       PRO  43   7.500  -5.586   0.636
  303   2HD   PRO  43          2HD       PRO  43   7.826  -7.310   0.921
  304    H    GLY  44           H        GLY  44  13.022  -5.341  -0.179
  305   1HA   GLY  44          1HA       GLY  44  13.030  -3.095  -1.600
  306   2HA   GLY  44          2HA       GLY  44  12.347  -2.453  -0.105
  307    H    ARG  45           H        ARG  45  14.269  -1.106   0.114
  308    HA   ARG  45           HA       ARG  45  16.584  -2.635   1.243
  309   1HB   ARG  45          1HB       ARG  45  16.794  -1.718  -1.171
  310   2HB   ARG  45          2HB       ARG  45  16.852  -0.125  -0.415
  311   1HG   ARG  45          1HG       ARG  45  18.842  -0.645   0.780
  312   2HG   ARG  45          2HG       ARG  45  18.673  -2.372   0.459
  313   1HD   ARG  45          1HD       ARG  45  18.930  -1.825  -2.019
  314   2HD   ARG  45          2HD       ARG  45  19.407  -0.191  -1.515
  315    HE   ARG  45           HE       ARG  45  20.838  -2.665  -0.610
  316   1HH1  ARG  45          1HH1      ARG  45  21.600  -0.552  -2.849
  317   2HH1  ARG  45          2HH1      ARG  45  22.881   0.267  -2.020
  318   1HH2  ARG  45          1HH2      ARG  45  22.102  -1.083   1.077
  319   2HH2  ARG  45          2HH2      ARG  45  23.166  -0.032   0.202
  320    H    ALA  46           H        ALA  46  17.915  -1.248   2.716
  321    HA   ALA  46           HA       ALA  46  18.111   0.285   4.505
  322   1HB   ALA  46          1HB       ALA  46  17.680   1.766   2.446
  323   2HB   ALA  46          2HB       ALA  46  17.315   2.482   4.015
  324   3HB   ALA  46          3HB       ALA  46  16.010   1.862   3.005
  325    H    SER  47           H        SER  47  17.079   0.570   6.507
  326    HA   SER  47           HA       SER  47  14.203   0.538   6.850
  327   1HB   SER  47          1HB       SER  47  14.841  -1.853   8.162
  328   2HB   SER  47          2HB       SER  47  13.925  -1.699   6.666
  329    HG   SER  47           HG       SER  47  15.948  -3.044   6.712
  330    HA   PRO  48           HA       PRO  48  16.268   0.239  11.141
  331   1HB   PRO  48          1HB       PRO  48  18.914  -0.453  11.269
  332   2HB   PRO  48          2HB       PRO  48  17.600  -1.647  11.289
  333   1HG   PRO  48          1HG       PRO  48  19.356  -0.804   9.037
  334   2HG   PRO  48          2HG       PRO  48  18.757  -2.416   9.459
  335   1HD   PRO  48          1HD       PRO  48  17.687  -0.896   7.471
  336   2HD   PRO  48          2HD       PRO  48  16.755  -2.093   8.395
  337    H    SER  49           H        SER  49  17.999   1.636  12.343
  338    HA   SER  49           HA       SER  49  19.511   3.543  10.709
  339   1HB   SER  49          1HB       SER  49  18.084   5.395  10.979
  340   2HB   SER  49          2HB       SER  49  16.945   4.082  10.696
  341    HG   SER  49           HG       SER  49  17.027   5.675  12.756
  342    H    GLN  50           H        GLN  50  21.279   3.991  11.961
  343    HA   GLN  50           HA       GLN  50  20.902   4.339  14.905
  344   1HB   GLN  50          1HB       GLN  50  22.472   2.310  13.396
  345   2HB   GLN  50          2HB       GLN  50  23.260   3.011  14.809
  346   1HG   GLN  50          1HG       GLN  50  21.358   2.401  16.219
  347   2HG   GLN  50          2HG       GLN  50  20.489   1.779  14.815
  348   1HE2  GLN  50          1HE2      GLN  50  21.593  -0.099  13.642
  349   2HE2  GLN  50          2HE2      GLN  50  22.518  -1.182  14.565
  Start of MODEL   17
    1    H    ASP   1           H        ASP   1  -2.122  18.086  20.569
    2    HA   ASP   1           HA       ASP   1  -3.810  16.501  18.724
    3   1HB   ASP   1          1HB       ASP   1  -1.160  17.971  18.679
    4   2HB   ASP   1          2HB       ASP   1  -1.709  16.945  17.352
    5    H    SER   2           H        SER   2  -3.206  14.359  18.311
    6    HA   SER   2           HA       SER   2  -0.754  13.253  19.554
    7   1HB   SER   2          1HB       SER   2  -2.419  13.161  21.336
    8   2HB   SER   2          2HB       SER   2  -3.592  12.427  20.246
    9    HG   SER   2           HG       SER   2  -2.188  11.060  21.744
   10    H    PHE   3           H        PHE   3  -3.679  11.504  18.626
   11    HA   PHE   3           HA       PHE   3  -2.177   9.923  16.667
   12   1HB   PHE   3          1HB       PHE   3  -4.709   9.875  18.136
   13   2HB   PHE   3          2HB       PHE   3  -4.893   9.329  16.469
   14    HD1  PHE   3           HD1      PHE   3  -3.901   7.275  15.702
   15    HD2  PHE   3           HD2      PHE   3  -3.091   8.747  19.655
   16    HE1  PHE   3           HE1      PHE   3  -2.869   5.100  16.300
   17    HE2  PHE   3           HE2      PHE   3  -2.059   6.573  20.253
   18    HZ   PHE   3           HZ       PHE   3  -1.948   4.750  18.575
   19    H    TRP   4           H        TRP   4  -4.238   9.551  14.732
   20    HA   TRP   4           HA       TRP   4  -5.296  11.921  13.584
   21   1HB   TRP   4          1HB       TRP   4  -2.424  11.560  13.406
   22   2HB   TRP   4          2HB       TRP   4  -3.141  11.613  11.796
   23    HD1  TRP   4           HD1      TRP   4  -1.749  13.859  14.216
   24    HE1  TRP   4           HE1      TRP   4  -2.648  16.260  13.950
   25    HE3  TRP   4           HE3      TRP   4  -5.795  12.960  11.232
   26    HZ2  TRP   4           HZ2      TRP   4  -4.800  17.620  12.644
   27    HZ3  TRP   4           HZ3      TRP   4  -7.251  14.824  10.493
   28    HH2  TRP   4           HH2      TRP   4  -6.759  17.151  11.195
   29    H    ASN   5           H        ASN   5  -3.795   8.771  13.030
   30    HA   ASN   5           HA       ASN   5  -5.682   8.332  10.738
   31   1HB   ASN   5          1HB       ASN   5  -2.835   7.834  11.218
   32   2HB   ASN   5          2HB       ASN   5  -3.682   6.400  10.639
   33   1HD2  ASN   5          1HD2      ASN   5  -2.276   6.863   8.621
   34   2HD2  ASN   5          2HD2      ASN   5  -2.900   7.944   7.471
   35    HA   PRO   6           HA       PRO   6  -7.084   5.533  14.086
   36   1HB   PRO   6          1HB       PRO   6  -9.730   5.665  13.394
   37   2HB   PRO   6          2HB       PRO   6  -8.945   6.863  14.443
   38   1HG   PRO   6          1HG       PRO   6  -9.616   7.034  11.549
   39   2HG   PRO   6          2HG       PRO   6  -9.706   8.279  12.805
   40   1HD   PRO   6          1HD       PRO   6  -7.686   8.124  10.975
   41   2HD   PRO   6          2HD       PRO   6  -7.498   8.838  12.592
   42    H    ASN   7           H        ASN   7  -9.484   5.165  11.563
   43    HA   ASN   7           HA       ASN   7  -8.157   2.614  10.700
   44   1HB   ASN   7          1HB       ASN   7 -10.349   2.790  12.271
   45   2HB   ASN   7          2HB       ASN   7 -11.124   2.870  10.688
   46   1HD2  ASN   7          1HD2      ASN   7 -12.022   0.670  11.081
   47   2HD2  ASN   7          2HD2      ASN   7 -11.028  -0.694  10.906
   48    H    ALA   8           H        ALA   8  -7.447   4.485   9.059
   49    HA   ALA   8           HA       ALA   8  -9.531   4.983   6.998
   50   1HB   ALA   8          1HB       ALA   8  -7.426   6.432   8.107
   51   2HB   ALA   8          2HB       ALA   8  -8.320   6.870   6.652
   52   3HB   ALA   8          3HB       ALA   8  -6.814   5.962   6.521
   53    H    PHE   9           H        PHE   9  -7.670   5.151   4.808
   54    HA   PHE   9           HA       PHE   9  -7.776   2.567   3.697
   55   1HB   PHE   9          1HB       PHE   9  -6.524   5.163   3.183
   56   2HB   PHE   9          2HB       PHE   9  -5.576   3.821   2.542
   57    HD1  PHE   9           HD1      PHE   9  -8.505   5.873   2.102
   58    HD2  PHE   9           HD2      PHE   9  -6.762   2.079   1.091
   59    HE1  PHE   9           HE1      PHE   9 -10.103   5.640   0.220
   60    HE2  PHE   9           HE2      PHE   9  -8.360   1.846  -0.791
   61    HZ   PHE   9           HZ       PHE   9 -10.031   3.627  -1.227
   62    H    GLU  10           H        GLU  10  -6.620   0.734   4.130
   63    HA   GLU  10           HA       GLU  10  -3.954   1.022   5.459
   64   1HB   GLU  10          1HB       GLU  10  -5.810   0.269   6.948
   65   2HB   GLU  10          2HB       GLU  10  -6.084  -1.081   5.844
   66   1HG   GLU  10          1HG       GLU  10  -4.396  -2.270   6.753
   67   2HG   GLU  10          2HG       GLU  10  -3.285  -0.908   6.605
   68    H    THR  11           H        THR  11  -5.083   0.463   2.654
   69    HA   THR  11           HA       THR  11  -4.321  -2.199   1.880
   70    HB   THR  11           HB       THR  11  -4.169   0.166   0.035
   71    HG1  THR  11           HG1      THR  11  -6.311   0.485   0.162
   72   1HG2  THR  11          1HG2      THR  11  -5.929  -1.817  -0.884
   73   2HG2  THR  11          2HG2      THR  11  -4.609  -2.697  -0.114
   74   3HG2  THR  11          3HG2      THR  11  -4.267  -1.554  -1.413
   75    H    ASP  12           H        ASP  12  -2.573  -1.807  -0.281
   76    HA   ASP  12           HA       ASP  12  -0.024  -2.175   0.702
   77   1HB   ASP  12          1HB       ASP  12   0.674  -1.205  -1.553
   78   2HB   ASP  12          2HB       ASP  12  -0.556  -2.465  -1.623
   79    H    SER  13           H        SER  13   1.792  -0.782   1.110
   80    HA   SER  13           HA       SER  13   1.025   1.982   1.934
   81   1HB   SER  13          1HB       SER  13   3.397   1.632   3.062
   82   2HB   SER  13          2HB       SER  13   1.966   0.871   3.751
   83    HG   SER  13           HG       SER  13   4.157  -0.246   2.589
   84    H    ASP  14           H        ASP  14   3.983   0.420   0.682
   85    HA   ASP  14           HA       ASP  14   4.159   2.271  -1.580
   86   1HB   ASP  14          1HB       ASP  14   6.257   3.335  -0.690
   87   2HB   ASP  14          2HB       ASP  14   4.821   3.730   0.255
   88    H    LEU  15           H        LEU  15   4.167  -0.490  -1.651
   89    HA   LEU  15           HA       LEU  15   6.812  -1.661  -1.491
   90   1HB   LEU  15          1HB       LEU  15   4.178  -2.393  -2.791
   91   2HB   LEU  15          2HB       LEU  15   5.593  -3.435  -2.910
   92    HG   LEU  15           HG       LEU  15   4.304  -4.202  -1.028
   93   1HD1  LEU  15          1HD1      LEU  15   6.877  -3.807  -0.839
   94   2HD1  LEU  15          2HD1      LEU  15   5.967  -4.174   0.626
   95   3HD1  LEU  15          3HD1      LEU  15   6.429  -2.511   0.269
   96   1HD2  LEU  15          1HD2      LEU  15   4.513  -1.479   0.254
   97   2HD2  LEU  15          2HD2      LEU  15   3.416  -2.802   0.649
   98   3HD2  LEU  15          3HD2      LEU  15   3.170  -1.864  -0.823
   99    HA   PRO  16           HA       PRO  16   8.525  -0.533  -5.369
  100   1HB   PRO  16          1HB       PRO  16   9.656  -2.877  -6.223
  101   2HB   PRO  16          2HB       PRO  16  10.323  -1.909  -4.892
  102   1HG   PRO  16          1HG       PRO  16   8.634  -4.360  -4.785
  103   2HG   PRO  16          2HG       PRO  16  10.019  -3.901  -3.782
  104   1HD   PRO  16          1HD       PRO  16   7.444  -3.659  -2.952
  105   2HD   PRO  16          2HD       PRO  16   8.747  -2.584  -2.398
  106    H    ALA  17           H        ALA  17   8.794  -2.077  -7.715
  107    HA   ALA  17           HA       ALA  17   5.950  -2.234  -8.583
  108   1HB   ALA  17          1HB       ALA  17   7.903  -2.557 -10.676
  109   2HB   ALA  17          2HB       ALA  17   8.397  -1.229  -9.625
  110   3HB   ALA  17          3HB       ALA  17   6.811  -1.200 -10.396
  111    H    GLY  18           H        GLY  18   5.047  -4.242  -8.688
  112   1HA   GLY  18          1HA       GLY  18   5.041  -6.449  -9.770
  113   2HA   GLY  18          2HA       GLY  18   6.781  -6.532  -9.509
  114    H    TRP  19           H        TRP  19   5.446  -5.199  -6.758
  115    HA   TRP  19           HA       TRP  19   5.323  -7.902  -5.462
  116   1HB   TRP  19          1HB       TRP  19   6.499  -5.251  -4.751
  117   2HB   TRP  19          2HB       TRP  19   5.875  -6.239  -3.430
  118    HD1  TRP  19           HD1      TRP  19   8.753  -5.919  -5.785
  119    HE1  TRP  19           HE1      TRP  19  10.415  -7.856  -5.423
  120    HE3  TRP  19           HE3      TRP  19   5.952  -8.934  -2.757
  121    HZ2  TRP  19           HZ2      TRP  19  10.539 -10.358  -4.038
  122    HZ3  TRP  19           HZ3      TRP  19   6.866 -11.088  -1.937
  123    HH2  TRP  19           HH2      TRP  19   9.153 -11.801  -2.572
  124    H    MET  20           H        MET  20   3.304  -8.432  -4.768
  125    HA   MET  20           HA       MET  20   1.305  -6.250  -4.346
  126   1HB   MET  20          1HB       MET  20   0.864  -9.229  -4.642
  127   2HB   MET  20          2HB       MET  20  -0.310  -7.942  -4.890
  128   1HG   MET  20          1HG       MET  20   2.110  -8.571  -6.595
  129   2HG   MET  20          2HG       MET  20   0.414  -8.659  -7.070
  130   1HE   MET  20          1HE       MET  20  -0.777  -5.020  -7.055
  131   2HE   MET  20          2HE       MET  20  -0.951  -6.330  -5.890
  132   3HE   MET  20          3HE       MET  20  -1.109  -6.665  -7.612
  133    H    ARG  21           H        ARG  21  -0.256  -6.619  -2.551
  134    HA   ARG  21           HA       ARG  21   1.007  -8.021  -0.215
  135   1HB   ARG  21          1HB       ARG  21   1.089  -5.593  -0.010
  136   2HB   ARG  21          2HB       ARG  21  -0.624  -5.467  -0.414
  137   1HG   ARG  21          1HG       ARG  21  -1.036  -6.979   1.632
  138   2HG   ARG  21          2HG       ARG  21   0.626  -6.602   2.089
  139   1HD   ARG  21          1HD       ARG  21  -0.078  -4.113   1.746
  140   2HD   ARG  21          2HD       ARG  21  -1.734  -4.737   1.879
  141    HE   ARG  21           HE       ARG  21  -0.939  -5.816   4.061
  142   1HH1  ARG  21          1HH1      ARG  21   1.678  -4.147   2.975
  143   2HH1  ARG  21          2HH1      ARG  21   1.830  -3.087   4.335
  144   1HH2  ARG  21          1HH2      ARG  21  -1.229  -3.974   5.707
  145   2HH2  ARG  21          2HH2      ARG  21   0.185  -2.990   5.882
  146    H    VAL  22           H        VAL  22  -0.228  -9.804   0.297
  147    HA   VAL  22           HA       VAL  22  -3.191  -9.625  -0.161
  148    HB   VAL  22           HB       VAL  22  -1.466 -12.106  -0.055
  149   1HG1  VAL  22          1HG1      VAL  22  -4.171 -11.519  -1.297
  150   2HG1  VAL  22          2HG1      VAL  22  -3.906 -12.401   0.207
  151   3HG1  VAL  22          3HG1      VAL  22  -3.343 -13.076  -1.321
  152   1HG2  VAL  22          1HG2      VAL  22  -1.826 -11.871  -2.662
  153   2HG2  VAL  22          2HG2      VAL  22  -0.494 -11.019  -1.880
  154   3HG2  VAL  22          3HG2      VAL  22  -1.979 -10.155  -2.283
  155    H    GLN  23           H        GLN  23  -4.488 -10.948   1.363
  156    HA   GLN  23           HA       GLN  23  -3.222 -11.130   4.079
  157   1HB   GLN  23          1HB       GLN  23  -4.806  -9.276   3.863
  158   2HB   GLN  23          2HB       GLN  23  -6.030 -10.366   3.210
  159   1HG   GLN  23          1HG       GLN  23  -6.709 -10.841   5.300
  160   2HG   GLN  23          2HG       GLN  23  -5.107 -11.486   5.664
  161   1HE2  GLN  23          1HE2      GLN  23  -3.845 -10.310   7.139
  162   2HE2  GLN  23          2HE2      GLN  23  -4.216  -8.746   7.685
  163    H    ASP  24           H        ASP  24  -2.799 -13.393   4.009
  164    HA   ASP  24           HA       ASP  24  -5.063 -15.205   3.334
  165   1HB   ASP  24          1HB       ASP  24  -2.230 -15.173   3.007
  166   2HB   ASP  24          2HB       ASP  24  -2.648 -16.558   4.013
  167    H    THR  25           H        THR  25  -5.056 -17.262   4.828
  168    HA   THR  25           HA       THR  25  -5.927 -16.601   7.419
  169    HB   THR  25           HB       THR  25  -5.409 -19.087   7.817
  170    HG1  THR  25           HG1      THR  25  -4.776 -20.162   5.871
  171   1HG2  THR  25          1HG2      THR  25  -7.544 -19.024   7.065
  172   2HG2  THR  25          2HG2      THR  25  -6.864 -19.545   5.524
  173   3HG2  THR  25          3HG2      THR  25  -7.164 -17.834   5.821
  174    H    SER  26           H        SER  26  -2.759 -18.074   6.585
  175    HA   SER  26           HA       SER  26  -1.530 -17.999   9.084
  176   1HB   SER  26          1HB       SER  26  -0.462 -17.463   6.302
  177   2HB   SER  26          2HB       SER  26   0.575 -17.748   7.695
  178    HG   SER  26           HG       SER  26   0.079 -19.798   7.633
  179    H    GLY  27           H        GLY  27  -1.742 -15.361   6.704
  180   1HA   GLY  27          1HA       GLY  27  -2.027 -13.220   8.421
  181   2HA   GLY  27          2HA       GLY  27  -0.284 -13.494   8.402
  182    H    THR  28           H        THR  28  -0.692 -11.151   7.437
  183    HA   THR  28           HA       THR  28  -1.433 -11.132   4.589
  184    HB   THR  28           HB       THR  28  -0.083  -8.907   6.102
  185    HG1  THR  28           HG1      THR  28  -2.288  -8.435   6.834
  186   1HG2  THR  28          1HG2      THR  28  -1.404  -7.507   4.717
  187   2HG2  THR  28          2HG2      THR  28  -2.496  -8.825   4.290
  188   3HG2  THR  28          3HG2      THR  28  -0.851  -8.799   3.653
  189    H    TYR  29           H        TYR  29   0.052 -11.841   3.098
  190    HA   TYR  29           HA       TYR  29   2.958 -11.364   3.674
  191   1HB   TYR  29          1HB       TYR  29   3.331 -13.341   2.288
  192   2HB   TYR  29          2HB       TYR  29   2.133 -13.725   3.521
  193    HD1  TYR  29           HD1      TYR  29   2.743 -13.229  -0.051
  194    HD2  TYR  29           HD2      TYR  29  -0.274 -13.871   2.938
  195    HE1  TYR  29           HE1      TYR  29   1.119 -13.841  -1.822
  196    HE2  TYR  29           HE2      TYR  29  -1.899 -14.483   1.167
  197    HH   TYR  29           HH       TYR  29  -2.211 -14.823  -1.000
  198    H    TYR  30           H        TYR  30   3.801 -11.914   1.009
  199    HA   TYR  30           HA       TYR  30   2.552  -9.681  -0.552
  200   1HB   TYR  30          1HB       TYR  30   5.482 -10.296  -0.052
  201   2HB   TYR  30          2HB       TYR  30   4.903  -9.064  -1.174
  202    HD1  TYR  30           HD1      TYR  30   5.663  -9.836   2.262
  203    HD2  TYR  30           HD2      TYR  30   3.394  -7.207  -0.265
  204    HE1  TYR  30           HE1      TYR  30   5.429  -8.233   4.141
  205    HE2  TYR  30           HE2      TYR  30   3.160  -5.605   1.613
  206    HH   TYR  30           HH       TYR  30   4.900  -5.330   4.023
  207    H    TRP  31           H        TRP  31   2.067 -10.305  -2.623
  208    HA   TRP  31           HA       TRP  31   3.065 -12.947  -3.561
  209   1HB   TRP  31          1HB       TRP  31   0.705 -12.706  -3.590
  210   2HB   TRP  31          2HB       TRP  31   0.798 -11.090  -4.285
  211    HD1  TRP  31           HD1      TRP  31   2.991 -13.842  -5.699
  212    HE1  TRP  31           HE1      TRP  31   2.186 -14.424  -8.078
  213    HE3  TRP  31           HE3      TRP  31  -1.341 -11.142  -5.850
  214    HZ2  TRP  31           HZ2      TRP  31  -0.006 -13.822  -9.816
  215    HZ3  TRP  31           HZ3      TRP  31  -2.766 -11.163  -7.876
  216    HH2  TRP  31           HH2      TRP  31  -2.105 -12.499  -9.858
  217    H    HIS  32           H        HIS  32   4.935 -12.764  -4.696
  218    HA   HIS  32           HA       HIS  32   5.713 -10.381  -6.169
  219   1HB   HIS  32          1HB       HIS  32   6.994 -12.424  -4.950
  220   2HB   HIS  32          2HB       HIS  32   7.016 -13.026  -6.607
  221    HD1  HIS  32           HD1      HIS  32   9.718 -12.363  -5.673
  222    HD2  HIS  32           HD2      HIS  32   7.216  -9.389  -7.178
  223    HE1  HIS  32           HE1      HIS  32  11.222 -10.459  -6.396
  224    H    ILE  33           H        ILE  33   4.671  -9.922  -8.051
  225    HA   ILE  33           HA       ILE  33   3.278 -11.804  -9.701
  226    HB   ILE  33           HB       ILE  33   4.362  -9.031 -10.291
  227   1HG1  ILE  33          1HG1      ILE  33   1.853 -10.019  -8.907
  228   2HG1  ILE  33          2HG1      ILE  33   3.063  -8.897  -8.285
  229   1HG2  ILE  33          1HG2      ILE  33   1.801 -10.081 -11.407
  230   2HG2  ILE  33          2HG2      ILE  33   3.296 -10.708 -12.102
  231   3HG2  ILE  33          3HG2      ILE  33   2.970  -8.975 -12.128
  232   1HD1  ILE  33          1HD1      ILE  33   2.414  -7.209  -9.904
  233   2HD1  ILE  33          2HD1      ILE  33   0.963  -7.766  -9.071
  234   3HD1  ILE  33          3HD1      ILE  33   1.319  -8.339 -10.701
  235    HA   PRO  34           HA       PRO  34   7.084 -11.414 -12.593
  236   1HB   PRO  34          1HB       PRO  34   9.472 -10.710 -11.459
  237   2HB   PRO  34          2HB       PRO  34   8.335  -9.534 -12.146
  238   1HG   PRO  34          1HG       PRO  34   8.849 -10.238  -9.313
  239   2HG   PRO  34          2HG       PRO  34   8.431  -8.677 -10.034
  240   1HD   PRO  34          1HD       PRO  34   6.671 -10.306  -8.692
  241   2HD   PRO  34          2HD       PRO  34   6.195  -9.066  -9.872
  242    H    THR  35           H        THR  35   8.446 -12.209  -9.349
  243    HA   THR  35           HA       THR  35   9.604 -14.694 -10.434
  244    HB   THR  35           HB       THR  35  10.681 -14.791  -8.290
  245    HG1  THR  35           HG1      THR  35   9.776 -14.025  -6.546
  246   1HG2  THR  35          1HG2      THR  35  11.949 -12.969  -8.677
  247   2HG2  THR  35          2HG2      THR  35  10.621 -11.880  -8.282
  248   3HG2  THR  35          3HG2      THR  35  10.773 -12.527  -9.915
  249    H    GLY  36           H        GLY  36   6.613 -13.774  -9.128
  250   1HA   GLY  36          1HA       GLY  36   4.762 -15.023  -8.411
  251   2HA   GLY  36          2HA       GLY  36   5.541 -16.414  -9.167
  252    H    THR  37           H        THR  37   7.520 -14.890  -6.850
  253    HA   THR  37           HA       THR  37   7.249 -17.203  -5.037
  254    HB   THR  37           HB       THR  37   8.977 -14.745  -4.729
  255    HG1  THR  37           HG1      THR  37   9.059 -16.783  -6.608
  256   1HG2  THR  37          1HG2      THR  37  10.339 -17.136  -4.125
  257   2HG2  THR  37          2HG2      THR  37   8.732 -17.299  -3.416
  258   3HG2  THR  37          3HG2      THR  37   9.750 -15.924  -2.988
  259    H    THR  38           H        THR  38   6.911 -16.851  -2.699
  260    HA   THR  38           HA       THR  38   5.264 -14.402  -2.123
  261    HB   THR  38           HB       THR  38   4.569 -16.467  -0.339
  262    HG1  THR  38           HG1      THR  38   4.679 -18.260  -1.418
  263   1HG2  THR  38          1HG2      THR  38   3.317 -14.679  -1.978
  264   2HG2  THR  38          2HG2      THR  38   2.486 -15.966  -1.104
  265   3HG2  THR  38          3HG2      THR  38   2.945 -16.198  -2.791
  266    H    GLN  39           H        GLN  39   5.460 -13.600   0.108
  267    HA   GLN  39           HA       GLN  39   7.754 -14.693   1.677
  268   1HB   GLN  39          1HB       GLN  39   7.375 -11.797   0.847
  269   2HB   GLN  39          2HB       GLN  39   8.698 -12.425   1.830
  270   1HG   GLN  39          1HG       GLN  39   8.909 -14.081  -0.287
  271   2HG   GLN  39          2HG       GLN  39   8.236 -12.666  -1.097
  272   1HE2  GLN  39          1HE2      GLN  39  11.149 -14.037   0.014
  273   2HE2  GLN  39          2HE2      GLN  39  12.109 -12.639  -0.037
  274    H    TRP  40           H        TRP  40   7.552 -12.089   3.262
  275    HA   TRP  40           HA       TRP  40   4.854 -12.310   4.478
  276   1HB   TRP  40          1HB       TRP  40   7.477 -12.943   5.866
  277   2HB   TRP  40          2HB       TRP  40   5.940 -12.739   6.708
  278    HD1  TRP  40           HD1      TRP  40   7.811 -15.107   4.395
  279    HE1  TRP  40           HE1      TRP  40   6.540 -17.347   4.283
  280    HE3  TRP  40           HE3      TRP  40   3.557 -13.836   6.918
  281    HZ2  TRP  40           HZ2      TRP  40   4.050 -18.454   5.150
  282    HZ3  TRP  40           HZ3      TRP  40   1.753 -15.500   7.260
  283    HH2  TRP  40           HH2      TRP  40   1.993 -17.806   6.380
  284    H    GLU  41           H        GLU  41   8.082 -10.808   4.521
  285    HA   GLU  41           HA       GLU  41   6.942  -8.381   5.826
  286   1HB   GLU  41          1HB       GLU  41   9.810  -9.037   5.100
  287   2HB   GLU  41          2HB       GLU  41   9.248  -7.859   6.286
  288   1HG   GLU  41          1HG       GLU  41   8.118  -9.874   7.455
  289   2HG   GLU  41          2HG       GLU  41   9.178 -10.868   6.456
  290    HA   PRO  42           HA       PRO  42   7.009  -6.052   2.112
  291   1HB   PRO  42          1HB       PRO  42   7.876  -3.606   2.982
  292   2HB   PRO  42          2HB       PRO  42   6.259  -4.243   3.344
  293   1HG   PRO  42          1HG       PRO  42   8.686  -4.153   5.061
  294   2HG   PRO  42          2HG       PRO  42   6.988  -3.905   5.492
  295   1HD   PRO  42          1HD       PRO  42   8.352  -6.224   5.973
  296   2HD   PRO  42          2HD       PRO  42   6.591  -6.142   5.746
  297    HA   PRO  43           HA       PRO  43  11.265  -6.508   0.842
  298   1HB   PRO  43          1HB       PRO  43  10.835  -6.004  -1.814
  299   2HB   PRO  43          2HB       PRO  43  10.447  -7.559  -1.052
  300   1HG   PRO  43          1HG       PRO  43   8.647  -5.301  -1.766
  301   2HG   PRO  43          2HG       PRO  43   8.367  -7.046  -1.873
  302   1HD   PRO  43          1HD       PRO  43   7.370  -5.472   0.124
  303   2HD   PRO  43          2HD       PRO  43   7.715  -7.205   0.314
  304    H    GLY  44           H        GLY  44  11.680  -4.425   2.069
  305   1HA   GLY  44          1HA       GLY  44  11.851  -2.087   0.209
  306   2HA   GLY  44          2HA       GLY  44  11.640  -1.928   1.953
  307    H    ARG  45           H        ARG  45  13.681  -0.516   1.303
  308    HA   ARG  45           HA       ARG  45  16.186  -1.920   0.886
  309   1HB   ARG  45          1HB       ARG  45  15.143   0.785   1.192
  310   2HB   ARG  45          2HB       ARG  45  16.686   0.589   2.022
  311   1HG   ARG  45          1HG       ARG  45  17.560  -0.494  -0.109
  312   2HG   ARG  45          2HG       ARG  45  16.080   0.059  -0.894
  313   1HD   ARG  45          1HD       ARG  45  18.108   1.844   0.504
  314   2HD   ARG  45          2HD       ARG  45  17.865   1.716  -1.249
  315    HE   ARG  45           HE       ARG  45  15.343   2.281  -0.438
  316   1HH1  ARG  45          1HH1      ARG  45  16.825   4.499  -1.649
  317   2HH1  ARG  45          2HH1      ARG  45  16.886   5.679  -0.383
  318   1HH2  ARG  45          1HH2      ARG  45  16.092   3.418   2.123
  319   2HH2  ARG  45          2HH2      ARG  45  16.473   5.067   1.753
  320    H    ALA  46           H        ALA  46  17.734  -2.504   2.437
  321    HA   ALA  46           HA       ALA  46  18.418  -3.328   4.550
  322   1HB   ALA  46          1HB       ALA  46  17.347  -0.545   5.111
  323   2HB   ALA  46          2HB       ALA  46  19.002  -0.975   4.679
  324   3HB   ALA  46          3HB       ALA  46  18.345  -1.457   6.243
  325    H    SER  47           H        SER  47  16.080  -1.434   6.282
  326    HA   SER  47           HA       SER  47  14.200  -2.072   7.564
  327   1HB   SER  47          1HB       SER  47  13.954  -3.090   4.977
  328   2HB   SER  47          2HB       SER  47  13.622  -4.479   6.009
  329    HG   SER  47           HG       SER  47  12.156  -3.052   7.162
  330    HA   PRO  48           HA       PRO  48  16.095  -5.109  10.174
  331   1HB   PRO  48          1HB       PRO  48  14.179  -5.125  12.128
  332   2HB   PRO  48          2HB       PRO  48  15.369  -3.820  11.952
  333   1HG   PRO  48          1HG       PRO  48  12.518  -3.906  11.111
  334   2HG   PRO  48          2HG       PRO  48  13.456  -2.567  11.788
  335   1HD   PRO  48          1HD       PRO  48  12.869  -2.817   9.131
  336   2HD   PRO  48          2HD       PRO  48  14.293  -1.953   9.751
  337    H    SER  49           H        SER  49  15.316  -7.232  11.279
  338    HA   SER  49           HA       SER  49  12.938  -8.472  10.024
  339   1HB   SER  49          1HB       SER  49  15.461  -8.593   8.832
  340   2HB   SER  49          2HB       SER  49  15.320 -10.131   9.678
  341    HG   SER  49           HG       SER  49  14.352 -10.437   7.734
  342    H    GLN  50           H        GLN  50  12.181 -10.221  11.269
  343    HA   GLN  50           HA       GLN  50  13.895 -11.140  13.543
  344   1HB   GLN  50          1HB       GLN  50  11.783  -9.315  13.694
  345   2HB   GLN  50          2HB       GLN  50  11.068 -10.844  14.208
  346   1HG   GLN  50          1HG       GLN  50  13.210 -11.083  15.674
  347   2HG   GLN  50          2HG       GLN  50  13.384  -9.346  15.418
  348   1HE2  GLN  50          1HE2      GLN  50  11.252  -8.055  15.903
  349   2HE2  GLN  50          2HE2      GLN  50  10.359  -8.562  17.254
  Start of MODEL   18
    1    H    ASP   1           H        ASP   1  -3.827  16.762  -6.259
    2    HA   ASP   1           HA       ASP   1  -1.808  14.705  -5.600
    3   1HB   ASP   1          1HB       ASP   1  -3.126  16.759  -3.901
    4   2HB   ASP   1          2HB       ASP   1  -3.117  15.114  -3.263
    5    H    SER   2           H        SER   2  -3.177  12.970  -4.311
    6    HA   SER   2           HA       SER   2  -4.856  11.317  -4.604
    7   1HB   SER   2          1HB       SER   2  -5.770  13.673  -3.489
    8   2HB   SER   2          2HB       SER   2  -6.936  13.392  -4.779
    9    HG   SER   2           HG       SER   2  -7.769  11.988  -3.464
   10    H    PHE   3           H        PHE   3  -4.110  10.900  -6.883
   11    HA   PHE   3           HA       PHE   3  -5.941  12.044  -8.956
   12   1HB   PHE   3          1HB       PHE   3  -3.231  11.915  -8.850
   13   2HB   PHE   3          2HB       PHE   3  -3.575  10.394  -9.671
   14    HD1  PHE   3           HD1      PHE   3  -5.892  10.920 -11.300
   15    HD2  PHE   3           HD2      PHE   3  -2.562  13.494 -10.441
   16    HE1  PHE   3           HE1      PHE   3  -6.296  12.150 -13.415
   17    HE2  PHE   3           HE2      PHE   3  -2.966  14.724 -12.557
   18    HZ   PHE   3           HZ       PHE   3  -4.835  14.052 -14.043
   19    H    TRP   4           H        TRP   4  -7.219  10.160  -7.442
   20    HA   TRP   4           HA       TRP   4  -8.083   8.191  -9.272
   21   1HB   TRP   4          1HB       TRP   4  -5.514   7.692  -8.055
   22   2HB   TRP   4          2HB       TRP   4  -6.657   6.450  -7.544
   23    HD1  TRP   4           HD1      TRP   4  -8.421   6.360 -10.184
   24    HE1  TRP   4           HE1      TRP   4  -7.449   5.286 -12.315
   25    HE3  TRP   4           HE3      TRP   4  -3.434   6.670  -9.131
   26    HZ2  TRP   4           HZ2      TRP   4  -4.894   4.643 -13.428
   27    HZ3  TRP   4           HZ3      TRP   4  -1.754   5.819 -10.743
   28    HH2  TRP   4           HH2      TRP   4  -2.477   4.807 -12.889
   29    H    ASN   5           H        ASN   5  -7.116   7.367  -5.962
   30    HA   ASN   5           HA       ASN   5  -9.898   7.832  -5.000
   31   1HB   ASN   5          1HB       ASN   5  -8.705   5.314  -5.766
   32   2HB   ASN   5          2HB       ASN   5  -9.076   5.294  -4.042
   33   1HD2  ASN   5          1HD2      ASN   5 -10.511   3.830  -6.220
   34   2HD2  ASN   5          2HD2      ASN   5 -12.119   4.367  -6.155
   35    HA   PRO   6           HA       PRO   6  -7.479   9.110  -1.518
   36   1HB   PRO   6          1HB       PRO   6  -9.558   9.525   0.212
   37   2HB   PRO   6          2HB       PRO   6  -9.158  10.645  -1.104
   38   1HG   PRO   6          1HG       PRO   6 -11.294   8.582  -0.960
   39   2HG   PRO   6          2HG       PRO   6 -11.328  10.195  -1.690
   40   1HD   PRO   6          1HD       PRO   6 -11.035   7.877  -3.118
   41   2HD   PRO   6          2HD       PRO   6 -10.436   9.461  -3.660
   42    H    ASN   7           H        ASN   7 -10.131   7.731   0.296
   43    HA   ASN   7           HA       ASN   7  -8.276   5.659   1.369
   44   1HB   ASN   7          1HB       ASN   7 -10.043   5.633   3.188
   45   2HB   ASN   7          2HB       ASN   7  -9.229   7.182   2.982
   46   1HD2  ASN   7          1HD2      ASN   7 -12.293   5.481   2.549
   47   2HD2  ASN   7          2HD2      ASN   7 -13.207   6.855   2.149
   48    H    ALA   8           H        ALA   8  -9.282   5.000  -1.150
   49    HA   ALA   8           HA       ALA   8 -11.522   3.092  -0.573
   50   1HB   ALA   8          1HB       ALA   8 -12.157   3.405  -2.823
   51   2HB   ALA   8          2HB       ALA   8 -10.545   3.945  -3.295
   52   3HB   ALA   8          3HB       ALA   8 -11.590   5.006  -2.349
   53    H    PHE   9           H        PHE   9 -11.332   0.945  -1.607
   54    HA   PHE   9           HA       PHE   9  -8.926  -0.422  -1.134
   55   1HB   PHE   9          1HB       PHE   9 -11.515  -0.930  -2.103
   56   2HB   PHE   9          2HB       PHE   9 -10.433  -1.528  -3.362
   57    HD1  PHE   9           HD1      PHE   9  -9.415  -3.624  -3.120
   58    HD2  PHE   9           HD2      PHE   9 -10.913  -1.590   0.355
   59    HE1  PHE   9           HE1      PHE   9  -8.898  -5.614  -1.732
   60    HE2  PHE   9           HE2      PHE   9 -10.396  -3.580   1.741
   61    HZ   PHE   9           HZ       PHE   9  -9.389  -5.591   0.698
   62    H    GLU  10           H        GLU  10  -6.969  -0.176  -2.132
   63    HA   GLU  10           HA       GLU  10  -6.947   0.426  -5.071
   64   1HB   GLU  10          1HB       GLU  10  -5.868   1.860  -2.752
   65   2HB   GLU  10          2HB       GLU  10  -4.651   1.558  -3.993
   66   1HG   GLU  10          1HG       GLU  10  -6.804   2.342  -5.507
   67   2HG   GLU  10          2HG       GLU  10  -7.000   3.335  -4.062
   68    H    THR  11           H        THR  11  -4.408   0.121  -5.736
   69    HA   THR  11           HA       THR  11  -3.864  -2.709  -5.415
   70    HB   THR  11           HB       THR  11  -1.859  -0.714  -6.415
   71    HG1  THR  11           HG1      THR  11  -4.074  -1.466  -7.975
   72   1HG2  THR  11          1HG2      THR  11  -1.105  -2.489  -7.602
   73   2HG2  THR  11          2HG2      THR  11  -2.733  -2.954  -8.097
   74   3HG2  THR  11          3HG2      THR  11  -2.111  -3.460  -6.526
   75    H    ASP  12           H        ASP  12  -1.052  -2.719  -5.167
   76    HA   ASP  12           HA       ASP  12  -0.516  -3.087  -2.492
   77   1HB   ASP  12          1HB       ASP  12   1.862  -2.435  -3.180
   78   2HB   ASP  12          2HB       ASP  12   1.079  -3.646  -4.190
   79    H    SER  13           H        SER  13  -0.121  -1.779  -0.709
   80    HA   SER  13           HA       SER  13  -0.942   0.978  -0.745
   81   1HB   SER  13          1HB       SER  13  -0.264  -1.079   1.099
   82   2HB   SER  13          2HB       SER  13   0.684   0.344   1.514
   83    HG   SER  13           HG       SER  13  -1.838  -0.095   2.044
   84    H    ASP  14           H        ASP  14   2.223  -0.121   0.431
   85    HA   ASP  14           HA       ASP  14   3.513   2.035  -1.206
   86   1HB   ASP  14          1HB       ASP  14   3.989   1.297   1.701
   87   2HB   ASP  14          2HB       ASP  14   4.864   2.543   0.811
   88    H    LEU  15           H        LEU  15   3.497  -0.630  -2.065
   89    HA   LEU  15           HA       LEU  15   6.097  -1.800  -1.199
   90   1HB   LEU  15          1HB       LEU  15   3.645  -2.728  -2.691
   91   2HB   LEU  15          2HB       LEU  15   5.135  -3.662  -2.765
   92    HG   LEU  15           HG       LEU  15   3.811  -4.550  -0.953
   93   1HD1  LEU  15          1HD1      LEU  15   5.666  -2.837   0.624
   94   2HD1  LEU  15          2HD1      LEU  15   6.381  -3.800  -0.669
   95   3HD1  LEU  15          3HD1      LEU  15   5.479  -4.591   0.624
   96   1HD2  LEU  15          1HD2      LEU  15   2.510  -3.279   0.407
   97   2HD2  LEU  15          2HD2      LEU  15   2.804  -1.988  -0.759
   98   3HD2  LEU  15          3HD2      LEU  15   3.799  -2.110   0.693
   99    HA   PRO  16           HA       PRO  16   8.194  -0.697  -4.887
  100   1HB   PRO  16          1HB       PRO  16   9.478  -3.011  -5.596
  101   2HB   PRO  16          2HB       PRO  16   9.971  -2.013  -4.213
  102   1HG   PRO  16          1HG       PRO  16   8.350  -4.511  -4.258
  103   2HG   PRO  16          2HG       PRO  16   9.612  -4.007  -3.123
  104   1HD   PRO  16          1HD       PRO  16   6.966  -3.833  -2.556
  105   2HD   PRO  16          2HD       PRO  16   8.172  -2.706  -1.894
  106    H    ALA  17           H        ALA  17   8.751  -2.243  -7.180
  107    HA   ALA  17           HA       ALA  17   6.045  -2.386  -8.384
  108   1HB   ALA  17          1HB       ALA  17   8.078  -2.894 -10.277
  109   2HB   ALA  17          2HB       ALA  17   8.751  -1.708  -9.158
  110   3HB   ALA  17          3HB       ALA  17   7.240  -1.366 -10.004
  111    H    GLY  18           H        GLY  18   5.084  -4.307  -8.914
  112   1HA   GLY  18          1HA       GLY  18   4.974  -6.571  -9.645
  113   2HA   GLY  18          2HA       GLY  18   6.711  -6.718  -9.399
  114    H    TRP  19           H        TRP  19   5.275  -5.272  -6.696
  115    HA   TRP  19           HA       TRP  19   5.171  -7.935  -5.320
  116   1HB   TRP  19          1HB       TRP  19   6.304  -5.246  -4.642
  117   2HB   TRP  19          2HB       TRP  19   5.737  -6.273  -3.327
  118    HD1  TRP  19           HD1      TRP  19   8.608  -5.762  -5.612
  119    HE1  TRP  19           HE1      TRP  19  10.324  -7.670  -5.347
  120    HE3  TRP  19           HE3      TRP  19   5.849  -9.052  -2.847
  121    HZ2  TRP  19           HZ2      TRP  19  10.498 -10.254  -4.129
  122    HZ3  TRP  19           HZ3      TRP  19   6.814 -11.230  -2.154
  123    HH2  TRP  19           HH2      TRP  19   9.132 -11.831  -2.791
  124    H    MET  20           H        MET  20   3.137  -8.437  -4.634
  125    HA   MET  20           HA       MET  20   1.153  -6.227  -4.281
  126   1HB   MET  20          1HB       MET  20   0.781  -9.221  -4.589
  127   2HB   MET  20          2HB       MET  20  -0.476  -7.993  -4.703
  128   1HG   MET  20          1HG       MET  20   1.932  -7.974  -6.517
  129   2HG   MET  20          2HG       MET  20   0.466  -8.870  -6.917
  130   1HE   MET  20          1HE       MET  20   1.412  -4.769  -7.952
  131   2HE   MET  20          2HE       MET  20   2.359  -6.229  -7.677
  132   3HE   MET  20          3HE       MET  20   1.976  -5.167  -6.323
  133    H    ARG  21           H        ARG  21  -0.493  -6.660  -2.525
  134    HA   ARG  21           HA       ARG  21   0.793  -7.911  -0.117
  135   1HB   ARG  21          1HB       ARG  21   0.486  -5.325  -0.373
  136   2HB   ARG  21          2HB       ARG  21  -1.217  -5.663  -0.057
  137   1HG   ARG  21          1HG       ARG  21  -0.661  -6.730   2.061
  138   2HG   ARG  21          2HG       ARG  21   1.063  -6.547   1.735
  139   1HD   ARG  21          1HD       ARG  21   0.272  -3.965   1.453
  140   2HD   ARG  21          2HD       ARG  21  -0.898  -4.522   2.666
  141    HE   ARG  21           HE       ARG  21   1.952  -5.239   3.085
  142   1HH1  ARG  21          1HH1      ARG  21   1.179  -2.272   3.493
  143   2HH1  ARG  21          2HH1      ARG  21   0.901  -2.257   5.203
  144   1HH2  ARG  21          1HH2      ARG  21   0.728  -5.711   5.472
  145   2HH2  ARG  21          2HH2      ARG  21   0.644  -4.204   6.324
  146    H    VAL  22           H        VAL  22  -0.316  -9.860   0.083
  147    HA   VAL  22           HA       VAL  22  -3.278  -9.840  -0.329
  148    HB   VAL  22           HB       VAL  22  -1.328 -12.145  -0.089
  149   1HG1  VAL  22          1HG1      VAL  22  -3.398 -12.982  -1.651
  150   2HG1  VAL  22          2HG1      VAL  22  -4.235 -11.865  -0.573
  151   3HG1  VAL  22          3HG1      VAL  22  -3.330 -13.223   0.095
  152   1HG2  VAL  22          1HG2      VAL  22  -1.570 -12.196  -2.620
  153   2HG2  VAL  22          2HG2      VAL  22  -0.647 -10.830  -1.993
  154   3HG2  VAL  22          3HG2      VAL  22  -2.319 -10.602  -2.505
  155    H    GLN  23           H        GLN  23  -4.504 -11.275   1.213
  156    HA   GLN  23           HA       GLN  23  -3.345 -11.137   3.979
  157   1HB   GLN  23          1HB       GLN  23  -5.379  -9.661   3.065
  158   2HB   GLN  23          2HB       GLN  23  -6.289 -11.123   3.449
  159   1HG   GLN  23          1HG       GLN  23  -5.741 -11.019   5.732
  160   2HG   GLN  23          2HG       GLN  23  -4.363  -9.954   5.447
  161   1HE2  GLN  23          1HE2      GLN  23  -4.773  -7.667   5.209
  162   2HE2  GLN  23          2HE2      GLN  23  -6.298  -6.985   5.513
  163    H    ASP  24           H        ASP  24  -2.580 -13.363   3.767
  164    HA   ASP  24           HA       ASP  24  -4.475 -15.503   3.130
  165   1HB   ASP  24          1HB       ASP  24  -1.662 -15.072   3.370
  166   2HB   ASP  24          2HB       ASP  24  -2.104 -16.430   4.402
  167    H    THR  25           H        THR  25  -4.720 -17.346   4.765
  168    HA   THR  25           HA       THR  25  -6.003 -16.478   7.139
  169    HB   THR  25           HB       THR  25  -5.988 -18.870   7.675
  170    HG1  THR  25           HG1      THR  25  -4.542 -20.208   6.815
  171   1HG2  THR  25          1HG2      THR  25  -6.230 -19.493   4.947
  172   2HG2  THR  25          2HG2      THR  25  -6.657 -17.787   5.074
  173   3HG2  THR  25          3HG2      THR  25  -7.523 -18.984   6.035
  174    H    SER  26           H        SER  26  -2.619 -17.215   6.508
  175    HA   SER  26           HA       SER  26  -1.861 -17.366   9.331
  176   1HB   SER  26          1HB       SER  26  -0.655 -17.587   6.647
  177   2HB   SER  26          2HB       SER  26   0.426 -16.927   7.872
  178    HG   SER  26           HG       SER  26  -0.914 -19.411   7.803
  179    H    GLY  27           H        GLY  27  -2.161 -14.859   6.905
  180   1HA   GLY  27          1HA       GLY  27  -2.325 -12.627   8.410
  181   2HA   GLY  27          2HA       GLY  27  -0.588 -12.929   8.490
  182    H    THR  28           H        THR  28  -1.046 -10.622   7.344
  183    HA   THR  28           HA       THR  28  -1.571 -10.838   4.462
  184    HB   THR  28           HB       THR  28  -0.599  -8.591   6.257
  185    HG1  THR  28           HG1      THR  28  -2.661  -8.161   6.531
  186   1HG2  THR  28          1HG2      THR  28  -1.952  -7.642   3.950
  187   2HG2  THR  28          2HG2      THR  28  -0.746  -8.802   3.396
  188   3HG2  THR  28          3HG2      THR  28  -0.256  -7.417   4.372
  189    H    TYR  29           H        TYR  29   0.021 -11.597   3.117
  190    HA   TYR  29           HA       TYR  29   2.871 -11.027   3.860
  191   1HB   TYR  29          1HB       TYR  29   3.363 -13.084   2.615
  192   2HB   TYR  29          2HB       TYR  29   2.127 -13.405   3.829
  193    HD1  TYR  29           HD1      TYR  29   2.857 -13.137   0.251
  194    HD2  TYR  29           HD2      TYR  29  -0.241 -13.688   3.174
  195    HE1  TYR  29           HE1      TYR  29   1.321 -13.931  -1.526
  196    HE2  TYR  29           HE2      TYR  29  -1.778 -14.482   1.397
  197    HH   TYR  29           HH       TYR  29  -1.554 -13.930  -1.605
  198    H    TYR  30           H        TYR  30   3.821 -11.816   1.225
  199    HA   TYR  30           HA       TYR  30   2.740  -9.583  -0.463
  200   1HB   TYR  30          1HB       TYR  30   5.592 -10.393   0.171
  201   2HB   TYR  30          2HB       TYR  30   5.172  -9.244  -1.099
  202    HD1  TYR  30           HD1      TYR  30   3.692  -7.223  -0.422
  203    HD2  TYR  30           HD2      TYR  30   5.833  -9.660   2.393
  204    HE1  TYR  30           HE1      TYR  30   3.535  -5.412   1.265
  205    HE2  TYR  30           HE2      TYR  30   5.677  -7.849   4.080
  206    HH   TYR  30           HH       TYR  30   4.795  -5.861   4.565
  207    H    TRP  31           H        TRP  31   2.542 -10.082  -2.659
  208    HA   TRP  31           HA       TRP  31   3.320 -12.866  -3.458
  209   1HB   TRP  31          1HB       TRP  31   0.949 -12.614  -3.433
  210   2HB   TRP  31          2HB       TRP  31   1.037 -11.025  -4.188
  211    HD1  TRP  31           HD1      TRP  31   3.188 -13.835  -5.540
  212    HE1  TRP  31           HE1      TRP  31   2.339 -14.503  -7.882
  213    HE3  TRP  31           HE3      TRP  31  -1.139 -11.128  -5.716
  214    HZ2  TRP  31           HZ2      TRP  31   0.119 -13.960  -9.600
  215    HZ3  TRP  31           HZ3      TRP  31  -2.600 -11.222  -7.714
  216    HH2  TRP  31           HH2      TRP  31  -1.977 -12.633  -9.655
  217    H    HIS  32           H        HIS  32   5.160 -12.719  -4.672
  218    HA   HIS  32           HA       HIS  32   5.875 -10.358  -6.213
  219   1HB   HIS  32          1HB       HIS  32   7.195 -12.419  -5.025
  220   2HB   HIS  32          2HB       HIS  32   7.198 -12.971  -6.701
  221    HD1  HIS  32           HD1      HIS  32   9.902 -12.255  -5.724
  222    HD2  HIS  32           HD2      HIS  32   7.327  -9.348  -7.239
  223    HE1  HIS  32           HE1      HIS  32  11.359 -10.312  -6.441
  224    H    ILE  33           H        ILE  33   4.618  -9.957  -7.998
  225    HA   ILE  33           HA       ILE  33   3.270 -11.904  -9.596
  226    HB   ILE  33           HB       ILE  33   4.207  -9.102 -10.291
  227   1HG1  ILE  33          1HG1      ILE  33   1.858 -10.121  -8.663
  228   2HG1  ILE  33          2HG1      ILE  33   3.067  -8.925  -8.201
  229   1HG2  ILE  33          1HG2      ILE  33   1.874 -10.792 -11.256
  230   2HG2  ILE  33          2HG2      ILE  33   3.303 -10.362 -12.197
  231   3HG2  ILE  33          3HG2      ILE  33   2.161  -9.112 -11.705
  232   1HD1  ILE  33          1HD1      ILE  33   1.123  -8.530 -10.490
  233   2HD1  ILE  33          2HD1      ILE  33   2.203  -7.326  -9.788
  234   3HD1  ILE  33          3HD1      ILE  33   0.839  -7.940  -8.855
  235    HA   PRO  34           HA       PRO  34   6.920 -11.328 -12.654
  236   1HB   PRO  34          1HB       PRO  34   9.315 -10.489 -11.638
  237   2HB   PRO  34          2HB       PRO  34   8.081  -9.381 -12.268
  238   1HG   PRO  34          1HG       PRO  34   8.770 -10.049  -9.462
  239   2HG   PRO  34          2HG       PRO  34   8.232  -8.516 -10.162
  240   1HD   PRO  34          1HD       PRO  34   6.633 -10.235  -8.735
  241   2HD   PRO  34          2HD       PRO  34   6.033  -9.026  -9.890
  242    H    THR  35           H        THR  35   8.413 -12.065  -9.455
  243    HA   THR  35           HA       THR  35   9.735 -14.440 -10.596
  244    HB   THR  35           HB       THR  35  10.831 -14.495  -8.458
  245    HG1  THR  35           HG1      THR  35   9.865 -13.851  -6.703
  246   1HG2  THR  35          1HG2      THR  35  10.261 -11.562  -8.897
  247   2HG2  THR  35          2HG2      THR  35  11.243 -12.499 -10.023
  248   3HG2  THR  35          3HG2      THR  35  11.759 -12.312  -8.347
  249    H    GLY  36           H        GLY  36   6.687 -13.780  -9.274
  250   1HA   GLY  36          1HA       GLY  36   4.943 -15.182  -8.569
  251   2HA   GLY  36          2HA       GLY  36   5.833 -16.499  -9.335
  252    H    THR  37           H        THR  37   7.710 -14.869  -7.008
  253    HA   THR  37           HA       THR  37   7.571 -17.206  -5.211
  254    HB   THR  37           HB       THR  37   9.159 -14.674  -4.830
  255    HG1  THR  37           HG1      THR  37  10.746 -15.976  -6.134
  256   1HG2  THR  37          1HG2      THR  37   9.477 -16.156  -3.036
  257   2HG2  THR  37          2HG2      THR  37  10.845 -16.491  -4.098
  258   3HG2  THR  37          3HG2      THR  37   9.452 -17.573  -4.087
  259    H    THR  38           H        THR  38   7.143 -16.937  -2.903
  260    HA   THR  38           HA       THR  38   5.446 -14.540  -2.285
  261    HB   THR  38           HB       THR  38   4.678 -16.640  -0.604
  262    HG1  THR  38           HG1      THR  38   5.147 -18.389  -1.632
  263   1HG2  THR  38          1HG2      THR  38   2.632 -16.214  -1.530
  264   2HG2  THR  38          2HG2      THR  38   3.239 -16.340  -3.181
  265   3HG2  THR  38          3HG2      THR  38   3.487 -14.855  -2.261
  266    H    GLN  39           H        GLN  39   5.593 -13.762  -0.080
  267    HA   GLN  39           HA       GLN  39   7.738 -14.928   1.626
  268   1HB   GLN  39          1HB       GLN  39   7.626 -12.046   0.671
  269   2HB   GLN  39          2HB       GLN  39   8.841 -12.728   1.754
  270   1HG   GLN  39          1HG       GLN  39   9.195 -14.461  -0.190
  271   2HG   GLN  39          2HG       GLN  39   8.439 -13.215  -1.184
  272   1HE2  GLN  39          1HE2      GLN  39  11.435 -14.267  -0.174
  273   2HE2  GLN  39          2HE2      GLN  39  12.294 -12.807  -0.285
  274    H    TRP  40           H        TRP  40   7.601 -12.198   3.062
  275    HA   TRP  40           HA       TRP  40   4.837 -12.143   4.097
  276   1HB   TRP  40          1HB       TRP  40   7.236 -13.072   5.707
  277   2HB   TRP  40          2HB       TRP  40   5.657 -12.705   6.403
  278    HD1  TRP  40           HD1      TRP  40   7.519 -15.309   4.395
  279    HE1  TRP  40           HE1      TRP  40   6.012 -17.376   4.072
  280    HE3  TRP  40           HE3      TRP  40   3.099 -13.464   6.166
  281    HZ2  TRP  40           HZ2      TRP  40   3.292 -18.145   4.508
  282    HZ3  TRP  40           HZ3      TRP  40   1.068 -14.883   6.201
  283    HH2  TRP  40           HH2      TRP  40   1.158 -17.220   5.374
  284    H    GLU  41           H        GLU  41   8.207 -11.042   4.405
  285    HA   GLU  41           HA       GLU  41   7.378  -8.559   5.780
  286   1HB   GLU  41          1HB       GLU  41  10.058  -9.559   4.758
  287   2HB   GLU  41          2HB       GLU  41   9.818  -8.199   5.854
  288   1HG   GLU  41          1HG       GLU  41   8.673  -9.803   7.443
  289   2HG   GLU  41          2HG       GLU  41   9.205 -11.115   6.390
  290    HA   PRO  42           HA       PRO  42   7.246  -6.070   2.167
  291   1HB   PRO  42          1HB       PRO  42   8.300  -3.715   3.079
  292   2HB   PRO  42          2HB       PRO  42   6.684  -4.292   3.535
  293   1HG   PRO  42          1HG       PRO  42   9.230  -4.395   5.067
  294   2HG   PRO  42          2HG       PRO  42   7.580  -4.103   5.635
  295   1HD   PRO  42          1HD       PRO  42   8.881  -6.496   5.892
  296   2HD   PRO  42          2HD       PRO  42   7.112  -6.330   5.822
  297    HA   PRO  43           HA       PRO  43  11.437  -6.794   0.714
  298   1HB   PRO  43          1HB       PRO  43  10.810  -6.636  -1.947
  299   2HB   PRO  43          2HB       PRO  43  10.517  -8.088  -0.970
  300   1HG   PRO  43          1HG       PRO  43   8.614  -5.966  -1.822
  301   2HG   PRO  43          2HG       PRO  43   8.373  -7.716  -1.698
  302   1HD   PRO  43          1HD       PRO  43   7.472  -5.936   0.163
  303   2HD   PRO  43          2HD       PRO  43   7.892  -7.622   0.539
  304    H    GLY  44           H        GLY  44  12.944  -5.177   0.558
  305   1HA   GLY  44          1HA       GLY  44  13.189  -3.118  -1.213
  306   2HA   GLY  44          2HA       GLY  44  12.078  -2.434  -0.025
  307    H    ARG  45           H        ARG  45  12.861  -1.917   2.048
  308    HA   ARG  45           HA       ARG  45  15.842  -2.091   2.351
  309   1HB   ARG  45          1HB       ARG  45  13.960   0.064   2.384
  310   2HB   ARG  45          2HB       ARG  45  14.637  -0.088   4.006
  311   1HG   ARG  45          1HG       ARG  45  16.808   0.340   3.290
  312   2HG   ARG  45          2HG       ARG  45  16.484  -0.214   1.647
  313   1HD   ARG  45          1HD       ARG  45  16.700   2.235   1.651
  314   2HD   ARG  45          2HD       ARG  45  15.009   1.806   1.326
  315    HE   ARG  45           HE       ARG  45  15.914   2.390   4.116
  316   1HH1  ARG  45          1HH1      ARG  45  14.604   3.946   1.469
  317   2HH1  ARG  45          2HH1      ARG  45  13.171   4.499   2.269
  318   1HH2  ARG  45          1HH2      ARG  45  13.736   2.635   5.138
  319   2HH2  ARG  45          2HH2      ARG  45  12.680   3.757   4.348
  320    H    ALA  46           H        ALA  46  16.422  -3.500   3.955
  321    HA   ALA  46           HA       ALA  46  14.666  -3.691   6.378
  322   1HB   ALA  46          1HB       ALA  46  15.167  -6.154   6.305
  323   2HB   ALA  46          2HB       ALA  46  15.970  -5.900   4.756
  324   3HB   ALA  46          3HB       ALA  46  14.240  -5.593   4.913
  325    H    SER  47           H        SER  47  16.482  -2.094   7.045
  326    HA   SER  47           HA       SER  47  19.204  -2.776   7.294
  327   1HB   SER  47          1HB       SER  47  18.869  -0.630   7.985
  328   2HB   SER  47          2HB       SER  47  17.233  -0.973   8.542
  329    HG   SER  47           HG       SER  47  19.696  -1.266   9.870
  330    HA   PRO  48           HA       PRO  48  18.307  -4.763  11.541
  331   1HB   PRO  48          1HB       PRO  48  15.703  -5.005  12.343
  332   2HB   PRO  48          2HB       PRO  48  16.688  -3.568  12.680
  333   1HG   PRO  48          1HG       PRO  48  14.613  -3.992  10.594
  334   2HG   PRO  48          2HG       PRO  48  14.973  -2.548  11.552
  335   1HD   PRO  48          1HD       PRO  48  15.756  -2.884   8.953
  336   2HD   PRO  48          2HD       PRO  48  16.604  -1.845  10.118
  337    H    SER  49           H        SER  49  18.888  -6.516   9.971
  338    HA   SER  49           HA       SER  49  16.626  -8.336   9.266
  339   1HB   SER  49          1HB       SER  49  18.718  -7.349   7.814
  340   2HB   SER  49          2HB       SER  49  19.392  -8.884   8.358
  341    HG   SER  49           HG       SER  49  16.770  -8.843   7.388
  342    H    GLN  50           H        GLN  50  19.502  -8.075  11.252
  343    HA   GLN  50           HA       GLN  50  19.950 -10.850  11.800
  344   1HB   GLN  50          1HB       GLN  50  21.106  -9.888  13.814
  345   2HB   GLN  50          2HB       GLN  50  21.550  -9.081  12.309
  346   1HG   GLN  50          1HG       GLN  50  20.987  -7.155  13.351
  347   2HG   GLN  50          2HG       GLN  50  19.314  -7.669  13.138
  348   1HE2  GLN  50          1HE2      GLN  50  19.751  -6.107  15.353
  349   2HE2  GLN  50          2HE2      GLN  50  19.741  -7.042  16.770
  Start of MODEL   19
    1    H    ASP   1           H        ASP   1   0.796  10.138  14.214
    2    HA   ASP   1           HA       ASP   1  -1.469  10.670  16.043
    3   1HB   ASP   1          1HB       ASP   1   0.464  12.443  15.920
    4   2HB   ASP   1          2HB       ASP   1  -0.171  12.758  14.305
    5    H    SER   2           H        SER   2  -1.088   8.803  13.788
    6    HA   SER   2           HA       SER   2  -1.969   9.830  11.290
    7   1HB   SER   2          1HB       SER   2  -2.325   7.538  10.781
    8   2HB   SER   2          2HB       SER   2  -1.072   7.514  12.018
    9    HG   SER   2           HG       SER   2  -2.580   6.084  12.703
   10    H    PHE   3           H        PHE   3  -4.306   8.657  10.551
   11    HA   PHE   3           HA       PHE   3  -6.380   9.584  12.500
   12   1HB   PHE   3          1HB       PHE   3  -5.506  10.888  10.138
   13   2HB   PHE   3          2HB       PHE   3  -7.091  10.205   9.771
   14    HD1  PHE   3           HD1      PHE   3  -5.993  13.201  10.392
   15    HD2  PHE   3           HD2      PHE   3  -8.322  10.271  12.501
   16    HE1  PHE   3           HE1      PHE   3  -7.078  15.006  11.703
   17    HE2  PHE   3           HE2      PHE   3  -9.407  12.076  13.810
   18    HZ   PHE   3           HZ       PHE   3  -8.785  14.443  13.412
   19    H    TRP   4           H        TRP   4  -6.629   8.524   9.108
   20    HA   TRP   4           HA       TRP   4  -8.827   6.806   9.449
   21   1HB   TRP   4          1HB       TRP   4  -6.544   7.059   7.518
   22   2HB   TRP   4          2HB       TRP   4  -7.654   5.698   7.348
   23    HD1  TRP   4           HD1      TRP   4  -9.126   8.867   8.725
   24    HE1  TRP   4           HE1      TRP   4 -10.649   9.957   6.954
   25    HE3  TRP   4           HE3      TRP   4  -7.926   6.022   4.658
   26    HZ2  TRP   4           HZ2      TRP   4 -11.276   9.661   4.178
   27    HZ3  TRP   4           HZ3      TRP   4  -9.000   6.446   2.466
   28    HH2  TRP   4           HH2      TRP   4 -10.671   8.261   2.220
   29    H    ASN   5           H        ASN   5  -8.740   4.341   9.182
   30    HA   ASN   5           HA       ASN   5  -6.909   3.226  11.219
   31   1HB   ASN   5          1HB       ASN   5  -9.532   2.713  10.091
   32   2HB   ASN   5          2HB       ASN   5  -8.565   1.239  10.101
   33   1HD2  ASN   5          1HD2      ASN   5 -10.851   1.697  11.859
   34   2HD2  ASN   5          2HD2      ASN   5 -10.264   1.713  13.452
   35    HA   PRO   6           HA       PRO   6  -4.172   1.495   8.236
   36   1HB   PRO   6          1HB       PRO   6  -3.108  -0.524   9.746
   37   2HB   PRO   6          2HB       PRO   6  -2.693   1.185   9.990
   38   1HG   PRO   6          1HG       PRO   6  -4.552  -0.550  11.528
   39   2HG   PRO   6          2HG       PRO   6  -3.461   0.721  12.097
   40   1HD   PRO   6          1HD       PRO   6  -6.163   1.048  11.779
   41   2HD   PRO   6          2HD       PRO   6  -4.985   2.377  11.716
   42    H    ASN   7           H        ASN   7  -6.443  -0.585   9.964
   43    HA   ASN   7           HA       ASN   7  -6.294  -2.617   7.779
   44   1HB   ASN   7          1HB       ASN   7  -6.974  -2.528  10.666
   45   2HB   ASN   7          2HB       ASN   7  -7.947  -3.631   9.693
   46   1HD2  ASN   7          1HD2      ASN   7  -4.515  -2.795  10.384
   47   2HD2  ASN   7          2HD2      ASN   7  -3.919  -4.358  10.092
   48    H    ALA   8           H        ALA   8  -7.542  -0.235   7.006
   49    HA   ALA   8           HA       ALA   8 -10.464  -0.583   7.369
   50   1HB   ALA   8          1HB       ALA   8 -10.412   1.563   5.970
   51   2HB   ALA   8          2HB       ALA   8  -8.654   1.466   6.070
   52   3HB   ALA   8          3HB       ALA   8  -9.612   1.649   7.539
   53    H    PHE   9           H        PHE   9  -9.060   0.562   4.369
   54    HA   PHE   9           HA       PHE   9  -9.336  -1.896   2.864
   55   1HB   PHE   9          1HB       PHE   9 -11.716  -0.830   3.645
   56   2HB   PHE   9          2HB       PHE   9 -11.488   0.001   2.106
   57    HD1  PHE   9           HD1      PHE   9 -11.830  -1.122   0.050
   58    HD2  PHE   9           HD2      PHE   9 -11.522  -3.375   3.694
   59    HE1  PHE   9           HE1      PHE   9 -12.509  -3.176  -1.163
   60    HE2  PHE   9           HE2      PHE   9 -12.201  -5.429   2.483
   61    HZ   PHE   9           HZ       PHE   9 -12.695  -5.330   0.054
   62    H    GLU  10           H        GLU  10  -7.278  -0.967   2.107
   63    HA   GLU  10           HA       GLU  10  -7.698   1.026  -0.076
   64   1HB   GLU  10          1HB       GLU  10  -6.638   1.632   2.424
   65   2HB   GLU  10          2HB       GLU  10  -5.206   1.389   1.421
   66   1HG   GLU  10          1HG       GLU  10  -7.307   2.938   0.079
   67   2HG   GLU  10          2HG       GLU  10  -6.687   3.719   1.535
   68    H    THR  11           H        THR  11  -5.184   1.246  -1.041
   69    HA   THR  11           HA       THR  11  -4.673  -1.324  -2.267
   70    HB   THR  11           HB       THR  11  -2.679   0.911  -2.246
   71    HG1  THR  11           HG1      THR  11  -4.226   2.275  -2.598
   72   1HG2  THR  11          1HG2      THR  11  -2.052  -0.149  -4.123
   73   2HG2  THR  11          2HG2      THR  11  -3.651   0.115  -4.820
   74   3HG2  THR  11          3HG2      THR  11  -3.333  -1.336  -3.867
   75    H    ASP  12           H        ASP  12  -2.045  -1.815  -2.295
   76    HA   ASP  12           HA       ASP  12  -1.465  -3.023   0.236
   77   1HB   ASP  12          1HB       ASP  12   0.743  -3.421  -0.870
   78   2HB   ASP  12          2HB       ASP  12  -0.616  -3.815  -1.922
   79    H    SER  13           H        SER  13   1.026  -2.464   1.037
   80    HA   SER  13           HA       SER  13   0.805   0.256   2.154
   81   1HB   SER  13          1HB       SER  13   3.017  -0.685   3.250
   82   2HB   SER  13          2HB       SER  13   1.454  -1.337   3.733
   83    HG   SER  13           HG       SER  13   2.383  -3.151   3.164
   84    H    ASP  14           H        ASP  14   1.204   0.480  -0.579
   85    HA   ASP  14           HA       ASP  14   2.624   1.504  -2.163
   86   1HB   ASP  14          1HB       ASP  14   3.904   2.245   0.484
   87   2HB   ASP  14          2HB       ASP  14   4.387   2.954  -1.057
   88    H    LEU  15           H        LEU  15   3.106  -1.215  -1.949
   89    HA   LEU  15           HA       LEU  15   5.833  -1.904  -1.306
   90   1HB   LEU  15          1HB       LEU  15   3.489  -3.084  -2.740
   91   2HB   LEU  15          2HB       LEU  15   5.063  -3.827  -3.010
   92    HG   LEU  15           HG       LEU  15   3.766  -4.824  -1.085
   93   1HD1  LEU  15          1HD1      LEU  15   6.046  -5.289  -0.943
   94   2HD1  LEU  15          2HD1      LEU  15   5.782  -4.421   0.569
   95   3HD1  LEU  15          3HD1      LEU  15   6.490  -3.587  -0.814
   96   1HD2  LEU  15          1HD2      LEU  15   4.295  -2.066   0.067
   97   2HD2  LEU  15          2HD2      LEU  15   3.776  -3.454   1.023
   98   3HD2  LEU  15          3HD2      LEU  15   2.720  -2.800  -0.229
   99    HA   PRO  16           HA       PRO  16   8.054  -0.748  -4.907
  100   1HB   PRO  16          1HB       PRO  16   9.403  -3.026  -5.627
  101   2HB   PRO  16          2HB       PRO  16   9.838  -2.043  -4.213
  102   1HG   PRO  16          1HG       PRO  16   8.240  -4.558  -4.344
  103   2HG   PRO  16          2HG       PRO  16   9.488  -4.078  -3.182
  104   1HD   PRO  16          1HD       PRO  16   6.856  -3.927  -2.616
  105   2HD   PRO  16          2HD       PRO  16   8.034  -2.764  -1.966
  106    H    ALA  17           H        ALA  17   8.707  -2.238  -7.219
  107    HA   ALA  17           HA       ALA  17   6.063  -2.330  -8.532
  108   1HB   ALA  17          1HB       ALA  17   8.078  -2.923 -10.371
  109   2HB   ALA  17          2HB       ALA  17   8.864  -1.862  -9.202
  110   3HB   ALA  17          3HB       ALA  17   7.411  -1.323 -10.045
  111    H    GLY  18           H        GLY  18   5.012  -4.214  -8.973
  112   1HA   GLY  18          1HA       GLY  18   4.809  -6.468  -9.718
  113   2HA   GLY  18          2HA       GLY  18   6.536  -6.690  -9.464
  114    H    TRP  19           H        TRP  19   5.755  -5.278  -6.670
  115    HA   TRP  19           HA       TRP  19   5.324  -7.918  -5.357
  116   1HB   TRP  19          1HB       TRP  19   6.483  -5.251  -4.626
  117   2HB   TRP  19          2HB       TRP  19   5.896  -6.299  -3.333
  118    HD1  TRP  19           HD1      TRP  19   8.784  -5.794  -5.624
  119    HE1  TRP  19           HE1      TRP  19  10.481  -7.716  -5.356
  120    HE3  TRP  19           HE3      TRP  19   5.998  -9.055  -2.848
  121    HZ2  TRP  19           HZ2      TRP  19  10.636 -10.296  -4.130
  122    HZ3  TRP  19           HZ3      TRP  19   6.945 -11.237  -2.148
  123    HH2  TRP  19           HH2      TRP  19   9.258 -11.859  -2.785
  124    H    MET  20           H        MET  20   3.378  -8.396  -4.440
  125    HA   MET  20           HA       MET  20   1.364  -6.190  -4.176
  126   1HB   MET  20          1HB       MET  20   0.918  -9.170  -4.479
  127   2HB   MET  20          2HB       MET  20  -0.264  -7.886  -4.712
  128   1HG   MET  20          1HG       MET  20   2.211  -8.350  -6.402
  129   2HG   MET  20          2HG       MET  20   0.548  -8.687  -6.886
  130   1HE   MET  20          1HE       MET  20  -1.343  -6.579  -6.365
  131   2HE   MET  20          2HE       MET  20  -0.930  -7.240  -7.945
  132   3HE   MET  20          3HE       MET  20  -1.066  -5.496  -7.737
  133    H    ARG  21           H        ARG  21  -0.247  -6.560  -2.409
  134    HA   ARG  21           HA       ARG  21   0.977  -7.943  -0.042
  135   1HB   ARG  21          1HB       ARG  21   1.090  -5.589   0.307
  136   2HB   ARG  21          2HB       ARG  21  -0.513  -5.334  -0.383
  137   1HG   ARG  21          1HG       ARG  21  -1.531  -6.532   1.514
  138   2HG   ARG  21          2HG       ARG  21   0.070  -6.808   2.202
  139   1HD   ARG  21          1HD       ARG  21   0.233  -4.666   2.988
  140   2HD   ARG  21          2HD       ARG  21  -0.536  -3.980   1.543
  141    HE   ARG  21           HE       ARG  21  -2.516  -5.480   2.896
  142   1HH1  ARG  21          1HH1      ARG  21  -0.417  -3.590   4.609
  143   2HH1  ARG  21          2HH1      ARG  21  -1.574  -2.401   5.108
  144   1HH2  ARG  21          1HH2      ARG  21  -4.074  -3.570   3.009
  145   2HH2  ARG  21          2HH2      ARG  21  -3.645  -2.391   4.202
  146    H    VAL  22           H        VAL  22  -0.242  -9.835   0.099
  147    HA   VAL  22           HA       VAL  22  -3.202  -9.632  -0.286
  148    HB   VAL  22           HB       VAL  22  -1.461 -12.094  -0.077
  149   1HG1  VAL  22          1HG1      VAL  22  -3.508 -12.578  -1.846
  150   2HG1  VAL  22          2HG1      VAL  22  -4.277 -11.498  -0.684
  151   3HG1  VAL  22          3HG1      VAL  22  -3.539 -13.002  -0.134
  152   1HG2  VAL  22          1HG2      VAL  22  -1.741 -11.922  -2.696
  153   2HG2  VAL  22          2HG2      VAL  22  -0.446 -11.035  -1.893
  154   3HG2  VAL  22          3HG2      VAL  22  -1.927 -10.200  -2.362
  155    H    GLN  23           H        GLN  23  -4.531 -10.958   1.227
  156    HA   GLN  23           HA       GLN  23  -3.345 -11.055   3.982
  157   1HB   GLN  23          1HB       GLN  23  -5.603  -9.672   2.845
  158   2HB   GLN  23          2HB       GLN  23  -6.175 -10.815   4.061
  159   1HG   GLN  23          1HG       GLN  23  -3.819  -9.036   4.642
  160   2HG   GLN  23          2HG       GLN  23  -5.463  -8.428   4.836
  161   1HE2  GLN  23          1HE2      GLN  23  -5.384  -8.365   7.176
  162   2HE2  GLN  23          2HE2      GLN  23  -5.311  -9.779   8.112
  163    H    ASP  24           H        ASP  24  -2.820 -13.352   3.638
  164    HA   ASP  24           HA       ASP  24  -5.067 -15.199   3.095
  165   1HB   ASP  24          1HB       ASP  24  -2.239 -15.124   2.775
  166   2HB   ASP  24          2HB       ASP  24  -2.625 -16.490   3.820
  167    H    THR  25           H        THR  25  -5.119 -17.203   4.615
  168    HA   THR  25           HA       THR  25  -5.964 -16.505   7.201
  169    HB   THR  25           HB       THR  25  -5.447 -19.000   7.623
  170    HG1  THR  25           HG1      THR  25  -4.590 -20.110   5.980
  171   1HG2  THR  25          1HG2      THR  25  -7.445 -19.473   6.645
  172   2HG2  THR  25          2HG2      THR  25  -6.923 -18.881   5.068
  173   3HG2  THR  25          3HG2      THR  25  -7.478 -17.745   6.297
  174    H    SER  26           H        SER  26  -2.770 -17.831   6.250
  175    HA   SER  26           HA       SER  26  -1.520 -17.839   8.769
  176   1HB   SER  26          1HB       SER  26  -0.653 -17.458   5.921
  177   2HB   SER  26          2HB       SER  26   0.540 -17.285   7.204
  178    HG   SER  26           HG       SER  26  -0.642 -19.410   7.891
  179    H    GLY  27           H        GLY  27  -2.161 -15.135   6.596
  180   1HA   GLY  27          1HA       GLY  27  -2.373 -13.027   8.217
  181   2HA   GLY  27          2HA       GLY  27  -0.633 -13.289   8.341
  182    H    THR  28           H        THR  28  -1.080 -10.918   7.357
  183    HA   THR  28           HA       THR  28  -1.569 -10.865   4.477
  184    HB   THR  28           HB       THR  28  -0.402  -8.804   6.375
  185    HG1  THR  28           HG1      THR  28  -2.482  -8.187   6.706
  186   1HG2  THR  28          1HG2      THR  28  -0.100  -8.383   3.917
  187   2HG2  THR  28          2HG2      THR  28  -1.099  -7.176   4.727
  188   3HG2  THR  28          3HG2      THR  28  -1.854  -8.431   3.744
  189    H    TYR  29           H        TYR  29  -0.015 -11.653   3.089
  190    HA   TYR  29           HA       TYR  29   2.858 -11.233   3.838
  191   1HB   TYR  29          1HB       TYR  29   3.278 -13.247   2.531
  192   2HB   TYR  29          2HB       TYR  29   1.980 -13.575   3.677
  193    HD1  TYR  29           HD1      TYR  29   2.829 -13.024   0.138
  194    HD2  TYR  29           HD2      TYR  29  -0.334 -13.840   2.928
  195    HE1  TYR  29           HE1      TYR  29   1.334 -13.653  -1.739
  196    HE2  TYR  29           HE2      TYR  29  -1.829 -14.468   1.051
  197    HH   TYR  29           HH       TYR  29  -1.182 -13.727  -2.139
  198    H    TYR  30           H        TYR  30   3.886 -11.833   1.270
  199    HA   TYR  30           HA       TYR  30   2.839  -9.559  -0.385
  200   1HB   TYR  30          1HB       TYR  30   5.646 -10.392   0.379
  201   2HB   TYR  30          2HB       TYR  30   5.331  -9.300  -0.970
  202    HD1  TYR  30           HD1      TYR  30   6.029  -9.434   2.465
  203    HD2  TYR  30           HD2      TYR  30   3.586  -7.343  -0.381
  204    HE1  TYR  30           HE1      TYR  30   5.807  -7.539   4.049
  205    HE2  TYR  30           HE2      TYR  30   3.362  -5.447   1.203
  206    HH   TYR  30           HH       TYR  30   4.175  -5.671   4.460
  207    H    TRP  31           H        TRP  31   2.258 -10.241  -2.409
  208    HA   TRP  31           HA       TRP  31   3.198 -12.911  -3.338
  209   1HB   TRP  31          1HB       TRP  31   0.826 -12.592  -3.287
  210   2HB   TRP  31          2HB       TRP  31   0.950 -11.032  -4.097
  211    HD1  TRP  31           HD1      TRP  31   3.040 -13.949  -5.323
  212    HE1  TRP  31           HE1      TRP  31   2.197 -14.676  -7.649
  213    HE3  TRP  31           HE3      TRP  31  -1.200 -11.121  -5.651
  214    HZ2  TRP  31           HZ2      TRP  31   0.015 -14.131  -9.414
  215    HZ3  TRP  31           HZ3      TRP  31  -2.641 -11.244  -7.664
  216    HH2  TRP  31           HH2      TRP  31  -2.040 -12.744  -9.545
  217    H    HIS  32           H        HIS  32   4.951 -12.858  -4.652
  218    HA   HIS  32           HA       HIS  32   5.712 -10.447  -6.133
  219   1HB   HIS  32          1HB       HIS  32   7.058 -12.456  -4.925
  220   2HB   HIS  32          2HB       HIS  32   7.041 -13.074  -6.576
  221    HD1  HIS  32           HD1      HIS  32   9.763 -12.354  -5.768
  222    HD2  HIS  32           HD2      HIS  32   7.139  -9.427  -7.152
  223    HE1  HIS  32           HE1      HIS  32  11.198 -10.422  -6.556
  224    H    ILE  33           H        ILE  33   4.528 -10.045  -7.939
  225    HA   ILE  33           HA       ILE  33   3.158 -11.989  -9.534
  226    HB   ILE  33           HB       ILE  33   4.070  -9.163 -10.158
  227   1HG1  ILE  33          1HG1      ILE  33   1.632 -10.248  -8.709
  228   2HG1  ILE  33          2HG1      ILE  33   2.869  -9.175  -8.056
  229   1HG2  ILE  33          1HG2      ILE  33   2.873 -10.989 -11.836
  230   2HG2  ILE  33          2HG2      ILE  33   2.725  -9.239 -11.990
  231   3HG2  ILE  33          3HG2      ILE  33   1.477 -10.158 -11.149
  232   1HD1  ILE  33          1HD1      ILE  33   2.180  -7.369  -9.465
  233   2HD1  ILE  33          2HD1      ILE  33   0.703  -8.041  -8.775
  234   3HD1  ILE  33          3HD1      ILE  33   1.157  -8.429 -10.434
  235    HA   PRO  34           HA       PRO  34   6.793 -11.372 -12.596
  236   1HB   PRO  34          1HB       PRO  34   9.193 -10.551 -11.577
  237   2HB   PRO  34          2HB       PRO  34   7.960  -9.432 -12.189
  238   1HG   PRO  34          1HG       PRO  34   8.660 -10.132  -9.396
  239   2HG   PRO  34          2HG       PRO  34   8.117  -8.592 -10.074
  240   1HD   PRO  34          1HD       PRO  34   6.527 -10.337  -8.662
  241   2HD   PRO  34          2HD       PRO  34   5.920  -9.107  -9.791
  242    H    THR  35           H        THR  35   8.353 -12.120  -9.433
  243    HA   THR  35           HA       THR  35   9.591 -14.527 -10.603
  244    HB   THR  35           HB       THR  35  10.820 -14.560  -8.564
  245    HG1  THR  35           HG1      THR  35   8.605 -13.121  -7.588
  246   1HG2  THR  35          1HG2      THR  35  10.270 -11.629  -8.618
  247   2HG2  THR  35          2HG2      THR  35  10.849 -12.378 -10.106
  248   3HG2  THR  35          3HG2      THR  35  11.813 -12.483  -8.632
  249    H    GLY  36           H        GLY  36   6.642 -13.763  -9.080
  250   1HA   GLY  36          1HA       GLY  36   4.871 -15.134  -8.376
  251   2HA   GLY  36          2HA       GLY  36   5.734 -16.488  -9.106
  252    H    THR  37           H        THR  37   7.744 -14.899  -6.917
  253    HA   THR  37           HA       THR  37   7.578 -17.136  -5.020
  254    HB   THR  37           HB       THR  37   9.170 -14.625  -4.617
  255    HG1  THR  37           HG1      THR  37  10.699 -15.582  -6.115
  256   1HG2  THR  37          1HG2      THR  37   9.102 -17.108  -3.412
  257   2HG2  THR  37          2HG2      THR  37  10.432 -15.956  -3.305
  258   3HG2  THR  37          3HG2      THR  37  10.474 -17.241  -4.511
  259    H    THR  38           H        THR  38   7.106 -16.836  -2.738
  260    HA   THR  38           HA       THR  38   5.434 -14.403  -2.160
  261    HB   THR  38           HB       THR  38   4.639 -16.420  -0.427
  262    HG1  THR  38           HG1      THR  38   4.349 -18.193  -1.911
  263   1HG2  THR  38          1HG2      THR  38   3.266 -16.374  -3.041
  264   2HG2  THR  38          2HG2      THR  38   3.500 -14.791  -2.298
  265   3HG2  THR  38          3HG2      THR  38   2.629 -16.055  -1.428
  266    H    GLN  39           H        GLN  39   5.663 -13.520  -0.015
  267    HA   GLN  39           HA       GLN  39   7.822 -14.684   1.691
  268   1HB   GLN  39          1HB       GLN  39   7.627 -11.800   0.759
  269   2HB   GLN  39          2HB       GLN  39   8.877 -12.463   1.813
  270   1HG   GLN  39          1HG       GLN  39   9.086 -14.194  -0.243
  271   2HG   GLN  39          2HG       GLN  39   8.518 -12.774  -1.122
  272   1HE2  GLN  39          1HE2      GLN  39  11.314 -14.257   0.100
  273   2HE2  GLN  39          2HE2      GLN  39  12.345 -12.910   0.066
  274    H    TRP  40           H        TRP  40   7.689 -12.023   3.184
  275    HA   TRP  40           HA       TRP  40   4.933 -12.026   4.267
  276   1HB   TRP  40          1HB       TRP  40   7.406 -13.065   5.642
  277   2HB   TRP  40          2HB       TRP  40   6.078 -12.394   6.590
  278    HD1  TRP  40           HD1      TRP  40   7.214 -15.534   5.100
  279    HE1  TRP  40           HE1      TRP  40   5.306 -17.267   5.021
  280    HE3  TRP  40           HE3      TRP  40   3.224 -12.498   6.073
  281    HZ2  TRP  40           HZ2      TRP  40   2.464 -17.353   5.330
  282    HZ3  TRP  40           HZ3      TRP  40   0.930 -13.432   6.175
  283    HH2  TRP  40           HH2      TRP  40   0.546 -15.853   5.805
  284    H    GLU  41           H        GLU  41   8.279 -10.828   4.549
  285    HA   GLU  41           HA       GLU  41   7.329  -8.313   5.805
  286   1HB   GLU  41          1HB       GLU  41   9.932  -9.719   5.300
  287   2HB   GLU  41          2HB       GLU  41   9.954  -7.988   5.624
  288   1HG   GLU  41          1HG       GLU  41   8.197  -9.042   7.535
  289   2HG   GLU  41          2HG       GLU  41   9.533 -10.192   7.471
  290    HA   PRO  42           HA       PRO  42   7.550  -5.894   2.155
  291   1HB   PRO  42          1HB       PRO  42   8.860  -3.634   2.974
  292   2HB   PRO  42          2HB       PRO  42   7.193  -4.014   3.453
  293   1HG   PRO  42          1HG       PRO  42   9.725  -4.354   4.981
  294   2HG   PRO  42          2HG       PRO  42   8.128  -3.836   5.543
  295   1HD   PRO  42          1HD       PRO  42   9.110  -6.355   5.911
  296   2HD   PRO  42          2HD       PRO  42   7.375  -5.983   5.794
  297    HA   PRO  43           HA       PRO  43  11.573  -7.006   0.566
  298   1HB   PRO  43          1HB       PRO  43  11.013  -6.456  -2.055
  299   2HB   PRO  43          2HB       PRO  43  10.459  -7.930  -1.238
  300   1HG   PRO  43          1HG       PRO  43   8.965  -5.433  -1.854
  301   2HG   PRO  43          2HG       PRO  43   8.419  -7.117  -1.899
  302   1HD   PRO  43          1HD       PRO  43   7.840  -5.385   0.135
  303   2HD   PRO  43          2HD       PRO  43   7.921  -7.150   0.330
  304    H    GLY  44           H        GLY  44  13.060  -5.429   1.170
  305   1HA   GLY  44          1HA       GLY  44  14.454  -3.561   0.791
  306   2HA   GLY  44          2HA       GLY  44  13.480  -3.175  -0.628
  307    H    ARG  45           H        ARG  45  14.399  -1.309   1.428
  308    HA   ARG  45           HA       ARG  45  11.780  -0.510   2.651
  309   1HB   ARG  45          1HB       ARG  45  13.652  -1.044   4.191
  310   2HB   ARG  45          2HB       ARG  45  14.640   0.183   3.399
  311   1HG   ARG  45          1HG       ARG  45  13.808   1.596   4.965
  312   2HG   ARG  45          2HG       ARG  45  12.343   1.584   3.983
  313   1HD   ARG  45          1HD       ARG  45  12.140  -0.748   5.515
  314   2HD   ARG  45          2HD       ARG  45  12.766   0.470   6.645
  315    HE   ARG  45           HE       ARG  45  10.874   1.960   5.633
  316   1HH1  ARG  45          1HH1      ARG  45  10.306  -0.357   7.704
  317   2HH1  ARG  45          2HH1      ARG  45   8.797  -0.928   7.073
  318   1HH2  ARG  45          1HH2      ARG  45   9.121   0.752   4.057
  319   2HH2  ARG  45          2HH2      ARG  45   8.126  -0.299   5.008
  320    H    ALA  46           H        ALA  46  11.016   1.578   2.228
  321    HA   ALA  46           HA       ALA  46  10.825   3.646   1.098
  322   1HB   ALA  46          1HB       ALA  46  13.672   4.004   0.627
  323   2HB   ALA  46          2HB       ALA  46  13.373   3.407   2.259
  324   3HB   ALA  46          3HB       ALA  46  12.607   4.898   1.712
  325    H    SER  47           H        SER  47  12.096   4.763  -1.014
  326    HA   SER  47           HA       SER  47  11.988   2.627  -3.117
  327   1HB   SER  47          1HB       SER  47  10.469   4.900  -2.751
  328   2HB   SER  47          2HB       SER  47  11.689   5.453  -3.895
  329    HG   SER  47           HG       SER  47  10.120   3.098  -4.160
  330    HA   PRO  48           HA       PRO  48  16.317   3.880  -3.374
  331   1HB   PRO  48          1HB       PRO  48  17.095   1.707  -4.844
  332   2HB   PRO  48          2HB       PRO  48  16.892   1.657  -3.082
  333   1HG   PRO  48          1HG       PRO  48  15.066   0.698  -5.225
  334   2HG   PRO  48          2HG       PRO  48  15.429  -0.016  -3.647
  335   1HD   PRO  48          1HD       PRO  48  13.158   1.407  -4.181
  336   2HD   PRO  48          2HD       PRO  48  13.882   1.272  -2.564
  337    H    SER  49           H        SER  49  17.710   3.258  -5.745
  338    HA   SER  49           HA       SER  49  16.033   4.402  -7.941
  339   1HB   SER  49          1HB       SER  49  18.702   5.401  -6.903
  340   2HB   SER  49          2HB       SER  49  17.943   5.976  -8.383
  341    HG   SER  49           HG       SER  49  16.805   6.053  -5.778
  342    H    GLN  50           H        GLN  50  17.535   4.412 -10.034
  343    HA   GLN  50           HA       GLN  50  18.675   3.077 -11.617
  344   1HB   GLN  50          1HB       GLN  50  20.133   2.177  -9.112
  345   2HB   GLN  50          2HB       GLN  50  20.756   2.138 -10.762
  346   1HG   GLN  50          1HG       GLN  50  20.680   4.571 -10.893
  347   2HG   GLN  50          2HG       GLN  50  19.935   4.663  -9.297
  348   1HE2  GLN  50          1HE2      GLN  50  22.956   4.509 -10.963
  349   2HE2  GLN  50          2HE2      GLN  50  23.948   4.327  -9.598
  Start of MODEL   20
    1    H    ASP   1           H        ASP   1 -27.577   0.387  -9.784
    2    HA   ASP   1           HA       ASP   1 -26.689   3.166  -9.432
    3   1HB   ASP   1          1HB       ASP   1 -27.489   0.738  -7.907
    4   2HB   ASP   1          2HB       ASP   1 -26.271   1.767  -7.152
    5    H    SER   2           H        SER   2 -24.637   2.580  -7.614
    6    HA   SER   2           HA       SER   2 -22.374   2.195  -9.342
    7   1HB   SER   2          1HB       SER   2 -21.227   2.056  -7.030
    8   2HB   SER   2          2HB       SER   2 -22.136   3.521  -7.387
    9    HG   SER   2           HG       SER   2 -23.127   1.250  -5.994
   10    H    PHE   3           H        PHE   3 -24.363  -0.026  -7.525
   11    HA   PHE   3           HA       PHE   3 -24.310  -2.388  -7.422
   12   1HB   PHE   3          1HB       PHE   3 -23.171  -1.526  -9.882
   13   2HB   PHE   3          2HB       PHE   3 -22.175  -2.856  -9.291
   14    HD1  PHE   3           HD1      PHE   3 -25.781  -1.898  -9.690
   15    HD2  PHE   3           HD2      PHE   3 -22.863  -5.051  -9.692
   16    HE1  PHE   3           HE1      PHE   3 -27.530  -3.517 -10.377
   17    HE2  PHE   3           HE2      PHE   3 -24.612  -6.670 -10.379
   18    HZ   PHE   3           HZ       PHE   3 -26.946  -5.903 -10.721
   19    H    TRP   4           H        TRP   4 -23.414  -2.712  -5.358
   20    HA   TRP   4           HA       TRP   4 -21.755  -3.206  -3.744
   21   1HB   TRP   4          1HB       TRP   4 -21.114  -4.472  -6.332
   22   2HB   TRP   4          2HB       TRP   4 -19.748  -4.366  -5.222
   23    HD1  TRP   4           HD1      TRP   4 -22.511  -6.561  -6.028
   24    HE1  TRP   4           HE1      TRP   4 -23.051  -8.165  -4.083
   25    HE3  TRP   4           HE3      TRP   4 -19.920  -4.285  -2.260
   26    HZ2  TRP   4           HZ2      TRP   4 -22.462  -8.445  -1.298
   27    HZ3  TRP   4           HZ3      TRP   4 -19.926  -5.241   0.025
   28    HH2  TRP   4           HH2      TRP   4 -21.193  -7.316   0.512
   29    H    ASN   5           H        ASN   5 -18.962  -3.200  -3.927
   30    HA   ASN   5           HA       ASN   5 -18.429  -0.288  -4.240
   31   1HB   ASN   5          1HB       ASN   5 -17.991  -1.798  -2.159
   32   2HB   ASN   5          2HB       ASN   5 -16.591  -2.369  -3.067
   33   1HD2  ASN   5          1HD2      ASN   5 -17.908   0.346  -1.281
   34   2HD2  ASN   5          2HD2      ASN   5 -16.534   1.336  -1.396
   35    HA   PRO   6           HA       PRO   6 -16.315  -1.452  -8.017
   36   1HB   PRO   6          1HB       PRO   6 -15.712   1.104  -8.785
   37   2HB   PRO   6          2HB       PRO   6 -17.318   0.381  -9.010
   38   1HG   PRO   6          1HG       PRO   6 -16.374   2.281  -6.927
   39   2HG   PRO   6          2HG       PRO   6 -17.934   2.200  -7.757
   40   1HD   PRO   6          1HD       PRO   6 -17.510   1.279  -5.216
   41   2HD   PRO   6          2HD       PRO   6 -18.775   0.656  -6.298
   42    H    ASN   7           H        ASN   7 -15.103   0.747  -5.531
   43    HA   ASN   7           HA       ASN   7 -12.332   0.697  -6.406
   44   1HB   ASN   7          1HB       ASN   7 -13.940   2.123  -4.645
   45   2HB   ASN   7          2HB       ASN   7 -12.873   1.218  -3.571
   46   1HD2  ASN   7          1HD2      ASN   7 -10.751   1.997  -3.336
   47   2HD2  ASN   7          2HD2      ASN   7 -10.068   3.217  -4.298
   48    H    ALA   8           H        ALA   8 -14.327  -1.318  -4.324
   49    HA   ALA   8           HA       ALA   8 -13.846  -3.418  -3.342
   50   1HB   ALA   8          1HB       ALA   8 -12.131  -3.046  -5.597
   51   2HB   ALA   8          2HB       ALA   8 -12.662  -4.568  -4.882
   52   3HB   ALA   8          3HB       ALA   8 -11.178  -3.798  -4.318
   53    H    PHE   9           H        PHE   9 -11.462  -4.414  -2.300
   54    HA   PHE   9           HA       PHE   9 -11.062  -2.674   0.012
   55   1HB   PHE   9          1HB       PHE   9 -10.398  -5.409  -0.911
   56   2HB   PHE   9          2HB       PHE   9  -9.248  -4.706   0.226
   57    HD1  PHE   9           HD1      PHE   9 -12.416  -6.328  -0.132
   58    HD2  PHE   9           HD2      PHE   9 -10.221  -3.611   2.368
   59    HE1  PHE   9           HE1      PHE   9 -13.984  -6.780   1.736
   60    HE2  PHE   9           HE2      PHE   9 -11.789  -4.063   4.235
   61    HZ   PHE   9           HZ       PHE   9 -13.671  -5.648   3.919
   62    H    GLU  10           H        GLU  10  -9.264  -1.388   0.430
   63    HA   GLU  10           HA       GLU  10  -7.662  -0.306  -1.594
   64   1HB   GLU  10          1HB       GLU  10  -7.985  -0.111   1.175
   65   2HB   GLU  10          2HB       GLU  10  -6.287  -0.544   0.974
   66   1HG   GLU  10          1HG       GLU  10  -5.794   1.385  -0.232
   67   2HG   GLU  10          2HG       GLU  10  -7.460   1.594  -0.773
   68    H    THR  11           H        THR  11  -5.550  -0.788  -2.373
   69    HA   THR  11           HA       THR  11  -4.784  -3.625  -2.259
   70    HB   THR  11           HB       THR  11  -3.137  -1.497  -3.564
   71    HG1  THR  11           HG1      THR  11  -4.658  -1.028  -5.008
   72   1HG2  THR  11          1HG2      THR  11  -3.549  -4.323  -3.757
   73   2HG2  THR  11          2HG2      THR  11  -2.389  -3.325  -4.634
   74   3HG2  THR  11          3HG2      THR  11  -4.003  -3.587  -5.295
   75    H    ASP  12           H        ASP  12  -1.986  -3.385  -2.445
   76    HA   ASP  12           HA       ASP  12  -1.115  -3.486   0.230
   77   1HB   ASP  12          1HB       ASP  12   1.142  -3.255  -0.826
   78   2HB   ASP  12          2HB       ASP  12   0.106  -4.392  -1.688
   79    H    SER  13           H        SER  13   1.033  -1.808   0.580
   80    HA   SER  13           HA       SER  13  -0.282   0.867   0.836
   81   1HB   SER  13          1HB       SER  13   1.963   0.836   2.445
   82   2HB   SER  13          2HB       SER  13   0.337   0.422   2.978
   83    HG   SER  13           HG       SER  13   0.787  -1.703   2.711
   84    H    ASP  14           H        ASP  14   3.167   0.207   1.073
   85    HA   ASP  14           HA       ASP  14   3.609   1.814  -1.422
   86   1HB   ASP  14          1HB       ASP  14   4.851   1.991   1.333
   87   2HB   ASP  14          2HB       ASP  14   5.585   2.747  -0.081
   88    H    LEU  15           H        LEU  15   3.699  -0.771  -1.920
   89    HA   LEU  15           HA       LEU  15   6.311  -1.975  -1.277
   90   1HB   LEU  15          1HB       LEU  15   3.804  -2.732  -2.767
   91   2HB   LEU  15          2HB       LEU  15   5.257  -3.716  -2.933
   92    HG   LEU  15           HG       LEU  15   3.893  -4.619  -1.129
   93   1HD1  LEU  15          1HD1      LEU  15   6.573  -3.840  -0.905
   94   2HD1  LEU  15          2HD1      LEU  15   5.743  -5.034   0.094
   95   3HD1  LEU  15          3HD1      LEU  15   5.842  -3.355   0.625
   96   1HD2  LEU  15          1HD2      LEU  15   2.872  -3.340   0.476
   97   2HD2  LEU  15          2HD2      LEU  15   3.055  -2.066  -0.730
   98   3HD2  LEU  15          3HD2      LEU  15   4.224  -2.214   0.582
   99    HA   PRO  16           HA       PRO  16   8.428  -0.803  -4.935
  100   1HB   PRO  16          1HB       PRO  16   9.610  -3.137  -5.750
  101   2HB   PRO  16          2HB       PRO  16  10.153  -2.224  -4.327
  102   1HG   PRO  16          1HG       PRO  16   8.423  -4.646  -4.473
  103   2HG   PRO  16          2HG       PRO  16   9.712  -4.249  -3.325
  104   1HD   PRO  16          1HD       PRO  16   7.079  -3.984  -2.733
  105   2HD   PRO  16          2HD       PRO  16   8.337  -2.944  -2.029
  106    H    ALA  17           H        ALA  17   8.899  -2.222  -7.308
  107    HA   ALA  17           HA       ALA  17   6.152  -2.332  -8.440
  108   1HB   ALA  17          1HB       ALA  17   7.162  -1.510 -10.321
  109   2HB   ALA  17          2HB       ALA  17   8.546  -2.592 -10.164
  110   3HB   ALA  17          3HB       ALA  17   8.471  -1.110  -9.211
  111    H    GLY  18           H        GLY  18   5.241  -4.328  -8.634
  112   1HA   GLY  18          1HA       GLY  18   5.275  -6.512  -9.752
  113   2HA   GLY  18          2HA       GLY  18   7.001  -6.610  -9.411
  114    H    TRP  19           H        TRP  19   5.456  -5.326  -6.727
  115    HA   TRP  19           HA       TRP  19   5.266  -8.046  -5.471
  116   1HB   TRP  19          1HB       TRP  19   6.462  -5.422  -4.655
  117   2HB   TRP  19          2HB       TRP  19   5.834  -6.485  -3.396
  118    HD1  TRP  19           HD1      TRP  19   8.732  -6.016  -5.697
  119    HE1  TRP  19           HE1      TRP  19  10.398  -7.966  -5.436
  120    HE3  TRP  19           HE3      TRP  19   5.916  -9.212  -2.880
  121    HZ2  TRP  19           HZ2      TRP  19  10.519 -10.540  -4.200
  122    HZ3  TRP  19           HZ3      TRP  19   6.829 -11.406  -2.177
  123    HH2  TRP  19           HH2      TRP  19   9.126 -12.073  -2.833
  124    H    MET  20           H        MET  20   3.407  -8.445  -4.256
  125    HA   MET  20           HA       MET  20   1.388  -6.231  -4.118
  126   1HB   MET  20          1HB       MET  20   0.893  -9.211  -4.312
  127   2HB   MET  20          2HB       MET  20  -0.267  -7.915  -4.585
  128   1HG   MET  20          1HG       MET  20   2.009  -7.512  -6.294
  129   2HG   MET  20          2HG       MET  20   1.413  -9.159  -6.500
  130   1HE   MET  20          1HE       MET  20  -0.063  -6.028  -5.290
  131   2HE   MET  20          2HE       MET  20  -1.415  -5.614  -6.342
  132   3HE   MET  20          3HE       MET  20   0.228  -5.208  -6.830
  133    H    ARG  21           H        ARG  21  -0.198  -6.535  -2.306
  134    HA   ARG  21           HA       ARG  21   1.077  -7.840   0.080
  135   1HB   ARG  21          1HB       ARG  21   0.971  -5.274  -0.113
  136   2HB   ARG  21          2HB       ARG  21  -0.776  -5.445   0.072
  137   1HG   ARG  21          1HG       ARG  21  -0.414  -6.655   2.208
  138   2HG   ARG  21          2HG       ARG  21   1.325  -6.419   2.031
  139   1HD   ARG  21          1HD       ARG  21   1.066  -3.998   2.146
  140   2HD   ARG  21          2HD       ARG  21  -0.702  -4.158   2.164
  141    HE   ARG  21           HE       ARG  21   0.949  -5.445   4.298
  142   1HH1  ARG  21          1HH1      ARG  21  -2.182  -4.837   3.528
  143   2HH1  ARG  21          2HH1      ARG  21  -2.582  -3.939   4.954
  144   1HH2  ARG  21          1HH2      ARG  21   0.706  -3.652   6.018
  145   2HH2  ARG  21          2HH2      ARG  21  -0.948  -3.269   6.364
  146    H    VAL  22           H        VAL  22  -0.123  -9.728   0.309
  147    HA   VAL  22           HA       VAL  22  -3.100  -9.527   0.029
  148    HB   VAL  22           HB       VAL  22  -1.375 -12.005   0.056
  149   1HG1  VAL  22          1HG1      VAL  22  -4.177 -11.298  -0.774
  150   2HG1  VAL  22          2HG1      VAL  22  -3.622 -12.634   0.235
  151   3HG1  VAL  22          3HG1      VAL  22  -3.360 -12.677  -1.509
  152   1HG2  VAL  22          1HG2      VAL  22  -1.520 -11.814  -2.479
  153   2HG2  VAL  22          2HG2      VAL  22  -0.455 -10.639  -1.704
  154   3HG2  VAL  22          3HG2      VAL  22  -2.062 -10.153  -2.244
  155    H    GLN  23           H        GLN  23  -4.365 -10.832   1.563
  156    HA   GLN  23           HA       GLN  23  -3.022 -11.139   4.229
  157   1HB   GLN  23          1HB       GLN  23  -5.292  -9.605   3.311
  158   2HB   GLN  23          2HB       GLN  23  -5.816 -10.774   4.525
  159   1HG   GLN  23          1HG       GLN  23  -4.543  -9.823   6.196
  160   2HG   GLN  23          2HG       GLN  23  -3.306  -9.255   5.073
  161   1HE2  GLN  23          1HE2      GLN  23  -6.791  -8.667   4.629
  162   2HE2  GLN  23          2HE2      GLN  23  -6.705  -6.986   4.847
  163    H    ASP  24           H        ASP  24  -2.633 -13.432   3.655
  164    HA   ASP  24           HA       ASP  24  -4.884 -15.178   3.022
  165   1HB   ASP  24          1HB       ASP  24  -2.034 -15.210   3.045
  166   2HB   ASP  24          2HB       ASP  24  -2.601 -16.575   4.004
  167    H    THR  25           H        THR  25  -4.815 -17.320   4.572
  168    HA   THR  25           HA       THR  25  -6.048 -16.535   7.049
  169    HB   THR  25           HB       THR  25  -5.910 -19.027   7.450
  170    HG1  THR  25           HG1      THR  25  -3.846 -18.916   6.025
  171   1HG2  THR  25          1HG2      THR  25  -7.722 -17.958   6.099
  172   2HG2  THR  25          2HG2      THR  25  -7.365 -19.609   5.592
  173   3HG2  THR  25          3HG2      THR  25  -6.760 -18.248   4.649
  174    H    SER  26           H        SER  26  -2.748 -17.401   6.168
  175    HA   SER  26           HA       SER  26  -1.824 -17.803   8.902
  176   1HB   SER  26          1HB       SER  26  -0.840 -17.907   6.159
  177   2HB   SER  26          2HB       SER  26   0.343 -17.184   7.243
  178    HG   SER  26           HG       SER  26  -0.096 -19.704   6.942
  179    H    GLY  27           H        GLY  27  -2.135 -15.064   6.723
  180   1HA   GLY  27          1HA       GLY  27  -2.203 -12.983   8.437
  181   2HA   GLY  27          2HA       GLY  27  -0.475 -13.339   8.446
  182    H    THR  28           H        THR  28  -0.419 -11.068   7.521
  183    HA   THR  28           HA       THR  28  -1.246 -10.847   4.683
  184    HB   THR  28           HB       THR  28   0.186  -8.885   6.500
  185    HG1  THR  28           HG1      THR  28  -1.723  -9.455   7.476
  186   1HG2  THR  28          1HG2      THR  28   0.298  -7.929   4.400
  187   2HG2  THR  28          2HG2      THR  28  -1.295  -7.361   4.899
  188   3HG2  THR  28          3HG2      THR  28  -1.151  -8.756   3.831
  189    H    TYR  29           H        TYR  29   0.188 -11.694   3.194
  190    HA   TYR  29           HA       TYR  29   3.118 -11.414   3.785
  191   1HB   TYR  29          1HB       TYR  29   3.384 -13.422   2.440
  192   2HB   TYR  29          2HB       TYR  29   2.125 -13.717   3.634
  193    HD1  TYR  29           HD1      TYR  29   2.852 -13.169   0.073
  194    HD2  TYR  29           HD2      TYR  29  -0.237 -13.839   2.981
  195    HE1  TYR  29           HE1      TYR  29   1.255 -13.700  -1.747
  196    HE2  TYR  29           HE2      TYR  29  -1.835 -14.371   1.160
  197    HH   TYR  29           HH       TYR  29  -2.154 -14.073  -1.149
  198    H    TYR  30           H        TYR  30   3.924 -12.030   1.108
  199    HA   TYR  30           HA       TYR  30   2.805  -9.743  -0.467
  200   1HB   TYR  30          1HB       TYR  30   5.663 -10.379   0.295
  201   2HB   TYR  30          2HB       TYR  30   5.273  -9.303  -1.046
  202    HD1  TYR  30           HD1      TYR  30   5.151  -9.753   2.608
  203    HD2  TYR  30           HD2      TYR  30   4.204  -7.138  -0.664
  204    HE1  TYR  30           HE1      TYR  30   4.775  -7.891   4.204
  205    HE2  TYR  30           HE2      TYR  30   3.828  -5.277   0.932
  206    HH   TYR  30           HH       TYR  30   3.651  -5.798   4.347
  207    H    TRP  31           H        TRP  31   2.376 -10.345  -2.551
  208    HA   TRP  31           HA       TRP  31   3.338 -13.000  -3.495
  209   1HB   TRP  31          1HB       TRP  31   0.985 -12.696  -3.635
  210   2HB   TRP  31          2HB       TRP  31   1.154 -11.055  -4.246
  211    HD1  TRP  31           HD1      TRP  31   3.288 -13.845  -5.693
  212    HE1  TRP  31           HE1      TRP  31   2.575 -14.267  -8.135
  213    HE3  TRP  31           HE3      TRP  31  -0.883 -10.907  -5.915
  214    HZ2  TRP  31           HZ2      TRP  31   0.506 -13.464  -9.943
  215    HZ3  TRP  31           HZ3      TRP  31  -2.204 -10.753  -8.005
  216    HH2  TRP  31           HH2      TRP  31  -1.516 -12.027 -10.018
  217    H    HIS  32           H        HIS  32   4.903 -13.121  -5.061
  218    HA   HIS  32           HA       HIS  32   5.954 -10.613  -6.226
  219   1HB   HIS  32          1HB       HIS  32   7.176 -12.701  -5.145
  220   2HB   HIS  32          2HB       HIS  32   7.037 -13.365  -6.772
  221    HD1  HIS  32           HD1      HIS  32   9.830 -12.973  -6.281
  222    HD2  HIS  32           HD2      HIS  32   7.479  -9.672  -7.259
  223    HE1  HIS  32           HE1      HIS  32  11.417 -11.183  -7.115
  224    H    ILE  33           H        ILE  33   4.679  -9.980  -7.918
  225    HA   ILE  33           HA       ILE  33   3.177 -11.625  -9.674
  226    HB   ILE  33           HB       ILE  33   4.384  -8.875 -10.090
  227   1HG1  ILE  33          1HG1      ILE  33   1.857  -9.827  -8.710
  228   2HG1  ILE  33          2HG1      ILE  33   3.172  -8.880  -8.012
  229   1HG2  ILE  33          1HG2      ILE  33   3.210 -10.276 -12.014
  230   2HG2  ILE  33          2HG2      ILE  33   2.861  -8.560 -11.810
  231   3HG2  ILE  33          3HG2      ILE  33   1.741  -9.768 -11.180
  232   1HD1  ILE  33          1HD1      ILE  33   0.910  -8.004  -9.698
  233   2HD1  ILE  33          2HD1      ILE  33   2.472  -7.310 -10.134
  234   3HD1  ILE  33          3HD1      ILE  33   1.839  -7.101  -8.502
  235    HA   PRO  34           HA       PRO  34   6.795 -11.135 -12.789
  236   1HB   PRO  34          1HB       PRO  34   9.295 -10.713 -11.761
  237   2HB   PRO  34          2HB       PRO  34   8.203  -9.400 -12.244
  238   1HG   PRO  34          1HG       PRO  34   8.816 -10.450  -9.535
  239   2HG   PRO  34          2HG       PRO  34   8.512  -8.788 -10.063
  240   1HD   PRO  34          1HD       PRO  34   6.673 -10.352  -8.784
  241   2HD   PRO  34          2HD       PRO  34   6.248  -9.005  -9.861
  242    H    THR  35           H        THR  35   8.307 -12.363  -9.758
  243    HA   THR  35           HA       THR  35   9.210 -14.783 -11.182
  244    HB   THR  35           HB       THR  35  10.439 -15.167  -9.167
  245    HG1  THR  35           HG1      THR  35   9.630 -14.687  -7.297
  246   1HG2  THR  35          1HG2      THR  35  11.540 -13.040  -8.785
  247   2HG2  THR  35          2HG2      THR  35  10.139 -12.163  -9.400
  248   3HG2  THR  35          3HG2      THR  35  11.110 -13.148 -10.491
  249    H    GLY  36           H        GLY  36   6.964 -13.992  -8.518
  250   1HA   GLY  36          1HA       GLY  36   4.800 -15.176  -8.395
  251   2HA   GLY  36          2HA       GLY  36   5.612 -16.607  -9.033
  252    H    THR  37           H        THR  37   7.854 -15.439  -7.028
  253    HA   THR  37           HA       THR  37   7.404 -17.416  -4.976
  254    HB   THR  37           HB       THR  37   9.176 -14.974  -4.824
  255    HG1  THR  37           HG1      THR  37  10.675 -16.443  -5.954
  256   1HG2  THR  37          1HG2      THR  37   9.648 -17.831  -3.960
  257   2HG2  THR  37          2HG2      THR  37   9.001 -16.583  -2.895
  258   3HG2  THR  37          3HG2      THR  37  10.625 -16.417  -3.563
  259    H    THR  38           H        THR  38   7.114 -16.903  -2.656
  260    HA   THR  38           HA       THR  38   5.466 -14.429  -2.229
  261    HB   THR  38           HB       THR  38   4.728 -16.293  -0.305
  262    HG1  THR  38           HG1      THR  38   5.530 -18.076  -1.115
  263   1HG2  THR  38          1HG2      THR  38   3.149 -14.927  -1.502
  264   2HG2  THR  38          2HG2      THR  38   2.722 -16.610  -1.812
  265   3HG2  THR  38          3HG2      THR  38   3.581 -15.678  -3.038
  266    H    GLN  39           H        GLN  39   5.506 -13.698   0.111
  267    HA   GLN  39           HA       GLN  39   7.926 -14.532   1.629
  268   1HB   GLN  39          1HB       GLN  39   7.332 -11.678   0.782
  269   2HB   GLN  39          2HB       GLN  39   8.743 -12.231   1.684
  270   1HG   GLN  39          1HG       GLN  39   9.190 -13.788  -0.323
  271   2HG   GLN  39          2HG       GLN  39   8.032 -12.784  -1.196
  272   1HE2  GLN  39          1HE2      GLN  39  10.916 -12.947  -1.783
  273   2HE2  GLN  39          2HE2      GLN  39  11.552 -11.392  -1.537
  274    H    TRP  40           H        TRP  40   7.572 -11.919   3.154
  275    HA   TRP  40           HA       TRP  40   4.923 -12.350   4.446
  276   1HB   TRP  40          1HB       TRP  40   6.678 -13.830   5.475
  277   2HB   TRP  40          2HB       TRP  40   7.582 -12.382   5.905
  278    HD1  TRP  40           HD1      TRP  40   6.968 -11.237   8.094
  279    HE1  TRP  40           HE1      TRP  40   5.055 -11.460   9.808
  280    HE3  TRP  40           HE3      TRP  40   3.930 -14.500   5.604
  281    HZ2  TRP  40           HZ2      TRP  40   2.565 -12.840  10.085
  282    HZ3  TRP  40           HZ3      TRP  40   1.796 -15.251   6.614
  283    HH2  TRP  40           HH2      TRP  40   1.110 -14.426   8.849
  284    H    GLU  41           H        GLU  41   8.009 -10.579   4.812
  285    HA   GLU  41           HA       GLU  41   6.558  -8.160   5.714
  286   1HB   GLU  41          1HB       GLU  41   9.519  -8.599   5.239
  287   2HB   GLU  41          2HB       GLU  41   8.769  -7.397   6.290
  288   1HG   GLU  41          1HG       GLU  41   8.028  -9.065   7.832
  289   2HG   GLU  41          2HG       GLU  41   8.400 -10.370   6.705
  290    HA   PRO  42           HA       PRO  42   6.718  -6.081   1.850
  291   1HB   PRO  42          1HB       PRO  42   7.248  -3.509   2.619
  292   2HB   PRO  42          2HB       PRO  42   5.677  -4.290   2.882
  293   1HG   PRO  42          1HG       PRO  42   7.907  -3.831   4.795
  294   2HG   PRO  42          2HG       PRO  42   6.158  -3.753   5.059
  295   1HD   PRO  42          1HD       PRO  42   7.721  -5.870   5.811
  296   2HD   PRO  42          2HD       PRO  42   5.987  -5.999   5.443
  297    HA   PRO  43           HA       PRO  43  11.159  -6.194   1.165
  298   1HB   PRO  43          1HB       PRO  43  10.993  -6.414  -1.558
  299   2HB   PRO  43          2HB       PRO  43  10.763  -7.791  -0.462
  300   1HG   PRO  43          1HG       PRO  43   8.735  -6.140  -1.877
  301   2HG   PRO  43          2HG       PRO  43   8.747  -7.880  -1.550
  302   1HD   PRO  43          1HD       PRO  43   7.277  -6.072  -0.119
  303   2HD   PRO  43          2HD       PRO  43   7.845  -7.625   0.533
  304    H    GLY  44           H        GLY  44  12.439  -4.383   0.958
  305   1HA   GLY  44          1HA       GLY  44  13.196  -2.409  -0.236
  306   2HA   GLY  44          2HA       GLY  44  11.568  -2.220  -0.889
  307    H    ARG  45           H        ARG  45  13.615  -0.739   1.130
  308    HA   ARG  45           HA       ARG  45  12.384  -0.279   3.595
  309   1HB   ARG  45          1HB       ARG  45  14.060   1.258   1.668
  310   2HB   ARG  45          2HB       ARG  45  13.314   2.179   2.973
  311   1HG   ARG  45          1HG       ARG  45  14.224   0.378   4.557
  312   2HG   ARG  45          2HG       ARG  45  15.211  -0.161   3.199
  313   1HD   ARG  45          1HD       ARG  45  16.578   1.687   3.287
  314   2HD   ARG  45          2HD       ARG  45  15.257   2.763   3.786
  315    HE   ARG  45           HE       ARG  45  17.021   1.433   5.596
  316   1HH1  ARG  45          1HH1      ARG  45  14.269   3.277   5.489
  317   2HH1  ARG  45          2HH1      ARG  45  13.568   2.669   6.951
  318   1HH2  ARG  45          1HH2      ARG  45  15.867   0.095   7.296
  319   2HH2  ARG  45          2HH2      ARG  45  14.473   0.867   7.974
  320    H    ALA  46           H        ALA  46  10.170   0.003   3.784
  321    HA   ALA  46           HA       ALA  46   8.346   1.073   1.963
  322   1HB   ALA  46          1HB       ALA  46   8.556   0.969   4.961
  323   2HB   ALA  46          2HB       ALA  46   7.478   0.070   3.895
  324   3HB   ALA  46          3HB       ALA  46   7.176   1.778   4.218
  325    H    SER  47           H        SER  47   8.134   3.092   1.079
  326    HA   SER  47           HA       SER  47   9.455   5.392   2.478
  327   1HB   SER  47          1HB       SER  47   9.821   4.370  -0.040
  328   2HB   SER  47          2HB       SER  47   8.627   5.627  -0.351
  329    HG   SER  47           HG       SER  47  10.884   6.124   1.265
  330    HA   PRO  48           HA       PRO  48   4.878   6.123   2.610
  331   1HB   PRO  48          1HB       PRO  48   4.803   6.866   5.242
  332   2HB   PRO  48          2HB       PRO  48   4.670   5.178   4.711
  333   1HG   PRO  48          1HG       PRO  48   7.010   6.630   5.827
  334   2HG   PRO  48          2HG       PRO  48   6.492   4.957   6.083
  335   1HD   PRO  48          1HD       PRO  48   8.528   5.683   4.405
  336   2HD   PRO  48          2HD       PRO  48   7.563   4.203   4.213
  337    H    SER  49           H        SER  49   3.848   8.282   3.586
  338    HA   SER  49           HA       SER  49   5.606  10.579   3.885
  339   1HB   SER  49          1HB       SER  49   4.918  11.579   1.663
  340   2HB   SER  49          2HB       SER  49   5.967  10.171   1.526
  341    HG   SER  49           HG       SER  49   4.252   8.946   0.943
  342    H    GLN  50           H        GLN  50   4.412  11.986   5.106
  343    HA   GLN  50           HA       GLN  50   1.789  12.905   4.476
  344   1HB   GLN  50          1HB       GLN  50   1.903  10.273   5.499
  345   2HB   GLN  50          2HB       GLN  50   1.304  11.276   6.820
  346   1HG   GLN  50          1HG       GLN  50  -0.363  12.269   5.216
  347   2HG   GLN  50          2HG       GLN  50   0.159  11.079   4.022
  348   1HE2  GLN  50          1HE2      GLN  50  -0.451   8.844   4.360
  349   2HE2  GLN  50          2HE2      GLN  50  -1.566   8.385   5.555
  Start of MODEL   21
    1    H    ASP   1           H        ASP   1 -13.777   6.333 -17.770
    2    HA   ASP   1           HA       ASP   1 -14.059   4.430 -19.485
    3   1HB   ASP   1          1HB       ASP   1 -11.512   5.487 -20.049
    4   2HB   ASP   1          2HB       ASP   1 -11.205   3.934 -19.273
    5    H    SER   2           H        SER   2 -14.997   4.080 -17.261
    6    HA   SER   2           HA       SER   2 -13.183   2.339 -15.642
    7   1HB   SER   2          1HB       SER   2 -14.253   3.470 -13.621
    8   2HB   SER   2          2HB       SER   2 -13.158   4.482 -14.557
    9    HG   SER   2           HG       SER   2 -15.400   5.271 -13.950
   10    H    PHE   3           H        PHE   3 -14.609   0.769 -16.970
   11    HA   PHE   3           HA       PHE   3 -17.164   0.279 -15.476
   12   1HB   PHE   3          1HB       PHE   3 -17.565   1.238 -17.712
   13   2HB   PHE   3          2HB       PHE   3 -16.576  -0.030 -18.439
   14    HD1  PHE   3           HD1      PHE   3 -17.388  -2.306 -18.647
   15    HD2  PHE   3           HD2      PHE   3 -19.756   0.711 -16.712
   16    HE1  PHE   3           HE1      PHE   3 -19.363  -3.803 -18.730
   17    HE2  PHE   3           HE2      PHE   3 -21.731  -0.786 -16.796
   18    HZ   PHE   3           HZ       PHE   3 -21.535  -3.044 -17.804
   19    H    TRP   4           H        TRP   4 -17.330  -1.807 -14.706
   20    HA   TRP   4           HA       TRP   4 -16.795  -4.080 -14.337
   21   1HB   TRP   4          1HB       TRP   4 -16.951  -3.580 -17.079
   22   2HB   TRP   4          2HB       TRP   4 -15.428  -4.450 -16.894
   23    HD1  TRP   4           HD1      TRP   4 -19.025  -5.035 -17.224
   24    HE1  TRP   4           HE1      TRP   4 -19.633  -7.456 -16.581
   25    HE3  TRP   4           HE3      TRP   4 -14.686  -6.457 -14.937
   26    HZ2  TRP   4           HZ2      TRP   4 -18.437  -9.701 -15.272
   27    HZ3  TRP   4           HZ3      TRP   4 -14.447  -8.740 -14.003
   28    HH2  TRP   4           HH2      TRP   4 -16.315 -10.362 -14.167
   29    H    ASN   5           H        ASN   5 -15.053  -2.686 -12.972
   30    HA   ASN   5           HA       ASN   5 -12.357  -2.441 -13.671
   31   1HB   ASN   5          1HB       ASN   5 -14.005  -2.663 -11.281
   32   2HB   ASN   5          2HB       ASN   5 -12.413  -3.378 -11.024
   33   1HD2  ASN   5          1HD2      ASN   5 -11.421  -1.696  -9.808
   34   2HD2  ASN   5          2HD2      ASN   5 -11.205  -0.120 -10.398
   35    HA   PRO   6           HA       PRO   6 -10.961  -6.567 -14.282
   36   1HB   PRO   6          1HB       PRO   6  -8.293  -6.206 -13.791
   37   2HB   PRO   6          2HB       PRO   6  -9.090  -5.638 -15.271
   38   1HG   PRO   6          1HG       PRO   6  -8.302  -4.115 -12.843
   39   2HG   PRO   6          2HG       PRO   6  -8.258  -3.630 -14.546
   40   1HD   PRO   6          1HD       PRO   6 -10.197  -2.840 -12.782
   41   2HD   PRO   6          2HD       PRO   6 -10.435  -2.945 -14.540
   42    H    ASN   7           H        ASN   7  -8.494  -5.745 -11.931
   43    HA   ASN   7           HA       ASN   7  -9.912  -7.236  -9.780
   44   1HB   ASN   7          1HB       ASN   7  -8.618  -8.790 -11.317
   45   2HB   ASN   7          2HB       ASN   7  -7.149  -7.971 -10.785
   46   1HD2  ASN   7          1HD2      ASN   7  -6.191  -9.546  -9.436
   47   2HD2  ASN   7          2HD2      ASN   7  -6.966 -10.246  -8.098
   48    H    ALA   8           H        ALA   8  -9.697  -4.754  -9.197
   49    HA   ALA   8           HA       ALA   8  -7.024  -3.942  -8.258
   50   1HB   ALA   8          1HB       ALA   8  -9.772  -2.684  -7.950
   51   2HB   ALA   8          2HB       ALA   8  -8.682  -2.400  -9.307
   52   3HB   ALA   8          3HB       ALA   8  -8.226  -1.877  -7.686
   53    H    PHE   9           H        PHE   9  -6.683  -3.353  -5.956
   54    HA   PHE   9           HA       PHE   9  -8.572  -4.388  -3.951
   55   1HB   PHE   9          1HB       PHE   9  -6.768  -6.130  -5.126
   56   2HB   PHE   9          2HB       PHE   9  -5.929  -5.637  -3.654
   57    HD1  PHE   9           HD1      PHE   9  -9.313  -6.747  -4.833
   58    HD2  PHE   9           HD2      PHE   9  -6.444  -6.701  -1.637
   59    HE1  PHE   9           HE1      PHE   9 -10.777  -8.238  -3.497
   60    HE2  PHE   9           HE2      PHE   9  -7.908  -8.192  -0.301
   61    HZ   PHE   9           HZ       PHE   9 -10.074  -8.960  -1.230
   62    H    GLU  10           H        GLU  10  -8.383  -2.162  -3.205
   63    HA   GLU  10           HA       GLU  10  -7.364  -0.355  -2.055
   64   1HB   GLU  10          1HB       GLU  10  -7.695  -2.458  -0.539
   65   2HB   GLU  10          2HB       GLU  10  -5.940  -2.580  -0.612
   66   1HG   GLU  10          1HG       GLU  10  -6.579   0.147  -0.093
   67   2HG   GLU  10          2HG       GLU  10  -7.532  -0.839   1.016
   68    H    THR  11           H        THR  11  -4.881  -0.041  -0.890
   69    HA   THR  11           HA       THR  11  -3.064  -0.138  -3.259
   70    HB   THR  11           HB       THR  11  -2.557   1.439  -0.759
   71    HG1  THR  11           HG1      THR  11  -4.484   2.245  -0.960
   72   1HG2  THR  11          1HG2      THR  11  -1.056   2.404  -2.121
   73   2HG2  THR  11          2HG2      THR  11  -2.346   2.881  -3.226
   74   3HG2  THR  11          3HG2      THR  11  -1.552   1.317  -3.419
   75    H    ASP  12           H        ASP  12  -0.638   0.195  -1.898
   76    HA   ASP  12           HA       ASP  12  -0.401  -2.382  -0.376
   77   1HB   ASP  12          1HB       ASP  12   0.664  -1.633  -2.833
   78   2HB   ASP  12          2HB       ASP  12   2.000  -1.365  -1.713
   79    H    SER  13           H        SER  13   1.862  -2.301   0.861
   80    HA   SER  13           HA       SER  13   1.766   0.106   2.582
   81   1HB   SER  13          1HB       SER  13   2.303  -2.680   2.837
   82   2HB   SER  13          2HB       SER  13   3.744  -1.806   3.340
   83    HG   SER  13           HG       SER  13   1.711  -2.210   4.807
   84    H    ASP  14           H        ASP  14   2.754   0.868   0.136
   85    HA   ASP  14           HA       ASP  14   4.601   2.051  -0.756
   86   1HB   ASP  14          1HB       ASP  14   4.780   2.263   1.932
   87   2HB   ASP  14          2HB       ASP  14   6.272   1.377   1.614
   88    H    LEU  15           H        LEU  15   4.309  -0.542  -1.652
   89    HA   LEU  15           HA       LEU  15   6.918  -1.926  -1.343
   90   1HB   LEU  15          1HB       LEU  15   4.241  -2.549  -2.612
   91   2HB   LEU  15          2HB       LEU  15   5.636  -3.606  -2.810
   92    HG   LEU  15           HG       LEU  15   4.327  -4.407  -0.928
   93   1HD1  LEU  15          1HD1      LEU  15   6.951  -4.127  -0.856
   94   2HD1  LEU  15          2HD1      LEU  15   6.079  -4.629   0.592
   95   3HD1  LEU  15          3HD1      LEU  15   6.587  -2.950   0.406
   96   1HD2  LEU  15          1HD2      LEU  15   3.651  -3.040   0.883
   97   2HD2  LEU  15          2HD2      LEU  15   3.343  -2.044  -0.538
   98   3HD2  LEU  15          3HD2      LEU  15   4.777  -1.756   0.446
   99    HA   PRO  16           HA       PRO  16   8.521  -0.603  -5.208
  100   1HB   PRO  16          1HB       PRO  16   9.637  -2.899  -6.199
  101   2HB   PRO  16          2HB       PRO  16  10.333  -1.995  -4.838
  102   1HG   PRO  16          1HG       PRO  16   8.669  -4.461  -4.817
  103   2HG   PRO  16          2HG       PRO  16  10.059  -4.031  -3.811
  104   1HD   PRO  16          1HD       PRO  16   7.478  -3.860  -2.957
  105   2HD   PRO  16          2HD       PRO  16   8.785  -2.828  -2.337
  106    H    ALA  17           H        ALA  17   8.731  -2.014  -7.635
  107    HA   ALA  17           HA       ALA  17   5.864  -2.166  -8.428
  108   1HB   ALA  17          1HB       ALA  17   7.956  -0.801  -9.450
  109   2HB   ALA  17          2HB       ALA  17   6.612  -1.353 -10.451
  110   3HB   ALA  17          3HB       ALA  17   8.107  -2.287 -10.387
  111    H    GLY  18           H        GLY  18   5.001  -4.190  -8.536
  112   1HA   GLY  18          1HA       GLY  18   5.011  -6.333  -9.784
  113   2HA   GLY  18          2HA       GLY  18   6.750  -6.415  -9.504
  114    H    TRP  19           H        TRP  19   5.222  -5.200  -6.764
  115    HA   TRP  19           HA       TRP  19   5.144  -7.942  -5.540
  116   1HB   TRP  19          1HB       TRP  19   6.306  -5.305  -4.727
  117   2HB   TRP  19          2HB       TRP  19   5.704  -6.368  -3.456
  118    HD1  TRP  19           HD1      TRP  19   8.516  -5.951  -5.914
  119    HE1  TRP  19           HE1      TRP  19  10.227  -7.855  -5.611
  120    HE3  TRP  19           HE3      TRP  19   5.898  -8.997  -2.757
  121    HZ2  TRP  19           HZ2      TRP  19  10.455 -10.343  -4.218
  122    HZ3  TRP  19           HZ3      TRP  19   6.886 -11.128  -1.961
  123    HH2  TRP  19           HH2      TRP  19   9.158 -11.802  -2.687
  124    H    MET  20           H        MET  20   3.219  -8.451  -4.523
  125    HA   MET  20           HA       MET  20   1.196  -6.254  -4.243
  126   1HB   MET  20          1HB       MET  20   0.802  -9.244  -4.559
  127   2HB   MET  20          2HB       MET  20  -0.439  -7.999  -4.682
  128   1HG   MET  20          1HG       MET  20   1.914  -8.410  -6.545
  129   2HG   MET  20          2HG       MET  20   0.207  -8.634  -6.927
  130   1HE   MET  20          1HE       MET  20  -1.588  -6.258  -7.136
  131   2HE   MET  20          2HE       MET  20  -0.809  -7.429  -8.196
  132   3HE   MET  20          3HE       MET  20  -0.711  -5.710  -8.571
  133    H    ARG  21           H        ARG  21  -0.420  -6.682  -2.466
  134    HA   ARG  21           HA       ARG  21   0.879  -7.984  -0.094
  135   1HB   ARG  21          1HB       ARG  21   0.652  -5.403  -0.272
  136   2HB   ARG  21          2HB       ARG  21  -1.072  -5.678  -0.019
  137   1HG   ARG  21          1HG       ARG  21  -0.387  -7.062   2.032
  138   2HG   ARG  21          2HG       ARG  21   1.213  -6.344   1.842
  139   1HD   ARG  21          1HD       ARG  21   0.192  -4.074   1.977
  140   2HD   ARG  21          2HD       ARG  21  -1.389  -4.830   2.258
  141    HE   ARG  21           HE       ARG  21   0.746  -5.767   4.046
  142   1HH1  ARG  21          1HH1      ARG  21  -2.414  -4.743   3.835
  143   2HH1  ARG  21          2HH1      ARG  21  -2.436  -3.886   5.340
  144   1HH2  ARG  21          1HH2      ARG  21   0.984  -4.150   5.843
  145   2HH2  ARG  21          2HH2      ARG  21  -0.511  -3.551   6.478
  146    H    VAL  22           H        VAL  22  -0.262  -9.899   0.159
  147    HA   VAL  22           HA       VAL  22  -3.230  -9.830  -0.238
  148    HB   VAL  22           HB       VAL  22  -1.370 -12.205  -0.025
  149   1HG1  VAL  22          1HG1      VAL  22  -3.276 -13.125  -1.539
  150   2HG1  VAL  22          2HG1      VAL  22  -4.200 -11.743  -0.951
  151   3HG1  VAL  22          3HG1      VAL  22  -3.593 -12.946   0.186
  152   1HG2  VAL  22          1HG2      VAL  22  -2.222 -11.615  -2.719
  153   2HG2  VAL  22          2HG2      VAL  22  -0.580 -11.773  -2.095
  154   3HG2  VAL  22          3HG2      VAL  22  -1.396 -10.211  -2.043
  155    H    GLN  23           H        GLN  23  -4.480 -11.220   1.292
  156    HA   GLN  23           HA       GLN  23  -3.282 -11.217   4.044
  157   1HB   GLN  23          1HB       GLN  23  -5.827 -10.245   2.870
  158   2HB   GLN  23          2HB       GLN  23  -5.976 -11.068   4.422
  159   1HG   GLN  23          1HG       GLN  23  -5.000  -9.361   5.542
  160   2HG   GLN  23          2HG       GLN  23  -3.724  -9.193   4.334
  161   1HE2  GLN  23          1HE2      GLN  23  -7.314  -8.733   4.279
  162   2HE2  GLN  23          2HE2      GLN  23  -7.247  -7.199   3.556
  163    H    ASP  24           H        ASP  24  -2.622 -13.488   3.657
  164    HA   ASP  24           HA       ASP  24  -4.675 -15.491   3.054
  165   1HB   ASP  24          1HB       ASP  24  -1.841 -15.228   3.086
  166   2HB   ASP  24          2HB       ASP  24  -2.265 -16.579   4.133
  167    H    THR  25           H        THR  25  -4.576 -17.501   4.676
  168    HA   THR  25           HA       THR  25  -5.839 -16.722   7.116
  169    HB   THR  25           HB       THR  25  -5.649 -19.125   7.614
  170    HG1  THR  25           HG1      THR  25  -3.452 -19.301   6.935
  171   1HG2  THR  25          1HG2      THR  25  -7.360 -18.915   6.087
  172   2HG2  THR  25          2HG2      THR  25  -6.263 -19.918   5.138
  173   3HG2  THR  25          3HG2      THR  25  -6.322 -18.176   4.867
  174    H    SER  26           H        SER  26  -2.467 -17.497   6.341
  175    HA   SER  26           HA       SER  26  -1.527 -17.602   9.072
  176   1HB   SER  26          1HB       SER  26  -0.493 -17.645   6.321
  177   2HB   SER  26          2HB       SER  26   0.611 -16.889   7.467
  178    HG   SER  26           HG       SER  26   1.083 -18.876   7.966
  179    H    GLY  27           H        GLY  27  -2.156 -15.004   6.805
  180   1HA   GLY  27          1HA       GLY  27  -2.428 -12.862   8.386
  181   2HA   GLY  27          2HA       GLY  27  -0.675 -13.052   8.466
  182    H    THR  28           H        THR  28  -0.787 -10.834   7.420
  183    HA   THR  28           HA       THR  28  -1.527 -10.853   4.549
  184    HB   THR  28           HB       THR  28  -0.373  -8.655   6.292
  185    HG1  THR  28           HG1      THR  28  -2.937  -9.721   6.022
  186   1HG2  THR  28          1HG2      THR  28  -2.259  -7.947   4.182
  187   2HG2  THR  28          2HG2      THR  28  -0.833  -8.772   3.550
  188   3HG2  THR  28          3HG2      THR  28  -0.650  -7.303   4.509
  189    H    TYR  29           H        TYR  29   0.037 -11.640   3.170
  190    HA   TYR  29           HA       TYR  29   2.903 -11.055   3.841
  191   1HB   TYR  29          1HB       TYR  29   3.391 -13.101   2.615
  192   2HB   TYR  29          2HB       TYR  29   2.121 -13.443   3.787
  193    HD1  TYR  29           HD1      TYR  29  -0.218 -13.744   3.066
  194    HD2  TYR  29           HD2      TYR  29   2.939 -13.079   0.231
  195    HE1  TYR  29           HE1      TYR  29  -1.705 -14.504   1.231
  196    HE2  TYR  29           HE2      TYR  29   1.453 -13.838  -1.604
  197    HH   TYR  29           HH       TYR  29  -0.661 -15.429  -1.716
  198    H    TYR  30           H        TYR  30   3.839 -11.763   1.216
  199    HA   TYR  30           HA       TYR  30   2.637  -9.592  -0.464
  200   1HB   TYR  30          1HB       TYR  30   5.539 -10.233   0.136
  201   2HB   TYR  30          2HB       TYR  30   5.028  -9.085  -1.102
  202    HD1  TYR  30           HD1      TYR  30   4.559  -6.852  -0.528
  203    HD2  TYR  30           HD2      TYR  30   4.648  -9.856   2.541
  204    HE1  TYR  30           HE1      TYR  30   4.320  -5.092   1.202
  205    HE2  TYR  30           HE2      TYR  30   4.407  -8.096   4.271
  206    HH   TYR  30           HH       TYR  30   3.309  -5.520   4.130
  207    H    TRP  31           H        TRP  31   2.291 -10.199  -2.585
  208    HA   TRP  31           HA       TRP  31   3.233 -12.915  -3.398
  209   1HB   TRP  31          1HB       TRP  31   0.867 -12.696  -3.457
  210   2HB   TRP  31          2HB       TRP  31   0.955 -11.093  -4.183
  211    HD1  TRP  31           HD1      TRP  31   3.199 -13.824  -5.533
  212    HE1  TRP  31           HE1      TRP  31   2.422 -14.470  -7.906
  213    HE3  TRP  31           HE3      TRP  31  -1.199 -11.237  -5.758
  214    HZ2  TRP  31           HZ2      TRP  31   0.228 -13.955  -9.666
  215    HZ3  TRP  31           HZ3      TRP  31  -2.610 -11.332  -7.793
  216    HH2  TRP  31           HH2      TRP  31  -1.904 -12.687  -9.745
  217    H    HIS  32           H        HIS  32   5.035 -12.845  -4.656
  218    HA   HIS  32           HA       HIS  32   5.859 -10.460  -6.109
  219   1HB   HIS  32          1HB       HIS  32   7.112 -12.543  -4.962
  220   2HB   HIS  32          2HB       HIS  32   7.043 -13.156  -6.614
  221    HD1  HIS  32           HD1      HIS  32   9.806 -12.624  -5.870
  222    HD2  HIS  32           HD2      HIS  32   7.358  -9.499  -7.141
  223    HE1  HIS  32           HE1      HIS  32  11.352 -10.775  -6.648
  224    H    ILE  33           H        ILE  33   4.754  -9.924  -7.931
  225    HA   ILE  33           HA       ILE  33   3.244 -11.730  -9.570
  226    HB   ILE  33           HB       ILE  33   4.356  -8.962 -10.129
  227   1HG1  ILE  33          1HG1      ILE  33   1.865  -9.927  -8.693
  228   2HG1  ILE  33          2HG1      ILE  33   3.145  -8.899  -8.050
  229   1HG2  ILE  33          1HG2      ILE  33   2.881 -10.749 -11.753
  230   2HG2  ILE  33          2HG2      ILE  33   3.184  -9.038 -12.052
  231   3HG2  ILE  33          3HG2      ILE  33   1.730  -9.539 -11.189
  232   1HD1  ILE  33          1HD1      ILE  33   2.124  -7.701 -10.450
  233   2HD1  ILE  33          2HD1      ILE  33   2.085  -7.066  -8.806
  234   3HD1  ILE  33          3HD1      ILE  33   0.770  -8.087  -9.389
  235    HA   PRO  34           HA       PRO  34   6.924 -11.290 -12.624
  236   1HB   PRO  34          1HB       PRO  34   9.377 -10.705 -11.567
  237   2HB   PRO  34          2HB       PRO  34   8.246  -9.469 -12.150
  238   1HG   PRO  34          1HG       PRO  34   8.851 -10.325  -9.375
  239   2HG   PRO  34          2HG       PRO  34   8.467  -8.717 -10.005
  240   1HD   PRO  34          1HD       PRO  34   6.697 -10.326  -8.667
  241   2HD   PRO  34          2HD       PRO  34   6.220  -9.038  -9.792
  242    H    THR  35           H        THR  35   8.424 -12.271  -9.496
  243    HA   THR  35           HA       THR  35   9.458 -14.730 -10.752
  244    HB   THR  35           HB       THR  35  10.623 -14.959  -8.657
  245    HG1  THR  35           HG1      THR  35   8.520 -13.346  -7.769
  246   1HG2  THR  35          1HG2      THR  35  10.744 -12.656 -10.210
  247   2HG2  THR  35          2HG2      THR  35  11.939 -13.164  -9.017
  248   3HG2  THR  35          3HG2      THR  35  10.657 -12.044  -8.559
  249    H    GLY  36           H        GLY  36   6.742 -13.757  -8.803
  250   1HA   GLY  36          1HA       GLY  36   4.786 -15.037  -8.366
  251   2HA   GLY  36          2HA       GLY  36   5.613 -16.461  -8.998
  252    H    THR  37           H        THR  37   7.905 -15.434  -7.061
  253    HA   THR  37           HA       THR  37   7.478 -17.352  -4.993
  254    HB   THR  37           HB       THR  37   9.150 -14.843  -4.819
  255    HG1  THR  37           HG1      THR  37  10.142 -17.177  -5.966
  256   1HG2  THR  37          1HG2      THR  37   9.346 -17.643  -3.726
  257   2HG2  THR  37          2HG2      THR  37   9.296 -16.123  -2.833
  258   3HG2  THR  37          3HG2      THR  37  10.732 -16.553  -3.763
  259    H    THR  38           H        THR  38   7.119 -16.896  -2.691
  260    HA   THR  38           HA       THR  38   5.426 -14.459  -2.217
  261    HB   THR  38           HB       THR  38   4.732 -16.456  -0.368
  262    HG1  THR  38           HG1      THR  38   4.191 -18.064  -2.177
  263   1HG2  THR  38          1HG2      THR  38   2.711 -16.654  -1.998
  264   2HG2  THR  38          2HG2      THR  38   3.535 -15.394  -2.916
  265   3HG2  THR  38          3HG2      THR  38   3.040 -15.091  -1.251
  266    H    GLN  39           H        GLN  39   5.482 -13.736   0.108
  267    HA   GLN  39           HA       GLN  39   7.844 -14.672   1.658
  268   1HB   GLN  39          1HB       GLN  39   7.354 -11.802   0.792
  269   2HB   GLN  39          2HB       GLN  39   8.698 -12.365   1.787
  270   1HG   GLN  39          1HG       GLN  39   9.143 -14.000  -0.216
  271   2HG   GLN  39          2HG       GLN  39   8.185 -12.839  -1.135
  272   1HE2  GLN  39          1HE2      GLN  39  11.169 -13.415  -1.247
  273   2HE2  GLN  39          2HE2      GLN  39  11.909 -11.912  -0.982
  274    H    TRP  40           H        TRP  40   7.601 -12.149   3.282
  275    HA   TRP  40           HA       TRP  40   4.889 -12.442   4.477
  276   1HB   TRP  40          1HB       TRP  40   7.565 -13.031   5.756
  277   2HB   TRP  40          2HB       TRP  40   6.142 -12.653   6.727
  278    HD1  TRP  40           HD1      TRP  40   7.893 -15.536   5.598
  279    HE1  TRP  40           HE1      TRP  40   6.362 -17.596   5.358
  280    HE3  TRP  40           HE3      TRP  40   3.326 -13.252   5.666
  281    HZ2  TRP  40           HZ2      TRP  40   3.568 -18.195   5.214
  282    HZ3  TRP  40           HZ3      TRP  40   1.249 -14.589   5.477
  283    HH2  TRP  40           HH2      TRP  40   1.364 -17.055   5.250
  284    H    GLU  41           H        GLU  41   8.041 -10.784   4.514
  285    HA   GLU  41           HA       GLU  41   6.735  -8.356   5.668
  286   1HB   GLU  41          1HB       GLU  41   9.673  -8.917   5.187
  287   2HB   GLU  41          2HB       GLU  41   8.968  -7.749   6.305
  288   1HG   GLU  41          1HG       GLU  41   8.051  -9.540   7.675
  289   2HG   GLU  41          2HG       GLU  41   8.608 -10.750   6.519
  290    HA   PRO  42           HA       PRO  42   7.023  -6.168   1.875
  291   1HB   PRO  42          1HB       PRO  42   7.849  -3.685   2.679
  292   2HB   PRO  42          2HB       PRO  42   6.213  -4.304   2.979
  293   1HG   PRO  42          1HG       PRO  42   8.547  -4.154   4.821
  294   2HG   PRO  42          2HG       PRO  42   6.831  -3.861   5.147
  295   1HD   PRO  42          1HD       PRO  42   8.111  -6.168   5.822
  296   2HD   PRO  42          2HD       PRO  42   6.374  -6.084   5.455
  297    HA   PRO  43           HA       PRO  43  11.356  -6.721   0.909
  298   1HB   PRO  43          1HB       PRO  43  11.070  -6.499  -1.804
  299   2HB   PRO  43          2HB       PRO  43  10.661  -7.974  -0.907
  300   1HG   PRO  43          1HG       PRO  43   8.875  -5.838  -1.951
  301   2HG   PRO  43          2HG       PRO  43   8.624  -7.589  -1.888
  302   1HD   PRO  43          1HD       PRO  43   7.497  -5.833  -0.124
  303   2HD   PRO  43          2HD       PRO  43   7.849  -7.532   0.262
  304    H    GLY  44           H        GLY  44   9.306  -4.023   0.139
  305   1HA   GLY  44          1HA       GLY  44   9.785  -1.775  -0.342
  306   2HA   GLY  44          2HA       GLY  44  11.258  -2.045   0.592
  307    H    ARG  45           H        ARG  45  11.910  -0.399  -1.228
  308    HA   ARG  45           HA       ARG  45  12.231  -0.950  -3.918
  309   1HB   ARG  45          1HB       ARG  45  13.505   0.627  -1.856
  310   2HB   ARG  45          2HB       ARG  45  14.710   0.060  -3.013
  311   1HG   ARG  45          1HG       ARG  45  13.296   0.914  -4.871
  312   2HG   ARG  45          2HG       ARG  45  12.150   1.541  -3.685
  313   1HD   ARG  45          1HD       ARG  45  15.071   2.317  -3.578
  314   2HD   ARG  45          2HD       ARG  45  13.914   3.207  -4.588
  315    HE   ARG  45           HE       ARG  45  13.365   2.754  -1.681
  316   1HH1  ARG  45          1HH1      ARG  45  11.686   4.264  -3.873
  317   2HH1  ARG  45          2HH1      ARG  45  11.962   5.897  -3.366
  318   1HH2  ARG  45          1HH2      ARG  45  14.598   5.080  -1.267
  319   2HH2  ARG  45          2HH2      ARG  45  13.611   6.358  -1.890
  320    H    ALA  46           H        ALA  46  14.692  -1.817  -1.476
  321    HA   ALA  46           HA       ALA  46  16.211  -3.630  -1.418
  322   1HB   ALA  46          1HB       ALA  46  14.846  -5.244  -3.419
  323   2HB   ALA  46          2HB       ALA  46  13.699  -4.535  -2.282
  324   3HB   ALA  46          3HB       ALA  46  15.024  -5.538  -1.690
  325    H    SER  47           H        SER  47  18.140  -3.196  -2.425
  326    HA   SER  47           HA       SER  47  18.172  -2.904  -5.401
  327   1HB   SER  47          1HB       SER  47  19.176  -1.369  -3.323
  328   2HB   SER  47          2HB       SER  47  20.592  -2.262  -3.867
  329    HG   SER  47           HG       SER  47  19.699  -0.143  -4.957
  330    HA   PRO  48           HA       PRO  48  20.147  -6.901  -5.370
  331   1HB   PRO  48          1HB       PRO  48  20.589  -7.036  -8.068
  332   2HB   PRO  48          2HB       PRO  48  19.000  -7.332  -7.334
  333   1HG   PRO  48          1HG       PRO  48  20.025  -4.906  -8.712
  334   2HG   PRO  48          2HG       PRO  48  18.408  -5.626  -8.743
  335   1HD   PRO  48          1HD       PRO  48  19.077  -3.429  -7.250
  336   2HD   PRO  48          2HD       PRO  48  17.751  -4.540  -6.846
  337    H    SER  49           H        SER  49  22.047  -5.928  -4.242
  338    HA   SER  49           HA       SER  49  24.299  -5.335  -6.137
  339   1HB   SER  49          1HB       SER  49  23.601  -3.344  -4.932
  340   2HB   SER  49          2HB       SER  49  23.618  -4.215  -3.402
  341    HG   SER  49           HG       SER  49  25.849  -3.731  -5.096
  342    H    GLN  50           H        GLN  50  26.471  -5.879  -5.141
  343    HA   GLN  50           HA       GLN  50  26.326  -8.522  -3.819
  344   1HB   GLN  50          1HB       GLN  50  27.759  -7.672  -5.868
  345   2HB   GLN  50          2HB       GLN  50  28.842  -7.079  -4.606
  346   1HG   GLN  50          1HG       GLN  50  27.939  -9.806  -4.082
  347   2HG   GLN  50          2HG       GLN  50  28.786  -9.672  -5.624
  348   1HE2  GLN  50          1HE2      GLN  50  29.510 -10.588  -2.642
  349   2HE2  GLN  50          2HE2      GLN  50  31.050  -9.904  -2.436
  Start of MODEL   22
    1    H    ASP   1           H        ASP   1  -3.030   5.435 -22.400
    2    HA   ASP   1           HA       ASP   1  -2.927   6.443 -20.246
    3   1HB   ASP   1          1HB       ASP   1  -2.807   8.803 -22.033
    4   2HB   ASP   1          2HB       ASP   1  -3.718   9.042 -20.540
    5    H    SER   2           H        SER   2  -4.840   4.906 -20.737
    6    HA   SER   2           HA       SER   2  -7.410   6.301 -21.252
    7   1HB   SER   2          1HB       SER   2  -6.616   4.064 -22.256
    8   2HB   SER   2          2HB       SER   2  -6.918   3.375 -20.664
    9    HG   SER   2           HG       SER   2  -9.074   4.296 -20.876
   10    H    PHE   3           H        PHE   3  -9.216   5.983 -19.720
   11    HA   PHE   3           HA       PHE   3  -8.383   6.323 -16.940
   12   1HB   PHE   3          1HB       PHE   3 -10.256   7.527 -18.092
   13   2HB   PHE   3          2HB       PHE   3 -11.132   6.000 -18.189
   14    HD1  PHE   3           HD1      PHE   3 -12.769   5.723 -16.565
   15    HD2  PHE   3           HD2      PHE   3  -9.179   7.862 -15.569
   16    HE1  PHE   3           HE1      PHE   3 -13.608   6.057 -14.255
   17    HE2  PHE   3           HE2      PHE   3 -10.018   8.196 -13.260
   18    HZ   PHE   3           HZ       PHE   3 -12.232   7.293 -12.602
   19    H    TRP   4           H        TRP   4  -7.644   4.412 -15.990
   20    HA   TRP   4           HA       TRP   4  -8.506   1.778 -16.546
   21   1HB   TRP   4          1HB       TRP   4  -7.342   1.247 -14.506
   22   2HB   TRP   4          2HB       TRP   4  -6.502   2.622 -15.222
   23    HD1  TRP   4           HD1      TRP   4  -7.294   5.102 -14.237
   24    HE1  TRP   4           HE1      TRP   4  -7.866   5.744 -11.806
   25    HE3  TRP   4           HE3      TRP   4  -8.236   0.472 -12.301
   26    HZ2  TRP   4           HZ2      TRP   4  -8.623   4.462  -9.363
   27    HZ3  TRP   4           HZ3      TRP   4  -8.881   0.211  -9.923
   28    HH2  TRP   4           HH2      TRP   4  -9.075   2.198  -8.452
   29    H    ASN   5           H        ASN   5  -9.509   0.500 -14.439
   30    HA   ASN   5           HA       ASN   5 -12.294   1.107 -14.394
   31   1HB   ASN   5          1HB       ASN   5 -10.363  -0.688 -13.030
   32   2HB   ASN   5          2HB       ASN   5 -11.892  -0.433 -12.188
   33   1HD2  ASN   5          1HD2      ASN   5 -12.552  -2.674 -12.693
   34   2HD2  ASN   5          2HD2      ASN   5 -13.056  -3.091 -14.259
   35    HA   PRO   6           HA       PRO   6 -12.631   4.144 -11.244
   36   1HB   PRO   6          1HB       PRO   6 -15.032   3.474 -10.115
   37   2HB   PRO   6          2HB       PRO   6 -14.893   4.218 -11.721
   38   1HG   PRO   6          1HG       PRO   6 -15.355   1.376 -10.987
   39   2HG   PRO   6          2HG       PRO   6 -16.025   2.320 -12.326
   40   1HD   PRO   6          1HD       PRO   6 -13.974   0.526 -12.596
   41   2HD   PRO   6          2HD       PRO   6 -14.234   1.909 -13.680
   42    H    ASN   7           H        ASN   7 -14.460   1.803  -9.390
   43    HA   ASN   7           HA       ASN   7 -12.583   2.024  -7.149
   44   1HB   ASN   7          1HB       ASN   7 -15.143   1.953  -7.102
   45   2HB   ASN   7          2HB       ASN   7 -15.002   0.229  -7.447
   46   1HD2  ASN   7          1HD2      ASN   7 -16.175   0.738  -5.047
   47   2HD2  ASN   7          2HD2      ASN   7 -15.100   0.486  -3.758
   48    H    ALA   8           H        ALA   8 -14.017  -0.849  -8.750
   49    HA   ALA   8           HA       ALA   8 -13.099  -3.002  -9.099
   50   1HB   ALA   8          1HB       ALA   8 -10.675  -2.833  -9.866
   51   2HB   ALA   8          2HB       ALA   8 -10.754  -1.117  -9.463
   52   3HB   ALA   8          3HB       ALA   8 -11.802  -1.777 -10.719
   53    H    PHE   9           H        PHE   9 -10.799  -4.231  -8.370
   54    HA   PHE   9           HA       PHE   9 -11.010  -4.382  -5.459
   55   1HB   PHE   9          1HB       PHE   9  -9.564  -5.768  -7.690
   56   2HB   PHE   9          2HB       PHE   9  -8.999  -6.022  -6.039
   57    HD1  PHE   9           HD1      PHE   9  -9.689  -8.267  -5.640
   58    HD2  PHE   9           HD2      PHE   9 -12.500  -5.384  -7.134
   59    HE1  PHE   9           HE1      PHE   9 -11.540  -9.871  -5.250
   60    HE2  PHE   9           HE2      PHE   9 -14.351  -6.987  -6.745
   61    HZ   PHE   9           HZ       PHE   9 -13.871  -9.231  -5.803
   62    H    GLU  10           H        GLU  10  -9.781  -3.194  -4.052
   63    HA   GLU  10           HA       GLU  10  -7.979  -1.162  -4.738
   64   1HB   GLU  10          1HB       GLU  10  -8.403  -2.915  -2.325
   65   2HB   GLU  10          2HB       GLU  10  -7.135  -1.687  -2.314
   66   1HG   GLU  10          1HG       GLU  10  -8.625   0.038  -2.241
   67   2HG   GLU  10          2HG       GLU  10  -9.767  -0.773  -3.312
   68    H    THR  11           H        THR  11  -5.584  -1.109  -4.419
   69    HA   THR  11           HA       THR  11  -4.326  -3.660  -5.357
   70    HB   THR  11           HB       THR  11  -3.015  -0.967  -5.484
   71    HG1  THR  11           HG1      THR  11  -4.886  -1.793  -7.421
   72   1HG2  THR  11          1HG2      THR  11  -2.552  -3.549  -6.518
   73   2HG2  THR  11          2HG2      THR  11  -1.669  -2.072  -6.905
   74   3HG2  THR  11          3HG2      THR  11  -3.045  -2.559  -7.893
   75    H    ASP  12           H        ASP  12  -1.673  -3.018  -4.760
   76    HA   ASP  12           HA       ASP  12  -1.362  -3.852  -2.073
   77   1HB   ASP  12          1HB       ASP  12   1.002  -3.066  -2.470
   78   2HB   ASP  12          2HB       ASP  12   0.364  -4.068  -3.773
   79    H    SER  13           H        SER  13   0.096  -2.343  -0.534
   80    HA   SER  13           HA       SER  13  -1.422   0.214  -0.208
   81   1HB   SER  13          1HB       SER  13  -0.775  -1.980   1.485
   82   2HB   SER  13          2HB       SER  13   0.059  -0.559   2.104
   83    HG   SER  13           HG       SER  13  -2.586  -0.267   1.273
   84    H    ASP  14           H        ASP  14   1.813  -1.153   0.440
   85    HA   ASP  14           HA       ASP  14   3.060   1.318  -0.625
   86   1HB   ASP  14          1HB       ASP  14   2.491   0.943   2.097
   87   2HB   ASP  14          2HB       ASP  14   4.213   0.586   1.945
   88    H    LEU  15           H        LEU  15   3.152  -1.249  -1.746
   89    HA   LEU  15           HA       LEU  15   5.755  -2.437  -0.912
   90   1HB   LEU  15          1HB       LEU  15   3.390  -3.257  -2.599
   91   2HB   LEU  15          2HB       LEU  15   4.909  -4.141  -2.704
   92    HG   LEU  15           HG       LEU  15   3.336  -5.136  -1.042
   93   1HD1  LEU  15          1HD1      LEU  15   5.297  -5.828  -0.171
   94   2HD1  LEU  15          2HD1      LEU  15   5.220  -4.449   0.926
   95   3HD1  LEU  15          3HD1      LEU  15   6.083  -4.310  -0.605
   96   1HD2  LEU  15          1HD2      LEU  15   2.391  -2.855  -0.392
   97   2HD2  LEU  15          2HD2      LEU  15   3.850  -2.626   0.572
   98   3HD2  LEU  15          3HD2      LEU  15   2.740  -3.944   0.950
   99    HA   PRO  16           HA       PRO  16   7.950  -0.890  -4.390
  100   1HB   PRO  16          1HB       PRO  16   9.260  -3.100  -5.352
  101   2HB   PRO  16          2HB       PRO  16   9.725  -2.273  -3.851
  102   1HG   PRO  16          1HG       PRO  16   8.097  -4.744  -4.221
  103   2HG   PRO  16          2HG       PRO  16   9.357  -4.395  -3.026
  104   1HD   PRO  16          1HD       PRO  16   6.727  -4.275  -2.430
  105   2HD   PRO  16          2HD       PRO  16   7.925  -3.208  -1.666
  106    H    ALA  17           H        ALA  17   8.549  -2.159  -6.846
  107    HA   ALA  17           HA       ALA  17   5.866  -2.145  -8.096
  108   1HB   ALA  17          1HB       ALA  17   8.400  -2.494  -9.633
  109   2HB   ALA  17          2HB       ALA  17   8.199  -0.982  -8.748
  110   3HB   ALA  17          3HB       ALA  17   7.019  -1.450  -9.973
  111    H    GLY  18           H        GLY  18   4.846  -4.008  -8.647
  112   1HA   GLY  18          1HA       GLY  18   4.751  -6.173  -9.704
  113   2HA   GLY  18          2HA       GLY  18   6.461  -6.398  -9.345
  114    H    TRP  19           H        TRP  19   5.802  -5.322  -6.509
  115    HA   TRP  19           HA       TRP  19   5.167  -8.004  -5.418
  116   1HB   TRP  19          1HB       TRP  19   6.343  -5.419  -4.473
  117   2HB   TRP  19          2HB       TRP  19   5.634  -6.491  -3.263
  118    HD1  TRP  19           HD1      TRP  19   8.650  -6.049  -5.425
  119    HE1  TRP  19           HE1      TRP  19  10.268  -8.029  -5.097
  120    HE3  TRP  19           HE3      TRP  19   5.648  -9.213  -2.767
  121    HZ2  TRP  19           HZ2      TRP  19  10.286 -10.614  -3.873
  122    HZ3  TRP  19           HZ3      TRP  19   6.491 -11.428  -2.036
  123    HH2  TRP  19           HH2      TRP  19   8.803 -12.130  -2.586
  124    H    MET  20           H        MET  20   3.152  -8.516  -4.662
  125    HA   MET  20           HA       MET  20   1.136  -6.318  -4.434
  126   1HB   MET  20          1HB       MET  20   0.743  -9.316  -4.627
  127   2HB   MET  20          2HB       MET  20  -0.464  -8.066  -4.910
  128   1HG   MET  20          1HG       MET  20   2.066  -8.219  -6.545
  129   2HG   MET  20          2HG       MET  20   0.618  -9.123  -6.988
  130   1HE   MET  20          1HE       MET  20   1.812  -5.518  -8.597
  131   2HE   MET  20          2HE       MET  20   2.662  -6.643  -7.541
  132   3HE   MET  20          3HE       MET  20   2.022  -5.140  -6.882
  133    H    ARG  21           H        ARG  21  -0.533  -6.666  -2.702
  134    HA   ARG  21           HA       ARG  21   0.678  -7.872  -0.232
  135   1HB   ARG  21          1HB       ARG  21   0.584  -5.380  -0.312
  136   2HB   ARG  21          2HB       ARG  21  -1.160  -5.473  -0.555
  137   1HG   ARG  21          1HG       ARG  21  -1.378  -6.677   1.607
  138   2HG   ARG  21          2HG       ARG  21   0.359  -6.502   1.860
  139   1HD   ARG  21          1HD       ARG  21  -0.070  -3.951   1.516
  140   2HD   ARG  21          2HD       ARG  21  -1.763  -4.358   1.856
  141    HE   ARG  21           HE       ARG  21  -1.016  -5.306   4.021
  142   1HH1  ARG  21          1HH1      ARG  21   0.495  -2.595   2.770
  143   2HH1  ARG  21          2HH1      ARG  21   1.841  -2.618   3.860
  144   1HH2  ARG  21          1HH2      ARG  21   1.047  -5.720   5.193
  145   2HH2  ARG  21          2HH2      ARG  21   2.155  -4.389   5.230
  146    H    VAL  22           H        VAL  22  -0.469  -9.765   0.117
  147    HA   VAL  22           HA       VAL  22  -3.423  -9.718  -0.391
  148    HB   VAL  22           HB       VAL  22  -1.507 -12.049  -0.142
  149   1HG1  VAL  22          1HG1      VAL  22  -4.416 -11.738  -0.655
  150   2HG1  VAL  22          2HG1      VAL  22  -3.543 -13.063   0.116
  151   3HG1  VAL  22          3HG1      VAL  22  -3.569 -12.930  -1.642
  152   1HG2  VAL  22          1HG2      VAL  22  -1.472 -12.116  -2.568
  153   2HG2  VAL  22          2HG2      VAL  22  -1.004 -10.492  -2.064
  154   3HG2  VAL  22          3HG2      VAL  22  -2.636 -10.794  -2.662
  155    H    GLN  23           H        GLN  23  -4.692 -11.095   1.139
  156    HA   GLN  23           HA       GLN  23  -3.553 -11.008   3.914
  157   1HB   GLN  23          1HB       GLN  23  -5.755  -9.679   2.756
  158   2HB   GLN  23          2HB       GLN  23  -6.451 -10.960   3.749
  159   1HG   GLN  23          1HG       GLN  23  -5.669 -10.057   5.709
  160   2HG   GLN  23          2HG       GLN  23  -4.212  -9.411   4.951
  161   1HE2  GLN  23          1HE2      GLN  23  -4.217  -7.177   4.707
  162   2HE2  GLN  23          2HE2      GLN  23  -5.608  -6.208   4.610
  163    H    ASP  24           H        ASP  24  -3.126 -13.132   4.445
  164    HA   ASP  24           HA       ASP  24  -5.110 -15.212   3.600
  165   1HB   ASP  24          1HB       ASP  24  -2.287 -14.955   3.397
  166   2HB   ASP  24          2HB       ASP  24  -2.620 -16.276   4.511
  167    H    THR  25           H        THR  25  -4.900 -17.186   5.243
  168    HA   THR  25           HA       THR  25  -5.996 -16.390   7.744
  169    HB   THR  25           HB       THR  25  -5.850 -18.747   8.238
  170    HG1  THR  25           HG1      THR  25  -4.136 -19.228   6.095
  171   1HG2  THR  25          1HG2      THR  25  -7.133 -17.875   6.112
  172   2HG2  THR  25          2HG2      THR  25  -6.963 -19.609   6.383
  173   3HG2  THR  25          3HG2      THR  25  -5.902 -18.788   5.238
  174    H    SER  26           H        SER  26  -2.680 -17.458   6.923
  175    HA   SER  26           HA       SER  26  -1.610 -17.285   9.572
  176   1HB   SER  26          1HB       SER  26  -0.723 -17.623   6.806
  177   2HB   SER  26          2HB       SER  26   0.452 -16.743   7.780
  178    HG   SER  26           HG       SER  26   0.953 -18.736   8.332
  179    H    GLY  27           H        GLY  27  -2.191 -14.861   7.093
  180   1HA   GLY  27          1HA       GLY  27  -2.370 -12.584   8.498
  181   2HA   GLY  27          2HA       GLY  27  -0.625 -12.833   8.572
  182    H    THR  28           H        THR  28  -1.225 -10.573   7.355
  183    HA   THR  28           HA       THR  28  -1.776 -10.857   4.498
  184    HB   THR  28           HB       THR  28  -0.562  -8.509   5.975
  185    HG1  THR  28           HG1      THR  28  -2.930  -7.999   6.154
  186   1HG2  THR  28          1HG2      THR  28  -1.789  -7.205   4.316
  187   2HG2  THR  28          2HG2      THR  28  -2.504  -8.675   3.655
  188   3HG2  THR  28          3HG2      THR  28  -0.771  -8.390   3.497
  189    H    TYR  29           H        TYR  29  -0.233 -11.616   3.097
  190    HA   TYR  29           HA       TYR  29   2.646 -11.108   3.764
  191   1HB   TYR  29          1HB       TYR  29   3.061 -13.174   2.519
  192   2HB   TYR  29          2HB       TYR  29   1.832 -13.466   3.745
  193    HD1  TYR  29           HD1      TYR  29   2.530 -13.213   0.162
  194    HD2  TYR  29           HD2      TYR  29  -0.554 -13.677   3.116
  195    HE1  TYR  29           HE1      TYR  29   0.953 -13.958  -1.601
  196    HE2  TYR  29           HE2      TYR  29  -2.131 -14.421   1.352
  197    HH   TYR  29           HH       TYR  29  -1.054 -14.911  -1.987
  198    H    TYR  30           H        TYR  30   3.540 -11.882   1.123
  199    HA   TYR  30           HA       TYR  30   2.384  -9.717  -0.596
  200   1HB   TYR  30          1HB       TYR  30   5.300 -10.300   0.018
  201   2HB   TYR  30          2HB       TYR  30   4.735  -9.093  -1.138
  202    HD1  TYR  30           HD1      TYR  30   2.585  -7.703   0.041
  203    HD2  TYR  30           HD2      TYR  30   6.054  -9.321   1.991
  204    HE1  TYR  30           HE1      TYR  30   2.316  -6.063   1.882
  205    HE2  TYR  30           HE2      TYR  30   5.785  -7.681   3.832
  206    HH   TYR  30           HH       TYR  30   4.597  -5.217   3.939
  207    H    TRP  31           H        TRP  31   2.557 -10.137  -2.859
  208    HA   TRP  31           HA       TRP  31   3.403 -12.930  -3.561
  209   1HB   TRP  31          1HB       TRP  31   1.024 -12.699  -3.721
  210   2HB   TRP  31          2HB       TRP  31   1.163 -11.130  -4.510
  211    HD1  TRP  31           HD1      TRP  31   3.567 -13.745  -5.707
  212    HE1  TRP  31           HE1      TRP  31   2.870 -14.560  -8.052
  213    HE3  TRP  31           HE3      TRP  31  -1.044 -11.580  -6.059
  214    HZ2  TRP  31           HZ2      TRP  31   0.650 -14.322  -9.842
  215    HZ3  TRP  31           HZ3      TRP  31  -2.427 -11.889  -8.092
  216    HH2  TRP  31           HH2      TRP  31  -1.587 -13.256  -9.982
  217    H    HIS  32           H        HIS  32   5.277 -12.836  -4.736
  218    HA   HIS  32           HA       HIS  32   6.132 -10.429  -6.138
  219   1HB   HIS  32          1HB       HIS  32   7.367 -12.507  -4.958
  220   2HB   HIS  32          2HB       HIS  32   7.381 -13.096  -6.621
  221    HD1  HIS  32           HD1      HIS  32  10.103 -12.524  -5.754
  222    HD2  HIS  32           HD2      HIS  32   7.649  -9.426  -7.082
  223    HE1  HIS  32           HE1      HIS  32  11.641 -10.631  -6.433
  224    H    ILE  33           H        ILE  33   5.121  -9.891  -8.009
  225    HA   ILE  33           HA       ILE  33   3.716 -11.707  -9.731
  226    HB   ILE  33           HB       ILE  33   4.750  -8.884 -10.028
  227   1HG1  ILE  33          1HG1      ILE  33   3.127  -9.214  -8.220
  228   2HG1  ILE  33          2HG1      ILE  33   2.365  -8.357  -9.555
  229   1HG2  ILE  33          1HG2      ILE  33   3.056  -8.722 -11.860
  230   2HG2  ILE  33          2HG2      ILE  33   2.801 -10.463 -11.738
  231   3HG2  ILE  33          3HG2      ILE  33   4.368  -9.835 -12.248
  232   1HD1  ILE  33          1HD1      ILE  33   0.814 -10.047  -8.909
  233   2HD1  ILE  33          2HD1      ILE  33   2.080 -11.272  -8.831
  234   3HD1  ILE  33          3HD1      ILE  33   1.570 -10.628 -10.392
  235    HA   PRO  34           HA       PRO  34   7.523 -11.149 -12.608
  236   1HB   PRO  34          1HB       PRO  34   9.905 -10.482 -11.438
  237   2HB   PRO  34          2HB       PRO  34   8.756  -9.286 -12.068
  238   1HG   PRO  34          1HG       PRO  34   9.272 -10.127  -9.272
  239   2HG   PRO  34          2HG       PRO  34   8.846  -8.534  -9.915
  240   1HD   PRO  34          1HD       PRO  34   7.093 -10.232  -8.660
  241   2HD   PRO  34          2HD       PRO  34   6.611  -8.948  -9.787
  242    H    THR  35           H        THR  35   8.728 -12.181  -9.371
  243    HA   THR  35           HA       THR  35  10.072 -14.506 -10.588
  244    HB   THR  35           HB       THR  35  10.888 -14.833  -8.319
  245    HG1  THR  35           HG1      THR  35   9.752 -14.211  -6.678
  246   1HG2  THR  35          1HG2      THR  35  10.755 -12.028  -9.371
  247   2HG2  THR  35          2HG2      THR  35  12.141 -13.111  -9.252
  248   3HG2  THR  35          3HG2      THR  35  11.509 -12.325  -7.805
  249    H    GLY  36           H        GLY  36   7.067 -13.791  -8.973
  250   1HA   GLY  36          1HA       GLY  36   5.145 -15.187  -8.874
  251   2HA   GLY  36          2HA       GLY  36   6.122 -16.523  -9.486
  252    H    THR  37           H        THR  37   8.094 -15.535  -7.201
  253    HA   THR  37           HA       THR  37   7.333 -17.584  -5.303
  254    HB   THR  37           HB       THR  37   9.300 -15.291  -5.090
  255    HG1  THR  37           HG1      THR  37   9.654 -17.943  -6.028
  256   1HG2  THR  37          1HG2      THR  37   9.127 -16.213  -2.946
  257   2HG2  THR  37          2HG2      THR  37  10.473 -17.109  -3.653
  258   3HG2  THR  37          3HG2      THR  37   8.872 -17.843  -3.567
  259    H    THR  38           H        THR  38   7.050 -17.058  -2.940
  260    HA   THR  38           HA       THR  38   5.441 -14.551  -2.567
  261    HB   THR  38           HB       THR  38   4.473 -16.288  -0.709
  262    HG1  THR  38           HG1      THR  38   4.956 -17.903  -2.965
  263   1HG2  THR  38          1HG2      THR  38   3.733 -15.449  -3.428
  264   2HG2  THR  38          2HG2      THR  38   2.760 -15.485  -1.957
  265   3HG2  THR  38          3HG2      THR  38   2.968 -16.952  -2.913
  266    H    GLN  39           H        GLN  39   5.544 -13.656  -0.362
  267    HA   GLN  39           HA       GLN  39   7.695 -14.690   1.406
  268   1HB   GLN  39          1HB       GLN  39   7.652 -11.974   0.053
  269   2HB   GLN  39          2HB       GLN  39   8.733 -12.386   1.385
  270   1HG   GLN  39          1HG       GLN  39   9.450 -14.401  -0.056
  271   2HG   GLN  39          2HG       GLN  39   8.660 -13.563  -1.393
  272   1HE2  GLN  39          1HE2      GLN  39  11.665 -14.046  -0.407
  273   2HE2  GLN  39          2HE2      GLN  39  12.364 -12.522  -0.670
  274    H    TRP  40           H        TRP  40   7.838 -12.782   3.282
  275    HA   TRP  40           HA       TRP  40   5.026 -12.000   3.964
  276   1HB   TRP  40          1HB       TRP  40   7.059 -13.538   5.601
  277   2HB   TRP  40          2HB       TRP  40   5.603 -12.828   6.298
  278    HD1  TRP  40           HD1      TRP  40   6.704 -15.454   3.722
  279    HE1  TRP  40           HE1      TRP  40   4.775 -17.131   3.388
  280    HE3  TRP  40           HE3      TRP  40   3.090 -13.216   6.553
  281    HZ2  TRP  40           HZ2      TRP  40   2.058 -17.476   4.212
  282    HZ3  TRP  40           HZ3      TRP  40   0.843 -14.239   6.760
  283    HH2  TRP  40           HH2      TRP  40   0.322 -16.364   5.594
  284    H    GLU  41           H        GLU  41   8.128 -10.958   3.473
  285    HA   GLU  41           HA       GLU  41   7.934  -8.823   5.572
  286   1HB   GLU  41          1HB       GLU  41  10.362  -9.735   4.004
  287   2HB   GLU  41          2HB       GLU  41  10.340  -8.762   5.476
  288   1HG   GLU  41          1HG       GLU  41   9.165 -10.773   6.576
  289   2HG   GLU  41          2HG       GLU  41   9.685 -11.693   5.164
  290    HA   PRO  42           HA       PRO  42   7.584  -5.809   2.403
  291   1HB   PRO  42          1HB       PRO  42   9.077  -3.748   3.410
  292   2HB   PRO  42          2HB       PRO  42   7.495  -4.208   4.072
  293   1HG   PRO  42          1HG       PRO  42  10.221  -4.824   5.087
  294   2HG   PRO  42          2HG       PRO  42   8.744  -4.436   5.981
  295   1HD   PRO  42          1HD       PRO  42   9.723  -6.972   5.691
  296   2HD   PRO  42          2HD       PRO  42   8.006  -6.599   5.955
  297    HA   PRO  43           HA       PRO  43  11.391  -6.771   0.185
  298   1HB   PRO  43          1HB       PRO  43  10.326  -6.359  -2.301
  299   2HB   PRO  43          2HB       PRO  43  10.090  -7.861  -1.387
  300   1HG   PRO  43          1HG       PRO  43   8.245  -5.557  -1.748
  301   2HG   PRO  43          2HG       PRO  43   7.889  -7.290  -1.688
  302   1HD   PRO  43          1HD       PRO  43   7.479  -5.586   0.407
  303   2HD   PRO  43          2HD       PRO  43   7.800  -7.324   0.596
  304    H    GLY  44           H        GLY  44  11.934  -5.357  -2.190
  305   1HA   GLY  44          1HA       GLY  44  11.630  -2.803  -2.730
  306   2HA   GLY  44          2HA       GLY  44  12.306  -2.607  -1.112
  307    H    ARG  45           H        ARG  45  13.043  -4.386  -4.136
  308    HA   ARG  45           HA       ARG  45  15.945  -4.127  -3.528
  309   1HB   ARG  45          1HB       ARG  45  14.644  -6.256  -4.267
  310   2HB   ARG  45          2HB       ARG  45  14.667  -5.531  -5.875
  311   1HG   ARG  45          1HG       ARG  45  16.975  -5.704  -6.071
  312   2HG   ARG  45          2HG       ARG  45  17.229  -5.674  -4.325
  313   1HD   ARG  45          1HD       ARG  45  15.761  -7.972  -4.588
  314   2HD   ARG  45          2HD       ARG  45  16.695  -7.980  -6.098
  315    HE   ARG  45           HE       ARG  45  18.345  -7.243  -3.830
  316   1HH1  ARG  45          1HH1      ARG  45  17.105  -9.781  -2.883
  317   2HH1  ARG  45          2HH1      ARG  45  18.170 -10.982  -3.532
  318   1HH2  ARG  45          1HH2      ARG  45  19.641  -8.824  -5.815
  319   2HH2  ARG  45          2HH2      ARG  45  19.608 -10.439  -5.192
  320    H    ALA  46           H        ALA  46  13.480  -2.715  -5.505
  321    HA   ALA  46           HA       ALA  46  15.287  -1.736  -7.598
  322   1HB   ALA  46          1HB       ALA  46  12.418  -1.156  -6.801
  323   2HB   ALA  46          2HB       ALA  46  12.961  -2.238  -8.084
  324   3HB   ALA  46          3HB       ALA  46  13.185  -0.497  -8.245
  325    H    SER  47           H        SER  47  16.328   0.244  -7.596
  326    HA   SER  47           HA       SER  47  17.043   2.366  -6.834
  327   1HB   SER  47          1HB       SER  47  15.277   3.760  -6.335
  328   2HB   SER  47          2HB       SER  47  14.341   2.374  -6.889
  329    HG   SER  47           HG       SER  47  13.715   3.214  -4.801
  330    HA   PRO  48           HA       PRO  48  18.784   1.552  -2.886
  331   1HB   PRO  48          1HB       PRO  48  19.470   4.086  -2.105
  332   2HB   PRO  48          2HB       PRO  48  20.346   3.190  -3.363
  333   1HG   PRO  48          1HG       PRO  48  18.299   5.333  -3.643
  334   2HG   PRO  48          2HG       PRO  48  19.766   5.040  -4.589
  335   1HD   PRO  48          1HD       PRO  48  17.264   4.365  -5.441
  336   2HD   PRO  48          2HD       PRO  48  18.740   3.517  -5.954
  337    H    SER  49           H        SER  49  17.652   4.748  -1.997
  338    HA   SER  49           HA       SER  49  15.853   3.495   0.036
  339   1HB   SER  49          1HB       SER  49  17.376   4.838   1.160
  340   2HB   SER  49          2HB       SER  49  17.542   5.953  -0.193
  341    HG   SER  49           HG       SER  49  15.430   5.730   1.681
  342    H    GLN  50           H        GLN  50  13.737   4.479   0.381
  343    HA   GLN  50           HA       GLN  50  12.698   5.916  -2.041
  344   1HB   GLN  50          1HB       GLN  50  12.024   3.459  -1.035
  345   2HB   GLN  50          2HB       GLN  50  10.837   4.491  -0.236
  346   1HG   GLN  50          1HG       GLN  50  11.347   4.768  -3.190
  347   2HG   GLN  50          2HG       GLN  50  10.257   3.519  -2.586
  348   1HE2  GLN  50          1HE2      GLN  50   9.087   5.480  -4.146
  349   2HE2  GLN  50          2HE2      GLN  50   8.176   6.543  -3.185
  Start of MODEL   23
    1    H    ASP   1           H        ASP   1 -14.831   6.819   1.585
    2    HA   ASP   1           HA       ASP   1 -17.424   6.886   0.241
    3   1HB   ASP   1          1HB       ASP   1 -14.782   8.376   0.208
    4   2HB   ASP   1          2HB       ASP   1 -16.150   8.808  -0.818
    5    H    SER   2           H        SER   2 -17.685   5.348  -1.354
    6    HA   SER   2           HA       SER   2 -15.972   5.301  -3.661
    7   1HB   SER   2          1HB       SER   2 -15.130   2.918  -3.202
    8   2HB   SER   2          2HB       SER   2 -14.387   4.201  -2.251
    9    HG   SER   2           HG       SER   2 -15.939   2.103  -1.465
   10    H    PHE   3           H        PHE   3 -16.436   2.729  -4.607
   11    HA   PHE   3           HA       PHE   3 -19.219   1.926  -4.157
   12   1HB   PHE   3          1HB       PHE   3 -19.089   4.106  -5.598
   13   2HB   PHE   3          2HB       PHE   3 -18.542   3.026  -6.881
   14    HD1  PHE   3           HD1      PHE   3 -20.257   2.482  -8.354
   15    HD2  PHE   3           HD2      PHE   3 -21.120   2.785  -4.157
   16    HE1  PHE   3           HE1      PHE   3 -22.603   1.806  -8.787
   17    HE2  PHE   3           HE2      PHE   3 -23.467   2.110  -4.591
   18    HZ   PHE   3           HZ       PHE   3 -24.208   1.620  -6.907
   19    H    TRP   4           H        TRP   4 -16.718   1.891  -6.735
   20    HA   TRP   4           HA       TRP   4 -17.247  -0.643  -7.821
   21   1HB   TRP   4          1HB       TRP   4 -15.377   1.375  -8.079
   22   2HB   TRP   4          2HB       TRP   4 -14.399   0.026  -7.503
   23    HD1  TRP   4           HD1      TRP   4 -16.568   1.134 -10.429
   24    HE1  TRP   4           HE1      TRP   4 -16.186  -0.471 -12.409
   25    HE3  TRP   4           HE3      TRP   4 -13.704  -2.423  -8.142
   26    HZ2  TRP   4           HZ2      TRP   4 -14.844  -2.938 -12.952
   27    HZ3  TRP   4           HZ3      TRP   4 -12.888  -4.388  -9.413
   28    HH2  TRP   4           HH2      TRP   4 -13.454  -4.650 -11.814
   29    H    ASN   5           H        ASN   5 -15.917   0.156  -4.713
   30    HA   ASN   5           HA       ASN   5 -14.880  -2.608  -4.312
   31   1HB   ASN   5          1HB       ASN   5 -14.479   0.101  -3.173
   32   2HB   ASN   5          2HB       ASN   5 -14.379  -1.228  -2.016
   33   1HD2  ASN   5          1HD2      ASN   5 -12.509   0.553  -4.162
   34   2HD2  ASN   5          2HD2      ASN   5 -11.262  -0.568  -4.421
   35    HA   PRO   6           HA       PRO   6 -18.937  -3.179  -2.403
   36   1HB   PRO   6          1HB       PRO   6 -18.841  -5.912  -2.491
   37   2HB   PRO   6          2HB       PRO   6 -19.310  -4.916  -3.884
   38   1HG   PRO   6          1HG       PRO   6 -16.713  -6.241  -3.297
   39   2HG   PRO   6          2HG       PRO   6 -17.554  -6.038  -4.842
   40   1HD   PRO   6          1HD       PRO   6 -15.434  -4.503  -4.051
   41   2HD   PRO   6          2HD       PRO   6 -16.685  -3.954  -5.187
   42    H    ASN   7           H        ASN   7 -15.795  -4.484  -1.552
   43    HA   ASN   7           HA       ASN   7 -16.721  -4.721   1.294
   44   1HB   ASN   7          1HB       ASN   7 -15.996  -6.773  -0.380
   45   2HB   ASN   7          2HB       ASN   7 -14.460  -6.402   0.405
   46   1HD2  ASN   7          1HD2      ASN   7 -17.571  -7.879   0.865
   47   2HD2  ASN   7          2HD2      ASN   7 -17.378  -8.260   2.508
   48    H    ALA   8           H        ALA   8 -15.189  -2.619  -0.429
   49    HA   ALA   8           HA       ALA   8 -13.378  -1.139  -0.080
   50   1HB   ALA   8          1HB       ALA   8 -14.463  -0.832   2.044
   51   2HB   ALA   8          2HB       ALA   8 -12.743  -1.023   2.388
   52   3HB   ALA   8          3HB       ALA   8 -13.849  -2.372   2.647
   53    H    PHE   9           H        PHE   9 -12.184  -3.330   2.384
   54    HA   PHE   9           HA       PHE   9 -10.198  -4.602   2.491
   55   1HB   PHE   9          1HB       PHE   9 -11.483  -5.851   0.774
   56   2HB   PHE   9          2HB       PHE   9 -10.801  -4.812  -0.478
   57    HD1  PHE   9           HD1      PHE   9  -9.256  -6.391   2.549
   58    HD2  PHE   9           HD2      PHE   9  -9.296  -6.093  -1.736
   59    HE1  PHE   9           HE1      PHE   9  -7.253  -7.848   2.429
   60    HE2  PHE   9           HE2      PHE   9  -7.293  -7.549  -1.856
   61    HZ   PHE   9           HZ       PHE   9  -6.271  -8.427   0.226
   62    H    GLU  10           H        GLU  10  -8.320  -3.484   2.855
   63    HA   GLU  10           HA       GLU  10  -7.457  -1.264   1.192
   64   1HB   GLU  10          1HB       GLU  10  -6.213  -2.864   3.448
   65   2HB   GLU  10          2HB       GLU  10  -5.474  -1.417   2.763
   66   1HG   GLU  10          1HG       GLU  10  -7.046  -0.009   3.677
   67   2HG   GLU  10          2HG       GLU  10  -8.331  -1.215   3.586
   68    H    THR  11           H        THR  11  -5.527  -1.212  -0.121
   69    HA   THR  11           HA       THR  11  -4.738  -3.894  -1.197
   70    HB   THR  11           HB       THR  11  -4.145  -1.293  -2.556
   71    HG1  THR  11           HG1      THR  11  -6.390  -1.609  -3.426
   72   1HG2  THR  11          1HG2      THR  11  -3.666  -2.786  -4.166
   73   2HG2  THR  11          2HG2      THR  11  -5.384  -3.178  -4.244
   74   3HG2  THR  11          3HG2      THR  11  -4.313  -4.107  -3.194
   75    H    ASP  12           H        ASP  12  -2.366  -3.405  -2.361
   76    HA   ASP  12           HA       ASP  12  -0.405  -3.517  -0.384
   77   1HB   ASP  12          1HB       ASP  12  -0.057  -4.066  -2.741
   78   2HB   ASP  12          2HB       ASP  12  -0.286  -2.376  -3.195
   79    H    SER  13           H        SER  13   1.136  -1.900   0.398
   80    HA   SER  13           HA       SER  13  -0.094   0.803   0.657
   81   1HB   SER  13          1HB       SER  13   1.990   0.765   2.381
   82   2HB   SER  13          2HB       SER  13   0.413   0.091   2.782
   83    HG   SER  13           HG       SER  13   2.518  -1.369   1.558
   84    H    ASP  14           H        ASP  14   3.337   0.262   1.078
   85    HA   ASP  14           HA       ASP  14   3.865   1.878  -1.396
   86   1HB   ASP  14          1HB       ASP  14   5.113   2.003   1.368
   87   2HB   ASP  14          2HB       ASP  14   5.684   2.927  -0.021
   88    H    LEU  15           H        LEU  15   4.008  -0.715  -1.892
   89    HA   LEU  15           HA       LEU  15   6.682  -1.799  -1.213
   90   1HB   LEU  15          1HB       LEU  15   4.149  -2.763  -2.530
   91   2HB   LEU  15          2HB       LEU  15   5.635  -3.696  -2.695
   92    HG   LEU  15           HG       LEU  15   4.411  -4.535  -0.775
   93   1HD1  LEU  15          1HD1      LEU  15   6.397  -2.917   0.695
   94   2HD1  LEU  15          2HD1      LEU  15   7.030  -3.748  -0.725
   95   3HD1  LEU  15          3HD1      LEU  15   6.250  -4.670   0.560
   96   1HD2  LEU  15          1HD2      LEU  15   4.575  -1.754   0.410
   97   2HD2  LEU  15          2HD2      LEU  15   3.667  -3.136   1.021
   98   3HD2  LEU  15          3HD2      LEU  15   3.154  -2.332  -0.461
   99    HA   PRO  16           HA       PRO  16   8.578  -0.817  -5.049
  100   1HB   PRO  16          1HB       PRO  16   9.813  -3.161  -5.754
  101   2HB   PRO  16          2HB       PRO  16  10.388  -2.122  -4.434
  102   1HG   PRO  16          1HG       PRO  16   8.759  -4.613  -4.306
  103   2HG   PRO  16          2HG       PRO  16  10.083  -4.077  -3.260
  104   1HD   PRO  16          1HD       PRO  16   7.473  -3.872  -2.554
  105   2HD   PRO  16          2HD       PRO  16   8.717  -2.733  -1.995
  106    H    ALA  17           H        ALA  17   8.698  -1.599  -7.446
  107    HA   ALA  17           HA       ALA  17   5.995  -2.255  -8.321
  108   1HB   ALA  17          1HB       ALA  17   6.771  -1.411 -10.308
  109   2HB   ALA  17          2HB       ALA  17   8.290  -2.301 -10.208
  110   3HB   ALA  17          3HB       ALA  17   8.079  -0.810  -9.290
  111    H    GLY  18           H        GLY  18   5.251  -4.324  -8.482
  112   1HA   GLY  18          1HA       GLY  18   5.519  -6.476  -9.713
  113   2HA   GLY  18          2HA       GLY  18   7.207  -6.469  -9.207
  114    H    TRP  19           H        TRP  19   5.470  -5.290  -6.641
  115    HA   TRP  19           HA       TRP  19   5.202  -8.034  -5.451
  116   1HB   TRP  19          1HB       TRP  19   6.348  -5.426  -4.507
  117   2HB   TRP  19          2HB       TRP  19   5.676  -6.538  -3.318
  118    HD1  TRP  19           HD1      TRP  19   8.642  -5.998  -5.543
  119    HE1  TRP  19           HE1      TRP  19  10.328  -7.923  -5.236
  120    HE3  TRP  19           HE3      TRP  19   5.804  -9.224  -2.781
  121    HZ2  TRP  19           HZ2      TRP  19  10.456 -10.493  -3.986
  122    HZ3  TRP  19           HZ3      TRP  19   6.733 -11.402  -2.048
  123    HH2  TRP  19           HH2      TRP  19   9.052 -12.039  -2.646
  124    H    MET  20           H        MET  20   3.295  -8.425  -4.289
  125    HA   MET  20           HA       MET  20   1.267  -6.217  -4.252
  126   1HB   MET  20          1HB       MET  20   0.833  -9.209  -4.480
  127   2HB   MET  20          2HB       MET  20  -0.374  -7.948  -4.710
  128   1HG   MET  20          1HG       MET  20   1.903  -7.454  -6.415
  129   2HG   MET  20          2HG       MET  20   1.295  -9.088  -6.678
  130   1HE   MET  20          1HE       MET  20  -0.442  -5.372  -6.031
  131   2HE   MET  20          2HE       MET  20  -0.394  -5.096  -7.770
  132   3HE   MET  20          3HE       MET  20   1.081  -5.538  -6.914
  133    H    ARG  21           H        ARG  21  -0.418  -6.577  -2.511
  134    HA   ARG  21           HA       ARG  21   0.805  -7.816  -0.066
  135   1HB   ARG  21          1HB       ARG  21   0.759  -5.355  -0.035
  136   2HB   ARG  21          2HB       ARG  21  -0.967  -5.372  -0.400
  137   1HG   ARG  21          1HG       ARG  21  -1.374  -6.627   1.712
  138   2HG   ARG  21          2HG       ARG  21   0.345  -6.504   2.088
  139   1HD   ARG  21          1HD       ARG  21   0.237  -4.185   2.443
  140   2HD   ARG  21          2HD       ARG  21  -1.241  -4.012   1.476
  141    HE   ARG  21           HE       ARG  21  -1.621  -5.764   3.766
  142   1HH1  ARG  21          1HH1      ARG  21  -1.301  -2.470   2.800
  143   2HH1  ARG  21          2HH1      ARG  21  -2.423  -1.877   3.979
  144   1HH2  ARG  21          1HH2      ARG  21  -3.169  -5.019   5.242
  145   2HH2  ARG  21          2HH2      ARG  21  -3.477  -3.319   5.363
  146    H    VAL  22           H        VAL  22  -0.329  -9.763   0.055
  147    HA   VAL  22           HA       VAL  22  -3.300  -9.662  -0.296
  148    HB   VAL  22           HB       VAL  22  -1.443 -12.048  -0.194
  149   1HG1  VAL  22          1HG1      VAL  22  -3.522 -12.995  -0.086
  150   2HG1  VAL  22          2HG1      VAL  22  -3.492 -12.718  -1.827
  151   3HG1  VAL  22          3HG1      VAL  22  -4.316 -11.575  -0.767
  152   1HG2  VAL  22          1HG2      VAL  22  -1.708  -9.990  -2.220
  153   2HG2  VAL  22          2HG2      VAL  22  -2.234 -11.550  -2.854
  154   3HG2  VAL  22          3HG2      VAL  22  -0.613 -11.373  -2.183
  155    H    GLN  23           H        GLN  23  -4.538 -11.069   1.225
  156    HA   GLN  23           HA       GLN  23  -3.273 -11.150   3.945
  157   1HB   GLN  23          1HB       GLN  23  -5.371  -9.607   3.041
  158   2HB   GLN  23          2HB       GLN  23  -6.211 -10.992   3.740
  159   1HG   GLN  23          1HG       GLN  23  -5.510 -10.518   5.873
  160   2HG   GLN  23          2HG       GLN  23  -3.970  -9.851   5.331
  161   1HE2  GLN  23          1HE2      GLN  23  -4.119  -7.798   6.391
  162   2HE2  GLN  23          2HE2      GLN  23  -5.316  -6.655   6.020
  163    H    ASP  24           H        ASP  24  -2.713 -13.379   3.899
  164    HA   ASP  24           HA       ASP  24  -4.851 -15.343   3.243
  165   1HB   ASP  24          1HB       ASP  24  -2.032 -15.134   2.930
  166   2HB   ASP  24          2HB       ASP  24  -2.348 -16.501   3.995
  167    H    THR  25           H        THR  25  -4.886 -17.307   4.790
  168    HA   THR  25           HA       THR  25  -5.763 -16.627   7.356
  169    HB   THR  25           HB       THR  25  -4.986 -19.105   7.798
  170    HG1  THR  25           HG1      THR  25  -4.215 -20.132   6.079
  171   1HG2  THR  25          1HG2      THR  25  -6.748 -19.142   5.453
  172   2HG2  THR  25          2HG2      THR  25  -7.218 -17.946   6.660
  173   3HG2  THR  25          3HG2      THR  25  -7.074 -19.645   7.111
  174    H    SER  26           H        SER  26  -2.540 -18.040   6.634
  175    HA   SER  26           HA       SER  26  -1.345 -17.791   9.138
  176   1HB   SER  26          1HB       SER  26   0.530 -18.321   7.941
  177   2HB   SER  26          2HB       SER  26  -0.597 -18.464   6.594
  178    HG   SER  26           HG       SER  26  -0.154 -16.292   6.087
  179    H    GLY  27           H        GLY  27  -1.970 -15.252   6.767
  180   1HA   GLY  27          1HA       GLY  27  -2.257 -13.048   8.256
  181   2HA   GLY  27          2HA       GLY  27  -0.512 -13.263   8.405
  182    H    THR  28           H        THR  28  -0.961 -10.977   7.269
  183    HA   THR  28           HA       THR  28  -1.467 -11.103   4.391
  184    HB   THR  28           HB       THR  28  -0.181  -8.863   5.964
  185    HG1  THR  28           HG1      THR  28  -1.980  -8.572   6.994
  186   1HG2  THR  28          1HG2      THR  28  -0.602  -8.890   3.386
  187   2HG2  THR  28          2HG2      THR  28  -1.067  -7.463   4.312
  188   3HG2  THR  28          3HG2      THR  28  -2.289  -8.641   3.834
  189    H    TYR  29           H        TYR  29   0.063 -11.753   2.935
  190    HA   TYR  29           HA       TYR  29   2.948 -11.474   3.711
  191   1HB   TYR  29          1HB       TYR  29   3.310 -13.436   2.311
  192   2HB   TYR  29          2HB       TYR  29   1.998 -13.777   3.434
  193    HD1  TYR  29           HD1      TYR  29   2.866 -13.045  -0.072
  194    HD2  TYR  29           HD2      TYR  29  -0.309 -13.972   2.669
  195    HE1  TYR  29           HE1      TYR  29   1.361 -13.533  -1.981
  196    HE2  TYR  29           HE2      TYR  29  -1.814 -14.459   0.760
  197    HH   TYR  29           HH       TYR  29  -0.862 -15.114  -2.209
  198    H    TYR  30           H        TYR  30   3.990 -11.959   1.144
  199    HA   TYR  30           HA       TYR  30   2.962  -9.639  -0.457
  200   1HB   TYR  30          1HB       TYR  30   5.749 -10.388   0.442
  201   2HB   TYR  30          2HB       TYR  30   5.488  -9.315  -0.934
  202    HD1  TYR  30           HD1      TYR  30   5.229  -9.683   2.709
  203    HD2  TYR  30           HD2      TYR  30   4.405  -7.119  -0.637
  204    HE1  TYR  30           HE1      TYR  30   4.855  -7.781   4.257
  205    HE2  TYR  30           HE2      TYR  30   4.030  -5.219   0.912
  206    HH   TYR  30           HH       TYR  30   3.262  -5.203   3.646
  207    H    TRP  31           H        TRP  31   2.331 -10.416  -2.428
  208    HA   TRP  31           HA       TRP  31   3.374 -12.992  -3.433
  209   1HB   TRP  31          1HB       TRP  31   1.026 -12.652  -3.622
  210   2HB   TRP  31          2HB       TRP  31   1.234 -11.010  -4.220
  211    HD1  TRP  31           HD1      TRP  31   3.128 -14.083  -5.534
  212    HE1  TRP  31           HE1      TRP  31   2.556 -14.385  -8.030
  213    HE3  TRP  31           HE3      TRP  31  -0.438 -10.467  -6.066
  214    HZ2  TRP  31           HZ2      TRP  31   0.815 -13.245  -9.993
  215    HZ3  TRP  31           HZ3      TRP  31  -1.536 -10.096  -8.257
  216    HH2  TRP  31           HH2      TRP  31  -0.914 -11.479 -10.219
  217    H    HIS  32           H        HIS  32   4.736 -13.174  -5.241
  218    HA   HIS  32           HA       HIS  32   5.938 -10.627  -6.209
  219   1HB   HIS  32          1HB       HIS  32   7.148 -12.693  -5.177
  220   2HB   HIS  32          2HB       HIS  32   6.921 -13.422  -6.765
  221    HD1  HIS  32           HD1      HIS  32   7.508  -9.731  -6.525
  222    HD2  HIS  32           HD2      HIS  32   9.734 -13.170  -7.299
  223    HE1  HIS  32           HE1      HIS  32   9.739  -8.952  -7.432
  224    H    ILE  33           H        ILE  33   4.744  -9.896  -7.911
  225    HA   ILE  33           HA       ILE  33   3.198 -11.394  -9.738
  226    HB   ILE  33           HB       ILE  33   4.597  -8.719 -10.020
  227   1HG1  ILE  33          1HG1      ILE  33   1.945  -9.576  -8.830
  228   2HG1  ILE  33          2HG1      ILE  33   3.265  -8.732  -8.019
  229   1HG2  ILE  33          1HG2      ILE  33   3.502  -8.447 -11.976
  230   2HG2  ILE  33          2HG2      ILE  33   1.987  -9.017 -11.276
  231   3HG2  ILE  33          3HG2      ILE  33   3.149 -10.174 -11.927
  232   1HD1  ILE  33          1HD1      ILE  33   2.640  -7.144 -10.251
  233   2HD1  ILE  33          2HD1      ILE  33   2.257  -6.794  -8.565
  234   3HD1  ILE  33          3HD1      ILE  33   1.083  -7.633  -9.581
  235    HA   PRO  34           HA       PRO  34   6.921 -11.149 -12.753
  236   1HB   PRO  34          1HB       PRO  34   9.423 -10.989 -11.656
  237   2HB   PRO  34          2HB       PRO  34   8.475  -9.568 -12.137
  238   1HG   PRO  34          1HG       PRO  34   8.913 -10.725  -9.438
  239   2HG   PRO  34          2HG       PRO  34   8.784  -9.032  -9.935
  240   1HD   PRO  34          1HD       PRO  34   6.772 -10.432  -8.735
  241   2HD   PRO  34          2HD       PRO  34   6.504  -9.033  -9.794
  242    H    THR  35           H        THR  35   8.450 -12.533  -9.799
  243    HA   THR  35           HA       THR  35   8.963 -15.046 -11.243
  244    HB   THR  35           HB       THR  35   9.435 -14.855  -8.350
  245    HG1  THR  35           HG1      THR  35  11.316 -13.387  -9.198
  246   1HG2  THR  35          1HG2      THR  35  10.460 -16.610  -9.664
  247   2HG2  THR  35          2HG2      THR  35  11.728 -15.510  -9.123
  248   3HG2  THR  35          3HG2      THR  35  11.139 -15.426 -10.783
  249    H    GLY  36           H        GLY  36   6.913 -13.945  -8.548
  250   1HA   GLY  36          1HA       GLY  36   4.697 -14.955  -8.224
  251   2HA   GLY  36          2HA       GLY  36   5.343 -16.462  -8.872
  252    H    THR  37           H        THR  37   7.674 -15.157  -6.891
  253    HA   THR  37           HA       THR  37   7.310 -17.192  -4.855
  254    HB   THR  37           HB       THR  37   9.060 -14.774  -4.548
  255    HG1  THR  37           HG1      THR  37  10.398 -15.489  -6.132
  256   1HG2  THR  37          1HG2      THR  37   9.234 -16.502  -2.869
  257   2HG2  THR  37          2HG2      THR  37  10.678 -16.576  -3.878
  258   3HG2  THR  37          3HG2      THR  37   9.383 -17.750  -4.106
  259    H    THR  38           H        THR  38   6.922 -16.769  -2.575
  260    HA   THR  38           HA       THR  38   5.384 -14.242  -2.067
  261    HB   THR  38           HB       THR  38   4.259 -15.876  -0.335
  262    HG1  THR  38           HG1      THR  38   5.075 -17.742  -2.282
  263   1HG2  THR  38          1HG2      THR  38   3.629 -15.018  -2.891
  264   2HG2  THR  38          2HG2      THR  38   2.534 -15.860  -1.796
  265   3HG2  THR  38          3HG2      THR  38   3.443 -16.768  -3.003
  266    H    GLN  39           H        GLN  39   5.514 -13.490   0.213
  267    HA   GLN  39           HA       GLN  39   7.786 -14.600   1.791
  268   1HB   GLN  39          1HB       GLN  39   7.479 -11.703   0.934
  269   2HB   GLN  39          2HB       GLN  39   8.783 -12.354   1.929
  270   1HG   GLN  39          1HG       GLN  39   9.079 -14.018  -0.109
  271   2HG   GLN  39          2HG       GLN  39   8.270 -12.727  -0.999
  272   1HE2  GLN  39          1HE2      GLN  39  11.317 -13.781   0.013
  273   2HE2  GLN  39          2HE2      GLN  39  12.153 -12.310  -0.123
  274    H    TRP  40           H        TRP  40   7.622 -11.972   3.346
  275    HA   TRP  40           HA       TRP  40   4.943 -12.307   4.629
  276   1HB   TRP  40          1HB       TRP  40   6.730 -13.721   5.702
  277   2HB   TRP  40          2HB       TRP  40   7.616 -12.241   6.062
  278    HD1  TRP  40           HD1      TRP  40   7.036 -11.065   8.239
  279    HE1  TRP  40           HE1      TRP  40   5.138 -11.239   9.975
  280    HE3  TRP  40           HE3      TRP  40   3.957 -14.363   5.848
  281    HZ2  TRP  40           HZ2      TRP  40   2.642 -12.599  10.305
  282    HZ3  TRP  40           HZ3      TRP  40   1.828 -15.081   6.894
  283    HH2  TRP  40           HH2      TRP  40   1.167 -14.203   9.117
  284    H    GLU  41           H        GLU  41   8.007 -10.495   5.022
  285    HA   GLU  41           HA       GLU  41   6.507  -8.043   5.713
  286   1HB   GLU  41          1HB       GLU  41   9.491  -8.431   5.380
  287   2HB   GLU  41          2HB       GLU  41   8.660  -7.255   6.399
  288   1HG   GLU  41          1HG       GLU  41   7.654  -9.298   7.615
  289   2HG   GLU  41          2HG       GLU  41   8.909 -10.235   6.804
  290    HA   PRO  42           HA       PRO  42   6.815  -6.151   1.767
  291   1HB   PRO  42          1HB       PRO  42   7.481  -3.569   2.391
  292   2HB   PRO  42          2HB       PRO  42   5.868  -4.249   2.682
  293   1HG   PRO  42          1HG       PRO  42   8.116  -3.828   4.588
  294   2HG   PRO  42          2HG       PRO  42   6.377  -3.600   4.826
  295   1HD   PRO  42          1HD       PRO  42   7.736  -5.775   5.738
  296   2HD   PRO  42          2HD       PRO  42   6.016  -5.815   5.292
  297    HA   PRO  43           HA       PRO  43  11.232  -6.573   1.091
  298   1HB   PRO  43          1HB       PRO  43  11.054  -6.865  -1.625
  299   2HB   PRO  43          2HB       PRO  43  10.720  -8.186  -0.487
  300   1HG   PRO  43          1HG       PRO  43   8.823  -6.432  -1.959
  301   2HG   PRO  43          2HG       PRO  43   8.706  -8.157  -1.583
  302   1HD   PRO  43          1HD       PRO  43   7.369  -6.209  -0.209
  303   2HD   PRO  43          2HD       PRO  43   7.825  -7.778   0.491
  304    H    GLY  44           H        GLY  44  12.731  -4.963   0.644
  305   1HA   GLY  44          1HA       GLY  44  11.880  -2.690  -1.087
  306   2HA   GLY  44          2HA       GLY  44  12.535  -2.359   0.517
  307    H    ARG  45           H        ARG  45  14.566  -1.556   0.185
  308    HA   ARG  45           HA       ARG  45  16.270  -2.689  -1.964
  309   1HB   ARG  45          1HB       ARG  45  15.822  -0.171  -0.890
  310   2HB   ARG  45          2HB       ARG  45  17.373  -0.630  -0.185
  311   1HG   ARG  45          1HG       ARG  45  17.053  -1.228  -3.071
  312   2HG   ARG  45          2HG       ARG  45  17.131   0.484  -2.649
  313   1HD   ARG  45          1HD       ARG  45  19.380   0.286  -2.470
  314   2HD   ARG  45          2HD       ARG  45  19.140  -0.839  -1.117
  315    HE   ARG  45           HE       ARG  45  18.999  -2.675  -2.805
  316   1HH1  ARG  45          1HH1      ARG  45  21.617  -0.896  -2.968
  317   2HH1  ARG  45          2HH1      ARG  45  21.863  -0.932  -4.682
  318   1HH2  ARG  45          1HH2      ARG  45  18.699  -2.170  -5.375
  319   2HH2  ARG  45          2HH2      ARG  45  20.210  -1.653  -6.045
  320    H    ALA  46           H        ALA  46  15.778  -3.004   1.434
  321    HA   ALA  46           HA       ALA  46  17.857  -5.018   1.675
  322   1HB   ALA  46          1HB       ALA  46  18.253  -2.340   3.049
  323   2HB   ALA  46          2HB       ALA  46  19.152  -2.881   1.632
  324   3HB   ALA  46          3HB       ALA  46  19.324  -3.736   3.164
  325    H    SER  47           H        SER  47  16.310  -6.319   2.719
  326    HA   SER  47           HA       SER  47  14.407  -5.504   4.654
  327   1HB   SER  47          1HB       SER  47  14.094  -7.817   4.921
  328   2HB   SER  47          2HB       SER  47  14.843  -7.730   3.330
  329    HG   SER  47           HG       SER  47  15.895  -8.568   5.784
  330    HA   PRO  48           HA       PRO  48  16.945  -4.689   8.165
  331   1HB   PRO  48          1HB       PRO  48  15.030  -4.904  10.107
  332   2HB   PRO  48          2HB       PRO  48  15.139  -3.513   9.010
  333   1HG   PRO  48          1HG       PRO  48  13.307  -5.852   8.922
  334   2HG   PRO  48          2HG       PRO  48  12.994  -4.155   8.526
  335   1HD   PRO  48          1HD       PRO  48  13.419  -6.109   6.655
  336   2HD   PRO  48          2HD       PRO  48  13.747  -4.384   6.383
  337    H    SER  49           H        SER  49  17.924  -5.857   9.931
  338    HA   SER  49           HA       SER  49  17.044  -8.699  10.269
  339   1HB   SER  49          1HB       SER  49  19.425  -9.343  10.082
  340   2HB   SER  49          2HB       SER  49  18.886  -8.515   8.623
  341    HG   SER  49           HG       SER  49  20.955  -7.859   9.795
  342    H    GLN  50           H        GLN  50  17.640  -9.601  12.344
  343    HA   GLN  50           HA       GLN  50  19.183  -8.207  14.326
  344   1HB   GLN  50          1HB       GLN  50  17.162  -7.480  15.698
  345   2HB   GLN  50          2HB       GLN  50  17.428  -6.561  14.216
  346   1HG   GLN  50          1HG       GLN  50  15.328  -7.085  13.596
  347   2HG   GLN  50          2HG       GLN  50  15.850  -8.764  13.455
  348   1HE2  GLN  50          1HE2      GLN  50  14.787  -6.437  16.008
  349   2HE2  GLN  50          2HE2      GLN  50  13.946  -7.598  16.917
  Start of MODEL   24
    1    H    ASP   1           H        ASP   1 -15.402  -4.691  -4.091
    2    HA   ASP   1           HA       ASP   1 -17.797  -5.257  -3.714
    3   1HB   ASP   1          1HB       ASP   1 -15.486  -5.123  -1.998
    4   2HB   ASP   1          2HB       ASP   1 -16.944  -4.952  -1.019
    5    H    SER   2           H        SER   2 -18.855  -4.640  -1.134
    6    HA   SER   2           HA       SER   2 -20.597  -2.484  -1.659
    7   1HB   SER   2          1HB       SER   2 -19.805  -4.216   0.566
    8   2HB   SER   2          2HB       SER   2 -20.352  -2.632   1.108
    9    HG   SER   2           HG       SER   2 -22.115  -3.111  -0.562
   10    H    PHE   3           H        PHE   3 -19.808  -0.447  -2.136
   11    HA   PHE   3           HA       PHE   3 -17.396   0.729  -1.275
   12   1HB   PHE   3          1HB       PHE   3 -18.665   1.671  -3.068
   13   2HB   PHE   3          2HB       PHE   3 -20.105   1.824  -2.060
   14    HD1  PHE   3           HD1      PHE   3 -16.512   2.754  -1.507
   15    HD2  PHE   3           HD2      PHE   3 -20.590   4.084  -1.736
   16    HE1  PHE   3           HE1      PHE   3 -15.807   5.036  -0.839
   17    HE2  PHE   3           HE2      PHE   3 -19.884   6.365  -1.068
   18    HZ   PHE   3           HZ       PHE   3 -17.493   6.841  -0.619
   19    H    TRP   4           H        TRP   4 -20.490   0.464   0.390
   20    HA   TRP   4           HA       TRP   4 -20.018   2.442   2.415
   21   1HB   TRP   4          1HB       TRP   4 -21.914   0.335   1.721
   22   2HB   TRP   4          2HB       TRP   4 -21.685   0.463   3.465
   23    HD1  TRP   4           HD1      TRP   4 -23.759   1.842   0.868
   24    HE1  TRP   4           HE1      TRP   4 -24.748   4.128   1.535
   25    HE3  TRP   4           HE3      TRP   4 -20.780   2.959   4.862
   26    HZ2  TRP   4           HZ2      TRP   4 -24.328   6.162   3.503
   27    HZ3  TRP   4           HZ3      TRP   4 -21.095   5.074   6.113
   28    HH2  TRP   4           HH2      TRP   4 -22.863   6.676   5.440
   29    H    ASN   5           H        ASN   5 -17.905   2.125   3.305
   30    HA   ASN   5           HA       ASN   5 -17.681   0.368   5.543
   31   1HB   ASN   5          1HB       ASN   5 -17.509  -0.971   3.142
   32   2HB   ASN   5          2HB       ASN   5 -15.811  -0.671   3.514
   33   1HD2  ASN   5          1HD2      ASN   5 -16.486  -3.307   3.625
   34   2HD2  ASN   5          2HD2      ASN   5 -16.654  -3.841   5.228
   35    HA   PRO   6           HA       PRO   6 -14.555   3.665   5.404
   36   1HB   PRO   6          1HB       PRO   6 -14.610   4.141   8.097
   37   2HB   PRO   6          2HB       PRO   6 -15.783   4.847   6.967
   38   1HG   PRO   6          1HG       PRO   6 -16.081   2.526   8.800
   39   2HG   PRO   6          2HG       PRO   6 -17.256   3.772   8.354
   40   1HD   PRO   6          1HD       PRO   6 -17.239   1.240   7.312
   41   2HD   PRO   6          2HD       PRO   6 -17.922   2.653   6.480
   42    H    ASN   7           H        ASN   7 -14.795   0.775   7.394
   43    HA   ASN   7           HA       ASN   7 -11.803   0.752   7.652
   44   1HB   ASN   7          1HB       ASN   7 -14.064   0.228   9.490
   45   2HB   ASN   7          2HB       ASN   7 -12.739  -0.932   9.591
   46   1HD2  ASN   7          1HD2      ASN   7 -11.902  -0.143  11.625
   47   2HD2  ASN   7          2HD2      ASN   7 -11.187   1.390  11.774
   48    H    ALA   8           H        ALA   8 -12.342  -0.270   5.331
   49    HA   ALA   8           HA       ALA   8 -12.864  -3.203   5.665
   50   1HB   ALA   8          1HB       ALA   8 -12.851  -1.751   3.038
   51   2HB   ALA   8          2HB       ALA   8 -14.207  -1.502   4.138
   52   3HB   ALA   8          3HB       ALA   8 -13.837  -3.121   3.546
   53    H    PHE   9           H        PHE   9 -11.420  -4.668   4.539
   54    HA   PHE   9           HA       PHE   9  -8.682  -4.278   4.740
   55   1HB   PHE   9          1HB       PHE   9  -9.726  -6.426   4.275
   56   2HB   PHE   9          2HB       PHE   9 -10.281  -5.854   2.700
   57    HD1  PHE   9           HD1      PHE   9  -6.979  -5.234   4.312
   58    HD2  PHE   9           HD2      PHE   9  -9.114  -7.276   1.193
   59    HE1  PHE   9           HE1      PHE   9  -4.828  -5.932   3.297
   60    HE2  PHE   9           HE2      PHE   9  -6.961  -7.974   0.177
   61    HZ   PHE   9           HZ       PHE   9  -4.818  -7.302   1.230
   62    H    GLU  10           H        GLU  10  -7.957  -2.217   4.011
   63    HA   GLU  10           HA       GLU  10  -8.583  -1.100   1.431
   64   1HB   GLU  10          1HB       GLU  10  -6.761   0.445   2.034
   65   2HB   GLU  10          2HB       GLU  10  -7.794   0.144   3.429
   66   1HG   GLU  10          1HG       GLU  10  -6.167  -1.678   4.113
   67   2HG   GLU  10          2HG       GLU  10  -5.090  -1.084   2.848
   68    H    THR  11           H        THR  11  -6.030  -0.428   0.436
   69    HA   THR  11           HA       THR  11  -5.222  -3.032  -0.774
   70    HB   THR  11           HB       THR  11  -4.214  -0.375  -1.699
   71    HG1  THR  11           HG1      THR  11  -6.895  -1.198  -1.628
   72   1HG2  THR  11          1HG2      THR  11  -4.074  -1.437  -3.722
   73   2HG2  THR  11          2HG2      THR  11  -5.560  -2.351  -3.462
   74   3HG2  THR  11          3HG2      THR  11  -4.059  -2.874  -2.700
   75    H    ASP  12           H        ASP  12  -2.646  -2.288  -1.615
   76    HA   ASP  12           HA       ASP  12  -1.028  -2.943   0.636
   77   1HB   ASP  12          1HB       ASP  12   0.802  -2.449  -0.922
   78   2HB   ASP  12          2HB       ASP  12  -0.497  -3.277  -1.780
   79    H    SER  13           H        SER  13   1.027  -1.286   0.959
   80    HA   SER  13           HA       SER  13  -0.181   1.346   1.737
   81   1HB   SER  13          1HB       SER  13   1.874   1.032   3.450
   82   2HB   SER  13          2HB       SER  13   0.273   0.373   3.773
   83    HG   SER  13           HG       SER  13   2.215  -1.077   3.886
   84    H    ASP  14           H        ASP  14   2.844  -0.287   0.795
   85    HA   ASP  14           HA       ASP  14   3.621   1.829  -1.011
   86   1HB   ASP  14          1HB       ASP  14   5.565   2.588   0.469
   87   2HB   ASP  14          2HB       ASP  14   3.961   3.101   0.992
   88    H    LEU  15           H        LEU  15   3.668  -0.668  -1.773
   89    HA   LEU  15           HA       LEU  15   6.256  -1.970  -1.122
   90   1HB   LEU  15          1HB       LEU  15   3.738  -2.677  -2.635
   91   2HB   LEU  15          2HB       LEU  15   5.182  -3.674  -2.777
   92    HG   LEU  15           HG       LEU  15   3.796  -4.587  -1.008
   93   1HD1  LEU  15          1HD1      LEU  15   5.419  -4.693   0.709
   94   2HD1  LEU  15          2HD1      LEU  15   5.972  -3.047   0.407
   95   3HD1  LEU  15          3HD1      LEU  15   6.357  -4.330  -0.739
   96   1HD2  LEU  15          1HD2      LEU  15   2.886  -3.320   0.746
   97   2HD2  LEU  15          2HD2      LEU  15   2.738  -2.220  -0.625
   98   3HD2  LEU  15          3HD2      LEU  15   4.051  -2.013   0.534
   99    HA   PRO  16           HA       PRO  16   8.307  -0.703  -4.794
  100   1HB   PRO  16          1HB       PRO  16   9.416  -3.030  -5.730
  101   2HB   PRO  16          2HB       PRO  16  10.029  -2.172  -4.301
  102   1HG   PRO  16          1HG       PRO  16   8.235  -4.549  -4.454
  103   2HG   PRO  16          2HG       PRO  16   9.586  -4.228  -3.356
  104   1HD   PRO  16          1HD       PRO  16   7.007  -3.919  -2.611
  105   2HD   PRO  16          2HD       PRO  16   8.315  -2.901  -1.966
  106    H    ALA  17           H        ALA  17   8.657  -2.087  -7.230
  107    HA   ALA  17           HA       ALA  17   5.851  -2.096  -8.226
  108   1HB   ALA  17          1HB       ALA  17   8.034  -2.296 -10.169
  109   2HB   ALA  17          2HB       ALA  17   8.239  -0.938  -9.063
  110   3HB   ALA  17          3HB       ALA  17   6.771  -1.072 -10.031
  111    H    GLY  18           H        GLY  18   4.915  -4.067  -8.442
  112   1HA   GLY  18          1HA       GLY  18   4.901  -6.170  -9.744
  113   2HA   GLY  18          2HA       GLY  18   6.619  -6.335  -9.383
  114    H    TRP  19           H        TRP  19   5.651  -5.237  -6.545
  115    HA   TRP  19           HA       TRP  19   5.197  -7.996  -5.491
  116   1HB   TRP  19          1HB       TRP  19   6.314  -5.401  -4.503
  117   2HB   TRP  19          2HB       TRP  19   5.623  -6.503  -3.311
  118    HD1  TRP  19           HD1      TRP  19   8.608  -6.005  -5.531
  119    HE1  TRP  19           HE1      TRP  19  10.280  -7.935  -5.194
  120    HE3  TRP  19           HE3      TRP  19   5.738  -9.188  -2.746
  121    HZ2  TRP  19           HZ2      TRP  19  10.389 -10.491  -3.919
  122    HZ3  TRP  19           HZ3      TRP  19   6.654 -11.365  -1.989
  123    HH2  TRP  19           HH2      TRP  19   8.972 -12.017  -2.570
  124    H    MET  20           H        MET  20   3.302  -8.523  -4.389
  125    HA   MET  20           HA       MET  20   1.192  -6.392  -4.283
  126   1HB   MET  20          1HB       MET  20   0.878  -9.398  -4.486
  127   2HB   MET  20          2HB       MET  20  -0.372  -8.185  -4.738
  128   1HG   MET  20          1HG       MET  20   2.132  -8.200  -6.417
  129   2HG   MET  20          2HG       MET  20   0.750  -9.212  -6.834
  130   1HE   MET  20          1HE       MET  20  -1.639  -7.430  -8.457
  131   2HE   MET  20          2HE       MET  20  -2.081  -7.379  -6.752
  132   3HE   MET  20          3HE       MET  20  -1.204  -8.769  -7.387
  133    H    ARG  21           H        ARG  21  -0.445  -6.761  -2.542
  134    HA   ARG  21           HA       ARG  21   0.780  -7.979  -0.088
  135   1HB   ARG  21          1HB       ARG  21   0.618  -5.441  -0.265
  136   2HB   ARG  21          2HB       ARG  21  -1.136  -5.633  -0.261
  137   1HG   ARG  21          1HG       ARG  21  -1.099  -6.644   1.922
  138   2HG   ARG  21          2HG       ARG  21   0.661  -6.761   1.900
  139   1HD   ARG  21          1HD       ARG  21   0.473  -4.116   1.540
  140   2HD   ARG  21          2HD       ARG  21  -1.067  -4.369   2.387
  141    HE   ARG  21           HE       ARG  21   1.138  -5.797   3.642
  142   1HH1  ARG  21          1HH1      ARG  21   0.207  -2.566   3.091
  143   2HH1  ARG  21          2HH1      ARG  21   0.370  -2.078   4.744
  144   1HH2  ARG  21          1HH2      ARG  21   1.047  -5.277   5.898
  145   2HH2  ARG  21          2HH2      ARG  21   0.844  -3.614   6.334
  146    H    VAL  22           H        VAL  22  -0.370  -9.864   0.281
  147    HA   VAL  22           HA       VAL  22  -3.320  -9.829  -0.253
  148    HB   VAL  22           HB       VAL  22  -1.483 -12.207   0.070
  149   1HG1  VAL  22          1HG1      VAL  22  -3.308 -13.138  -1.523
  150   2HG1  VAL  22          2HG1      VAL  22  -4.249 -11.731  -1.026
  151   3HG1  VAL  22          3HG1      VAL  22  -3.729 -12.912   0.175
  152   1HG2  VAL  22          1HG2      VAL  22  -2.188 -10.675  -2.455
  153   2HG2  VAL  22          2HG2      VAL  22  -1.344 -12.223  -2.415
  154   3HG2  VAL  22          3HG2      VAL  22  -0.588 -10.788  -1.722
  155    H    GLN  23           H        GLN  23  -4.628 -11.153   1.271
  156    HA   GLN  23           HA       GLN  23  -3.502 -11.125   4.053
  157   1HB   GLN  23          1HB       GLN  23  -5.213  -9.385   3.545
  158   2HB   GLN  23          2HB       GLN  23  -6.343 -10.659   3.087
  159   1HG   GLN  23          1HG       GLN  23  -6.258 -11.598   5.342
  160   2HG   GLN  23          2HG       GLN  23  -5.047 -10.406   5.817
  161   1HE2  GLN  23          1HE2      GLN  23  -5.755  -8.178   6.125
  162   2HE2  GLN  23          2HE2      GLN  23  -7.400  -7.778   6.233
  163    H    ASP  24           H        ASP  24  -2.890 -13.391   3.880
  164    HA   ASP  24           HA       ASP  24  -4.977 -15.372   3.225
  165   1HB   ASP  24          1HB       ASP  24  -2.142 -15.163   3.211
  166   2HB   ASP  24          2HB       ASP  24  -2.572 -16.490   4.286
  167    H    THR  25           H        THR  25  -4.909 -17.365   4.861
  168    HA   THR  25           HA       THR  25  -6.115 -16.530   7.315
  169    HB   THR  25           HB       THR  25  -5.755 -19.009   7.844
  170    HG1  THR  25           HG1      THR  25  -4.614 -20.176   6.479
  171   1HG2  THR  25          1HG2      THR  25  -7.720 -18.028   6.580
  172   2HG2  THR  25          2HG2      THR  25  -7.370 -19.717   6.214
  173   3HG2  THR  25          3HG2      THR  25  -6.876 -18.451   5.090
  174    H    SER  26           H        SER  26  -2.781 -17.412   6.494
  175    HA   SER  26           HA       SER  26  -1.833 -17.549   9.233
  176   1HB   SER  26          1HB       SER  26  -0.850 -17.778   6.496
  177   2HB   SER  26          2HB       SER  26   0.305 -16.944   7.533
  178    HG   SER  26           HG       SER  26   0.402 -19.321   7.483
  179    H    GLY  27           H        GLY  27  -2.435 -14.959   6.982
  180   1HA   GLY  27          1HA       GLY  27  -2.540 -12.781   8.503
  181   2HA   GLY  27          2HA       GLY  27  -0.799 -13.059   8.568
  182    H    THR  28           H        THR  28  -1.167 -10.749   7.501
  183    HA   THR  28           HA       THR  28  -1.761 -10.855   4.617
  184    HB   THR  28           HB       THR  28  -0.605  -8.592   6.264
  185    HG1  THR  28           HG1      THR  28  -3.307  -9.387   5.937
  186   1HG2  THR  28          1HG2      THR  28  -0.675  -8.257   3.830
  187   2HG2  THR  28          2HG2      THR  28  -1.850  -7.213   4.631
  188   3HG2  THR  28          3HG2      THR  28  -2.387  -8.682   3.813
  189    H    TYR  29           H        TYR  29  -0.178 -11.667   3.286
  190    HA   TYR  29           HA       TYR  29   2.675 -11.042   3.968
  191   1HB   TYR  29          1HB       TYR  29   3.197 -13.122   2.833
  192   2HB   TYR  29          2HB       TYR  29   1.889 -13.437   3.969
  193    HD1  TYR  29           HD1      TYR  29  -0.469 -13.616   3.149
  194    HD2  TYR  29           HD2      TYR  29   2.873 -13.323   0.467
  195    HE1  TYR  29           HE1      TYR  29  -1.890 -14.434   1.289
  196    HE2  TYR  29           HE2      TYR  29   1.452 -14.138  -1.394
  197    HH   TYR  29           HH       TYR  29  -1.124 -15.752  -1.164
  198    H    TYR  30           H        TYR  30   3.604 -11.843   1.340
  199    HA   TYR  30           HA       TYR  30   2.397  -9.722  -0.403
  200   1HB   TYR  30          1HB       TYR  30   5.332 -10.273   0.145
  201   2HB   TYR  30          2HB       TYR  30   4.710  -9.041  -0.953
  202    HD1  TYR  30           HD1      TYR  30   4.644 -10.153   2.613
  203    HD2  TYR  30           HD2      TYR  30   4.065  -6.915  -0.149
  204    HE1  TYR  30           HE1      TYR  30   4.407  -8.576   4.513
  205    HE2  TYR  30           HE2      TYR  30   3.829  -5.338   1.751
  206    HH   TYR  30           HH       TYR  30   3.033  -5.810   4.442
  207    H    TRP  31           H        TRP  31   2.423 -10.216  -2.627
  208    HA   TRP  31           HA       TRP  31   3.341 -12.984  -3.333
  209   1HB   TRP  31          1HB       TRP  31   0.980 -12.859  -3.485
  210   2HB   TRP  31          2HB       TRP  31   1.026 -11.232  -4.156
  211    HD1  TRP  31           HD1      TRP  31   3.370 -13.873  -5.536
  212    HE1  TRP  31           HE1      TRP  31   2.666 -14.451  -7.948
  213    HE3  TRP  31           HE3      TRP  31  -1.059 -11.347  -5.789
  214    HZ2  TRP  31           HZ2      TRP  31   0.507 -13.911  -9.747
  215    HZ3  TRP  31           HZ3      TRP  31  -2.418 -11.395  -7.860
  216    HH2  TRP  31           HH2      TRP  31  -1.642 -12.673  -9.838
  217    H    HIS  32           H        HIS  32   5.137 -12.928  -4.621
  218    HA   HIS  32           HA       HIS  32   5.946 -10.500  -6.035
  219   1HB   HIS  32          1HB       HIS  32   7.229 -12.565  -4.870
  220   2HB   HIS  32          2HB       HIS  32   7.232 -13.139  -6.538
  221    HD1  HIS  32           HD1      HIS  32   9.950 -12.509  -5.667
  222    HD2  HIS  32           HD2      HIS  32   7.422  -9.475  -7.001
  223    HE1  HIS  32           HE1      HIS  32  11.443 -10.582  -6.354
  224    H    ILE  33           H        ILE  33   4.844 -10.003  -7.863
  225    HA   ILE  33           HA       ILE  33   3.462 -11.865  -9.556
  226    HB   ILE  33           HB       ILE  33   4.422  -9.028 -10.045
  227   1HG1  ILE  33          1HG1      ILE  33   1.888 -10.115  -8.767
  228   2HG1  ILE  33          2HG1      ILE  33   3.155  -9.195  -7.956
  229   1HG2  ILE  33          1HG2      ILE  33   2.103  -9.170 -11.350
  230   2HG2  ILE  33          2HG2      ILE  33   2.519 -10.883 -11.426
  231   3HG2  ILE  33          3HG2      ILE  33   3.609  -9.679 -12.114
  232   1HD1  ILE  33          1HD1      ILE  33   0.886  -8.162  -9.275
  233   2HD1  ILE  33          2HD1      ILE  33   2.262  -7.776 -10.308
  234   3HD1  ILE  33          3HD1      ILE  33   2.247  -7.249  -8.624
  235    HA   PRO  34           HA       PRO  34   7.169 -11.168 -12.527
  236   1HB   PRO  34          1HB       PRO  34   9.570 -10.483 -11.414
  237   2HB   PRO  34          2HB       PRO  34   8.386  -9.293 -11.987
  238   1HG   PRO  34          1HG       PRO  34   8.992 -10.182  -9.223
  239   2HG   PRO  34          2HG       PRO  34   8.530  -8.583  -9.821
  240   1HD   PRO  34          1HD       PRO  34   6.833 -10.324  -8.551
  241   2HD   PRO  34          2HD       PRO  34   6.304  -9.027  -9.644
  242    H    THR  35           H        THR  35   8.568 -12.185  -9.365
  243    HA   THR  35           HA       THR  35   9.831 -14.515 -10.656
  244    HB   THR  35           HB       THR  35  10.786 -14.823  -8.424
  245    HG1  THR  35           HG1      THR  35   8.652 -13.153  -7.769
  246   1HG2  THR  35          1HG2      THR  35  10.808 -12.267  -9.846
  247   2HG2  THR  35          2HG2      THR  35  12.153 -13.191  -9.177
  248   3HG2  THR  35          3HG2      THR  35  11.231 -12.101  -8.142
  249    H    GLY  36           H        GLY  36   6.919 -13.798  -8.904
  250   1HA   GLY  36          1HA       GLY  36   5.032 -15.207  -8.628
  251   2HA   GLY  36          2HA       GLY  36   5.976 -16.543  -9.288
  252    H    THR  37           H        THR  37   8.042 -15.412  -7.106
  253    HA   THR  37           HA       THR  37   7.524 -17.501  -5.176
  254    HB   THR  37           HB       THR  37   9.273 -15.044  -4.926
  255    HG1  THR  37           HG1      THR  37   9.989 -17.537  -6.046
  256   1HG2  THR  37          1HG2      THR  37   9.343 -17.817  -3.733
  257   2HG2  THR  37          2HG2      THR  37   9.187 -16.280  -2.881
  258   3HG2  THR  37          3HG2      THR  37  10.710 -16.705  -3.665
  259    H    THR  38           H        THR  38   7.178 -17.055  -2.833
  260    HA   THR  38           HA       THR  38   5.455 -14.638  -2.394
  261    HB   THR  38           HB       THR  38   4.664 -16.549  -0.559
  262    HG1  THR  38           HG1      THR  38   4.688 -18.023  -2.883
  263   1HG2  THR  38          1HG2      THR  38   3.435 -16.537  -3.289
  264   2HG2  THR  38          2HG2      THR  38   3.446 -15.038  -2.360
  265   3HG2  THR  38          3HG2      THR  38   2.653 -16.473  -1.710
  266    H    GLN  39           H        GLN  39   5.706 -13.583  -0.370
  267    HA   GLN  39           HA       GLN  39   7.797 -14.632   1.482
  268   1HB   GLN  39          1HB       GLN  39   7.710 -11.905   0.149
  269   2HB   GLN  39          2HB       GLN  39   8.826 -12.343   1.444
  270   1HG   GLN  39          1HG       GLN  39   9.496 -14.330  -0.070
  271   2HG   GLN  39          2HG       GLN  39   8.691 -13.440  -1.363
  272   1HE2  GLN  39          1HE2      GLN  39  11.671 -14.005  -0.825
  273   2HE2  GLN  39          2HE2      GLN  39  12.398 -12.472  -0.892
  274    H    TRP  40           H        TRP  40   7.882 -12.630   3.312
  275    HA   TRP  40           HA       TRP  40   5.035 -11.977   3.979
  276   1HB   TRP  40          1HB       TRP  40   7.145 -13.400   5.613
  277   2HB   TRP  40          2HB       TRP  40   5.728 -12.660   6.359
  278    HD1  TRP  40           HD1      TRP  40   6.763 -15.503   4.037
  279    HE1  TRP  40           HE1      TRP  40   4.795 -17.155   3.813
  280    HE3  TRP  40           HE3      TRP  40   3.133 -12.886   6.497
  281    HZ2  TRP  40           HZ2      TRP  40   2.045 -17.339   4.578
  282    HZ3  TRP  40           HZ3      TRP  40   0.851 -13.822   6.735
  283    HH2  TRP  40           HH2      TRP  40   0.303 -16.043   5.779
  284    H    GLU  41           H        GLU  41   8.083 -10.792   3.452
  285    HA   GLU  41           HA       GLU  41   7.709  -8.558   5.422
  286   1HB   GLU  41          1HB       GLU  41  10.274  -9.522   4.126
  287   2HB   GLU  41          2HB       GLU  41  10.117  -8.428   5.501
  288   1HG   GLU  41          1HG       GLU  41   8.803 -10.452   6.573
  289   2HG   GLU  41          2HG       GLU  41   9.707 -11.397   5.389
  290    HA   PRO  42           HA       PRO  42   7.515  -5.787   2.026
  291   1HB   PRO  42          1HB       PRO  42   8.757  -3.581   3.066
  292   2HB   PRO  42          2HB       PRO  42   7.138  -4.105   3.570
  293   1HG   PRO  42          1HG       PRO  42   9.758  -4.492   4.924
  294   2HG   PRO  42          2HG       PRO  42   8.168  -4.141   5.619
  295   1HD   PRO  42          1HD       PRO  42   9.301  -6.626   5.611
  296   2HD   PRO  42          2HD       PRO  42   7.548  -6.341   5.640
  297    HA   PRO  43           HA       PRO  43  11.601  -6.621   0.311
  298   1HB   PRO  43          1HB       PRO  43  10.816  -6.365  -2.300
  299   2HB   PRO  43          2HB       PRO  43  10.550  -7.842  -1.350
  300   1HG   PRO  43          1HG       PRO  43   8.647  -5.651  -2.016
  301   2HG   PRO  43          2HG       PRO  43   8.374  -7.398  -1.936
  302   1HD   PRO  43          1HD       PRO  43   7.628  -5.670   0.034
  303   2HD   PRO  43          2HD       PRO  43   8.037  -7.375   0.328
  304    H    GLY  44           H        GLY  44  13.081  -4.970   0.270
  305   1HA   GLY  44          1HA       GLY  44  12.723  -2.662  -1.468
  306   2HA   GLY  44          2HA       GLY  44  12.596  -2.245   0.242
  307    H    ARG  45           H        ARG  45  14.688  -4.760  -1.113
  308    HA   ARG  45           HA       ARG  45  17.068  -3.059  -0.466
  309   1HB   ARG  45          1HB       ARG  45  16.077  -5.077   1.120
  310   2HB   ARG  45          2HB       ARG  45  17.267  -5.939   0.144
  311   1HG   ARG  45          1HG       ARG  45  17.818  -3.385   1.686
  312   2HG   ARG  45          2HG       ARG  45  18.263  -5.005   2.226
  313   1HD   ARG  45          1HD       ARG  45  19.285  -4.925  -0.353
  314   2HD   ARG  45          2HD       ARG  45  19.590  -3.286   0.253
  315    HE   ARG  45           HE       ARG  45  20.384  -4.693   2.392
  316   1HH1  ARG  45          1HH1      ARG  45  21.128  -4.833  -0.952
  317   2HH1  ARG  45          2HH1      ARG  45  22.500  -5.871  -0.749
  318   1HH2  ARG  45          1HH2      ARG  45  22.042  -6.249   2.668
  319   2HH2  ARG  45          2HH2      ARG  45  23.017  -6.672   1.301
  320    H    ALA  46           H        ALA  46  17.262  -2.827  -2.831
  321    HA   ALA  46           HA       ALA  46  18.068  -3.480  -4.958
  322   1HB   ALA  46          1HB       ALA  46  20.182  -4.021  -4.373
  323   2HB   ALA  46          2HB       ALA  46  19.658  -5.697  -4.211
  324   3HB   ALA  46          3HB       ALA  46  19.632  -4.627  -2.811
  325    H    SER  47           H        SER  47  18.422  -5.658  -6.335
  326    HA   SER  47           HA       SER  47  15.845  -7.010  -6.379
  327   1HB   SER  47          1HB       SER  47  18.044  -6.499  -8.088
  328   2HB   SER  47          2HB       SER  47  17.884  -8.250  -7.997
  329    HG   SER  47           HG       SER  47  16.562  -7.221  -9.626
  330    HA   PRO  48           HA       PRO  48  18.438 -10.815  -5.117
  331   1HB   PRO  48          1HB       PRO  48  21.065 -10.438  -4.452
  332   2HB   PRO  48          2HB       PRO  48  20.527 -10.760  -6.113
  333   1HG   PRO  48          1HG       PRO  48  21.306  -8.190  -4.841
  334   2HG   PRO  48          2HG       PRO  48  21.592  -8.767  -6.489
  335   1HD   PRO  48          1HD       PRO  48  19.640  -6.966  -5.806
  336   2HD   PRO  48          2HD       PRO  48  19.571  -8.019  -7.236
  337    H    SER  49           H        SER  49  17.741 -11.290  -3.064
  338    HA   SER  49           HA       SER  49  18.922  -9.820  -0.760
  339   1HB   SER  49          1HB       SER  49  16.373  -9.786   0.019
  340   2HB   SER  49          2HB       SER  49  17.023  -8.507  -1.003
  341    HG   SER  49           HG       SER  49  14.978  -9.735  -1.620
  342    H    GLN  50           H        GLN  50  19.755 -11.532   0.388
  343    HA   GLN  50           HA       GLN  50  17.940 -13.860   0.916
  344   1HB   GLN  50          1HB       GLN  50  20.720 -13.686  -0.166
  345   2HB   GLN  50          2HB       GLN  50  20.357 -15.028   0.921
  346   1HG   GLN  50          1HG       GLN  50  19.176 -16.096  -0.673
  347   2HG   GLN  50          2HG       GLN  50  18.224 -14.650  -1.015
  348   1HE2  GLN  50          1HE2      GLN  50  21.720 -15.474  -1.447
  349   2HE2  GLN  50          2HE2      GLN  50  21.776 -14.996  -3.074
  Start of MODEL   25
    1    H    ASP   1           H        ASP   1 -11.443   7.934  15.846
    2    HA   ASP   1           HA       ASP   1  -9.977   5.846  17.255
    3   1HB   ASP   1          1HB       ASP   1 -11.502   4.517  15.917
    4   2HB   ASP   1          2HB       ASP   1 -12.405   5.896  16.547
    5    H    SER   2           H        SER   2  -9.557   4.098  15.160
    6    HA   SER   2           HA       SER   2  -7.405   5.473  13.586
    7   1HB   SER   2          1HB       SER   2  -7.717   2.678  14.710
    8   2HB   SER   2          2HB       SER   2  -6.436   3.114  13.583
    9    HG   SER   2           HG       SER   2  -6.159   3.302  16.042
   10    H    PHE   3           H        PHE   3  -7.018   4.496  11.402
   11    HA   PHE   3           HA       PHE   3  -7.832   3.876   9.270
   12   1HB   PHE   3          1HB       PHE   3  -9.194   2.029  11.233
   13   2HB   PHE   3          2HB       PHE   3  -9.462   1.868   9.498
   14    HD1  PHE   3           HD1      PHE   3  -7.620   1.256   7.984
   15    HD2  PHE   3           HD2      PHE   3  -7.037   1.518  12.232
   16    HE1  PHE   3           HE1      PHE   3  -5.474   0.032   7.765
   17    HE2  PHE   3           HE2      PHE   3  -4.891   0.294  12.012
   18    HZ   PHE   3           HZ       PHE   3  -4.109  -0.449   9.779
   19    H    TRP   4           H        TRP   4  -9.371   5.908  11.068
   20    HA   TRP   4           HA       TRP   4 -12.149   5.793  10.657
   21   1HB   TRP   4          1HB       TRP   4 -12.001   8.251  10.888
   22   2HB   TRP   4          2HB       TRP   4 -10.908   7.450  12.016
   23    HD1  TRP   4           HD1      TRP   4  -8.302   7.566  11.516
   24    HE1  TRP   4           HE1      TRP   4  -6.900   9.151  10.043
   25    HE3  TRP   4           HE3      TRP   4 -12.008   9.646   8.684
   26    HZ2  TRP   4           HZ2      TRP   4  -7.298  11.051   7.941
   27    HZ3  TRP   4           HZ3      TRP   4 -11.469  11.339   6.956
   28    HH2  TRP   4           HH2      TRP   4  -9.122  12.043   6.581
   29    H    ASN   5           H        ASN   5  -9.586   6.642   8.378
   30    HA   ASN   5           HA       ASN   5 -10.886   7.985   6.339
   31   1HB   ASN   5          1HB       ASN   5  -8.696   6.044   6.620
   32   2HB   ASN   5          2HB       ASN   5  -9.401   6.073   5.003
   33   1HD2  ASN   5          1HD2      ASN   5  -6.750   7.203   6.117
   34   2HD2  ASN   5          2HD2      ASN   5  -6.750   8.820   5.601
   35    HA   PRO   6           HA       PRO   6 -14.180   5.138   5.375
   36   1HB   PRO   6          1HB       PRO   6 -15.321   6.660   3.411
   37   2HB   PRO   6          2HB       PRO   6 -15.537   6.997   5.139
   38   1HG   PRO   6          1HG       PRO   6 -13.761   8.321   3.161
   39   2HG   PRO   6          2HG       PRO   6 -14.654   9.016   4.522
   40   1HD   PRO   6          1HD       PRO   6 -11.962   8.469   4.551
   41   2HD   PRO   6          2HD       PRO   6 -12.980   8.576   6.003
   42    H    ASN   7           H        ASN   7 -11.851   6.481   3.122
   43    HA   ASN   7           HA       ASN   7 -12.493   4.373   1.105
   44   1HB   ASN   7          1HB       ASN   7 -12.315   6.860   0.567
   45   2HB   ASN   7          2HB       ASN   7 -10.591   6.724   0.916
   46   1HD2  ASN   7          1HD2      ASN   7 -12.672   6.728  -1.650
   47   2HD2  ASN   7          2HD2      ASN   7 -11.816   5.729  -2.722
   48    H    ALA   8           H        ALA   8 -11.231   3.472   3.490
   49    HA   ALA   8           HA       ALA   8  -8.371   3.402   3.365
   50   1HB   ALA   8          1HB       ALA   8 -10.377   1.413   4.478
   51   2HB   ALA   8          2HB       ALA   8  -9.775   2.837   5.327
   52   3HB   ALA   8          3HB       ALA   8  -8.676   1.515   4.933
   53    H    PHE   9           H        PHE   9 -10.853   1.585   1.676
   54    HA   PHE   9           HA       PHE   9  -9.266  -0.664   0.855
   55   1HB   PHE   9          1HB       PHE   9 -11.852  -0.028   0.758
   56   2HB   PHE   9          2HB       PHE   9 -11.420   0.507  -0.865
   57    HD1  PHE   9           HD1      PHE   9 -10.190  -2.346   1.232
   58    HD2  PHE   9           HD2      PHE   9 -12.141  -1.114  -2.391
   59    HE1  PHE   9           HE1      PHE   9 -10.218  -4.699   0.446
   60    HE2  PHE   9           HE2      PHE   9 -12.170  -3.467  -3.176
   61    HZ   PHE   9           HZ       PHE   9 -11.209  -5.259  -1.757
   62    H    GLU  10           H        GLU  10  -7.511  -0.612  -0.489
   63    HA   GLU  10           HA       GLU  10  -7.527   0.968  -2.950
   64   1HB   GLU  10          1HB       GLU  10  -6.872   2.374  -0.762
   65   2HB   GLU  10          2HB       GLU  10  -5.294   1.656  -1.087
   66   1HG   GLU  10          1HG       GLU  10  -4.942   3.084  -2.787
   67   2HG   GLU  10          2HG       GLU  10  -6.454   2.597  -3.554
   68    H    THR  11           H        THR  11  -4.789   0.981  -3.466
   69    HA   THR  11           HA       THR  11  -4.258  -1.906  -3.797
   70    HB   THR  11           HB       THR  11  -2.445   0.309  -4.697
   71    HG1  THR  11           HG1      THR  11  -5.102  -0.145  -5.468
   72   1HG2  THR  11          1HG2      THR  11  -2.959  -1.333  -6.819
   73   2HG2  THR  11          2HG2      THR  11  -3.163  -2.448  -5.469
   74   3HG2  THR  11          3HG2      THR  11  -1.641  -1.580  -5.673
   75    H    ASP  12           H        ASP  12  -1.529  -2.060  -3.751
   76    HA   ASP  12           HA       ASP  12  -0.761  -2.559  -1.142
   77   1HB   ASP  12          1HB       ASP  12   0.413  -2.378  -3.692
   78   2HB   ASP  12          2HB       ASP  12   1.416  -1.365  -2.652
   79    H    SER  13           H        SER  13   0.570  -1.324   0.397
   80    HA   SER  13           HA       SER  13  -0.351   1.423   0.726
   81   1HB   SER  13          1HB       SER  13   0.605   1.183   2.858
   82   2HB   SER  13          2HB       SER  13   0.211  -0.481   2.439
   83    HG   SER  13           HG       SER  13   2.309  -0.515   3.077
   84    H    ASP  14           H        ASP  14   2.728  -0.142  -0.107
   85    HA   ASP  14           HA       ASP  14   3.666   2.072  -1.676
   86   1HB   ASP  14          1HB       ASP  14   5.390   2.879  -0.040
   87   2HB   ASP  14          2HB       ASP  14   3.738   3.178   0.500
   88    H    LEU  15           H        LEU  15   3.696  -0.586  -2.274
   89    HA   LEU  15           HA       LEU  15   6.350  -1.719  -1.591
   90   1HB   LEU  15          1HB       LEU  15   3.818  -2.629  -2.943
   91   2HB   LEU  15          2HB       LEU  15   5.297  -3.570  -3.131
   92    HG   LEU  15           HG       LEU  15   4.032  -4.434  -1.232
   93   1HD1  LEU  15          1HD1      LEU  15   5.987  -4.779  -0.170
   94   2HD1  LEU  15          2HD1      LEU  15   5.985  -3.123   0.435
   95   3HD1  LEU  15          3HD1      LEU  15   6.700  -3.488  -1.135
   96   1HD2  LEU  15          1HD2      LEU  15   3.204  -3.108   0.505
   97   2HD2  LEU  15          2HD2      LEU  15   2.995  -2.036  -0.880
   98   3HD2  LEU  15          3HD2      LEU  15   4.367  -1.816   0.206
   99    HA   PRO  16           HA       PRO  16   8.305  -0.660  -5.373
  100   1HB   PRO  16          1HB       PRO  16   9.510  -2.997  -6.143
  101   2HB   PRO  16          2HB       PRO  16  10.088  -2.011  -4.784
  102   1HG   PRO  16          1HG       PRO  16   8.411  -4.477  -4.755
  103   2HG   PRO  16          2HG       PRO  16   9.740  -4.004  -3.683
  104   1HD   PRO  16          1HD       PRO  16   7.136  -3.773  -2.975
  105   2HD   PRO  16          2HD       PRO  16   8.396  -2.665  -2.386
  106    H    ALA  17           H        ALA  17   8.730  -2.208  -7.690
  107    HA   ALA  17           HA       ALA  17   5.949  -2.382  -8.733
  108   1HB   ALA  17          1HB       ALA  17   8.712  -1.955  -9.816
  109   2HB   ALA  17          2HB       ALA  17   7.245  -1.020 -10.104
  110   3HB   ALA  17          3HB       ALA  17   7.471  -2.574 -10.906
  111    H    GLY  18           H        GLY  18   5.041  -4.387  -8.854
  112   1HA   GLY  18          1HA       GLY  18   5.034  -6.624  -9.823
  113   2HA   GLY  18          2HA       GLY  18   6.780  -6.690  -9.596
  114    H    TRP  19           H        TRP  19   5.334  -5.305  -6.890
  115    HA   TRP  19           HA       TRP  19   5.316  -7.959  -5.491
  116   1HB   TRP  19          1HB       TRP  19   6.452  -5.257  -4.871
  117   2HB   TRP  19          2HB       TRP  19   5.926  -6.271  -3.529
  118    HD1  TRP  19           HD1      TRP  19   8.685  -5.838  -6.007
  119    HE1  TRP  19           HE1      TRP  19  10.438  -7.706  -5.713
  120    HE3  TRP  19           HE3      TRP  19   6.143  -8.946  -2.848
  121    HZ2  TRP  19           HZ2      TRP  19  10.722 -10.191  -4.324
  122    HZ3  TRP  19           HZ3      TRP  19   7.178 -11.056  -2.059
  123    HH2  TRP  19           HH2      TRP  19   9.463 -11.681  -2.791
  124    H    MET  20           H        MET  20   3.444  -8.424  -4.379
  125    HA   MET  20           HA       MET  20   1.421  -6.226  -4.090
  126   1HB   MET  20          1HB       MET  20   0.976  -9.200  -4.463
  127   2HB   MET  20          2HB       MET  20  -0.237  -7.926  -4.573
  128   1HG   MET  20          1HG       MET  20   2.103  -8.386  -6.441
  129   2HG   MET  20          2HG       MET  20   0.387  -8.531  -6.826
  130   1HE   MET  20          1HE       MET  20  -0.967  -5.140  -7.307
  131   2HE   MET  20          2HE       MET  20  -1.244  -6.292  -6.004
  132   3HE   MET  20          3HE       MET  20  -1.023  -6.874  -7.652
  133    H    ARG  21           H        ARG  21  -0.159  -6.655  -2.297
  134    HA   ARG  21           HA       ARG  21   1.134  -8.060   0.020
  135   1HB   ARG  21          1HB       ARG  21   1.150  -5.576   0.132
  136   2HB   ARG  21          2HB       ARG  21  -0.604  -5.567  -0.053
  137   1HG   ARG  21          1HG       ARG  21  -0.736  -7.011   2.021
  138   2HG   ARG  21          2HG       ARG  21   0.992  -6.728   2.245
  139   1HD   ARG  21          1HD       ARG  21   0.638  -4.630   3.048
  140   2HD   ARG  21          2HD       ARG  21  -0.521  -4.253   1.758
  141    HE   ARG  21           HE       ARG  21  -1.598  -6.179   3.645
  142   1HH1  ARG  21          1HH1      ARG  21  -3.125  -3.944   2.299
  143   2HH1  ARG  21          2HH1      ARG  21  -3.458  -2.896   3.638
  144   1HH2  ARG  21          1HH2      ARG  21  -1.092  -4.354   5.711
  145   2HH2  ARG  21          2HH2      ARG  21  -2.306  -3.127   5.568
  146    H    VAL  22           H        VAL  22  -0.078  -9.930   0.317
  147    HA   VAL  22           HA       VAL  22  -3.041  -9.742  -0.084
  148    HB   VAL  22           HB       VAL  22  -1.327 -12.222   0.092
  149   1HG1  VAL  22          1HG1      VAL  22  -3.377 -12.636  -1.698
  150   2HG1  VAL  22          2HG1      VAL  22  -4.129 -11.571  -0.510
  151   3HG1  VAL  22          3HG1      VAL  22  -3.414 -13.100   0.004
  152   1HG2  VAL  22          1HG2      VAL  22  -1.470 -10.181  -2.018
  153   2HG2  VAL  22          2HG2      VAL  22  -1.847 -11.804  -2.594
  154   3HG2  VAL  22          3HG2      VAL  22  -0.305 -11.487  -1.800
  155    H    GLN  23           H        GLN  23  -4.371 -10.993   1.442
  156    HA   GLN  23           HA       GLN  23  -3.142 -11.181   4.173
  157   1HB   GLN  23          1HB       GLN  23  -5.227  -9.570   3.149
  158   2HB   GLN  23          2HB       GLN  23  -6.010 -10.799   4.143
  159   1HG   GLN  23          1HG       GLN  23  -4.714 -10.209   6.063
  160   2HG   GLN  23          2HG       GLN  23  -3.617  -9.216   5.101
  161   1HE2  GLN  23          1HE2      GLN  23  -4.021  -7.070   5.679
  162   2HE2  GLN  23          2HE2      GLN  23  -5.565  -6.376   5.802
  163    H    ASP  24           H        ASP  24  -2.733 -13.504   3.692
  164    HA   ASP  24           HA       ASP  24  -5.008 -15.262   3.122
  165   1HB   ASP  24          1HB       ASP  24  -2.190 -15.310   2.986
  166   2HB   ASP  24          2HB       ASP  24  -2.648 -16.564   4.136
  167    H    THR  25           H        THR  25  -5.430 -17.147   4.655
  168    HA   THR  25           HA       THR  25  -6.354 -16.305   7.179
  169    HB   THR  25           HB       THR  25  -6.579 -18.707   7.595
  170    HG1  THR  25           HG1      THR  25  -5.552 -20.057   5.877
  171   1HG2  THR  25          1HG2      THR  25  -8.082 -19.033   5.915
  172   2HG2  THR  25          2HG2      THR  25  -6.886 -18.727   4.655
  173   3HG2  THR  25          3HG2      THR  25  -7.662 -17.376   5.479
  174    H    SER  26           H        SER  26  -3.193 -17.631   6.256
  175    HA   SER  26           HA       SER  26  -2.172 -17.996   8.923
  176   1HB   SER  26          1HB       SER  26  -1.239 -17.985   6.128
  177   2HB   SER  26          2HB       SER  26  -0.002 -17.523   7.295
  178    HG   SER  26           HG       SER  26  -0.842 -19.466   8.486
  179    H    GLY  27           H        GLY  27  -2.271 -15.237   6.717
  180   1HA   GLY  27          1HA       GLY  27  -2.216 -13.181   8.526
  181   2HA   GLY  27          2HA       GLY  27  -0.508 -13.610   8.395
  182    H    THR  28           H        THR  28  -0.422 -11.323   7.508
  183    HA   THR  28           HA       THR  28  -1.354 -11.123   4.680
  184    HB   THR  28           HB       THR  28  -0.124  -9.041   6.511
  185    HG1  THR  28           HG1      THR  28  -1.966  -9.014   7.480
  186   1HG2  THR  28          1HG2      THR  28  -0.404  -7.610   4.797
  187   2HG2  THR  28          2HG2      THR  28  -2.061  -8.155   4.539
  188   3HG2  THR  28          3HG2      THR  28  -0.723  -9.013   3.776
  189    H    TYR  29           H        TYR  29   0.165 -11.869   3.232
  190    HA   TYR  29           HA       TYR  29   3.054 -11.351   3.852
  191   1HB   TYR  29          1HB       TYR  29   3.488 -13.352   2.558
  192   2HB   TYR  29          2HB       TYR  29   2.206 -13.720   3.708
  193    HD1  TYR  29           HD1      TYR  29   3.046 -13.197   0.174
  194    HD2  TYR  29           HD2      TYR  29  -0.129 -13.955   2.967
  195    HE1  TYR  29           HE1      TYR  29   1.555 -13.840  -1.698
  196    HE2  TYR  29           HE2      TYR  29  -1.621 -14.598   1.093
  197    HH   TYR  29           HH       TYR  29  -0.603 -14.242  -2.273
  198    H    TYR  30           H        TYR  30   3.956 -11.939   1.218
  199    HA   TYR  30           HA       TYR  30   2.758  -9.706  -0.387
  200   1HB   TYR  30          1HB       TYR  30   5.637 -10.383   0.265
  201   2HB   TYR  30          2HB       TYR  30   5.198  -9.281  -1.039
  202    HD1  TYR  30           HD1      TYR  30   4.501  -9.886   2.601
  203    HD2  TYR  30           HD2      TYR  30   4.922  -7.013  -0.565
  204    HE1  TYR  30           HE1      TYR  30   4.231  -8.040   4.237
  205    HE2  TYR  30           HE2      TYR  30   4.651  -5.169   1.072
  206    HH   TYR  30           HH       TYR  30   3.344  -5.397   3.895
  207    H    TRP  31           H        TRP  31   2.394 -10.249  -2.528
  208    HA   TRP  31           HA       TRP  31   3.307 -12.950  -3.424
  209   1HB   TRP  31          1HB       TRP  31   0.937 -12.691  -3.444
  210   2HB   TRP  31          2HB       TRP  31   1.044 -11.086  -4.162
  211    HD1  TRP  31           HD1      TRP  31   3.295 -13.749  -5.579
  212    HE1  TRP  31           HE1      TRP  31   2.481 -14.403  -7.936
  213    HE3  TRP  31           HE3      TRP  31  -1.195 -11.317  -5.667
  214    HZ2  TRP  31           HZ2      TRP  31   0.226 -13.953  -9.635
  215    HZ3  TRP  31           HZ3      TRP  31  -2.655 -11.449  -7.666
  216    HH2  TRP  31           HH2      TRP  31  -1.952 -12.763  -9.647
  217    H    HIS  32           H        HIS  32   4.975 -12.962  -4.851
  218    HA   HIS  32           HA       HIS  32   5.844 -10.508  -6.207
  219   1HB   HIS  32          1HB       HIS  32   7.128 -12.595  -5.119
  220   2HB   HIS  32          2HB       HIS  32   7.003 -13.213  -6.764
  221    HD1  HIS  32           HD1      HIS  32   9.788 -12.715  -6.166
  222    HD2  HIS  32           HD2      HIS  32   7.324  -9.533  -7.249
  223    HE1  HIS  32           HE1      HIS  32  11.318 -10.869  -6.982
  224    H    ILE  33           H        ILE  33   4.586  -9.951  -7.945
  225    HA   ILE  33           HA       ILE  33   3.105 -11.762  -9.597
  226    HB   ILE  33           HB       ILE  33   4.093  -8.936 -10.088
  227   1HG1  ILE  33          1HG1      ILE  33   1.564  -9.992  -8.775
  228   2HG1  ILE  33          2HG1      ILE  33   2.884  -9.158  -7.956
  229   1HG2  ILE  33          1HG2      ILE  33   2.085 -10.724 -11.421
  230   2HG2  ILE  33          2HG2      ILE  33   3.216  -9.580 -12.144
  231   3HG2  ILE  33          3HG2      ILE  33   1.761  -8.993 -11.339
  232   1HD1  ILE  33          1HD1      ILE  33   1.463  -7.878 -10.283
  233   2HD1  ILE  33          2HD1      ILE  33   2.404  -7.107  -9.006
  234   3HD1  ILE  33          3HD1      ILE  33   0.806  -7.764  -8.650
  235    HA   PRO  34           HA       PRO  34   6.669 -11.131 -12.745
  236   1HB   PRO  34          1HB       PRO  34   9.151 -10.564 -11.745
  237   2HB   PRO  34          2HB       PRO  34   7.990  -9.315 -12.236
  238   1HG   PRO  34          1HG       PRO  34   8.693 -10.282  -9.521
  239   2HG   PRO  34          2HG       PRO  34   8.276  -8.653 -10.069
  240   1HD   PRO  34          1HD       PRO  34   6.563 -10.335  -8.745
  241   2HD   PRO  34          2HD       PRO  34   6.040  -9.003  -9.797
  242    H    THR  35           H        THR  35   8.300 -12.206  -9.715
  243    HA   THR  35           HA       THR  35   9.270 -14.628 -11.092
  244    HB   THR  35           HB       THR  35  10.584 -14.891  -9.117
  245    HG1  THR  35           HG1      THR  35   8.581 -13.275  -7.956
  246   1HG2  THR  35          1HG2      THR  35  11.718 -12.848  -9.023
  247   2HG2  THR  35          2HG2      THR  35  10.231 -11.907  -9.133
  248   3HG2  THR  35          3HG2      THR  35  10.863 -12.726 -10.560
  249    H    GLY  36           H        GLY  36   6.866 -13.767  -8.634
  250   1HA   GLY  36          1HA       GLY  36   4.847 -15.075  -8.309
  251   2HA   GLY  36          2HA       GLY  36   5.699 -16.486  -8.936
  252    H    THR  37           H        THR  37   7.977 -15.257  -7.062
  253    HA   THR  37           HA       THR  37   7.727 -17.175  -4.960
  254    HB   THR  37           HB       THR  37   9.235 -14.590  -4.704
  255    HG1  THR  37           HG1      THR  37  10.183 -16.705  -6.290
  256   1HG2  THR  37          1HG2      THR  37  10.446 -17.281  -4.375
  257   2HG2  THR  37          2HG2      THR  37   9.228 -16.804  -3.192
  258   3HG2  THR  37          3HG2      THR  37  10.672 -15.818  -3.417
  259    H    THR  38           H        THR  38   7.293 -16.761  -2.678
  260    HA   THR  38           HA       THR  38   5.530 -14.373  -2.207
  261    HB   THR  38           HB       THR  38   4.988 -16.497  -0.374
  262    HG1  THR  38           HG1      THR  38   5.080 -18.226  -1.545
  263   1HG2  THR  38          1HG2      THR  38   3.542 -14.654  -1.580
  264   2HG2  THR  38          2HG2      THR  38   2.804 -16.185  -1.109
  265   3HG2  THR  38          3HG2      THR  38   3.297 -15.921  -2.782
  266    H    GLN  39           H        GLN  39   5.611 -13.562   0.055
  267    HA   GLN  39           HA       GLN  39   7.982 -14.448   1.634
  268   1HB   GLN  39          1HB       GLN  39   7.401 -11.606   0.737
  269   2HB   GLN  39          2HB       GLN  39   8.764 -12.114   1.735
  270   1HG   GLN  39          1HG       GLN  39   9.257 -13.757  -0.248
  271   2HG   GLN  39          2HG       GLN  39   8.256 -12.641  -1.179
  272   1HE2  GLN  39          1HE2      GLN  39  11.420 -13.229  -0.598
  273   2HE2  GLN  39          2HE2      GLN  39  12.042 -11.650  -0.651
  274    H    TRP  40           H        TRP  40   7.522 -11.749   3.093
  275    HA   TRP  40           HA       TRP  40   4.867 -12.102   4.323
  276   1HB   TRP  40          1HB       TRP  40   6.455 -13.836   5.284
  277   2HB   TRP  40          2HB       TRP  40   7.409 -12.502   5.925
  278    HD1  TRP  40           HD1      TRP  40   6.524 -11.231   7.998
  279    HE1  TRP  40           HE1      TRP  40   4.537 -11.595   9.602
  280    HE3  TRP  40           HE3      TRP  40   3.904 -14.738   5.371
  281    HZ2  TRP  40           HZ2      TRP  40   2.150 -13.166   9.747
  282    HZ3  TRP  40           HZ3      TRP  40   1.778 -15.648   6.262
  283    HH2  TRP  40           HH2      TRP  40   0.900 -14.869   8.445
  284    H    GLU  41           H        GLU  41   8.108 -10.696   4.764
  285    HA   GLU  41           HA       GLU  41   6.947  -8.222   5.913
  286   1HB   GLU  41          1HB       GLU  41   9.830  -8.968   5.334
  287   2HB   GLU  41          2HB       GLU  41   9.253  -7.754   6.477
  288   1HG   GLU  41          1HG       GLU  41   8.103  -9.573   7.754
  289   2HG   GLU  41          2HG       GLU  41   8.838 -10.751   6.666
  290    HA   PRO  42           HA       PRO  42   7.264  -5.860   2.227
  291   1HB   PRO  42          1HB       PRO  42   8.268  -3.473   3.125
  292   2HB   PRO  42          2HB       PRO  42   6.603  -4.004   3.440
  293   1HG   PRO  42          1HG       PRO  42   8.986  -4.090   5.223
  294   2HG   PRO  42          2HG       PRO  42   7.300  -3.709   5.609
  295   1HD   PRO  42          1HD       PRO  42   8.450  -6.120   6.138
  296   2HD   PRO  42          2HD       PRO  42   6.713  -5.914   5.821
  297    HA   PRO  43           HA       PRO  43  11.531  -6.655   1.134
  298   1HB   PRO  43          1HB       PRO  43  11.190  -6.346  -1.564
  299   2HB   PRO  43          2HB       PRO  43  10.719  -7.820  -0.693
  300   1HG   PRO  43          1HG       PRO  43   9.033  -5.557  -1.634
  301   2HG   PRO  43          2HG       PRO  43   8.684  -7.293  -1.610
  302   1HD   PRO  43          1HD       PRO  43   7.702  -5.527   0.227
  303   2HD   PRO  43          2HD       PRO  43   7.971  -7.251   0.561
  304    H    GLY  44           H        GLY  44  12.387  -4.684   2.048
  305   1HA   GLY  44          1HA       GLY  44  13.796  -2.882   0.753
  306   2HA   GLY  44          2HA       GLY  44  12.200  -2.249   0.345
  307    H    ARG  45           H        ARG  45  14.024  -0.698   1.800
  308    HA   ARG  45           HA       ARG  45  13.336  -0.894   4.662
  309   1HB   ARG  45          1HB       ARG  45  15.305   0.368   2.923
  310   2HB   ARG  45          2HB       ARG  45  14.689   1.498   4.128
  311   1HG   ARG  45          1HG       ARG  45  15.058  -0.475   5.803
  312   2HG   ARG  45          2HG       ARG  45  16.125  -1.111   4.551
  313   1HD   ARG  45          1HD       ARG  45  17.706   0.515   4.899
  314   2HD   ARG  45          2HD       ARG  45  16.488   1.768   5.210
  315    HE   ARG  45           HE       ARG  45  16.181   0.774   7.472
  316   1HH1  ARG  45          1HH1      ARG  45  17.433  -1.890   6.978
  317   2HH1  ARG  45          2HH1      ARG  45  18.988  -1.711   7.718
  318   1HH2  ARG  45          1HH2      ARG  45  18.826   1.751   7.837
  319   2HH2  ARG  45          2HH2      ARG  45  19.777   0.351   8.207
  320    H    ALA  46           H        ALA  46  13.467   2.127   2.854
  321    HA   ALA  46           HA       ALA  46  10.557   2.578   3.143
  322   1HB   ALA  46          1HB       ALA  46  11.253   4.771   4.404
  323   2HB   ALA  46          2HB       ALA  46  12.738   3.886   4.748
  324   3HB   ALA  46          3HB       ALA  46  11.187   3.255   5.301
  325    H    SER  47           H        SER  47  13.615   4.342   2.600
  326    HA   SER  47           HA       SER  47  12.892   4.997  -0.153
  327   1HB   SER  47          1HB       SER  47  13.077   7.562   0.806
  328   2HB   SER  47          2HB       SER  47  11.557   6.724   0.510
  329    HG   SER  47           HG       SER  47  13.012   6.641   2.949
  330    HA   PRO  48           HA       PRO  48  17.260   5.487  -0.249
  331   1HB   PRO  48          1HB       PRO  48  17.516   6.964  -2.538
  332   2HB   PRO  48          2HB       PRO  48  17.105   5.238  -2.543
  333   1HG   PRO  48          1HG       PRO  48  15.335   7.605  -2.878
  334   2HG   PRO  48          2HG       PRO  48  15.284   6.033  -3.689
  335   1HD   PRO  48          1HD       PRO  48  13.619   6.735  -1.640
  336   2HD   PRO  48          2HD       PRO  48  14.082   5.059  -2.006
  337    H    SER  49           H        SER  49  17.324   6.902   1.676
  338    HA   SER  49           HA       SER  49  18.011   8.899   2.740
  339   1HB   SER  49          1HB       SER  49  19.166   8.779   0.190
  340   2HB   SER  49          2HB       SER  49  18.495  10.403   0.290
  341    HG   SER  49           HG       SER  49  20.680   9.408   1.463
  342    H    GLN  50           H        GLN  50  16.671  10.460   3.577
  343    HA   GLN  50           HA       GLN  50  14.242  11.217   2.072
  344   1HB   GLN  50          1HB       GLN  50  15.019  10.791   4.763
  345   2HB   GLN  50          2HB       GLN  50  14.597  12.500   4.639
  346   1HG   GLN  50          1HG       GLN  50  12.561  11.428   3.218
  347   2HG   GLN  50          2HG       GLN  50  12.876  10.099   4.334
  348   1HE2  GLN  50          1HE2      GLN  50  12.269  10.381   6.539
  349   2HE2  GLN  50          2HE2      GLN  50  11.537  11.794   7.131